A0A087XK01_POEFO Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A087XK01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 946 aa.

						>A0A087XK01_POEFO|A0A087XK01
MPGKSTLSKALAVAFAVLTVSAIGGMISMMIVFEIQTNNLTMTELPTVPSTTLAPPPVMRLPRSLIPERYEILLHPQFYSRIVEEVNVTTPNQTLFFNGSSTVYFRCHQATKHIFLHSFELSVSPPEVIDRDNNKKLSVLSHQQHDDESDFLEIEMEENLKTNGNYSLSLSFDGEISEYLQALYVSKYTETDLDFVNDTIQERFLVATNLEPTSARRLFPCFDEPDMKAVFQLTVIHRRGTEALSNTRQQRSSSIDEEWKYTQFFPTPKMSSYLLALTISEFKFTTSPENRVTIKTYARPEAIDAGHTRYAAEITAEILKFYEEHFDLQYGMEDLAQIALPDLEPLAMENWGLITYQEGALLYEEGVSSWLHKEVITTVIAHELAHQWFGNQVTMKWWNEIWLNEGFATYMSYLAVDHAEPKFQIKEKMIMDDLHAAFEEDALLTSHPLSAPPNDVQTTGEILGMFDAISYSKGAMVLRMLAEYVKDKAFDDGIREYLKTHRGGNADQEDLWVFIQNARNKESKPTVQEFMENWTTQIGYPVVTINTISGSINQKHFLYNSSAVSNLLWKIPITYTTNISEPNDFWLGERERDGMDELISKKGEWILVNINTTGYYRVNYNVENWDRLLWQLETNPSRIPLMNRAQLVDDAFNLARAKQVDVTLALKSTRFLRSETAYLPWESAIRNLEYFILMFDRSEVYGPMQLYLRHQVEELYNFFKNQTDYSTVPDDHSLQHNQITAIEVACSNGLPDCVEMATEKFAEWMDRNDTNTIHTNLRSVIYCQAVAAGDKKEWEFAWEKFLNSTDTSEKDQLRKALSCTKKTWLLNRYLSYTLDPDKIRLMDVTSTVNHIAQNAAGQALAWNFIRAHWDYVSQGDAASLVMGVTRRFSTPFELQELIRFRDNTEMNGAYRATLQAIEQTQVNIQWVQENHDAVLEWFERETANLE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	50.3	Low	240 Å²	240	127.4 Å²	127.4	100%	1.182	74%	0.738	S	S	*	*				0	129.9	0	-75.1	-178.9	176.1	0	0	108.1	G3	M1-G3 PolarHBondContact O-N 3.06Å
2	P	40.2	Very low	51.7	Low	129 Å²	129	120.8 Å²	120.8	84%	0.838	71%	0.709	S	S	*	*			trans	-83.1	104.3	178.8	32.1	-27.1	0	0	0	109	K4	P2-K4 PolarHBondContact O-N 3.07Å
3	G	35.2	Very low	53.3	Low	78 Å²	78	118.5 Å²	118.5	80%	0.804	70%	0.697	S	S	*	*			trans	-80.5	96.8	171.4	0	0	0	0	0	109.9	M1 S5	M1-G3 PolarHBondContact O-N 3.06Å; G3-S5 PolarHBondContact O-N 3.42Å; G3-S5 VanDerWaalsContact O-N 3.14Å
4	K	49.1	Very low	54.4	Low	197 Å²	197	113.1 Å²	113.1	86%	0.857	67%	0.673	S	S	*	*			trans	-61.7	108.8	167.9	-80	176.8	173.1	177.2	0	109.1	P2 T6	P2-K4 PolarHBondContact O-N 3.07Å; K4-T6 PolarHBondContact O-N 3.05Å
5	S	44	Very low	55.6	Low	108 Å²	108	114.5 Å²	114.5	76%	0.755	67%	0.667	S	S	*	*			trans	-73.8	100.7	162.5	164.7	0	0	0	0	108.4	G3 L7	G3-S5 PolarHBondContact O-N 3.42Å; G3-S5 VanDerWaalsContact O-N 3.14Å; S5-L7 PolarHBondContact O-N 2.92Å; S5-L7 VanDerWaalsContact O-N 3.17Å
6	T	51.2	Low	56.7	Low	126 Å²	126	110.7 Å²	110.7	77%	0.773	65%	0.654	S	S	*	*			trans	-74.6	94.9	165.8	46.2	0	0	0	0	108.3	K4 S8	K4-T6 PolarHBondContact O-N 3.05Å; T6-S8 PolarHBondContact O-N 2.78Å; T6-S8 VanDerWaalsContact O-N 3.11Å
7	L	48.8	Very low	58	Low	108 Å²	108	109.2 Å²	109.2	57%	0.565	65%	0.645	S	S	*	*			trans	-57.7	116.6	162.6	-153.4	80.7	0	0	0	106.8	S5 K9 L11 A12	S5-L7 PolarHBondContact O-N 2.92Å; S5-L7 VanDerWaalsContact O-N 3.17Å; L7-K9 PolarHBondContact O-N 3.41Å; L7-L11 HydrophobicContact CD1-CD2 3.93Å; L7-L11 HydrophobicContact CG-CD2 4.19Å; L7-A12 HydrophobicContact CD2-CB 4.36Å
8	S	64.7	Low	58.6	Low	71 Å²	71	109.4 Å²	109.4	50%	0.497	64%	0.643	S	S	.	*			trans	-52.1	129.8	178.4	167	0	0	0	0	109	T6 A10 L11 A12	T6-S8 PolarHBondContact O-N 2.78Å; T6-S8 VanDerWaalsContact O-N 3.11Å; S8-A10 PolarHBondContact O-N 2.8Å; S8-A10 WeakPolarHBondContact OG-CB 3.29Å; S8-A10 PolarHBondContact OG-N 2.87Å; S8-L11 WeakPolarHBondContact O-CB 3.26Å; S8-L11 PolarHBondContact O-N 2.79Å; S8-A12 PolarHBondContact O-N 3.47Å
9	K	59.1	Low	59.2	Low	186 Å²	186	107.4 Å²	107.4	81%	0.809	63%	0.632	S	S	*	*	H	α-helix	trans	-51.8	-27.6	175.4	-74.1	-179	176.5	-179.6	0	111.8	L7 V13	L7-K9 PolarHBondContact O-N 3.41Å; K9-V13 WeakPolarHBondContact O-CB 3.28Å; K9-V13 WeakPolarHBondContact O-CG2 3.43Å; K9-V13 PolarHBondContact O-N 3.07Å
10	A	61.2	Low	60	Low	69 Å²	69	107.2 Å²	107.2	57%	0.57	63%	0.631	S	S	*	*	H	α-helix	trans	-67.5	-36.5	174.9	0	0	0	0	0	113	S8 A14	S8-A10 PolarHBondContact O-N 2.8Å; S8-A10 WeakPolarHBondContact OG-CB 3.29Å; S8-A10 PolarHBondContact OG-N 2.87Å; A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 3.34Å
11	L	63.1	Low	60.6	Low	89 Å²	89	105.8 Å²	105.8	47%	0.466	63%	0.627	S	S	.	*	H	α-helix	trans	-74.2	-37.7	179.3	-155.8	81.5	0	0	0	111.5	L7 S8 V13 A14 F15	L7-L11 HydrophobicContact CD1-CD2 3.93Å; L7-L11 HydrophobicContact CG-CD2 4.19Å; S8-L11 WeakPolarHBondContact O-CB 3.26Å; S8-L11 PolarHBondContact O-N 2.79Å; L11-V13 VanDerWaalsContact C-N 3.35Å; L11-A14 PolarHBondContact O-N 2.68Å; L11-F15 PolarHBondContact O-N 3.39Å
12	A	67.2	Low	62.1	Low	48 Å²	48	97 Å²	97	40%	0.397	59%	0.592	S	S	.	*	H	α-helix	trans	-65.7	-38.3	173.6	0	0	0	0	0	111.9	L7 S8 A16	L7-A12 HydrophobicContact CD2-CB 4.36Å; S8-A12 PolarHBondContact O-N 3.47Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.27Å
13	V	72	Confident	63.9	Low	91 Å²	91	94.7 Å²	94.7	55%	0.552	57%	0.572	S	S	*	*	H	α-helix	trans	-68.5	-40.6	174.2	171.4	0	0	0	0	111	K9 L11 A16 V17	K9-V13 WeakPolarHBondContact O-CB 3.28Å; K9-V13 WeakPolarHBondContact O-CG2 3.43Å; K9-V13 PolarHBondContact O-N 3.07Å; L11-V13 VanDerWaalsContact C-N 3.35Å; V13-A16 PolarHBondContact O-N 2.93Å; V13-V17 HydrophobicContact CG1-CG2 4.35Å; V13-V17 WeakPolarHBondContact O-CB 3.44Å; V13-V17 VanDerWaalsContact O-CG2 3.26Å; V13-V17 WeakPolarHBondContact O-CG2 3.2Å; V13-V17 PolarHBondContact O-N 3.09Å
14	A	69.6	Low	65.9	Low	44 Å²	44	92.5 Å²	92.5	36%	0.364	55%	0.55	S	S	.	.	H	α-helix	trans	-62.6	-43	175.5	0	0	0	0	0	112.1	A10 L11 V17 L18	A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 3.34Å; L11-A14 PolarHBondContact O-N 2.68Å; A14-V17 PolarHBondContact O-N 3.11Å; A14-L18 WeakPolarHBondContact O-CB 3.48Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 3.39Å
15	F	72.1	Confident	67.1	Low	133 Å²	133	84.9 Å²	84.9	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-63.6	-44	173.6	-103.4	-85.3	0	0	0	111.8	L11 V17 L18 T19	L11-F15 PolarHBondContact O-N 3.39Å; F15-V17 VanDerWaalsContact C-N 3.33Å; F15-V17 PolarHBondContact O-N 2.82Å; F15-L18 PolarHBondContact O-N 3.33Å; F15-T19 WeakPolarHBondContact O-CB 3.49Å; F15-T19 PolarHBondContact O-N 2.8Å; F15-T19 PolarHBondContact O-OG1 3.33Å
16	A	73.5	Confident	68.2	Low	54 Å²	54	85.2 Å²	85.2	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-40	177.4	0	0	0	0	0	112.2	A12 V13 V20	A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.27Å; V13-A16 PolarHBondContact O-N 2.93Å; A16-V20 WeakPolarHBondContact O-CB 3.37Å; A16-V20 WeakPolarHBondContact O-CG2 3.34Å; A16-V20 PolarHBondContact O-N 2.96Å
17	V	78.7	Confident	69.3	Low	85 Å²	85	83.4 Å²	83.4	52%	0.515	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-44.7	176.2	172	0	0	0	0	110.9	V13 A14 F15 T19 V20 S21	V13-V17 HydrophobicContact CG1-CG2 4.35Å; V13-V17 WeakPolarHBondContact O-CB 3.44Å; V13-V17 VanDerWaalsContact O-CG2 3.26Å; V13-V17 WeakPolarHBondContact O-CG2 3.2Å; V13-V17 PolarHBondContact O-N 3.09Å; A14-V17 PolarHBondContact O-N 3.11Å; F15-V17 VanDerWaalsContact C-N 3.33Å; F15-V17 PolarHBondContact O-N 2.82Å; V17-T19 PolarHBondContact O-N 3.2Å; V17-V20 PolarHBondContact O-N 2.69Å; V17-S21 WeakPolarHBondContact O-CB 3.33Å; V17-S21 PolarHBondContact O-N 2.97Å; V17-S21 PolarHBondContact O-OG 2.71Å
18	L	68.3	Low	70.3	Confident	114 Å²	114	81.7 Å²	81.7	60%	0.597	50%	0.5	S	S	*	.	H	α-helix	trans	-62.7	-42	176.4	-80.7	163.6	0	0	0	112.1	A14 F15 S21 A22	A14-L18 WeakPolarHBondContact O-CB 3.48Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 3.39Å; F15-L18 PolarHBondContact O-N 3.33Å; L18-S21 PolarHBondContact O-N 2.86Å; L18-A22 VanDerWaalsContact O-CB 3.28Å; L18-A22 WeakPolarHBondContact O-CB 3.26Å; L18-A22 PolarHBondContact O-N 2.63Å
19	T	70.1	Confident	70.4	Confident	71 Å²	71	85.3 Å²	85.3	44%	0.436	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-40.1	177.2	-52.6	0	0	0	0	111.4	F15 V17 A22 I23	F15-T19 WeakPolarHBondContact O-CB 3.49Å; F15-T19 PolarHBondContact O-N 2.8Å; F15-T19 PolarHBondContact O-OG1 3.33Å; V17-T19 PolarHBondContact O-N 3.2Å; T19-A22 PolarHBondContact O-N 3.44Å; T19-I23 HydrophobicContact CG2-CD1 3.87Å; T19-I23 HydrophobicContact CG2-CG1 4.46Å; T19-I23 WeakPolarHBondContact O-CB 3.25Å; T19-I23 WeakPolarHBondContact O-CG1 2.92Å; T19-I23 PolarHBondContact O-N 3.29Å
20	V	75.7	Confident	70.7	Confident	103 Å²	103	82.7 Å²	82.7	62%	0.624	50%	0.503	S	S	*	.	H	α-helix	trans	-68.4	-37.4	175.9	171.2	0	0	0	0	111.4	A16 V17 G24	A16-V20 WeakPolarHBondContact O-CB 3.37Å; A16-V20 WeakPolarHBondContact O-CG2 3.34Å; A16-V20 PolarHBondContact O-N 2.96Å; V17-V20 PolarHBondContact O-N 2.69Å; V20-G24 PolarHBondContact O-N 2.85Å
21	S	72.6	Confident	71.1	Confident	78 Å²	78	83.4 Å²	83.4	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-39	173.2	-70.1	0	0	0	0	112.4	V17 L18 G24 G25	V17-S21 WeakPolarHBondContact O-CB 3.33Å; V17-S21 PolarHBondContact O-N 2.97Å; V17-S21 PolarHBondContact O-OG 2.71Å; L18-S21 PolarHBondContact O-N 2.86Å; S21-G24 PolarHBondContact O-N 2.8Å; S21-G25 PolarHBondContact O-N 2.76Å
22	A	68.3	Low	71.5	Confident	54 Å²	54	82.8 Å²	82.8	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-68.3	-42.1	176.1	0	0	0	0	0	111.9	L18 T19 G25 M26	L18-A22 VanDerWaalsContact O-CB 3.28Å; L18-A22 WeakPolarHBondContact O-CB 3.26Å; L18-A22 PolarHBondContact O-N 2.63Å; T19-A22 PolarHBondContact O-N 3.44Å; A22-G25 PolarHBondContact O-N 2.82Å; A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 3.21Å
23	I	76.9	Confident	71	Confident	81 Å²	81	87.2 Å²	87.2	42%	0.415	51%	0.507	S	S	.	.	H	α-helix	trans	-65.3	-41.1	173.3	-68.3	168.1	0	0	0	110.3	T19 G25 M26 I27	T19-I23 HydrophobicContact CG2-CD1 3.87Å; T19-I23 HydrophobicContact CG2-CG1 4.46Å; T19-I23 WeakPolarHBondContact O-CB 3.25Å; T19-I23 WeakPolarHBondContact O-CG1 2.92Å; T19-I23 PolarHBondContact O-N 3.29Å; I23-G25 VanDerWaalsContact C-N 3.34Å; I23-G25 PolarHBondContact O-N 3.16Å; I23-M26 HydrophobicContact CG1-CE 4.13Å; I23-M26 PolarHBondContact O-N 2.93Å; I23-I27 HydrophobicContact CG2-CD1 3.62Å; I23-I27 HydrophobicContact CG2-CG1 4.22Å; I23-I27 WeakPolarHBondContact O-CB 3.41Å; I23-I27 VanDerWaalsContact O-CG1 3.25Å; I23-I27 WeakPolarHBondContact O-CG1 3.4Å; I23-I27 PolarHBondContact O-N 2.9Å
24	G	78	Confident	70.3	Confident	32 Å²	32	88.3 Å²	88.3	33%	0.33	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-43.4	173.2	0	0	0	0	0	112.2	V20 S21 I27 S28	V20-G24 PolarHBondContact O-N 2.85Å; S21-G24 PolarHBondContact O-N 2.8Å; G24-I27 PolarHBondContact O-N 2.95Å; G24-S28 WeakPolarHBondContact O-CB 3.23Å; G24-S28 PolarHBondContact O-N 2.9Å; G24-S28 PolarHBondContact O-OG 3.46Å; G24-S28 VanDerWaalsContact O-OG 3.07Å
25	G	74.7	Confident	69.9	Low	38 Å²	38	91 Å²	91	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-44.5	174.2	0	0	0	0	0	113	S21 A22 I23 S28 M29	S21-G25 PolarHBondContact O-N 2.76Å; A22-G25 PolarHBondContact O-N 2.82Å; I23-G25 VanDerWaalsContact C-N 3.34Å; I23-G25 PolarHBondContact O-N 3.16Å; G25-S28 PolarHBondContact O-N 2.82Å; G25-M29 WeakPolarHBondContact O-CB 3.34Å; G25-M29 PolarHBondContact O-N 2.93Å
26	M	65.7	Low	69	Low	115 Å²	115	90.7 Å²	90.7	57%	0.567	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-40.8	176.4	-75.6	-173.1	-69.7	0	0	112.2	A22 I23 M29 M30	A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 3.21Å; I23-M26 HydrophobicContact CG1-CE 4.13Å; I23-M26 PolarHBondContact O-N 2.93Å; M26-M29 PolarHBondContact O-N 2.79Å; M26-M30 WeakPolarHBondContact O-CB 3.38Å; M26-M30 WeakPolarHBondContact O-CG 3.22Å; M26-M30 PolarHBondContact O-N 2.87Å
27	I	74.6	Confident	67.6	Low	87 Å²	87	90.8 Å²	90.8	45%	0.446	51%	0.509	S	S	.	.	H	α-helix	trans	-67.6	-40.7	175.7	-68.6	170.9	0	0	0	110.2	I23 G24 M29 M30 I31	I23-I27 HydrophobicContact CG2-CD1 3.62Å; I23-I27 HydrophobicContact CG2-CG1 4.22Å; I23-I27 WeakPolarHBondContact O-CB 3.41Å; I23-I27 VanDerWaalsContact O-CG1 3.25Å; I23-I27 WeakPolarHBondContact O-CG1 3.4Å; I23-I27 PolarHBondContact O-N 2.9Å; G24-I27 PolarHBondContact O-N 2.95Å; I27-M29 VanDerWaalsContact C-N 3.35Å; I27-M30 PolarHBondContact O-N 2.81Å; I27-I31 HydrophobicContact CG2-CD1 3.67Å; I27-I31 HydrophobicContact CG2-CG1 4.28Å; I27-I31 WeakPolarHBondContact O-CB 3.33Å; I27-I31 WeakPolarHBondContact O-CG1 3.44Å; I27-I31 PolarHBondContact O-N 2.92Å
28	S	70.8	Confident	65.9	Low	72 Å²	72	92.4 Å²	92.4	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-40.6	173.1	-69.2	0	0	0	0	111.9	G24 G25 I31 V32	G24-S28 WeakPolarHBondContact O-CB 3.23Å; G24-S28 PolarHBondContact O-N 2.9Å; G24-S28 PolarHBondContact O-OG 3.46Å; G24-S28 VanDerWaalsContact O-OG 3.07Å; G25-S28 PolarHBondContact O-N 2.82Å; S28-I31 PolarHBondContact O-N 2.61Å; S28-V32 WeakPolarHBondContact O-CB 3.44Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 2.82Å
29	M	65.3	Low	64.6	Low	147 Å²	147	92.6 Å²	92.6	72%	0.724	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-43	173.3	-107.6	-167.1	170.7	0	0	112.1	G25 M26 I27 V32 F33	G25-M29 WeakPolarHBondContact O-CB 3.34Å; G25-M29 PolarHBondContact O-N 2.93Å; M26-M29 PolarHBondContact O-N 2.79Å; I27-M29 VanDerWaalsContact C-N 3.35Å; M29-V32 PolarHBondContact O-N 3.4Å; M29-F33 WeakPolarHBondContact O-CB 3.48Å; M29-F33 PolarHBondContact O-N 3.24Å
30	M	65.9	Low	63	Low	132 Å²	132	96 Å²	96	65%	0.65	53%	0.531	S	S	*	.	H	α-helix	trans	-64.4	-40.1	176.1	-75.6	-178.4	80.6	0	0	111.3	M26 I27 F33 E34	M26-M30 WeakPolarHBondContact O-CB 3.38Å; M26-M30 WeakPolarHBondContact O-CG 3.22Å; M26-M30 PolarHBondContact O-N 2.87Å; I27-M30 PolarHBondContact O-N 2.81Å; M30-F33 PolarHBondContact O-N 2.85Å; M30-E34 WeakPolarHBondContact O-CB 2.81Å; M30-E34 PolarHBondContact O-N 2.95Å
31	I	70.7	Confident	61	Low	83 Å²	83	96.1 Å²	96.1	43%	0.426	53%	0.532	S	S	.	.	H	α-helix	trans	-67	-41.2	175	-69.5	168.1	0	0	0	110.7	I27 S28 E34 I35	I27-I31 HydrophobicContact CG2-CD1 3.67Å; I27-I31 HydrophobicContact CG2-CG1 4.28Å; I27-I31 WeakPolarHBondContact O-CB 3.33Å; I27-I31 WeakPolarHBondContact O-CG1 3.44Å; I27-I31 PolarHBondContact O-N 2.92Å; S28-I31 PolarHBondContact O-N 2.61Å; I31-E34 PolarHBondContact O-N 3.3Å; I31-I35 HydrophobicContact CG2-CD1 3.67Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 VanDerWaalsContact O-CB 3.28Å; I31-I35 WeakPolarHBondContact O-CB 3.47Å; I31-I35 WeakPolarHBondContact O-CD1 3.33Å; I31-I35 WeakPolarHBondContact O-CG1 3.17Å; I31-I35 PolarHBondContact O-N 3.43Å
32	V	70.3	Confident	59.6	Low	77 Å²	77	101.9 Å²	101.9	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-42.7	174.8	168.3	0	0	0	0	110.8	S28 M29 I35 Q36	S28-V32 WeakPolarHBondContact O-CB 3.44Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 2.82Å; M29-V32 PolarHBondContact O-N 3.4Å; V32-I35 PolarHBondContact O-N 2.64Å; V32-Q36 WeakPolarHBondContact O-CB 3.34Å; V32-Q36 VanDerWaalsContact O-CG 3.29Å; V32-Q36 WeakPolarHBondContact O-CG 3.47Å; V32-Q36 PolarHBondContact O-N 3.31Å
33	F	56.9	Low	57.8	Low	140 Å²	140	104.4 Å²	104.4	61%	0.614	56%	0.563	S	S	*	*	H	α-helix	trans	-66.5	-39.6	177.3	-171.6	-100.4	0	0	0	111.5	M29 M30 Q36 T37	M29-F33 WeakPolarHBondContact O-CB 3.48Å; M29-F33 PolarHBondContact O-N 3.24Å; M30-F33 PolarHBondContact O-N 2.85Å; F33-Q36 CarbonylContact O-C 3.6Å; F33-Q36 PolarHBondContact O-N 3.25Å; F33-T37 HydrophobicContact CD1-CG2 4.14Å; F33-T37 HydrophobicContact CE1-CG2 3.83Å; F33-T37 HydrophobicContact CZ-CG2 4.03Å; F33-T37 WeakPolarHBondContact O-CB 3.37Å; F33-T37 WeakPolarHBondContact O-CG2 3.48Å; F33-T37 PolarHBondContact O-N 2.8Å; F33-T37 PolarHBondContact O-OG1 3.41Å
34	E	57.1	Low	55.8	Low	114 Å²	114	109.3 Å²	109.3	53%	0.533	58%	0.584	S	S	.	*	H	α-helix	trans	-73.4	-30.2	177.3	-164.5	171.1	-155.2	0	0	112.1	M30 I31 T37 N38	M30-E34 WeakPolarHBondContact O-CB 2.81Å; M30-E34 PolarHBondContact O-N 2.95Å; I31-E34 PolarHBondContact O-N 3.3Å; E34-T37 WeakPolarHBondContact CA-OG1 3.19Å; E34-T37 PolarHBondContact O-OG1 2.85Å; E34-N38 WeakPolarHBondContact O-CB 3.34Å; E34-N38 PolarHBondContact O-N 2.84Å; E34-N38 PolarHBondContact O-ND2 3.17Å; E34-N38 VanDerWaalsContact O-ND2 3.11Å
35	I	60.8	Low	53.8	Low	101 Å²	101	115.5 Å²	115.5	52%	0.518	61%	0.609	S	S	.	*	H	α-helix	trans	-70.5	-36.9	167.8	-71.3	166.4	0	0	0	110.7	I31 V32 N39	I31-I35 HydrophobicContact CG2-CD1 3.67Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 VanDerWaalsContact O-CB 3.28Å; I31-I35 WeakPolarHBondContact O-CB 3.47Å; I31-I35 WeakPolarHBondContact O-CD1 3.33Å; I31-I35 WeakPolarHBondContact O-CG1 3.17Å; I31-I35 PolarHBondContact O-N 3.43Å; V32-I35 PolarHBondContact O-N 2.64Å; I35-N39 PolarHBondContact O-ND2 3.06Å
36	Q	53.9	Low	51.7	Low	127 Å²	127	118.5 Å²	118.5	59%	0.593	62%	0.621	S	S	*	*	H	α-helix	trans	-71	-37.6	175.4	-78.4	178	-23	0	0	112.1	V32 F33	V32-Q36 WeakPolarHBondContact O-CB 3.34Å; V32-Q36 VanDerWaalsContact O-CG 3.29Å; V32-Q36 WeakPolarHBondContact O-CG 3.47Å; V32-Q36 PolarHBondContact O-N 3.31Å; F33-Q36 CarbonylContact O-C 3.6Å; F33-Q36 PolarHBondContact O-N 3.25Å
37	T	43.9	Very low	50.4	Low	55 Å²	55	119.7 Å²	119.7	34%	0.337	64%	0.635	S	S	.	*	H	α-helix	trans	-82.9	-32.2	-179.7	53.1	0	0	0	0	113.4	F33 E34 N39 L40	F33-T37 HydrophobicContact CD1-CG2 4.14Å; F33-T37 HydrophobicContact CE1-CG2 3.83Å; F33-T37 HydrophobicContact CZ-CG2 4.03Å; F33-T37 WeakPolarHBondContact O-CB 3.37Å; F33-T37 WeakPolarHBondContact O-CG2 3.48Å; F33-T37 PolarHBondContact O-N 2.8Å; F33-T37 PolarHBondContact O-OG1 3.41Å; E34-T37 WeakPolarHBondContact CA-OG1 3.19Å; E34-T37 PolarHBondContact O-OG1 2.85Å; T37-N39 PolarHBondContact O-N 3.06Å; T37-L40 WeakPolarHBondContact O-CB 3.41Å; T37-L40 PolarHBondContact O-N 3.48Å; T37-L40 VanDerWaalsContact O-N 3.11Å
38	N	44.2	Very low	48.5	Very low	119 Å²	119	120.9 Å²	120.9	64%	0.636	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-8.1	173.6	-77.2	-42.3	0	0	0	114	E34	E34-N38 WeakPolarHBondContact O-CB 3.34Å; E34-N38 PolarHBondContact O-N 2.84Å; E34-N38 PolarHBondContact O-ND2 3.17Å; E34-N38 VanDerWaalsContact O-ND2 3.11Å
39	N	40.3	Very low	46.6	Very low	119 Å²	119	122 Å²	122	64%	0.636	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	4.4	167.4	-82.5	-19.9	0	0	0	113.3	I35 T37 T41	I35-N39 PolarHBondContact O-ND2 3.06Å; T37-N39 PolarHBondContact O-N 3.06Å; N39-T41 PolarHBondContact O-N 2.79Å; N39-T41 VanDerWaalsContact O-N 3.09Å
40	L	37	Very low	45.5	Very low	142 Å²	142	120.4 Å²	120.4	74%	0.743	66%	0.655	S	S	*	*			trans	-84.3	58	170.3	-67.7	164.3	0	0	0	110.8	T37	T37-L40 WeakPolarHBondContact O-CB 3.41Å; T37-L40 PolarHBondContact O-N 3.48Å; T37-L40 VanDerWaalsContact O-N 3.11Å
41	T	33.2	Very low	44	Very low	105 Å²	105	120.1 Å²	120.1	64%	0.644	66%	0.661	S	S	*	*	S	Bend	trans	-74.4	134.5	152.5	33.3	0	0	0	0	107.8	N39 T43	N39-T41 PolarHBondContact O-N 2.79Å; N39-T41 VanDerWaalsContact O-N 3.09Å; T41-T43 PolarHBondContact O-N 2.84Å; T41-T43 PolarHBondContact O-OG1 2.84Å
42	M	42.3	Very low	42.6	Very low	199 Å²	199	121.9 Å²	121.9	98%	0.98	68%	0.675	S	S	*	*			trans	-47.8	103.8	172.2	-79.3	-164.6	156.3	0	0	109.2
43	T	31.9	Very low	41.6	Very low	108 Å²	108	125.2 Å²	125.2	66%	0.663	69%	0.69	S	S	*	*			trans	-93	118	-179.5	-46	0	0	0	0	105	T41 L45	T41-T43 PolarHBondContact O-N 2.84Å; T41-T43 PolarHBondContact O-OG1 2.84Å; T43-L45 PolarHBondContact O-N 3.07Å
44	E	34.2	Very low	41	Very low	183 Å²	183	121.9 Å²	121.9	86%	0.855	69%	0.689	S	S	*	*			trans	-46.1	136.2	160.8	-74.6	-178.3	149.4	0	0	108.3	P46	E44-P46 VanDerWaalsContact O-N 3.1Å
45	L	35.3	Very low	40.8	Very low	163 Å²	163	121.8 Å²	121.8	85%	0.853	70%	0.698	S	S	*	*			trans	-31.5	116.9	177.8	-88.4	145.4	0	0	0	111.2	T43 T47	T43-L45 PolarHBondContact O-N 3.07Å; L45-T47 PolarHBondContact O-N 2.93Å
46	P	32	Very low	41.1	Very low	100 Å²	100	121.7 Å²	121.7	65%	0.649	70%	0.704	S	S	*	*			trans	-63.8	113.9	172.6	24.2	-28.4	0	0	0	106.9	E44 V48	E44-P46 VanDerWaalsContact O-N 3.1Å; P46-V48 VanDerWaalsContact C-N 3.3Å; P46-V48 PolarHBondContact O-N 3.28Å
47	T	38.4	Very low	42.4	Very low	140 Å²	140	116.9 Å²	116.9	86%	0.859	68%	0.683	S	S	*	*			trans	-56.3	100.5	163.2	-17.7	0	0	0	0	106.8	L45 P49	L45-T47 PolarHBondContact O-N 2.93Å; T47-P49 WeakPolarHBondContact O-CD 3.4Å
48	V	34	Very low	44.3	Very low	112 Å²	112	119.8 Å²	119.8	68%	0.679	70%	0.701	S	S	*	*			trans	-58.3	122.8	178.6	177.6	0	0	0	0	107.9	P46 S50	P46-V48 VanDerWaalsContact C-N 3.3Å; P46-V48 PolarHBondContact O-N 3.28Å; V48-S50 PolarHBondContact O-N 2.92Å
49	P	31.3	Very low	46.5	Very low	97 Å²	97	115.9 Å²	115.9	63%	0.63	68%	0.679	S	S	*	*			trans	-62.5	121.4	164	-11.4	25.9	0	0	0	107.4	T47 T51	T47-P49 WeakPolarHBondContact O-CD 3.4Å; P49-T51 PolarHBondContact O-N 2.97Å
50	S	40.9	Very low	49.1	Very low	113 Å²	113	113 Å²	113	79%	0.79	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	28.5	-174.7	-177	0	0	0	0	115.7	V48	V48-S50 PolarHBondContact O-N 2.92Å
51	T	36.3	Very low	51.8	Low	126 Å²	126	106.4 Å²	106.4	77%	0.773	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	0.8	-165.8	49.5	0	0	0	0	117.7	P49	P49-T51 PolarHBondContact O-N 2.97Å
52	T	40.4	Very low	54.7	Low	119 Å²	119	103.3 Å²	103.3	73%	0.73	61%	0.607	S	S	*	*			trans	-95.7	111.5	165.8	34.6	0	0	0	0	110.1	A54	T52-A54 PolarHBondContact O-N 2.86Å
53	L	48.6	Very low	57.2	Low	147 Å²	147	98.1 Å²	98.1	77%	0.77	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-58.2	131.5	172.6	-70.6	161.9	0	0	0	108.9
54	A	44.8	Very low	60.2	Low	71 Å²	71	93.5 Å²	93.5	59%	0.587	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-60.5	145.7	171.8	0	0	0	0	0	109.6	T52	T52-A54 PolarHBondContact O-N 2.86Å
55	P	53.1	Low	63.1	Low	111 Å²	111	84.9 Å²	84.9	72%	0.721	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-57.7	151.3	170.8	26	-32.9	0	0	0	110.1
56	P	67.7	Low	66	Low	100 Å²	100	79.3 Å²	79.3	65%	0.649	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-57	143.1	175.9	23.1	-31.6	0	0	0	110.3
57	P	81.7	Confident	69.2	Low	25 Å²	25	74.6 Å²	74.6	16%	0.162	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-60.6	148.3	174.7	29.2	-35	0	0	0	109.9	R60 P62 F115 F151	P57-R60 WeakPolarHBondContact CB-O 3.42Å; P57-P62 HydrophobicContact CB-CG 3.92Å; P57-P62 HydrophobicContact CG-CG 3.77Å; P57-F115 HydrophobicContact CG-CD1 3.8Å; P57-F115 HydrophobicContact CG-CD2 3.78Å; P57-F115 HydrophobicContact CG-CE1 3.87Å; P57-F115 HydrophobicContact CG-CE2 3.83Å; P57-F115 HydrophobicContact CG-CG 3.77Å; P57-F115 HydrophobicContact CG-CZ 3.89Å; P57-F151 HydrophobicContact CB-CE2 3.76Å; P57-F151 HydrophobicContact CB-CZ 4.15Å; P57-F151 HydrophobicContact CG-CD2 4.27Å; P57-F151 HydrophobicContact CG-CE2 3.74Å; P57-F151 HydrophobicContact CG-CZ 4.41Å
58	V	82.4	Confident	72	Confident	117 Å²	117	71.3 Å²	71.3	71%	0.709	42%	0.423	S	S	*	.	S	Bend	trans	-101.3	-62.1	176.5	-173.6	0	0	0	0	109.8	S149	V58-S149 VanDerWaalsContact O-CB 3.3Å; V58-S149 WeakPolarHBondContact O-CB 3.3Å
59	M	90.2	Very high	75.1	Confident	36 Å²	36	69.6 Å²	69.6	18%	0.177	40%	0.404	C	S	.	.	S	Bend	trans	-123.9	-15.9	179.8	-64.9	-59.8	-65.5	0	0	113.9	E148 Q457 T458	M59-E148 HydrophobicContact CE-CB 4.11Å; M59-E148 VanDerWaalsContact CE-O 3.32Å; M59-E148 WeakPolarHBondContact CE-O 2.82Å; M59-E148 HydrophobicContact SD-CB 4.32Å; M59-Q457 HydrophobicContact CB-CB 4.08Å; M59-Q457 HydrophobicContact CG-CB 4.15Å; M59-T458 HydrophobicContact CE-CG2 3.88Å
60	R	94.4	Very high	78.3	Confident	58 Å²	58	65.1 Å²	65.1	22%	0.219	38%	0.375	C	S	.	.	S	Bend	trans	-115.5	134.1	-175.1	-62.1	-61.9	-57.8	-85.7	1	110.9	P57 E224 W397 Q457	P57-R60 WeakPolarHBondContact CB-O 3.42Å; R60-E224 WeakPolarHBondContact CA-OE1 3.21Å; R60-E224 IonicContact CZ-OE2 3.39Å; R60-E224 IonicContact NE-OE1 3.82Å; R60-E224 PolarHBondContact NE-OE1 2.77Å; R60-E224 IonicContact NE-OE2 3.13Å; R60-E224 PolarHBondContact NE-OE2 3.14Å; R60-E224 VanDerWaalsContact NE-OE2 3.09Å; R60-E224 IonicContact NH2-OE2 2.85Å; R60-E224 PolarHBondContact NH2-OE2 3.19Å; R60-W397 VanDerWaalsContact NH1-CE2 3.32Å; R60-Q457 VanDerWaalsContact CG-OE1 3.23Å
61	L	95.7	Very high	81	Confident	4 Å²	4	63 Å²	63	2%	0.021	35%	0.353	C	S	.	.			trans	-62.5	136.3	178.7	-70.3	175.3	0	0	0	110.9	R63 F115 H117 F151 F222 E224 M227	L61-R63 PolarHBondContact O-N 2.94Å; L61-R63 PolarHBondContact O-NH1 3.42Å; L61-F115 HydrophobicContact CD2-CB 3.8Å; L61-H117 WeakPolarHBondContact CD1-ND1 3.44Å; L61-F151 HydrophobicContact CD2-CD1 3.87Å; L61-F151 HydrophobicContact CD2-CE1 3.47Å; L61-F151 VanDerWaalsContact CD2-CE1 3.47Å; L61-F151 HydrophobicContact CD2-CZ 4.17Å; L61-F151 HydrophobicContact CG-CE1 4.02Å; L61-F222 HydrophobicContact CD1-CB 4.15Å; L61-F222 HydrophobicContact CD1-CD1 3.94Å; L61-F222 HydrophobicContact CD1-CG 4.48Å; L61-E224 HydrophobicContact CD1-CG 4.22Å; L61-E224 PolarHBondContact N-OE1 2.93Å; L61-M227 HydrophobicContact CB-CE 3.8Å; L61-M227 HydrophobicContact CB-SD 4.05Å; L61-M227 HydrophobicContact CD1-SD 3.81Å
62	P	94.1	Very high	84	Confident	41 Å²	41	57.2 Å²	57.2	27%	0.266	32%	0.317	S	S	.	.			trans	-60.4	140	173.4	-22.4	33.7	0	0	0	111.3	P57 S64 F115	P57-P62 HydrophobicContact CB-CG 3.92Å; P57-P62 HydrophobicContact CG-CG 3.77Å; P62-S64 PolarHBondContact O-N 2.72Å; P62-S64 VanDerWaalsContact O-N 3.14Å; P62-F115 HydrophobicContact CG-CD2 3.98Å
63	R	93.7	Very high	86.8	Confident	89 Å²	89	54.4 Å²	54.4	34%	0.336	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	15.9	172.8	-57.4	-55.2	-173.4	-107.7	12.6	113.5	L61 L65 E224 D226	L61-R63 PolarHBondContact O-N 2.94Å; L61-R63 PolarHBondContact O-NH1 3.42Å; R63-L65 VanDerWaalsContact C-N 3.32Å; R63-E224 IonicContact CZ-OE2 3.86Å; R63-E224 VanDerWaalsContact CZ-OE2 3.22Å; R63-E224 IonicContact NH1-OE1 2.65Å; R63-E224 IonicContact NH1-OE2 3.31Å; R63-E224 PolarHBondContact NH1-OE2 2.83Å; R63-E224 IonicContact NH2-OE2 2.85Å; R63-E224 PolarHBondContact NH2-OE2 3.45Å; R63-D226 IonicContact CZ-OD1 3.99Å; R63-D226 IonicContact CZ-OD2 2.66Å; R63-D226 VanDerWaalsContact CZ-OD2 3.31Å; R63-D226 IonicContact NE-OD2 3.52Å; R63-D226 PolarHBondContact NE-OD2 3.31Å; R63-D226 VanDerWaalsContact NE-OD2 3.09Å; R63-D226 IonicContact NH2-OD1 2.83Å; R63-D226 PolarHBondContact NH2-OD1 3Å; R63-D226 IonicContact NH2-OD2 3.69Å; R63-D226 PolarHBondContact NH2-OD2 3.3Å
64	S	94.1	Very high	89.2	Confident	11 Å²	11	47.4 Å²	47.4	8%	0.077	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-28.9	177.9	56.1	0	0	0	0	112.2	P62 C107 H108 Q109	P62-S64 PolarHBondContact O-N 2.72Å; P62-S64 VanDerWaalsContact O-N 3.14Å; S64-C107 CarbonylContact O-C 3.54Å; S64-H108 PolarHBondContact O-N 2.94Å; S64-Q109 PolarHBondContact O-N 3.45Å
65	L	96.6	Very high	91.7	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.7	179.1	-52.8	-179.9	0	0	0	108.8	R63 F105 R106 C107 T111 I114 L160 F222	R63-L65 VanDerWaalsContact C-N 3.32Å; L65-F105 HydrophobicContact CB-CD2 4.09Å; L65-F105 HydrophobicContact CD1-CD2 4.33Å; L65-F105 HydrophobicContact CD1-CE2 3.97Å; L65-F105 HydrophobicContact CD2-CD2 4.03Å; L65-F105 HydrophobicContact CD2-CE2 3.9Å; L65-F105 HydrophobicContact CG-CD2 4.38Å; L65-F105 HydrophobicContact CG-CE2 4.36Å; L65-R106 WeakPolarHBondContact CA-O 3.33Å; L65-C107 HydrophobicContact CD2-CB 3.83Å; L65-T111 HydrophobicContact CD1-CG2 4.49Å; L65-T111 HydrophobicContact CD2-CG2 3.83Å; L65-T111 HydrophobicContact CG-CG2 4.24Å; L65-I114 HydrophobicContact CD1-CB 3.91Å; L65-I114 HydrophobicContact CD1-CG1 3.77Å; L65-I114 HydrophobicContact CD1-CG2 3.7Å; L65-L160 HydrophobicContact CD1-CD1 4.34Å; L65-L160 HydrophobicContact CD2-CD1 3.96Å; L65-F222 HydrophobicContact CB-CE1 4.08Å; L65-F222 HydrophobicContact CB-CZ 3.94Å; L65-F222 HydrophobicContact CD1-CZ 4.43Å
66	I	96.1	Very high	93.8	Very high	47 Å²	47	40.9 Å²	40.9	24%	0.241	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.8	-179.4	-57.7	-63.5	0	0	0	108.7	F105 R106 H108	I66-F105 VanDerWaalsContact O-CA 3.26Å; I66-F105 WeakPolarHBondContact O-CA 3.4Å; I66-F105 VanDerWaalsContact O-CB 3.27Å; I66-F105 WeakPolarHBondContact O-CB 3.17Å; I66-R106 PolarHBondContact N-O 2.88Å; I66-R106 PolarHBondContact O-N 3.36Å; I66-H108 WeakPolarHBondContact CG1-CD2 3.43Å
67	P	98	Very high	94.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.9	177.5	31.2	-36.8	0	0	0	111	Y70 V103 F222 M227 A229	P67-Y70 HydrophobicContact CB-CE2 3.93Å; P67-V103 HydrophobicContact CB-CG2 4.11Å; P67-F222 HydrophobicContact CB-CD2 3.73Å; P67-F222 HydrophobicContact CB-CE2 4.26Å; P67-F222 HydrophobicContact CB-CG 4.36Å; P67-F222 HydrophobicContact CG-CB 3.95Å; P67-F222 HydrophobicContact CG-CD2 3.92Å; P67-F222 HydrophobicContact CG-CG 4.03Å; P67-M227 HydrophobicContact CG-CB 3.99Å; P67-M227 VanDerWaalsContact CG-O 3.32Å; P67-M227 WeakPolarHBondContact CG-O 3.39Å; P67-A229 HydrophobicContact CB-CB 4.14Å; P67-A229 HydrophobicContact CG-CB 4.45Å
68	E	98.1	Very high	95.3	Very high	70 Å²	70	38.2 Å²	38.2	33%	0.327	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-40.9	175.8	-64.4	-172	149.1	0	0	111	Y104 R106 V230	E68-Y104 PolarHBondContact N-O 3.03Å; E68-R106 IonicContact OE1-CZ 2.78Å; E68-R106 IonicContact OE1-NH1 3.59Å; E68-R106 PolarHBondContact OE1-NH1 3.1Å; E68-R106 IonicContact OE1-NH2 3.62Å; E68-V230 PolarHBondContact O-N 2.93Å
69	R	98.6	Very high	95.6	Very high	77 Å²	77	37.5 Å²	37.5	29%	0.291	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	145.7	-176.2	178.7	-175	175.8	111.6	-3.2	111.9	E71 V103 Y104 V230	R69-E71 IonicContact CZ-OE1 2.71Å; R69-E71 IonicContact NE-OE1 2.88Å; R69-E71 PolarHBondContact NE-OE1 3.46Å; R69-E71 VanDerWaalsContact NE-OE1 3.16Å; R69-E71 IonicContact NH2-OE1 3.34Å; R69-E71 PolarHBondContact NH2-OE1 2.82Å; R69-V103 WeakPolarHBondContact O-CA 3.35Å; R69-Y104 HydrophobicContact CB-CD2 3.94Å; R69-Y104 HydrophobicContact CG-CD2 4.02Å; R69-Y104 PolarHBondContact N-O 3.01Å; R69-Y104 PolarHBondContact O-N 2.99Å; R69-V230 CarbonylContact C-O 3.51Å; R69-V230 WeakPolarHBondContact CA-O 3.32Å; R69-V230 HydrophobicContact CB-CB 4.42Å; R69-V230 HydrophobicContact CG-CB 4.39Å; R69-V230 HydrophobicContact CG-CG1 4.4Å
70	Y	98.8	Very high	95.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.7	168	-66.1	-95.2	0	0	0	110.6	P67 T102 V103 F219 C221 F222 A229 V230 F231 Q232	P67-Y70 HydrophobicContact CB-CE2 3.93Å; Y70-T102 WeakPolarHBondContact CA-O 3.43Å; Y70-V103 HydrophobicContact CD1-CB 3.62Å; Y70-V103 HydrophobicContact CD1-CG2 3.77Å; Y70-V103 HydrophobicContact CD2-CG2 4.5Å; Y70-V103 HydrophobicContact CE1-CB 3.49Å; Y70-V103 VanDerWaalsContact CE1-CB 3.49Å; Y70-V103 HydrophobicContact CE1-CG1 4.49Å; Y70-V103 HydrophobicContact CE1-CG2 3.37Å; Y70-V103 HydrophobicContact CE2-CG2 4.16Å; Y70-V103 HydrophobicContact CG-CB 4.47Å; Y70-V103 HydrophobicContact CG-CG2 4.34Å; Y70-F219 AromaticContact CD1-CE2 3.83Å; Y70-F219 HydrophobicContact CD1-CE2 3.83Å; Y70-F219 AromaticContact CE1-CE2 4Å; Y70-F219 HydrophobicContact CE1-CE2 4Å; Y70-F219 HydrophobicContact CG-CE2 4.34Å; Y70-C221 HydrophobicContact CE1-CB 3.93Å; Y70-F222 WeakPolarHBondContact OH-CB 3.4Å; Y70-F222 VanDerWaalsContact OH-CD2 3.3Å; Y70-F222 WeakPolarHBondContact OH-CD2 3.25Å; Y70-F222 PolarHBondContact OH-N 2.83Å; Y70-A229 HydrophobicContact CD2-CB 3.57Å; Y70-A229 HydrophobicContact CE2-CB 3.49Å; Y70-A229 VanDerWaalsContact CE2-CB 3.49Å; Y70-V230 PolarHBondContact N-O 2.81Å; Y70-F231 AromaticContact CD2-CD1 3.75Å; Y70-F231 HydrophobicContact CD2-CD1 3.75Å; Y70-F231 AromaticContact CD2-CE1 3.3Å; Y70-F231 HydrophobicContact CD2-CE1 3.3Å; Y70-F231 AromaticContact CD2-CZ 3.89Å; Y70-F231 HydrophobicContact CD2-CZ 3.89Å; Y70-F231 AromaticContact CE2-CE1 3.74Å; Y70-F231 HydrophobicContact CE2-CE1 3.74Å; Y70-F231 HydrophobicContact CE2-CZ 4.03Å; Y70-F231 AromaticContact CG-CD1 3.97Å; Y70-F231 HydrophobicContact CG-CD1 3.97Å; Y70-F231 AromaticContact CG-CE1 3.82Å; Y70-F231 HydrophobicContact CG-CE1 3.82Å; Y70-Q232 PolarHBondContact O-N 3.4Å
71	E	98.8	Very high	95.1	Very high	69 Å²	69	38 Å²	38	32%	0.322	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.5	164.3	-70.4	-178.3	-178.4	0	0	108	R69 S101 T102 Y104 Q232	R69-E71 IonicContact CZ-OE1 2.71Å; R69-E71 IonicContact NE-OE1 2.88Å; R69-E71 PolarHBondContact NE-OE1 3.46Å; R69-E71 VanDerWaalsContact NE-OE1 3.16Å; R69-E71 IonicContact NH2-OE1 3.34Å; R69-E71 PolarHBondContact NH2-OE1 2.82Å; E71-S101 CarbonylContact O-C 3.51Å; E71-S101 WeakPolarHBondContact O-CA 3.4Å; E71-T102 PolarHBondContact N-O 3.17Å; E71-T102 PolarHBondContact O-N 2.93Å; E71-Y104 HydrophobicContact CG-CE2 4Å; E71-Q232 HydrophobicContact CG-CB 4.41Å
72	I	98.8	Very high	94.1	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.6	-170.1	-54.9	168.8	0	0	0	108.8	L74 F219 F231 Q232 L233 T234 L275	I72-L74 HydrophobicContact CG2-CD2 4.18Å; I72-L74 HydrophobicContact CG2-CG 3.97Å; I72-F219 HydrophobicContact CD1-CD1 4.11Å; I72-F219 HydrophobicContact CD1-CD2 3.94Å; I72-F219 HydrophobicContact CD1-CE1 3.77Å; I72-F219 HydrophobicContact CD1-CE2 3.53Å; I72-F219 HydrophobicContact CD1-CG 4.22Å; I72-F219 HydrophobicContact CD1-CZ 3.46Å; I72-F219 VanDerWaalsContact CD1-CZ 3.46Å; I72-F219 HydrophobicContact CG1-CD2 4.32Å; I72-F219 HydrophobicContact CG1-CE2 4.25Å; I72-F231 HydrophobicContact CD1-CD1 3.9Å; I72-Q232 PolarHBondContact N-O 3.29Å; I72-L233 HydrophobicContact CB-CD1 3.94Å; I72-L233 HydrophobicContact CG2-CD1 3.79Å; I72-L233 CarbonylContact O-C 3.41Å; I72-T234 PolarHBondContact O-N 3.45Å; I72-L275 HydrophobicContact CD1-CD2 3.91Å
73	L	98.7	Very high	92.6	Very high	60 Å²	60	44.7 Å²	44.7	31%	0.314	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.8	167.6	177.2	66.6	0	0	0	108.3	G99 S100 T234 I236	L73-G99 CarbonylContact O-C 3.51Å; L73-G99 WeakPolarHBondContact O-CA 3Å; L73-S100 PolarHBondContact N-O 3.48Å; L73-S100 PolarHBondContact O-N 2.83Å; L73-T234 CarbonylContact C-O 3.58Å; L73-T234 VanDerWaalsContact CA-O 3.29Å; L73-T234 WeakPolarHBondContact CA-O 3.37Å; L73-T234 HydrophobicContact CD1-CG2 3.77Å; L73-I236 HydrophobicContact CD1-CD1 4.08Å; L73-I236 HydrophobicContact CD1-CG1 4.06Å
74	L	98.6	Very high	90.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.1	171.9	-62.9	176.3	0	0	0	110.2	I72 F97 F172 L218 L233 T234 V235 I236 L277	I72-L74 HydrophobicContact CG2-CD2 4.18Å; I72-L74 HydrophobicContact CG2-CG 3.97Å; L74-F97 HydrophobicContact CD2-CD2 4.23Å; L74-F97 HydrophobicContact CD2-CE2 4.26Å; L74-F172 HydrophobicContact CD2-CE2 4.09Å; L74-F172 HydrophobicContact CD2-CZ 4.31Å; L74-L218 HydrophobicContact CD1-CD1 3.76Å; L74-L218 HydrophobicContact CD1-CD2 4.24Å; L74-L218 HydrophobicContact CD1-CG 4.09Å; L74-L233 HydrophobicContact CD1-CD1 4Å; L74-L233 HydrophobicContact CG-CD1 4.17Å; L74-T234 PolarHBondContact N-O 2.96Å; L74-V235 CarbonylContact O-C 3.53Å; L74-V235 WeakPolarHBondContact O-CA 3.28Å; L74-I236 PolarHBondContact O-N 3.14Å; L74-L277 HydrophobicContact CD1-CD2 3.92Å
75	H	97.8	Very high	88.7	Confident	45 Å²	45	55.6 Å²	55.6	21%	0.208	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	80.5	173	-178.3	-157.8	0	0	0	109.7	Q77 F97 N98 I236 W259	H75-Q77 PolarHBondContact O-N 2.89Å; H75-F97 WeakPolarHBondContact O-CA 3.38Å; H75-N98 PolarHBondContact N-O 3.25Å; H75-N98 PolarHBondContact O-N 2.89Å; H75-I236 HydrophobicContact CB-CB 4.11Å; H75-I236 HydrophobicContact CB-CD1 4.46Å; H75-I236 VanDerWaalsContact CD2-CG2 3.47Å; H75-I236 WeakPolarHBondContact CD2-CG2 3.42Å; H75-W259 AromaticContact CD2-CH2 3.96Å; H75-W259 AromaticContact CD2-CZ3 3.65Å; H75-W259 AromaticContact NE2-CD2 3.82Å; H75-W259 AromaticContact NE2-CE2 3.79Å; H75-W259 AromaticContact NE2-CE3 3.58Å; H75-W259 AromaticContact NE2-CH2 3.34Å; H75-W259 VanDerWaalsContact NE2-CH2 3.34Å; H75-W259 WeakPolarHBondContact NE2-CH2 3.4Å; H75-W259 AromaticContact NE2-CZ2 3.56Å; H75-W259 AromaticContact NE2-CZ3 3.34Å; H75-W259 VanDerWaalsContact NE2-CZ3 3.34Å; H75-W259 WeakPolarHBondContact NE2-CZ3 3.31Å
76	P	96.5	Very high	86.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.3	172.5	-18.9	35.1	0	0	0	110.4	F78 F97 I176 L183 I279	P76-F78 HydrophobicContact CB-CD1 4.35Å; P76-F78 PolarHBondContact O-N 3.03Å; P76-F97 HydrophobicContact CB-CB 4.28Å; P76-F97 HydrophobicContact CG-CB 4.5Å; P76-I176 HydrophobicContact CB-CD1 4.1Å; P76-L183 HydrophobicContact CB-CD2 4.31Å; P76-L183 HydrophobicContact CG-CD2 4.09Å; P76-I279 HydrophobicContact CB-CD1 4.2Å; P76-I279 HydrophobicContact CG-CD1 3.75Å
77	Q	91.8	Very high	83.5	Confident	65 Å²	65	67 Å²	67	30%	0.304	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	88.2	-179.8	-57.2	-173	15.6	0	0	109.6	H75 T94 F96 N98	H75-Q77 PolarHBondContact O-N 2.89Å; Q77-T94 HydrophobicContact CB-CG2 3.94Å; Q77-T94 CarbonylContact O-C 3.59Å; Q77-T94 VanDerWaalsContact O-C 3.22Å; Q77-T94 WeakPolarHBondContact O-CB 3.29Å; Q77-T94 WeakPolarHBondContact O-CG2 3.41Å; Q77-F96 WeakPolarHBondContact CA-O 3.49Å; Q77-F96 WeakPolarHBondContact CB-O 3.4Å; Q77-F96 PolarHBondContact N-O 2.93Å; Q77-N98 PolarHBondContact NE2-OD1 2.89Å
78	F	90.1	Very high	80.9	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.018	36%	0.356	C	S	.	.			trans	-142.2	166.5	173.1	84	-73.8	0	0	0	110.9	P76 I176 F204 V206 R238 I279	P76-F78 HydrophobicContact CB-CD1 4.35Å; P76-F78 PolarHBondContact O-N 3.03Å; F78-I176 HydrophobicContact CB-CD1 4.39Å; F78-F204 HydrophobicContact CD2-CB 4.32Å; F78-F204 HydrophobicContact CE2-CB 4.45Å; F78-V206 HydrophobicContact CB-CG2 4.44Å; F78-V206 HydrophobicContact CD1-CB 4.36Å; F78-V206 HydrophobicContact CD1-CG2 3.5Å; F78-V206 VanDerWaalsContact CD1-CG2 3.5Å; F78-V206 HydrophobicContact CD2-CG2 3.94Å; F78-V206 HydrophobicContact CE1-CB 3.97Å; F78-V206 HydrophobicContact CE1-CG2 3.56Å; F78-V206 HydrophobicContact CE2-CG2 4Å; F78-V206 HydrophobicContact CG-CG2 3.69Å; F78-V206 HydrophobicContact CZ-CB 4.14Å; F78-V206 HydrophobicContact CZ-CG2 3.82Å; F78-R238 WeakPolarHBondContact O-CG 3.2Å; F78-I279 HydrophobicContact CE1-CB 3.91Å; F78-I279 HydrophobicContact CE1-CD1 4.16Å; F78-I279 HydrophobicContact CE1-CG2 3.75Å; F78-I279 HydrophobicContact CZ-CB 3.93Å; F78-I279 HydrophobicContact CZ-CG2 3.74Å
79	Y	88.7	Confident	78.1	Confident	102 Å²	102	75 Å²	75	40%	0.4	38%	0.381	S	S	.	.			trans	-114.5	133.5	171.9	-63.7	-92	0	0	0	110	R81 Q93 R238	Y79-R81 WeakPolarHBondContact CB-O 3.27Å; Y79-R81 PolarHBondContact O-N 3.03Å; Y79-Q93 PolarHBondContact O-NE2 3.37Å; Y79-R238 PolarHBondContact OH-NH2 2.8Å
80	S	87.4	Confident	75.4	Confident	12 Å²	12	76.4 Å²	76.4	8%	0.084	40%	0.399	C	S	.	.	S	Bend	trans	-67.3	-14.3	174.3	51.4	0	0	0	0	113.2	R203 F204 E281	S80-R203 WeakPolarHBondContact O-CA 3.33Å; S80-F204 WeakPolarHBondContact CA-O 3.39Å; S80-F204 PolarHBondContact O-N 2.83Å; S80-E281 WeakPolarHBondContact CB-OE1 3.36Å; S80-E281 PolarHBondContact OG-OE1 3.34Å
81	R	85.8	Confident	73.1	Confident	94 Å²	94	80.2 Å²	80.2	36%	0.355	42%	0.424	S	S	.	.	S	Bend	trans	-146.2	136.7	-176.7	-49.5	179	175.3	-149	-7.3	108.9	Y79 V83 R203 E281	Y79-R81 WeakPolarHBondContact CB-O 3.27Å; Y79-R81 PolarHBondContact O-N 3.03Å; R81-V83 PolarHBondContact O-N 3.36Å; R81-R203 VanDerWaalsContact CG-NH1 3.25Å; R81-R203 VanDerWaalsContact NE-CZ 3.29Å; R81-E281 IonicContact CZ-OE1 2.68Å; R81-E281 IonicContact CZ-OE2 3.81Å; R81-E281 VanDerWaalsContact CZ-OE2 3.26Å; R81-E281 IonicContact NE-OE1 3.9Å; R81-E281 PolarHBondContact NE-OE1 2.69Å; R81-E281 VanDerWaalsContact NE-OE1 3.09Å; R81-E281 IonicContact NE-OE2 3.26Å; R81-E281 PolarHBondContact NE-OE2 3.38Å; R81-E281 IonicContact NH2-OE1 2.81Å; R81-E281 IonicContact NH2-OE2 2.7Å; R81-E281 PolarHBondContact NH2-OE2 2.89Å
82	I	75.6	Confident	71.3	Confident	71 Å²	71	83.4 Å²	83.4	36%	0.364	44%	0.443	S	S	.	.			trans	-79.5	118.2	168.5	-63	169.7	0	0	0	107.7	E202 F204	I82-E202 WeakPolarHBondContact CD1-OE2 3.34Å; I82-F204 HydrophobicContact CD1-CE2 3.8Å; I82-F204 HydrophobicContact CD1-CZ 3.94Å; I82-F204 HydrophobicContact CG1-CE2 3.78Å; I82-F204 HydrophobicContact CG1-CZ 4.37Å
83	V	61.4	Low	70.3	Confident	114 Å²	114	84.9 Å²	84.9	69%	0.691	45%	0.45	S	S	*	.			trans	-101	110.4	174.1	-174.1	0	0	0	0	107.6	R81 E85	R81-V83 PolarHBondContact O-N 3.36Å; V83-E85 PolarHBondContact O-N 3Å; V83-E85 VanDerWaalsContact O-N 3.07Å
84	E	56.5	Low	69.5	Low	179 Å²	179	84.3 Å²	84.3	84%	0.836	45%	0.449	S	S	*	.			trans	-69.3	102.2	171	-74.9	-168.9	166.4	0	0	109.6
85	E	49.9	Very low	69.1	Low	149 Å²	149	85.3 Å²	85.3	70%	0.696	45%	0.454	S	S	*	.			trans	-81.9	122.1	163.8	-74.9	-163.9	166.5	0	0	110.3	V83 N87 V88	V83-E85 PolarHBondContact O-N 3Å; V83-E85 VanDerWaalsContact O-N 3.07Å; E85-N87 PolarHBondContact O-N 3.36Å; E85-V88 PolarHBondContact O-N 3.24Å
86	V	42.8	Very low	69	Low	133 Å²	133	88.4 Å²	88.4	81%	0.806	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	113.6	177	-179.9	0	0	0	0	109.6
87	N	41.9	Very low	69	Low	156 Å²	156	88.5 Å²	88.5	83%	0.834	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	15.9	175.1	-55.8	-44.2	0	0	0	118.5	E85	E85-N87 PolarHBondContact O-N 3.36Å
88	V	41.4	Very low	69.3	Low	99 Å²	99	88.1 Å²	88.1	60%	0.6	47%	0.468	S	S	*	.			trans	-126.9	112	164.1	-169.9	0	0	0	0	110	E85 T90	E85-V88 PolarHBondContact O-N 3.24Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 3.37Å
89	T	41	Very low	69.7	Low	140 Å²	140	88.4 Å²	88.4	86%	0.859	47%	0.472	S	S	*	.			trans	-74.6	90.3	164.9	41.5	0	0	0	0	109.2
90	T	40.6	Very low	70.1	Confident	106 Å²	106	85.5 Å²	85.5	65%	0.65	47%	0.466	S	S	*	.			trans	-155.6	88.2	146.7	26.9	0	0	0	0	107.9	V88 N92	V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 3.37Å; T90-N92 PolarHBondContact O-N 2.87Å
91	P	51	Low	70.7	Confident	83 Å²	83	85 Å²	85	54%	0.539	46%	0.463	S	S	.	.			trans	-78.4	9.9	176.7	33.3	-33.6	0	0	0	113.1
92	N	61.2	Low	71.3	Confident	136 Å²	136	82 Å²	82	73%	0.727	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-86.2	131.7	-171.2	-71.8	13.4	0	0	0	111.2	T90	T90-N92 PolarHBondContact O-N 2.87Å
93	Q	76.7	Confident	72.4	Confident	35 Å²	35	78.7 Å²	78.7	16%	0.164	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-55.2	141.3	167.9	-174.6	64.8	-88.3	0	0	110.3	Y79 L95 F204	Y79-Q93 PolarHBondContact O-NE2 3.37Å; Q93-L95 HydrophobicContact CG-CD2 3.67Å; Q93-L95 HydrophobicContact CG-CG 4.16Å; Q93-F204 VanDerWaalsContact NE2-CD2 3.31Å
94	T	83.3	Confident	74.1	Confident	47 Å²	47	75.1 Å²	75.1	29%	0.288	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-85.3	129.5	168.1	-54.3	0	0	0	0	107.9	Q77 F96	Q77-T94 HydrophobicContact CB-CG2 3.94Å; Q77-T94 CarbonylContact O-C 3.59Å; Q77-T94 VanDerWaalsContact O-C 3.22Å; Q77-T94 WeakPolarHBondContact O-CB 3.29Å; Q77-T94 WeakPolarHBondContact O-CG2 3.41Å; T94-F96 HydrophobicContact CG2-CB 4.42Å; T94-F96 HydrophobicContact CG2-CD2 4.08Å
95	L	90.3	Very high	76.1	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.11	37%	0.373	C	S	.	.			trans	-123.5	50	-178.2	-64.6	-179.2	0	0	0	110.8	Q93 E175 I176 E178 V185	Q93-L95 HydrophobicContact CG-CD2 3.67Å; Q93-L95 HydrophobicContact CG-CG 4.16Å; L95-E175 WeakPolarHBondContact O-CA 3.32Å; L95-E175 WeakPolarHBondContact O-CG 3.26Å; L95-I176 HydrophobicContact CB-CB 4.11Å; L95-I176 HydrophobicContact CD2-CB 4.27Å; L95-I176 HydrophobicContact CD2-CG2 4.32Å; L95-I176 PolarHBondContact O-N 2.88Å; L95-E178 HydrophobicContact CD1-CG 3.6Å; L95-V185 HydrophobicContact CD1-CG1 4.29Å; L95-V185 HydrophobicContact CD2-CB 3.87Å; L95-V185 HydrophobicContact CD2-CG1 3.71Å; L95-V185 HydrophobicContact CD2-CG2 4.12Å
96	F	94.4	Very high	78.4	Confident	110 Å²	110	64 Å²	64	48%	0.482	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.3	179.2	-70.7	-82	0	0	0	110.7	Q77 T94 E175	Q77-F96 WeakPolarHBondContact CA-O 3.49Å; Q77-F96 WeakPolarHBondContact CB-O 3.4Å; Q77-F96 PolarHBondContact N-O 2.93Å; T94-F96 HydrophobicContact CG2-CB 4.42Å; T94-F96 HydrophobicContact CG2-CD2 4.08Å; F96-E175 HydrophobicContact CD1-CG 4.45Å; F96-E175 HydrophobicContact CE1-CG 4.23Å
97	F	97.4	Very high	80.9	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.009	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.3	168.2	72.7	-83.9	0	0	0	111.1	L74 H75 P76 L121 F172 G174 E175 I176 L183 L218	L74-F97 HydrophobicContact CD2-CD2 4.23Å; L74-F97 HydrophobicContact CD2-CE2 4.26Å; H75-F97 WeakPolarHBondContact O-CA 3.38Å; P76-F97 HydrophobicContact CB-CB 4.28Å; P76-F97 HydrophobicContact CG-CB 4.5Å; F97-L121 HydrophobicContact CE2-CD2 4.41Å; F97-L121 HydrophobicContact CZ-CD2 3.9Å; F97-F172 HydrophobicContact CE2-CD2 4.35Å; F97-F172 HydrophobicContact CE2-CE2 4.12Å; F97-G174 WeakPolarHBondContact CD1-O 3.15Å; F97-G174 VanDerWaalsContact CE1-C 3.47Å; F97-G174 PolarHBondContact N-O 3.34Å; F97-G174 PolarHBondContact O-N 3.46Å; F97-E175 WeakPolarHBondContact CE1-O 3.34Å; F97-I176 HydrophobicContact CD1-CG1 4.15Å; F97-L183 HydrophobicContact CB-CD2 4.14Å; F97-L183 HydrophobicContact CD1-CD2 3.64Å; F97-L183 HydrophobicContact CD2-CD2 4.31Å; F97-L183 HydrophobicContact CE1-CB 4.48Å; F97-L183 HydrophobicContact CE1-CD2 4.04Å; F97-L183 HydrophobicContact CG-CD2 3.78Å; F97-L218 WeakPolarHBondContact CE2-O 3.07Å
98	N	97.8	Very high	83.4	Confident	58 Å²	58	54.6 Å²	54.6	31%	0.31	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	149	169.4	-44.7	90.4	0	0	0	108.1	H75 Q77 D173	H75-N98 PolarHBondContact N-O 3.25Å; H75-N98 PolarHBondContact O-N 2.89Å; Q77-N98 PolarHBondContact NE2-OD1 2.89Å; N98-D173 PolarHBondContact ND2-OD1 2.58Å
99	G	97.9	Very high	85.8	Confident	10 Å²	10	55 Å²	55	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166	178.3	0	0	0	0	0	113.7	L73 S171 F172	L73-G99 CarbonylContact O-C 3.51Å; L73-G99 WeakPolarHBondContact O-CA 3Å; G99-S171 WeakPolarHBondContact O-CA 3.46Å; G99-F172 PolarHBondContact N-O 3.25Å; G99-F172 PolarHBondContact O-N 3.34Å
100	S	98.4	Very high	88.4	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.9	168.1	65.8	0	0	0	0	109.7	L73 L170	L73-S100 PolarHBondContact N-O 3.48Å; L73-S100 PolarHBondContact O-N 2.83Å; S100-L170 CarbonylContact C-O 3.58Å; S100-L170 WeakPolarHBondContact CA-O 3.34Å; S100-L170 WeakPolarHBondContact CB-O 3.46Å
101	S	98.3	Very high	91	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.5	178.3	-178.3	0	0	0	0	110	E71 S169 L170	E71-S101 CarbonylContact O-C 3.51Å; E71-S101 WeakPolarHBondContact O-CA 3.4Å; S101-S169 WeakPolarHBondContact O-CA 3.37Å; S101-L170 PolarHBondContact N-O 3.5Å; S101-L170 PolarHBondContact O-N 3.24Å
102	T	98.7	Very high	93.1	Very high	29 Å²	29	45.7 Å²	45.7	18%	0.178	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.5	168.4	-59.2	0	0	0	0	108.7	Y70 E71 Y104 L168 S169	Y70-T102 WeakPolarHBondContact CA-O 3.43Å; E71-T102 PolarHBondContact N-O 3.17Å; E71-T102 PolarHBondContact O-N 2.93Å; T102-Y104 HydrophobicContact CG2-CE1 4.23Å; T102-Y104 HydrophobicContact CG2-CE2 4.03Å; T102-L168 CarbonylContact C-O 3.56Å; T102-L168 VanDerWaalsContact CA-O 3.3Å; T102-L168 WeakPolarHBondContact CA-O 3.4Å; T102-S169 PolarHBondContact OG1-OG 2.9Å
103	V	98.7	Very high	94.7	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129	172.5	61.7	0	0	0	0	110.1	P67 R69 Y70 F105 S167 L168 F222	P67-V103 HydrophobicContact CB-CG2 4.11Å; R69-V103 WeakPolarHBondContact O-CA 3.35Å; Y70-V103 HydrophobicContact CD1-CB 3.62Å; Y70-V103 HydrophobicContact CD1-CG2 3.77Å; Y70-V103 HydrophobicContact CD2-CG2 4.5Å; Y70-V103 HydrophobicContact CE1-CB 3.49Å; Y70-V103 VanDerWaalsContact CE1-CB 3.49Å; Y70-V103 HydrophobicContact CE1-CG1 4.49Å; Y70-V103 HydrophobicContact CE1-CG2 3.37Å; Y70-V103 HydrophobicContact CE2-CG2 4.16Å; Y70-V103 HydrophobicContact CG-CB 4.47Å; Y70-V103 HydrophobicContact CG-CG2 4.34Å; V103-F105 HydrophobicContact CG1-CD1 4.07Å; V103-F105 HydrophobicContact CG1-CE1 4.39Å; V103-F105 HydrophobicContact CG2-CD1 4.44Å; V103-S167 CarbonylContact O-C 3.58Å; V103-S167 VanDerWaalsContact O-CA 3.23Å; V103-S167 WeakPolarHBondContact O-CA 3.44Å; V103-L168 HydrophobicContact CG1-CB 3.8Å; V103-L168 HydrophobicContact CG1-CD2 4.23Å; V103-L168 HydrophobicContact CG1-CG 4.24Å; V103-L168 PolarHBondContact N-O 2.99Å; V103-L168 PolarHBondContact O-N 3.43Å; V103-F222 HydrophobicContact CG2-CD2 4.26Å; V103-F222 HydrophobicContact CG2-CE2 4.11Å
104	Y	98.6	Very high	95.7	Very high	39 Å²	39	40.1 Å²	40.1	15%	0.153	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.7	169.8	-59	-82.1	0	0	0	108.5	E68 R69 E71 T102 Y166	E68-Y104 PolarHBondContact N-O 3.03Å; R69-Y104 HydrophobicContact CB-CD2 3.94Å; R69-Y104 HydrophobicContact CG-CD2 4.02Å; R69-Y104 PolarHBondContact N-O 3.01Å; R69-Y104 PolarHBondContact O-N 2.99Å; E71-Y104 HydrophobicContact CG-CE2 4Å; T102-Y104 HydrophobicContact CG2-CE1 4.23Å; T102-Y104 HydrophobicContact CG2-CE2 4.03Å; Y104-Y166 WeakPolarHBondContact CA-O 3.4Å
105	F	98	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	155.7	-175.2	61.8	-88.7	0	0	0	112	L65 I66 V103 I114 L160 Y166 L168	L65-F105 HydrophobicContact CB-CD2 4.09Å; L65-F105 HydrophobicContact CD1-CD2 4.33Å; L65-F105 HydrophobicContact CD1-CE2 3.97Å; L65-F105 HydrophobicContact CD2-CD2 4.03Å; L65-F105 HydrophobicContact CD2-CE2 3.9Å; L65-F105 HydrophobicContact CG-CD2 4.38Å; L65-F105 HydrophobicContact CG-CE2 4.36Å; I66-F105 VanDerWaalsContact O-CA 3.26Å; I66-F105 WeakPolarHBondContact O-CA 3.4Å; I66-F105 VanDerWaalsContact O-CB 3.27Å; I66-F105 WeakPolarHBondContact O-CB 3.17Å; V103-F105 HydrophobicContact CG1-CD1 4.07Å; V103-F105 HydrophobicContact CG1-CE1 4.39Å; V103-F105 HydrophobicContact CG2-CD1 4.44Å; F105-I114 HydrophobicContact CZ-CD1 3.92Å; F105-L160 HydrophobicContact CE2-CD1 4.08Å; F105-L160 HydrophobicContact CZ-CD1 4.48Å; F105-Y166 HydrophobicContact CE2-CD2 4.1Å; F105-Y166 HydrophobicContact CE2-CG 4.14Å; F105-Y166 HydrophobicContact CZ-CG 4.35Å; F105-Y166 PolarHBondContact N-O 3.47Å; F105-Y166 PolarHBondContact O-N 3.47Å; F105-L168 HydrophobicContact CE1-CB 3.74Å
106	R	97.2	Very high	96.7	Very high	94 Å²	94	37.5 Å²	37.5	36%	0.355	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.9	173.6	-177.4	171	-78.8	138.6	4.5	110.3	L65 I66 E68 H108	L65-R106 WeakPolarHBondContact CA-O 3.33Å; I66-R106 PolarHBondContact N-O 2.88Å; I66-R106 PolarHBondContact O-N 3.36Å; E68-R106 IonicContact OE1-CZ 2.78Å; E68-R106 IonicContact OE1-NH1 3.59Å; E68-R106 PolarHBondContact OE1-NH1 3.1Å; E68-R106 IonicContact OE1-NH2 3.62Å; R106-H108 PolarHBondContact O-N 3.21Å
107	C	96.4	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	107.7	171.9	-179.5	0	0	0	0	109.7	S64 L65 Q109 L160 K161 T162 N163 G164 Y166	S64-C107 CarbonylContact O-C 3.54Å; L65-C107 HydrophobicContact CD2-CB 3.83Å; C107-Q109 PolarHBondContact SG-O 3.13Å; C107-L160 HydrophobicContact CB-CB 4.27Å; C107-K161 VanDerWaalsContact CB-O 3.28Å; C107-K161 WeakPolarHBondContact CB-O 3.26Å; C107-K161 PolarHBondContact SG-O 2.62Å; C107-K161 VanDerWaalsContact SG-O 3.41Å; C107-T162 CarbonylContact O-C 3.59Å; C107-N163 WeakPolarHBondContact O-CA 3.46Å; C107-N163 PolarHBondContact O-N 3.33Å; C107-G164 PolarHBondContact N-O 3.05Å; C107-Y166 HydrophobicContact CB-CD2 3.96Å; C107-Y166 HydrophobicContact CB-CE2 3.61Å
108	H	93.6	Very high	96.9	Very high	91 Å²	91	32.4 Å²	32.4	42%	0.421	16%	0.164	S	C	.	.	S	Bend	trans	-84.4	-28.3	177	-80.3	-93.4	0	0	0	113	S64 I66 R106 T162	S64-H108 PolarHBondContact O-N 2.94Å; I66-H108 WeakPolarHBondContact CG1-CD2 3.43Å; R106-H108 PolarHBondContact O-N 3.21Å; H108-T162 WeakPolarHBondContact O-CG2 3.17Å
109	Q	93.3	Very high	96.8	Very high	109 Å²	109	33.2 Å²	33.2	51%	0.509	17%	0.165	S	C	.	.	S	Bend	trans	-135	127.1	176.4	-177.7	178.3	-2.7	0	0	109.5	S64 C107 T111	S64-Q109 PolarHBondContact O-N 3.45Å; C107-Q109 PolarHBondContact SG-O 3.13Å; Q109-T111 PolarHBondContact O-N 3Å
110	A	95.1	Very high	96.6	Very high	38 Å²	38	38.3 Å²	38.3	31%	0.314	19%	0.186	S	C	.	.			trans	-53.8	126.9	-178.6	0	0	0	0	0	111.8	L160 T162	A110-L160 WeakPolarHBondContact CA-O 3.47Å; A110-L160 WeakPolarHBondContact CB-O 3.5Å; A110-T162 PolarHBondContact N-OG1 3.09Å
111	T	94.7	Very high	96.5	Very high	21 Å²	21	36.6 Å²	36.6	13%	0.129	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.7	-173.8	-179.2	0	0	0	0	110.6	L65 Q109 H113 N159 L160	L65-T111 HydrophobicContact CD1-CG2 4.49Å; L65-T111 HydrophobicContact CD2-CG2 3.83Å; L65-T111 HydrophobicContact CG-CG2 4.24Å; Q109-T111 PolarHBondContact O-N 3Å; T111-H113 WeakPolarHBondContact CG2-O 3.38Å; T111-H113 PolarHBondContact OG1-N 3.39Å; T111-H113 PolarHBondContact OG1-O 2.72Å; T111-N159 CarbonylContact O-C 3.57Å; T111-N159 WeakPolarHBondContact O-CA 3.47Å; T111-L160 HydrophobicContact CG2-CB 4.41Å; T111-L160 HydrophobicContact CG2-CD1 4.27Å; T111-L160 PolarHBondContact N-O 3.49Å; T111-L160 PolarHBondContact O-N 2.88Å
112	K	95.3	Very high	96.4	Very high	73 Å²	73	40.4 Å²	40.4	32%	0.317	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-13.5	167.3	-69.2	-166.2	173.4	-159.2	0	113.3	M156 N159	K112-M156 VanDerWaalsContact O-CB 3.28Å; K112-M156 WeakPolarHBondContact O-CB 3.47Å; K112-M156 VanDerWaalsContact O-CG 3.31Å; K112-M156 WeakPolarHBondContact O-CG 3.47Å; K112-M156 PolarHBondContact O-N 3.22Å; K112-N159 WeakPolarHBondContact CD-OD1 3.36Å; K112-N159 WeakPolarHBondContact CE-OD1 3.28Å; K112-N159 WeakPolarHBondContact CG-OD1 3.19Å
113	H	95.6	Very high	96.3	Very high	54 Å²	54	40.2 Å²	40.2	25%	0.25	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.4	-172.2	-58.3	-99.4	0	0	0	109.6	T111 F115 E153 I154	T111-H113 WeakPolarHBondContact CG2-O 3.38Å; T111-H113 PolarHBondContact OG1-N 3.39Å; T111-H113 PolarHBondContact OG1-O 2.72Å; H113-F115 HydrophobicContact CB-CD2 4.02Å; H113-F115 HydrophobicContact CB-CE2 3.39Å; H113-F115 HydrophobicContact CB-CZ 4Å; H113-E153 IonicContact CE1-OE1 2.98Å; H113-E153 PolarHBondContact CE1-OE1 3.32Å; H113-E153 IonicContact CG-OE1 3.09Å; H113-E153 IonicContact ND1-OE1 2.74Å; H113-E153 PolarHBondContact ND1-OE1 3.14Å; H113-I154 WeakPolarHBondContact CA-O 3.47Å
114	I	97.4	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121	165.9	-51.5	171.8	0	0	0	106	L65 F105 L116 V128 I154 M156 L160 L168	L65-I114 HydrophobicContact CD1-CB 3.91Å; L65-I114 HydrophobicContact CD1-CG1 3.77Å; L65-I114 HydrophobicContact CD1-CG2 3.7Å; F105-I114 HydrophobicContact CZ-CD1 3.92Å; I114-L116 HydrophobicContact CG2-CG 4.4Å; I114-V128 HydrophobicContact CD1-CG1 4.45Å; I114-V128 HydrophobicContact CD1-CG2 3.98Å; I114-I154 HydrophobicContact CB-CB 4.19Å; I114-I154 PolarHBondContact N-O 3.33Å; I114-I154 PolarHBondContact O-N 2.79Å; I114-M156 HydrophobicContact CD1-SD 4.08Å; I114-L160 HydrophobicContact CD1-CD1 4.13Å; I114-L160 HydrophobicContact CG1-CD1 3.85Å; I114-L168 HydrophobicContact CG2-CD2 4.12Å
115	F	97.3	Very high	95.9	Very high	14 Å²	14	45.4 Å²	45.4	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.7	172.2	-66.7	-88.4	0	0	0	108.7	P57 L61 P62 H113 F151 E153 F222	P57-F115 HydrophobicContact CG-CD1 3.8Å; P57-F115 HydrophobicContact CG-CD2 3.78Å; P57-F115 HydrophobicContact CG-CE1 3.87Å; P57-F115 HydrophobicContact CG-CE2 3.83Å; P57-F115 HydrophobicContact CG-CG 3.77Å; P57-F115 HydrophobicContact CG-CZ 3.89Å; L61-F115 HydrophobicContact CD2-CB 3.8Å; P62-F115 HydrophobicContact CG-CD2 3.98Å; H113-F115 HydrophobicContact CB-CD2 4.02Å; H113-F115 HydrophobicContact CB-CE2 3.39Å; H113-F115 HydrophobicContact CB-CZ 4Å; F115-F151 HydrophobicContact CD1-CB 4.37Å; F115-F151 HydrophobicContact CD1-CD2 4.12Å; F115-F151 HydrophobicContact CD1-CG 4.33Å; F115-E153 HydrophobicContact CD1-CB 3.97Å; F115-E153 HydrophobicContact CD1-CG 4.08Å; F115-E153 HydrophobicContact CE1-CB 3.75Å; F115-E153 VanDerWaalsContact CE1-CD 3.45Å; F115-E153 HydrophobicContact CE1-CG 3.51Å; F115-E153 HydrophobicContact CZ-CG 3.85Å; F115-E153 WeakPolarHBondContact CZ-OE1 3.21Å; F115-F222 WeakPolarHBondContact O-CE1 3.26Å
116	L	97.2	Very high	95.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.9	172.4	-62.6	170.5	0	0	0	108.4	I114 F151 L152 L168 L170 P220 F222	I114-L116 HydrophobicContact CG2-CG 4.4Å; L116-F151 CarbonylContact O-C 3.45Å; L116-F151 VanDerWaalsContact O-CA 3.29Å; L116-F151 WeakPolarHBondContact O-CA 3.33Å; L116-L152 HydrophobicContact CB-CB 4.47Å; L116-L152 PolarHBondContact N-O 3.33Å; L116-L152 PolarHBondContact O-N 3.16Å; L116-L168 HydrophobicContact CD1-CD2 3.59Å; L116-L170 HydrophobicContact CD1-CD1 3.89Å; L116-P220 HydrophobicContact CD1-CB 4.47Å; L116-F222 HydrophobicContact CD2-CD1 4Å; L116-F222 HydrophobicContact CD2-CD2 3.39Å; L116-F222 HydrophobicContact CD2-CE1 3.87Å; L116-F222 HydrophobicContact CD2-CE2 3.29Å; L116-F222 HydrophobicContact CD2-CG 3.75Å; L116-F222 HydrophobicContact CD2-CZ 3.52Å
117	H	98.3	Very high	95.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	140.4	164	-63.5	114.9	0	0	0	110.5	L61 S149 D150 F151 R216 P220 C221 D223	L61-H117 WeakPolarHBondContact CD1-ND1 3.44Å; H117-S149 PolarHBondContact CD2-O 3.04Å; H117-S149 VanDerWaalsContact CD2-O 3.25Å; H117-D150 CarbonylContact C-O 3.59Å; H117-D150 WeakPolarHBondContact CA-O 3.32Å; H117-F151 AromaticContact CD2-CD1 3.76Å; H117-F151 AromaticContact CD2-CE1 3.74Å; H117-F151 AromaticContact NE2-CE1 3.47Å; H117-F151 WeakPolarHBondContact NE2-CE1 3.43Å; H117-R216 HydrophobicContact CB-CB 3.58Å; H117-R216 HydrophobicContact CB-CG 4.45Å; H117-R216 VanDerWaalsContact CD2-CZ 3.49Å; H117-R216 PolarHBondContact CD2-NH1 3.38Å; H117-P220 CarbonylContact O-C 3.57Å; H117-P220 VanDerWaalsContact O-CA 3.28Å; H117-P220 WeakPolarHBondContact O-CA 3.33Å; H117-C221 PolarHBondContact N-O 3.21Å; H117-C221 PolarHBondContact O-N 2.58Å; H117-D223 HydrophobicContact CB-CB 3.78Å; H117-D223 WeakPolarHBondContact ND1-CB 3.35Å; H117-D223 PolarHBondContact ND1-N 3.25Å; H117-D223 PolarHBondContact ND1-O 3.06Å
118	S	97.4	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.			trans	-157.8	118.2	174.3	-178.5	0	0	0	0	109.3	Q144 D150	S118-Q144 PolarHBondContact O-NE2 3.02Å; S118-D150 PolarHBondContact N-O 2.97Å
119	F	95.3	Very high	96.1	Very high	76 Å²	76	42.4 Å²	42.4	33%	0.333	23%	0.231	S	C	.	.			trans	-129.1	134.6	179.9	-173.4	-116.6	0	0	0	110.2	L121 D150 R216 R217	F119-L121 PolarHBondContact O-N 3.45Å; F119-D150 HydrophobicContact CB-CB 4.23Å; F119-D150 WeakPolarHBondContact CD2-OD1 3.17Å; F119-R216 HydrophobicContact CB-CG 3.89Å; F119-R216 PolarHBondContact N-O 3.45Å; F119-R216 VanDerWaalsContact N-O 3.1Å; F119-R217 HydrophobicContact CB-CG 3.94Å; F119-R217 HydrophobicContact CD1-CG 3.59Å; F119-R217 HydrophobicContact CG-CG 4.25Å; F119-R217 WeakPolarHBondContact O-CA 3.33Å
120	E	93.9	Very high	96.3	Very high	117 Å²	117	37.7 Å²	37.7	55%	0.547	21%	0.209	S	C	.	.	S	Bend	trans	54.5	23.4	-179.5	-65.5	176.2	174.3	0	0	116.3	R217	E120-R217 IonicContact OE1-CZ 2.58Å; E120-R217 IonicContact OE1-NH2 3.39Å; E120-R217 PolarHBondContact OE1-NH2 3.15Å; E120-R217 VanDerWaalsContact OE1-NH2 3.09Å; E120-R217 IonicContact OE2-CZ 2.69Å; E120-R217 IonicContact OE2-NE 3.51Å; E120-R217 PolarHBondContact OE2-NE 3.21Å; E120-R217 IonicContact OE2-NH2 3Å; E120-R217 PolarHBondContact OE2-NH2 2.93Å
121	L	96.6	Very high	96.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.215	C	C	.	.			trans	-108.6	134.2	174.8	-66.6	178.5	0	0	0	110.9	F97 F119 V123 Q144 F172 R216 R217 P220	F97-L121 HydrophobicContact CE2-CD2 4.41Å; F97-L121 HydrophobicContact CZ-CD2 3.9Å; F119-L121 PolarHBondContact O-N 3.45Å; L121-V123 HydrophobicContact CB-CG2 4.08Å; L121-V123 PolarHBondContact O-N 2.91Å; L121-Q144 PolarHBondContact O-OE1 3.41Å; L121-F172 HydrophobicContact CD1-CD2 4.33Å; L121-F172 HydrophobicContact CD2-CD2 4.3Å; L121-R216 WeakPolarHBondContact CD1-O 3.27Å; L121-R217 WeakPolarHBondContact CD2-O 3.39Å; L121-P220 HydrophobicContact CD1-CG 4.14Å
122	S	96.7	Very high	96.3	Very high	82 Å²	82	45.4 Å²	45.4	57%	0.573	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	101.6	168.1	-67.8	0	0	0	0	109.3	F172 D173	S122-F172 WeakPolarHBondContact O-CA 3.32Å; S122-D173 PolarHBondContact N-O 3.15Å; S122-D173 PolarHBondContact O-N 2.93Å
123	V	96.7	Very high	96.2	Very high	26 Å²	26	46.1 Å²	46.1	16%	0.158	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.8	-173.4	-171.9	0	0	0	0	111.7	L121 L152 L170 F172 P220	L121-V123 HydrophobicContact CB-CG2 4.08Å; L121-V123 PolarHBondContact O-N 2.91Å; V123-L152 HydrophobicContact CG1-CD2 4.04Å; V123-L152 HydrophobicContact CG2-CD2 4.44Å; V123-L170 HydrophobicContact CG1-CB 4.38Å; V123-L170 HydrophobicContact CG1-CD2 3.88Å; V123-F172 HydrophobicContact CG2-CB 4.3Å; V123-P220 HydrophobicContact CG1-CG 4.41Å; V123-P220 HydrophobicContact CG2-CG 3.8Å
124	S	93.4	Very high	96.1	Very high	49 Å²	49	50 Å²	50	34%	0.343	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-74.8	161.5	174.8	-69.1	0	0	0	0	112.4	S171	S124-S171 WeakPolarHBondContact CB-O 3.48Å; S124-S171 PolarHBondContact N-O 3.01Å
125	P	94.7	Very high	96	Very high	101 Å²	101	54.9 Å²	54.9	66%	0.656	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-54.1	131.4	-180	-27.9	35.5	0	0	0	113.3
126	P	97.1	Very high	95.9	Very high	16 Å²	16	60.3 Å²	60.3	10%	0.104	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72.2	147.3	-173.5	28.2	-36.4	0	0	0	113.5	V139 H142 I154 L168 L170	P126-V139 HydrophobicContact CG-CG1 3.93Å; P126-V139 HydrophobicContact CG-CG2 4.18Å; P126-H142 HydrophobicContact CG-CB 3.99Å; P126-I154 HydrophobicContact CB-CD1 3.77Å; P126-I154 HydrophobicContact CB-CG1 4.37Å; P126-I154 HydrophobicContact CB-CG2 4.34Å; P126-I154 HydrophobicContact CG-CD1 4.05Å; P126-I154 HydrophobicContact CG-CG1 4.09Å; P126-I154 HydrophobicContact CG-CG2 3.78Å; P126-L168 HydrophobicContact CB-CD1 3.51Å; P126-L170 HydrophobicContact CB-CD2 3.67Å
127	E	97.7	Very high	95.9	Very high	72 Å²	72	61.3 Å²	61.3	34%	0.336	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.9	167.9	178.9	168.2	111	0	0	111	I129 K136 L168 S169	E127-I129 HydrophobicContact CG-CG1 4.28Å; E127-K136 HydrophobicContact CG-CD 4.26Å; E127-K136 WeakPolarHBondContact OE2-CE 3.23Å; E127-K136 IonicContact OE2-NZ 3.93Å; E127-K136 PolarHBondContact OE2-NZ 3.03Å; E127-L168 CarbonylContact O-C 3.5Å; E127-L168 WeakPolarHBondContact O-CA 3.3Å; E127-S169 PolarHBondContact N-O 3.41Å; E127-S169 PolarHBondContact O-N 2.85Å
128	V	97.9	Very high	95.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.9	177.4	-173.8	0	0	0	0	110.5	I114 L137 V139 M156 S167 L168	I114-V128 HydrophobicContact CD1-CG1 4.45Å; I114-V128 HydrophobicContact CD1-CG2 3.98Å; V128-L137 HydrophobicContact CB-CB 4.45Å; V128-L137 HydrophobicContact CG1-CB 4.48Å; V128-L137 HydrophobicContact CG1-CD1 4.13Å; V128-L137 PolarHBondContact O-N 3.46Å; V128-V139 HydrophobicContact CG2-CG2 4.05Å; V128-M156 HydrophobicContact CB-CE 3.75Å; V128-M156 HydrophobicContact CB-SD 4.3Å; V128-M156 HydrophobicContact CG1-CE 3.86Å; V128-M156 HydrophobicContact CG1-SD 4.44Å; V128-M156 HydrophobicContact CG2-CE 3.97Å; V128-M156 HydrophobicContact CG2-SD 3.84Å; V128-S167 CarbonylContact C-O 3.48Å; V128-S167 WeakPolarHBondContact CA-O 3.26Å; V128-L168 HydrophobicContact CG2-CD1 3.83Å
129	I	97.8	Very high	95.8	Very high	34 Å²	34	66.4 Å²	66.4	17%	0.174	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.9	178.5	-57.2	175.7	0	0	0	109.3	E127 R131 Y166 S167	E127-I129 HydrophobicContact CG-CG1 4.28Å; I129-R131 PolarHBondContact O-N 3.37Å; I129-Y166 CarbonylContact O-C 3.4Å; I129-Y166 VanDerWaalsContact O-CA 3.3Å; I129-Y166 WeakPolarHBondContact O-CA 3.42Å; I129-S167 PolarHBondContact N-O 3.22Å; I129-S167 PolarHBondContact O-N 3.49Å
130	D	97	Very high	95.8	Very high	11 Å²	11	67.2 Å²	67.2	6%	0.059	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	111.5	162.4	179.7	-20.4	0	0	0	108.3	D132 N133 N134 K135 L137 Y166	D130-D132 WeakPolarHBondContact OD1-CB 3.47Å; D130-D132 PolarHBondContact OD1-N 3.02Å; D130-N133 WeakPolarHBondContact CB-OD1 3.42Å; D130-N133 VanDerWaalsContact CG-ND2 3.3Å; D130-N133 PolarHBondContact O-OD1 2.98Å; D130-N133 PolarHBondContact OD1-OD1 3.25Å; D130-N133 PolarHBondContact OD2-ND2 3.04Å; D130-N133 PolarHBondContact OD2-OD1 3.33Å; D130-N134 CarbonylContact O-C 3.54Å; D130-N134 WeakPolarHBondContact O-CA 3.38Å; D130-N134 PolarHBondContact O-N 2.91Å; D130-K135 PolarHBondContact N-O 2.81Å; D130-K135 PolarHBondContact O-N 3.41Å; D130-L137 HydrophobicContact CB-CD1 4.3Å; D130-L137 HydrophobicContact CB-CD2 4.14Å; D130-L137 HydrophobicContact CB-CG 4.25Å; D130-Y166 HydrophobicContact CB-CD1 4.14Å; D130-Y166 HydrophobicContact CB-CE1 3.87Å
131	R	96.4	Very high	95.9	Very high	116 Å²	116	64 Å²	64	44%	0.438	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.2	-174.1	-63.1	-171.6	66.6	-151.9	4.5	113.1	I129 N133 N165	I129-R131 PolarHBondContact O-N 3.37Å; R131-N133 VanDerWaalsContact C-N 3.31Å; R131-N165 HydrophobicContact CB-CB 4.31Å; R131-N165 WeakPolarHBondContact CB-O 3.48Å; R131-N165 PolarHBondContact N-O 3.22Å
132	D	93.5	Very high	95.8	Very high	104 Å²	104	67.3 Å²	67.3	56%	0.556	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.6	178.7	-64.4	-40.8	0	0	0	111.4	D130 G164 N165	D130-D132 WeakPolarHBondContact OD1-CB 3.47Å; D130-D132 PolarHBondContact OD1-N 3.02Å; D132-G164 WeakPolarHBondContact OD2-CA 3.49Å; D132-N165 WeakPolarHBondContact OD1-CB 3.2Å; D132-N165 PolarHBondContact OD2-N 3.36Å
133	N	93.2	Very high	95.8	Very high	88 Å²	88	69.1 Å²	69.1	47%	0.471	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	2.9	178	57.7	38	0	0	0	114.1	D130 R131 K135	D130-N133 WeakPolarHBondContact CB-OD1 3.42Å; D130-N133 VanDerWaalsContact CG-ND2 3.3Å; D130-N133 PolarHBondContact O-OD1 2.98Å; D130-N133 PolarHBondContact OD1-OD1 3.25Å; D130-N133 PolarHBondContact OD2-ND2 3.04Å; D130-N133 PolarHBondContact OD2-OD1 3.33Å; R131-N133 VanDerWaalsContact C-N 3.31Å; N133-K135 VanDerWaalsContact C-N 3.31Å; N133-K135 PolarHBondContact O-N 3.23Å; N133-K135 WeakPolarHBondContact OD1-CB 3.24Å; N133-K135 PolarHBondContact OD1-N 2.91Å; N133-K135 VanDerWaalsContact OD1-N 3.09Å
134	N	93.1	Very high	95.6	Very high	136 Å²	136	71.4 Å²	71.4	73%	0.727	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	40.4	-178.5	-161	46.3	0	0	0	113.3	D130	D130-N134 CarbonylContact O-C 3.54Å; D130-N134 WeakPolarHBondContact O-CA 3.38Å; D130-N134 PolarHBondContact O-N 2.91Å
135	K	94.9	Very high	95.6	Very high	102 Å²	102	71.1 Å²	71.1	44%	0.443	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.4	-179.1	-174.4	-168.7	173.3	-161.6	0	110.4	D130 N133 L137 E158	D130-K135 PolarHBondContact N-O 2.81Å; D130-K135 PolarHBondContact O-N 3.41Å; N133-K135 VanDerWaalsContact C-N 3.31Å; N133-K135 PolarHBondContact O-N 3.23Å; N133-K135 WeakPolarHBondContact OD1-CB 3.24Å; N133-K135 PolarHBondContact OD1-N 2.91Å; N133-K135 VanDerWaalsContact OD1-N 3.09Å; K135-L137 HydrophobicContact CD-CD2 4.28Å; K135-L137 PolarHBondContact O-N 2.89Å; K135-E158 IonicContact NZ-OE2 3.79Å
136	K	96	Very high	95.2	Very high	128 Å²	128	74.5 Å²	74.5	56%	0.557	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.2	166.4	-176.7	168.5	178.4	163	0	110	E127	E127-K136 HydrophobicContact CG-CD 4.26Å; E127-K136 WeakPolarHBondContact OE2-CE 3.23Å; E127-K136 IonicContact OE2-NZ 3.93Å; E127-K136 PolarHBondContact OE2-NZ 3.03Å
137	L	96.3	Very high	94.9	Very high	22 Å²	22	78 Å²	78	12%	0.115	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	149.2	178.7	-58.1	-175.4	0	0	0	110.7	V128 D130 K135 M156 L160 Y166	V128-L137 HydrophobicContact CB-CB 4.45Å; V128-L137 HydrophobicContact CG1-CB 4.48Å; V128-L137 HydrophobicContact CG1-CD1 4.13Å; V128-L137 PolarHBondContact O-N 3.46Å; D130-L137 HydrophobicContact CB-CD1 4.3Å; D130-L137 HydrophobicContact CB-CD2 4.14Å; D130-L137 HydrophobicContact CB-CG 4.25Å; K135-L137 HydrophobicContact CD-CD2 4.28Å; K135-L137 PolarHBondContact O-N 2.89Å; L137-M156 HydrophobicContact CB-CE 3.52Å; L137-M156 HydrophobicContact CD1-CE 4.06Å; L137-M156 HydrophobicContact CG-CE 4.46Å; L137-L160 HydrophobicContact CD1-CD2 3.73Å; L137-Y166 HydrophobicContact CD1-CD1 4.08Å; L137-Y166 HydrophobicContact CD1-CE1 3.87Å
138	S	96.1	Very high	94.4	Very high	67 Å²	67	81.1 Å²	81.1	47%	0.469	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-78.1	128.6	174.6	-59.8	0	0	0	0	110.7	E157	S138-E157 WeakPolarHBondContact CB-OE2 3.43Å; S138-E157 PolarHBondContact O-N 2.9Å; S138-E157 VanDerWaalsContact O-N 3.08Å; S138-E157 PolarHBondContact OG-OE2 2.98Å
139	V	97	Very high	94.1	Very high	43 Å²	43	81.2 Å²	81.2	26%	0.261	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127	169.6	176.3	0	0	0	0	108	P126 V128 S141 I154 M156	P126-V139 HydrophobicContact CG-CG1 3.93Å; P126-V139 HydrophobicContact CG-CG2 4.18Å; V128-V139 HydrophobicContact CG2-CG2 4.05Å; V139-S141 VanDerWaalsContact CG1-O 3.3Å; V139-S141 WeakPolarHBondContact CG1-O 3.19Å; V139-I154 HydrophobicContact CG1-CG2 3.66Å; V139-I154 HydrophobicContact CG2-CG2 4.14Å; V139-M156 HydrophobicContact CG2-CE 4.18Å; V139-M156 HydrophobicContact CG2-SD 3.99Å
140	L	96.3	Very high	93.9	Very high	94 Å²	94	80.6 Å²	80.6	49%	0.492	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-48.8	176.3	-76	174.8	0	0	0	111.5	E155 E157	L140-E155 HydrophobicContact CB-CB 4.33Å; L140-E155 HydrophobicContact CB-CG 4.24Å; L140-E155 HydrophobicContact CD1-CG 4.11Å; L140-E155 PolarHBondContact N-O 2.89Å; L140-E157 HydrophobicContact CD1-CB 4.45Å; L140-E157 HydrophobicContact CD2-CB 4.1Å; L140-E157 HydrophobicContact CD2-CG 4.06Å; L140-E157 HydrophobicContact CG-CB 3.93Å; L140-E157 HydrophobicContact CG-CG 4.38Å
141	S	95.8	Very high	93.9	Very high	48 Å²	48	80.1 Å²	80.1	34%	0.336	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	157.3	-177.1	70.5	0	0	0	0	110.5	V139 E155	V139-S141 VanDerWaalsContact CG1-O 3.3Å; V139-S141 WeakPolarHBondContact CG1-O 3.19Å; S141-E155 PolarHBondContact N-O 3.17Å; S141-E155 PolarHBondContact O-N 3.39Å; S141-E155 VanDerWaalsContact OG-CB 3.31Å; S141-E155 WeakPolarHBondContact OG-CB 3.4Å; S141-E155 PolarHBondContact OG-OE2 2.89Å; S141-E155 VanDerWaalsContact OG-OE2 3.04Å
142	H	95.3	Very high	94	Very high	74 Å²	74	74.7 Å²	74.7	34%	0.343	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.5	163.7	64.7	-69.9	0	0	0	107.7	P126 E153 I154	P126-H142 HydrophobicContact CG-CB 3.99Å; H142-E153 CarbonylContact C-O 3.55Å; H142-E153 WeakPolarHBondContact CA-O 3.45Å; H142-I154 HydrophobicContact CB-CG1 4.19Å
143	Q	94.7	Very high	94.1	Very high	120 Å²	120	71.5 Å²	71.5	56%	0.561	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	132.4	-176.1	178	176.3	-5.2	0	0	109.3	E153	Q143-E153 PolarHBondContact N-O 3.16Å; Q143-E153 PolarHBondContact O-N 2.88Å
144	Q	94.4	Very high	94.4	Very high	74 Å²	74	67.3 Å²	67.3	35%	0.346	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.9	164.9	-165.2	166.1	2.5	0	0	108.5	S118 L121 F151	S118-Q144 PolarHBondContact O-NE2 3.02Å; L121-Q144 PolarHBondContact O-OE1 3.41Å; Q144-F151 CarbonylContact C-O 3.51Å; Q144-F151 WeakPolarHBondContact CA-O 3.36Å
145	H	93	Very high	94.6	Very high	43 Å²	43	63.8 Å²	63.8	20%	0.199	32%	0.322	C	S	.	.			trans	-76.6	140.3	176.4	-69.2	-162.9	0	0	0	108.5	F151 E153	H145-F151 HydrophobicContact CB-CB 4.3Å; H145-F151 PolarHBondContact N-O 3.19Å; H145-E153 IonicContact CE1-OE2 3.35Å; H145-E153 IonicContact NE2-OE2 3.02Å; H145-E153 PolarHBondContact NE2-OE2 2.74Å
146	D	86.7	Confident	94.7	Very high	173 Å²	173	59 Å²	59	93%	0.925	30%	0.301	S	S	*	.			trans	-108.1	57.5	179.4	-170.3	27.4	0	0	0	108.4
147	D	89.6	Confident	94.6	Very high	89 Å²	89	57.8 Å²	57.8	48%	0.476	30%	0.298	S	S	.	.	S	Bend	trans	-147.6	178.7	-179.7	62.5	37.5	0	0	0	110.4	S149 D150	D147-S149 PolarHBondContact O-N 2.8Å; D147-S149 WeakPolarHBondContact OD1-CB 3.35Å; D147-S149 PolarHBondContact OD1-N 3.36Å; D147-S149 PolarHBondContact OD1-OG 2.65Å; D147-D150 PolarHBondContact O-N 3.35Å
148	E	87.3	Confident	94.5	Very high	137 Å²	137	62.4 Å²	62.4	64%	0.64	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.9	-175.3	-62	-176.2	163.6	0	0	114.5	M59 T458	M59-E148 HydrophobicContact CE-CB 4.11Å; M59-E148 VanDerWaalsContact CE-O 3.32Å; M59-E148 WeakPolarHBondContact CE-O 2.82Å; M59-E148 HydrophobicContact SD-CB 4.32Å; E148-T458 VanDerWaalsContact OE2-CG2 3.32Å; E148-T458 WeakPolarHBondContact OE2-CG2 3.23Å
149	S	91.8	Very high	94.3	Very high	3 Å²	3	63 Å²	63	2%	0.021	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.1	178.6	74.5	0	0	0	0	113.4	V58 H117 D147 F151	V58-S149 VanDerWaalsContact O-CB 3.3Å; V58-S149 WeakPolarHBondContact O-CB 3.3Å; H117-S149 PolarHBondContact CD2-O 3.04Å; H117-S149 VanDerWaalsContact CD2-O 3.25Å; D147-S149 PolarHBondContact O-N 2.8Å; D147-S149 WeakPolarHBondContact OD1-CB 3.35Å; D147-S149 PolarHBondContact OD1-N 3.36Å; D147-S149 PolarHBondContact OD1-OG 2.65Å; S149-F151 WeakPolarHBondContact O-CD1 3.4Å; S149-F151 PolarHBondContact O-N 2.78Å; S149-F151 WeakPolarHBondContact OG-CD2 3.46Å; S149-F151 WeakPolarHBondContact OG-CG 3.29Å; S149-F151 PolarHBondContact OG-N 2.94Å
150	D	94.2	Very high	94.2	Very high	20 Å²	20	61 Å²	61	11%	0.107	31%	0.305	C	S	.	.			trans	51.1	29.2	-169.5	-54.6	-42.4	0	0	0	113.9	H117 S118 F119 D147 R216	H117-D150 CarbonylContact C-O 3.59Å; H117-D150 WeakPolarHBondContact CA-O 3.32Å; S118-D150 PolarHBondContact N-O 2.97Å; F119-D150 HydrophobicContact CB-CB 4.23Å; F119-D150 WeakPolarHBondContact CD2-OD1 3.17Å; D147-D150 PolarHBondContact O-N 3.35Å; D150-R216 WeakPolarHBondContact OD2-CD 3.49Å; D150-R216 IonicContact OD2-CZ 3.09Å; D150-R216 IonicContact OD2-NE 3.96Å; D150-R216 IonicContact OD2-NH1 2.62Å; D150-R216 PolarHBondContact OD2-NH1 2.98Å
151	F	96.9	Very high	94.2	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	136	-175.7	-70.9	-24.4	0	0	0	113.5	P57 L61 F115 L116 H117 Q144 H145 S149	P57-F151 HydrophobicContact CB-CE2 3.76Å; P57-F151 HydrophobicContact CB-CZ 4.15Å; P57-F151 HydrophobicContact CG-CD2 4.27Å; P57-F151 HydrophobicContact CG-CE2 3.74Å; P57-F151 HydrophobicContact CG-CZ 4.41Å; L61-F151 HydrophobicContact CD2-CD1 3.87Å; L61-F151 HydrophobicContact CD2-CE1 3.47Å; L61-F151 VanDerWaalsContact CD2-CE1 3.47Å; L61-F151 HydrophobicContact CD2-CZ 4.17Å; L61-F151 HydrophobicContact CG-CE1 4.02Å; F115-F151 HydrophobicContact CD1-CB 4.37Å; F115-F151 HydrophobicContact CD1-CD2 4.12Å; F115-F151 HydrophobicContact CD1-CG 4.33Å; L116-F151 CarbonylContact O-C 3.45Å; L116-F151 VanDerWaalsContact O-CA 3.29Å; L116-F151 WeakPolarHBondContact O-CA 3.33Å; H117-F151 AromaticContact CD2-CD1 3.76Å; H117-F151 AromaticContact CD2-CE1 3.74Å; H117-F151 AromaticContact NE2-CE1 3.47Å; H117-F151 WeakPolarHBondContact NE2-CE1 3.43Å; Q144-F151 CarbonylContact C-O 3.51Å; Q144-F151 WeakPolarHBondContact CA-O 3.36Å; H145-F151 HydrophobicContact CB-CB 4.3Å; H145-F151 PolarHBondContact N-O 3.19Å; S149-F151 WeakPolarHBondContact O-CD1 3.4Å; S149-F151 PolarHBondContact O-N 2.78Å; S149-F151 WeakPolarHBondContact OG-CD2 3.46Å; S149-F151 WeakPolarHBondContact OG-CG 3.29Å; S149-F151 PolarHBondContact OG-N 2.94Å
152	L	97.5	Very high	94.1	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.1	155.8	176.4	65.3	0	0	0	108.4	L116 V123 I154 L170 P220	L116-L152 HydrophobicContact CB-CB 4.47Å; L116-L152 PolarHBondContact N-O 3.33Å; L116-L152 PolarHBondContact O-N 3.16Å; V123-L152 HydrophobicContact CG1-CD2 4.04Å; V123-L152 HydrophobicContact CG2-CD2 4.44Å; L152-I154 HydrophobicContact CG-CG1 4.47Å; L152-L170 HydrophobicContact CD2-CD1 4.09Å; L152-P220 HydrophobicContact CD2-CB 4.15Å
153	E	97.1	Very high	94	Very high	36 Å²	36	66.3 Å²	66.3	17%	0.168	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.9	176.1	-178.2	175.6	-172.6	0	0	110.8	H113 F115 H142 Q143 H145	H113-E153 IonicContact CE1-OE1 2.98Å; H113-E153 PolarHBondContact CE1-OE1 3.32Å; H113-E153 IonicContact CG-OE1 3.09Å; H113-E153 IonicContact ND1-OE1 2.74Å; H113-E153 PolarHBondContact ND1-OE1 3.14Å; F115-E153 HydrophobicContact CD1-CB 3.97Å; F115-E153 HydrophobicContact CD1-CG 4.08Å; F115-E153 HydrophobicContact CE1-CB 3.75Å; F115-E153 VanDerWaalsContact CE1-CD 3.45Å; F115-E153 HydrophobicContact CE1-CG 3.51Å; F115-E153 HydrophobicContact CZ-CG 3.85Å; F115-E153 WeakPolarHBondContact CZ-OE1 3.21Å; H142-E153 CarbonylContact C-O 3.55Å; H142-E153 WeakPolarHBondContact CA-O 3.45Å; Q143-E153 PolarHBondContact N-O 3.16Å; Q143-E153 PolarHBondContact O-N 2.88Å; H145-E153 IonicContact CE1-OE2 3.35Å; H145-E153 IonicContact NE2-OE2 3.02Å; H145-E153 PolarHBondContact NE2-OE2 2.74Å
154	I	97.9	Very high	94	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115.9	174.1	-55.7	165.9	0	0	0	108.4	H113 I114 P126 V139 H142 L152 M156 L168 L170	H113-I154 WeakPolarHBondContact CA-O 3.47Å; I114-I154 HydrophobicContact CB-CB 4.19Å; I114-I154 PolarHBondContact N-O 3.33Å; I114-I154 PolarHBondContact O-N 2.79Å; P126-I154 HydrophobicContact CB-CD1 3.77Å; P126-I154 HydrophobicContact CB-CG1 4.37Å; P126-I154 HydrophobicContact CB-CG2 4.34Å; P126-I154 HydrophobicContact CG-CD1 4.05Å; P126-I154 HydrophobicContact CG-CG1 4.09Å; P126-I154 HydrophobicContact CG-CG2 3.78Å; V139-I154 HydrophobicContact CG1-CG2 3.66Å; V139-I154 HydrophobicContact CG2-CG2 4.14Å; H142-I154 HydrophobicContact CB-CG1 4.19Å; L152-I154 HydrophobicContact CG-CG1 4.47Å; I154-M156 HydrophobicContact CG2-SD 4.16Å; I154-L168 HydrophobicContact CD1-CD1 3.78Å; I154-L168 HydrophobicContact CD1-CD2 3.52Å; I154-L168 HydrophobicContact CD1-CG 4.31Å; I154-L170 HydrophobicContact CD1-CD2 4.49Å
155	E	97.3	Very high	94.1	Very high	62 Å²	62	58.8 Å²	58.8	29%	0.29	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.3	178.8	-170	-172.1	-178	0	0	110.6	L140 S141	L140-E155 HydrophobicContact CB-CB 4.33Å; L140-E155 HydrophobicContact CB-CG 4.24Å; L140-E155 HydrophobicContact CD1-CG 4.11Å; L140-E155 PolarHBondContact N-O 2.89Å; S141-E155 PolarHBondContact N-O 3.17Å; S141-E155 PolarHBondContact O-N 3.39Å; S141-E155 VanDerWaalsContact OG-CB 3.31Å; S141-E155 WeakPolarHBondContact OG-CB 3.4Å; S141-E155 PolarHBondContact OG-OE2 2.89Å; S141-E155 VanDerWaalsContact OG-OE2 3.04Å
156	M	97.1	Very high	94.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.4	180	-55.9	-56.5	-60	0	0	111.4	K112 I114 V128 L137 V139 I154 E158 L160	K112-M156 VanDerWaalsContact O-CB 3.28Å; K112-M156 WeakPolarHBondContact O-CB 3.47Å; K112-M156 VanDerWaalsContact O-CG 3.31Å; K112-M156 WeakPolarHBondContact O-CG 3.47Å; K112-M156 PolarHBondContact O-N 3.22Å; I114-M156 HydrophobicContact CD1-SD 4.08Å; V128-M156 HydrophobicContact CB-CE 3.75Å; V128-M156 HydrophobicContact CB-SD 4.3Å; V128-M156 HydrophobicContact CG1-CE 3.86Å; V128-M156 HydrophobicContact CG1-SD 4.44Å; V128-M156 HydrophobicContact CG2-CE 3.97Å; V128-M156 HydrophobicContact CG2-SD 3.84Å; L137-M156 HydrophobicContact CB-CE 3.52Å; L137-M156 HydrophobicContact CD1-CE 4.06Å; L137-M156 HydrophobicContact CG-CE 4.46Å; V139-M156 HydrophobicContact CG2-CE 4.18Å; V139-M156 HydrophobicContact CG2-SD 3.99Å; I154-M156 HydrophobicContact CG2-SD 4.16Å; M156-E158 VanDerWaalsContact CB-O 3.24Å; M156-E158 WeakPolarHBondContact CB-O 3.18Å; M156-L160 HydrophobicContact CG-CD2 4.3Å; M156-L160 HydrophobicContact CG-CG 4.35Å
157	E	95.7	Very high	94.9	Very high	104 Å²	104	49 Å²	49	49%	0.486	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-38.6	176	-168.9	171.8	-171.7	0	0	112	S138 L140	S138-E157 WeakPolarHBondContact CB-OE2 3.43Å; S138-E157 PolarHBondContact O-N 2.9Å; S138-E157 VanDerWaalsContact O-N 3.08Å; S138-E157 PolarHBondContact OG-OE2 2.98Å; L140-E157 HydrophobicContact CD1-CB 4.45Å; L140-E157 HydrophobicContact CD2-CB 4.1Å; L140-E157 HydrophobicContact CD2-CG 4.06Å; L140-E157 HydrophobicContact CG-CB 3.93Å; L140-E157 HydrophobicContact CG-CG 4.38Å
158	E	92.2	Very high	95.4	Very high	118 Å²	118	44.8 Å²	44.8	55%	0.551	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115	151.7	178.1	-59.6	-177.7	156.3	0	0	110.3	K135 M156 L160	K135-E158 IonicContact NZ-OE2 3.79Å; M156-E158 VanDerWaalsContact CB-O 3.24Å; M156-E158 WeakPolarHBondContact CB-O 3.18Å; E158-L160 PolarHBondContact O-N 3.13Å
159	N	93.6	Very high	95.9	Very high	81 Å²	81	39.8 Å²	39.8	43%	0.433	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.6	175.2	-66.6	12.6	0	0	0	110.6	T111 K112	T111-N159 CarbonylContact O-C 3.57Å; T111-N159 WeakPolarHBondContact O-CA 3.47Å; K112-N159 WeakPolarHBondContact CD-OD1 3.36Å; K112-N159 WeakPolarHBondContact CE-OD1 3.28Å; K112-N159 WeakPolarHBondContact CG-OD1 3.19Å
160	L	95.2	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.7	157	-54.9	-177.9	0	0	0	108.2	L65 F105 C107 A110 T111 I114 L137 M156 E158 Y166	L65-L160 HydrophobicContact CD1-CD1 4.34Å; L65-L160 HydrophobicContact CD2-CD1 3.96Å; F105-L160 HydrophobicContact CE2-CD1 4.08Å; F105-L160 HydrophobicContact CZ-CD1 4.48Å; C107-L160 HydrophobicContact CB-CB 4.27Å; A110-L160 WeakPolarHBondContact CA-O 3.47Å; A110-L160 WeakPolarHBondContact CB-O 3.5Å; T111-L160 HydrophobicContact CG2-CB 4.41Å; T111-L160 HydrophobicContact CG2-CD1 4.27Å; T111-L160 PolarHBondContact N-O 3.49Å; T111-L160 PolarHBondContact O-N 2.88Å; I114-L160 HydrophobicContact CD1-CD1 4.13Å; I114-L160 HydrophobicContact CG1-CD1 3.85Å; L137-L160 HydrophobicContact CD1-CD2 3.73Å; M156-L160 HydrophobicContact CG-CD2 4.3Å; M156-L160 HydrophobicContact CG-CG 4.35Å; E158-L160 PolarHBondContact O-N 3.13Å; L160-Y166 HydrophobicContact CB-CE2 3.95Å; L160-Y166 HydrophobicContact CD2-CD1 3.89Å; L160-Y166 HydrophobicContact CD2-CD2 4.45Å; L160-Y166 HydrophobicContact CD2-CE1 3.73Å; L160-Y166 HydrophobicContact CD2-CE2 4.29Å; L160-Y166 HydrophobicContact CD2-CG 4.27Å
161	K	94.8	Very high	96.4	Very high	138 Å²	138	42 Å²	42	60%	0.6	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-88.7	141.8	-174.1	-63.4	178.8	-175.7	169.4	0	110.4	C107 N163 G164 Y166	C107-K161 VanDerWaalsContact CB-O 3.28Å; C107-K161 WeakPolarHBondContact CB-O 3.26Å; C107-K161 PolarHBondContact SG-O 2.62Å; C107-K161 VanDerWaalsContact SG-O 3.41Å; K161-N163 PolarHBondContact O-N 3.16Å; K161-G164 PolarHBondContact O-N 3.46Å; K161-Y166 PolarHBondContact N-OH 3.05Å
162	T	94.3	Very high	96.5	Very high	77 Å²	77	42 Å²	42	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	134.9	169.3	-58.4	0	0	0	0	110.8	C107 H108 A110 G164	C107-T162 CarbonylContact O-C 3.59Å; H108-T162 WeakPolarHBondContact O-CG2 3.17Å; A110-T162 PolarHBondContact N-OG1 3.09Å; T162-G164 PolarHBondContact O-N 3.14Å
163	N	92.9	Very high	96.5	Very high	112 Å²	112	45.2 Å²	45.2	60%	0.599	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	9.6	-172.1	-59.1	-35.8	0	0	0	115.9	C107 K161	C107-N163 WeakPolarHBondContact O-CA 3.46Å; C107-N163 PolarHBondContact O-N 3.33Å; K161-N163 PolarHBondContact O-N 3.16Å
164	G	94.8	Very high	96.4	Very high	5 Å²	5	43.9 Å²	43.9	5%	0.052	23%	0.233	C	C	.	.			trans	-71.8	148.4	175.3	0	0	0	0	0	112.5	C107 D132 K161 T162 Y166	C107-G164 PolarHBondContact N-O 3.05Å; D132-G164 WeakPolarHBondContact OD2-CA 3.49Å; K161-G164 PolarHBondContact O-N 3.46Å; T162-G164 PolarHBondContact O-N 3.14Å; G164-Y166 VanDerWaalsContact C-CE2 3.44Å; G164-Y166 WeakPolarHBondContact O-CD2 3.45Å; G164-Y166 WeakPolarHBondContact O-CE2 3.41Å
165	N	97.1	Very high	96.4	Very high	31 Å²	31	50.1 Å²	50.1	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.6	177.6	-168.5	-9	0	0	0	110.8	R131 D132	R131-N165 HydrophobicContact CB-CB 4.31Å; R131-N165 WeakPolarHBondContact CB-O 3.48Å; R131-N165 PolarHBondContact N-O 3.22Å; D132-N165 WeakPolarHBondContact OD1-CB 3.2Å; D132-N165 PolarHBondContact OD2-N 3.36Å
166	Y	98.4	Very high	96.3	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.1	-173.2	-59.3	-77.6	0	0	0	111.7	Y104 F105 C107 I129 D130 L137 L160 K161 G164	Y104-Y166 WeakPolarHBondContact CA-O 3.4Å; F105-Y166 HydrophobicContact CE2-CD2 4.1Å; F105-Y166 HydrophobicContact CE2-CG 4.14Å; F105-Y166 HydrophobicContact CZ-CG 4.35Å; F105-Y166 PolarHBondContact N-O 3.47Å; F105-Y166 PolarHBondContact O-N 3.47Å; C107-Y166 HydrophobicContact CB-CD2 3.96Å; C107-Y166 HydrophobicContact CB-CE2 3.61Å; I129-Y166 CarbonylContact O-C 3.4Å; I129-Y166 VanDerWaalsContact O-CA 3.3Å; I129-Y166 WeakPolarHBondContact O-CA 3.42Å; D130-Y166 HydrophobicContact CB-CD1 4.14Å; D130-Y166 HydrophobicContact CB-CE1 3.87Å; L137-Y166 HydrophobicContact CD1-CD1 4.08Å; L137-Y166 HydrophobicContact CD1-CE1 3.87Å; L160-Y166 HydrophobicContact CB-CE2 3.95Å; L160-Y166 HydrophobicContact CD2-CD1 3.89Å; L160-Y166 HydrophobicContact CD2-CD2 4.45Å; L160-Y166 HydrophobicContact CD2-CE1 3.73Å; L160-Y166 HydrophobicContact CD2-CE2 4.29Å; L160-Y166 HydrophobicContact CD2-CG 4.27Å; K161-Y166 PolarHBondContact N-OH 3.05Å; G164-Y166 VanDerWaalsContact C-CE2 3.44Å; G164-Y166 WeakPolarHBondContact O-CD2 3.45Å; G164-Y166 WeakPolarHBondContact O-CE2 3.41Å
167	S	98.4	Very high	96	Very high	8 Å²	8	48.1 Å²	48.1	6%	0.056	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	161.9	53.5	0	0	0	0	111	V103 V128 I129	V103-S167 CarbonylContact O-C 3.58Å; V103-S167 VanDerWaalsContact O-CA 3.23Å; V103-S167 WeakPolarHBondContact O-CA 3.44Å; V128-S167 CarbonylContact C-O 3.48Å; V128-S167 WeakPolarHBondContact CA-O 3.26Å; I129-S167 PolarHBondContact N-O 3.22Å; I129-S167 PolarHBondContact O-N 3.49Å
168	L	98.6	Very high	95.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.3	172.3	163.8	63.2	0	0	0	108.5	T102 V103 F105 I114 L116 P126 E127 V128 I154 L170	T102-L168 CarbonylContact C-O 3.56Å; T102-L168 VanDerWaalsContact CA-O 3.3Å; T102-L168 WeakPolarHBondContact CA-O 3.4Å; V103-L168 HydrophobicContact CG1-CB 3.8Å; V103-L168 HydrophobicContact CG1-CD2 4.23Å; V103-L168 HydrophobicContact CG1-CG 4.24Å; V103-L168 PolarHBondContact N-O 2.99Å; V103-L168 PolarHBondContact O-N 3.43Å; F105-L168 HydrophobicContact CE1-CB 3.74Å; I114-L168 HydrophobicContact CG2-CD2 4.12Å; L116-L168 HydrophobicContact CD1-CD2 3.59Å; P126-L168 HydrophobicContact CB-CD1 3.51Å; E127-L168 CarbonylContact O-C 3.5Å; E127-L168 WeakPolarHBondContact O-CA 3.3Å; V128-L168 HydrophobicContact CG2-CD1 3.83Å; I154-L168 HydrophobicContact CD1-CD1 3.78Å; I154-L168 HydrophobicContact CD1-CD2 3.52Å; I154-L168 HydrophobicContact CD1-CG 4.31Å; L168-L170 HydrophobicContact CD1-CD2 3.97Å; L168-L170 HydrophobicContact CD1-CG 4.12Å; L168-L170 HydrophobicContact CD2-CD1 4.26Å; L168-L170 HydrophobicContact CG-CD1 4.35Å; L168-L170 HydrophobicContact CG-CD2 4.45Å; L168-L170 HydrophobicContact CG-CG 4.1Å
169	S	98.5	Very high	95.1	Very high	32 Å²	32	49.6 Å²	49.6	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.2	175.5	-47.4	0	0	0	0	110	S101 T102 E127	S101-S169 WeakPolarHBondContact O-CA 3.37Å; T102-S169 PolarHBondContact OG1-OG 2.9Å; E127-S169 PolarHBondContact N-O 3.41Å; E127-S169 PolarHBondContact O-N 2.85Å
170	L	98.1	Very high	94.7	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.6	179.5	-63.6	171.6	0	0	0	109.2	S100 S101 L116 V123 P126 L152 I154 L168 P220	S100-L170 CarbonylContact C-O 3.58Å; S100-L170 WeakPolarHBondContact CA-O 3.34Å; S100-L170 WeakPolarHBondContact CB-O 3.46Å; S101-L170 PolarHBondContact N-O 3.5Å; S101-L170 PolarHBondContact O-N 3.24Å; L116-L170 HydrophobicContact CD1-CD1 3.89Å; V123-L170 HydrophobicContact CG1-CB 4.38Å; V123-L170 HydrophobicContact CG1-CD2 3.88Å; P126-L170 HydrophobicContact CB-CD2 3.67Å; L152-L170 HydrophobicContact CD2-CD1 4.09Å; I154-L170 HydrophobicContact CD1-CD2 4.49Å; L168-L170 HydrophobicContact CD1-CD2 3.97Å; L168-L170 HydrophobicContact CD1-CG 4.12Å; L168-L170 HydrophobicContact CD2-CD1 4.26Å; L168-L170 HydrophobicContact CG-CD1 4.35Å; L168-L170 HydrophobicContact CG-CD2 4.45Å; L168-L170 HydrophobicContact CG-CG 4.1Å; L170-P220 HydrophobicContact CD1-CB 3.66Å; L170-P220 HydrophobicContact CD1-CG 4Å
171	S	98.3	Very high	94.3	Very high	61 Å²	61	51.1 Å²	51.1	43%	0.427	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.5	165.4	-58.4	0	0	0	0	108	G99 S124	G99-S171 WeakPolarHBondContact O-CA 3.46Å; S124-S171 WeakPolarHBondContact CB-O 3.48Å; S124-S171 PolarHBondContact N-O 3.01Å
172	F	98.1	Very high	94.3	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.5	-172.1	49.6	-93.2	0	0	0	112.1	L74 F97 G99 L121 S122 V123 L218 F219 P220	L74-F172 HydrophobicContact CD2-CE2 4.09Å; L74-F172 HydrophobicContact CD2-CZ 4.31Å; F97-F172 HydrophobicContact CE2-CD2 4.35Å; F97-F172 HydrophobicContact CE2-CE2 4.12Å; G99-F172 PolarHBondContact N-O 3.25Å; G99-F172 PolarHBondContact O-N 3.34Å; L121-F172 HydrophobicContact CD1-CD2 4.33Å; L121-F172 HydrophobicContact CD2-CD2 4.3Å; S122-F172 WeakPolarHBondContact O-CA 3.32Å; V123-F172 HydrophobicContact CG2-CB 4.3Å; F172-L218 VanDerWaalsContact CE2-O 3.26Å; F172-L218 WeakPolarHBondContact CE2-O 3.27Å; F172-F219 HydrophobicContact CE1-CB 3.83Å; F172-F219 HydrophobicContact CE2-CB 3.91Å; F172-F219 HydrophobicContact CZ-CB 3.32Å; F172-P220 VanDerWaalsContact CD1-CD 3.43Å; F172-P220 HydrophobicContact CD1-CG 4.18Å
173	D	97.8	Very high	94.4	Very high	72 Å²	72	41.2 Å²	41.2	39%	0.385	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.3	174.7	-51.6	-54	0	0	0	109.2	N98 S122	N98-D173 PolarHBondContact ND2-OD1 2.58Å; S122-D173 PolarHBondContact N-O 3.15Å; S122-D173 PolarHBondContact O-N 2.93Å
174	G	96.5	Very high	94.5	Very high	8 Å²	8	35.9 Å²	35.9	8%	0.082	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	170	178.9	0	0	0	0	0	112.6	F97	F97-G174 WeakPolarHBondContact CD1-O 3.15Å; F97-G174 VanDerWaalsContact CE1-C 3.47Å; F97-G174 PolarHBondContact N-O 3.34Å; F97-G174 PolarHBondContact O-N 3.46Å
175	E	95.9	Very high	94.4	Very high	131 Å²	131	36.6 Å²	36.6	61%	0.612	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.9	178.1	-157.5	169.9	-165.5	0	0	110.2	L95 F96 F97 S177	L95-E175 WeakPolarHBondContact O-CA 3.32Å; L95-E175 WeakPolarHBondContact O-CG 3.26Å; F96-E175 HydrophobicContact CD1-CG 4.45Å; F96-E175 HydrophobicContact CE1-CG 4.23Å; F97-E175 WeakPolarHBondContact CE1-O 3.34Å; E175-S177 PolarHBondContact O-N 2.9Å
176	I	95.4	Very high	94.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.18	C	C	.	.			trans	-79.7	117.9	173	-58.3	176.4	0	0	0	106.9	P76 F78 L95 F97 L183 V185 V206	P76-I176 HydrophobicContact CB-CD1 4.1Å; F78-I176 HydrophobicContact CB-CD1 4.39Å; L95-I176 HydrophobicContact CB-CB 4.11Å; L95-I176 HydrophobicContact CD2-CB 4.27Å; L95-I176 HydrophobicContact CD2-CG2 4.32Å; L95-I176 PolarHBondContact O-N 2.88Å; F97-I176 HydrophobicContact CD1-CG1 4.15Å; I176-L183 HydrophobicContact CG1-CD2 4.11Å; I176-V185 HydrophobicContact CG2-CB 3.95Å; I176-V206 HydrophobicContact CD1-CG2 4.21Å; I176-V206 HydrophobicContact CG2-CG2 4.29Å
177	S	91.6	Very high	93.6	Very high	18 Å²	18	39 Å²	39	13%	0.126	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-65.9	138.9	-175.4	-177.1	0	0	0	0	112.1	E175 Y179 Q181 L183 Y184 V185	E175-S177 PolarHBondContact O-N 2.9Å; S177-Y179 VanDerWaalsContact C-N 3.31Å; S177-Y179 PolarHBondContact OG-N 2.85Å; S177-Q181 VanDerWaalsContact CB-O 3.3Å; S177-Q181 WeakPolarHBondContact CB-O 3.48Å; S177-L183 PolarHBondContact N-O 3.34Å; S177-Y184 CarbonylContact O-C 3.26Å; S177-Y184 WeakPolarHBondContact O-CA 3.5Å; S177-Y184 VanDerWaalsContact O-CB 3.27Å; S177-Y184 WeakPolarHBondContact O-CB 3.19Å; S177-V185 PolarHBondContact O-N 3.37Å
178	E	87.1	Confident	93	Very high	129 Å²	129	39.3 Å²	39.3	60%	0.603	20%	0.197	S	C	*	.	S	Bend	trans	-89.5	0.2	167.1	-62.9	-174.3	100.2	0	0	112.1	L95 V185	L95-E178 HydrophobicContact CD1-CG 3.6Å; E178-V185 HydrophobicContact CG-CG1 4.25Å
179	Y	81	Confident	92.2	Very high	124 Å²	124	42.9 Å²	42.9	49%	0.486	22%	0.219	S	C	.	.	S	Bend	trans	-114.8	30.5	-170.9	-54.2	-80	0	0	0	113.4	S177 Q181 L841 Q874	S177-Y179 VanDerWaalsContact C-N 3.31Å; S177-Y179 PolarHBondContact OG-N 2.85Å; Y179-Q181 PolarHBondContact O-N 2.84Å; Y179-L841 HydrophobicContact CD1-CD2 4.37Å; Y179-Q874 HydrophobicContact CE1-CG 4.48Å
180	L	85.9	Confident	91.1	Very high	24 Å²	24	42.5 Å²	42.5	13%	0.126	21%	0.214	C	C	.	.	S	Bend	trans	58.3	19.7	171.9	-49.4	-177.9	0	0	0	116.8	Y184 D342 E344 M842	L180-Y184 HydrophobicContact CB-CD2 4.43Å; L180-Y184 HydrophobicContact CD2-CD2 3.54Å; L180-Y184 HydrophobicContact CD2-CE2 3.61Å; L180-Y184 HydrophobicContact CD2-CG 4.41Å; L180-D342 HydrophobicContact CD1-CB 4.21Å; L180-D342 HydrophobicContact CD2-CB 3.58Å; L180-E344 HydrophobicContact CB-CB 4.1Å; L180-E344 HydrophobicContact CD1-CB 4.33Å; L180-M842 HydrophobicContact CD1-CB 4.45Å
181	Q	86.3	Confident	89.7	Confident	90 Å²	90	45 Å²	45	42%	0.421	23%	0.23	S	C	.	.	S	Bend	trans	-117.7	152.7	-178.9	-70	175.7	-3.7	0	0	112	S177 Y179 L183	S177-Q181 VanDerWaalsContact CB-O 3.3Å; S177-Q181 WeakPolarHBondContact CB-O 3.48Å; Y179-Q181 PolarHBondContact O-N 2.84Å; Q181-L183 PolarHBondContact O-N 3.42Å
182	A	94.5	Very high	87.8	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.4	-119.9	179.8	0	0	0	0	0	111.5	T208 N209 R217	A182-T208 CarbonylContact O-C 3.51Å; A182-T208 WeakPolarHBondContact O-CA 3.44Å; A182-N209 WeakPolarHBondContact CA-O 3.19Å; A182-N209 PolarHBondContact N-O 3.45Å; A182-N209 PolarHBondContact O-N 3.04Å; A182-R217 HydrophobicContact CB-CB 3.46Å; A182-R217 VanDerWaalsContact CB-CB 3.46Å; A182-R217 HydrophobicContact CB-CG 4.38Å
183	L	97.5	Very high	85.7	Confident	2 Å²	2	50 Å²	50	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.7	167.6	-169.7	69.4	0	0	0	108.7	P76 F97 I176 S177 Q181 V206 T208 L218 L277	P76-L183 HydrophobicContact CB-CD2 4.31Å; P76-L183 HydrophobicContact CG-CD2 4.09Å; F97-L183 HydrophobicContact CB-CD2 4.14Å; F97-L183 HydrophobicContact CD1-CD2 3.64Å; F97-L183 HydrophobicContact CD2-CD2 4.31Å; F97-L183 HydrophobicContact CE1-CB 4.48Å; F97-L183 HydrophobicContact CE1-CD2 4.04Å; F97-L183 HydrophobicContact CG-CD2 3.78Å; I176-L183 HydrophobicContact CG1-CD2 4.11Å; S177-L183 PolarHBondContact N-O 3.34Å; Q181-L183 PolarHBondContact O-N 3.42Å; L183-V206 HydrophobicContact CD1-CG1 3.31Å; L183-V206 HydrophobicContact CD2-CG1 4.28Å; L183-V206 HydrophobicContact CG-CG1 3.62Å; L183-T208 HydrophobicContact CD1-CG2 3.62Å; L183-L218 HydrophobicContact CB-CD1 3.79Å; L183-L218 HydrophobicContact CD1-CD1 4.12Å; L183-L218 HydrophobicContact CD2-CD1 4.28Å; L183-L218 HydrophobicContact CG-CD1 4.29Å; L183-L277 HydrophobicContact CD1-CD2 4.31Å
184	Y	95	Very high	83.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.9	-174.5	70.4	-90.3	0	0	0	113	S177 L180 V206 A207 N209 L340 D342 L343	S177-Y184 CarbonylContact O-C 3.26Å; S177-Y184 WeakPolarHBondContact O-CA 3.5Å; S177-Y184 VanDerWaalsContact O-CB 3.27Å; S177-Y184 WeakPolarHBondContact O-CB 3.19Å; L180-Y184 HydrophobicContact CB-CD2 4.43Å; L180-Y184 HydrophobicContact CD2-CD2 3.54Å; L180-Y184 HydrophobicContact CD2-CE2 3.61Å; L180-Y184 HydrophobicContact CD2-CG 4.41Å; Y184-V206 VanDerWaalsContact O-CA 3.27Å; Y184-V206 WeakPolarHBondContact O-CA 3Å; Y184-A207 WeakPolarHBondContact CD1-O 3.42Å; Y184-A207 HydrophobicContact CE1-CB 3.86Å; Y184-A207 HydrophobicContact CE2-CB 4.07Å; Y184-A207 PolarHBondContact N-O 2.77Å; Y184-A207 PolarHBondContact O-N 3.08Å; Y184-N209 HydrophobicContact CE1-CB 4.01Å; Y184-L340 WeakPolarHBondContact OH-CD1 3.47Å; Y184-D342 WeakPolarHBondContact CE2-O 3.31Å; Y184-D342 PolarHBondContact OH-O 2.88Å; Y184-L343 WeakPolarHBondContact OH-CD1 3.42Å
185	V	93.6	Very high	81.2	Confident	20 Å²	20	59.3 Å²	59.3	12%	0.121	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	138	173.7	64.8	0	0	0	0	110.1	L95 I176 S177 E178 F204 L205	L95-V185 HydrophobicContact CD1-CG1 4.29Å; L95-V185 HydrophobicContact CD2-CB 3.87Å; L95-V185 HydrophobicContact CD2-CG1 3.71Å; L95-V185 HydrophobicContact CD2-CG2 4.12Å; I176-V185 HydrophobicContact CG2-CB 3.95Å; S177-V185 PolarHBondContact O-N 3.37Å; E178-V185 HydrophobicContact CG-CG1 4.25Å; V185-F204 HydrophobicContact CG2-CB 4.4Å; V185-F204 HydrophobicContact CG2-CD1 3.91Å; V185-L205 WeakPolarHBondContact CA-O 3.35Å
186	S	90.3	Very high	78.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.007	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.4	170.5	167.7	0	0	0	0	109.8	F204 L205 D342	S186-F204 WeakPolarHBondContact O-CA 3.39Å; S186-L205 PolarHBondContact N-O 3.46Å; S186-L205 PolarHBondContact O-N 2.91Å; S186-D342 WeakPolarHBondContact CB-OD2 3.47Å; S186-D342 PolarHBondContact OG-N 2.89Å; S186-D342 PolarHBondContact OG-OD2 3.28Å
187	K	87.2	Confident	76.6	Confident	86 Å²	86	66.3 Å²	66.3	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.2	-175.2	169	-180	148.8	175.1	0	110	E202 R203 F204 D342 D837	K187-E202 HydrophobicContact CD-CG 3.87Å; K187-E202 WeakPolarHBondContact CD-OE1 3.3Å; K187-E202 WeakPolarHBondContact CE-OE1 3.11Å; K187-E202 HydrophobicContact CG-CG 3.89Å; K187-E202 IonicContact NZ-OE1 3.18Å; K187-E202 PolarHBondContact NZ-OE1 3.04Å; K187-R203 WeakPolarHBondContact CA-O 3.43Å; K187-F204 HydrophobicContact CB-CD1 4.32Å; K187-F204 HydrophobicContact CB-CE1 4.26Å; K187-F204 HydrophobicContact CD-CE1 4.43Å; K187-F204 HydrophobicContact CG-CE1 4.4Å; K187-D342 PolarHBondContact N-OD2 3.21Å; K187-D837 IonicContact NZ-OD1 2.76Å
188	Y	85.7	Confident	74.7	Confident	13 Å²	13	71.1 Å²	71.1	5%	0.051	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	168.2	171.8	67	-83.7	0	0	0	111.5	E190 R203 L205 F282 R299 P341	Y188-E190 HydrophobicContact CE2-CB 4.39Å; Y188-R203 HydrophobicContact CD1-CB 3.8Å; Y188-R203 HydrophobicContact CD2-CB 3.77Å; Y188-R203 HydrophobicContact CD2-CG 4.19Å; Y188-R203 HydrophobicContact CE1-CB 3.4Å; Y188-R203 HydrophobicContact CE1-CG 4.42Å; Y188-R203 HydrophobicContact CE2-CB 3.43Å; Y188-R203 VanDerWaalsContact CE2-CB 3.43Å; Y188-R203 HydrophobicContact CE2-CG 3.63Å; Y188-R203 HydrophobicContact CG-CB 3.98Å; Y188-R203 PolarHBondContact N-O 2.89Å; Y188-R203 PolarHBondContact O-N 3.09Å; Y188-L205 HydrophobicContact CD1-CD2 4.29Å; Y188-L205 HydrophobicContact CE1-CD2 4.19Å; Y188-F282 HydrophobicContact CD1-CE1 4.41Å; Y188-F282 AromaticContact CE1-CE1 3.75Å; Y188-F282 HydrophobicContact CE1-CE1 3.75Å; Y188-F282 HydrophobicContact CE1-CZ 4.49Å; Y188-F282 AromaticContact CZ-CE1 3.78Å; Y188-R299 HydrophobicContact CD2-CG 3.88Å; Y188-R299 HydrophobicContact CE2-CB 4.49Å; Y188-R299 HydrophobicContact CE2-CG 3.88Å; Y188-R299 VanDerWaalsContact CG-CD 3.45Å; Y188-R299 HydrophobicContact CG-CG 4.26Å; Y188-P341 HydrophobicContact CD1-CG 4.18Å; Y188-P341 HydrophobicContact CG-CG 4.24Å
189	T	82	Confident	73.4	Confident	76 Å²	76	67.9 Å²	67.9	47%	0.466	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.5	174.9	49.5	0	0	0	0	110.5	I200 Q201 R299	T189-I200 HydrophobicContact CG2-CG2 3.8Å; T189-Q201 WeakPolarHBondContact CA-O 3.43Å; T189-R299 PolarHBondContact O-NH1 3.33Å
190	E	74.8	Confident	72.8	Confident	24 Å²	24	67.9 Å²	67.9	11%	0.112	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.2	175.8	-174.3	179.8	-135.4	0	0	108.9	Y188 Q201 R203 P300 E301	Y188-E190 HydrophobicContact CE2-CB 4.39Å; E190-Q201 PolarHBondContact N-O 2.62Å; E190-Q201 PolarHBondContact O-N 3.09Å; E190-R203 HydrophobicContact CB-CG 3.95Å; E190-R203 IonicContact OE2-CZ 2.96Å; E190-R203 IonicContact OE2-NE 3.19Å; E190-R203 PolarHBondContact OE2-NE 2.82Å; E190-R203 IonicContact OE2-NH2 3.09Å; E190-R203 PolarHBondContact OE2-NH2 2.86Å; E190-P300 WeakPolarHBondContact OE1-CG 3.32Å; E190-E301 WeakPolarHBondContact CA-OE1 3.24Å; E190-E301 HydrophobicContact CG-CG 4.23Å
191	T	68.7	Low	72.3	Confident	60 Å²	60	69.2 Å²	69.2	37%	0.368	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.8	175.5	-49	0	0	0	0	108.7	L193 E301	T191-L193 PolarHBondContact O-N 2.83Å; T191-E301 WeakPolarHBondContact CB-OE1 3.3Å; T191-E301 PolarHBondContact N-OE1 2.83Å
192	D	59.2	Low	72.1	Confident	20 Å²	20	68.2 Å²	68.2	11%	0.107	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	100.6	-179	-162.9	-26.9	0	0	0	110.8	D194 F195 T199 Q201	D192-D194 PolarHBondContact O-N 2.87Å; D192-D194 PolarHBondContact OD1-N 2.86Å; D192-D194 VanDerWaalsContact OD1-N 3.11Å; D192-F195 HydrophobicContact CB-CD2 4.22Å; D192-F195 VanDerWaalsContact CG-CD2 3.46Å; D192-F195 VanDerWaalsContact OD2-CD2 3.26Å; D192-F195 WeakPolarHBondContact OD2-CD2 3.4Å; D192-F195 VanDerWaalsContact OD2-CE2 3.29Å; D192-F195 WeakPolarHBondContact OD2-CE2 3.38Å; D192-T199 PolarHBondContact N-O 3.07Å; D192-Q201 PolarHBondContact OD2-NE2 3.36Å
193	L	53.5	Low	71.8	Confident	145 Å²	145	68.1 Å²	68.1	76%	0.759	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.4	179.9	-65.7	173.5	0	0	0	113.6	T191	T191-L193 PolarHBondContact O-N 2.83Å
194	D	52.7	Low	71.5	Confident	152 Å²	152	69 Å²	69	81%	0.813	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-11.8	-177.4	-74.2	-32.5	0	0	0	113	D192	D192-D194 PolarHBondContact O-N 2.87Å; D192-D194 PolarHBondContact OD1-N 2.86Å; D192-D194 VanDerWaalsContact OD1-N 3.11Å
195	F	48.3	Very low	71.6	Confident	125 Å²	125	69 Å²	69	55%	0.548	36%	0.364	S	S	.	.	S	Bend	trans	-98.6	140.8	173.9	-73.1	-90.3	0	0	0	111.8	D192 N197	D192-F195 HydrophobicContact CB-CD2 4.22Å; D192-F195 VanDerWaalsContact CG-CD2 3.46Å; D192-F195 VanDerWaalsContact OD2-CD2 3.26Å; D192-F195 WeakPolarHBondContact OD2-CD2 3.4Å; D192-F195 VanDerWaalsContact OD2-CE2 3.29Å; D192-F195 WeakPolarHBondContact OD2-CE2 3.38Å; F195-N197 PolarHBondContact O-N 3.48Å
196	V	46.2	Very low	71.7	Confident	147 Å²	147	68 Å²	68	89%	0.891	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	1.6	-173.1	-179.6	0	0	0	0	114.4
197	N	47.5	Very low	72.1	Confident	133 Å²	133	68 Å²	68	71%	0.711	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	26.7	-167.8	-93.8	5	0	0	0	115.7	F195 T199	F195-N197 PolarHBondContact O-N 3.48Å; N197-T199 VanDerWaalsContact C-N 3.25Å; N197-T199 HydrophobicContact CB-CG2 4.49Å; N197-T199 PolarHBondContact O-N 2.87Å
198	D	51.9	Low	72.6	Confident	118 Å²	118	63.9 Å²	63.9	63%	0.631	34%	0.34	S	S	*	.			trans	42.8	50.1	174.9	-65.6	-30.4	0	0	0	113.1	I200	D198-I200 PolarHBondContact O-N 3.06Å
199	T	59.2	Low	73.1	Confident	61 Å²	61	63.8 Å²	63.8	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118	-176.2	40.5	0	0	0	0	110.4	D192 N197 Q201	D192-T199 PolarHBondContact N-O 3.07Å; N197-T199 VanDerWaalsContact C-N 3.25Å; N197-T199 HydrophobicContact CB-CG2 4.49Å; N197-T199 PolarHBondContact O-N 2.87Å; T199-Q201 PolarHBondContact O-N 3.09Å
200	I	68.3	Low	73.9	Confident	124 Å²	124	60.2 Å²	60.2	64%	0.636	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	120.9	170	-59.1	173.3	0	0	0	108.5	T189 D198	T189-I200 HydrophobicContact CG2-CG2 3.8Å; D198-I200 PolarHBondContact O-N 3.06Å
201	Q	75.7	Confident	74.9	Confident	52 Å²	52	60.3 Å²	60.3	24%	0.243	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.8	175.8	-68.6	-175.3	16.9	0	0	111	T189 E190 D192 T199	T189-Q201 WeakPolarHBondContact CA-O 3.43Å; E190-Q201 PolarHBondContact N-O 2.62Å; E190-Q201 PolarHBondContact O-N 3.09Å; D192-Q201 PolarHBondContact OD2-NE2 3.36Å; T199-Q201 PolarHBondContact O-N 3.09Å
202	E	82.1	Confident	76.2	Confident	69 Å²	69	57.8 Å²	57.8	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.7	171.8	-168.8	176.5	-108.5	0	0	110.3	I82 K187 F204	I82-E202 WeakPolarHBondContact CD1-OE2 3.34Å; K187-E202 HydrophobicContact CD-CG 3.87Å; K187-E202 WeakPolarHBondContact CD-OE1 3.3Å; K187-E202 WeakPolarHBondContact CE-OE1 3.11Å; K187-E202 HydrophobicContact CG-CG 3.89Å; K187-E202 IonicContact NZ-OE1 3.18Å; K187-E202 PolarHBondContact NZ-OE1 3.04Å; E202-F204 HydrophobicContact CG-CE2 3.82Å; E202-F204 HydrophobicContact CG-CZ 3.83Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.45Å; E202-F204 WeakPolarHBondContact OE2-CZ 3.45Å
203	R	88.4	Confident	77.9	Confident	3 Å²	3	57.2 Å²	57.2	1%	0.011	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	-179.4	-64.1	-67.6	-167.7	-121.4	-7.5	110.3	S80 R81 K187 Y188 E190 E281	S80-R203 WeakPolarHBondContact O-CA 3.33Å; R81-R203 VanDerWaalsContact CG-NH1 3.25Å; R81-R203 VanDerWaalsContact NE-CZ 3.29Å; K187-R203 WeakPolarHBondContact CA-O 3.43Å; Y188-R203 HydrophobicContact CD1-CB 3.8Å; Y188-R203 HydrophobicContact CD2-CB 3.77Å; Y188-R203 HydrophobicContact CD2-CG 4.19Å; Y188-R203 HydrophobicContact CE1-CB 3.4Å; Y188-R203 HydrophobicContact CE1-CG 4.42Å; Y188-R203 HydrophobicContact CE2-CB 3.43Å; Y188-R203 VanDerWaalsContact CE2-CB 3.43Å; Y188-R203 HydrophobicContact CE2-CG 3.63Å; Y188-R203 HydrophobicContact CG-CB 3.98Å; Y188-R203 PolarHBondContact N-O 2.89Å; Y188-R203 PolarHBondContact O-N 3.09Å; E190-R203 HydrophobicContact CB-CG 3.95Å; E190-R203 IonicContact OE2-CZ 2.96Å; E190-R203 IonicContact OE2-NE 3.19Å; E190-R203 PolarHBondContact OE2-NE 2.82Å; E190-R203 IonicContact OE2-NH2 3.09Å; E190-R203 PolarHBondContact OE2-NH2 2.86Å; R203-E281 IonicContact NE-OE2 2.8Å
204	F	92.1	Very high	80	Confident	20 Å²	20	51.2 Å²	51.2	9%	0.088	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.8	179.9	-59.6	-92.7	0	0	0	111.2	F78 S80 I82 Q93 V185 S186 K187 E202	F78-F204 HydrophobicContact CD2-CB 4.32Å; F78-F204 HydrophobicContact CE2-CB 4.45Å; S80-F204 WeakPolarHBondContact CA-O 3.39Å; S80-F204 PolarHBondContact O-N 2.83Å; I82-F204 HydrophobicContact CD1-CE2 3.8Å; I82-F204 HydrophobicContact CD1-CZ 3.94Å; I82-F204 HydrophobicContact CG1-CE2 3.78Å; I82-F204 HydrophobicContact CG1-CZ 4.37Å; Q93-F204 VanDerWaalsContact NE2-CD2 3.31Å; V185-F204 HydrophobicContact CG2-CB 4.4Å; V185-F204 HydrophobicContact CG2-CD1 3.91Å; S186-F204 WeakPolarHBondContact O-CA 3.39Å; K187-F204 HydrophobicContact CB-CD1 4.32Å; K187-F204 HydrophobicContact CB-CE1 4.26Å; K187-F204 HydrophobicContact CD-CE1 4.43Å; K187-F204 HydrophobicContact CG-CE1 4.4Å; E202-F204 HydrophobicContact CG-CE2 3.82Å; E202-F204 HydrophobicContact CG-CZ 3.83Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.45Å; E202-F204 WeakPolarHBondContact OE2-CZ 3.45Å
205	L	95.4	Very high	82.2	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.2	167.1	67.9	88.3	0	0	0	109.7	V185 S186 Y188 A207 I279 F282 L340 P341	V185-L205 WeakPolarHBondContact CA-O 3.35Å; S186-L205 PolarHBondContact N-O 3.46Å; S186-L205 PolarHBondContact O-N 2.91Å; Y188-L205 HydrophobicContact CD1-CD2 4.29Å; Y188-L205 HydrophobicContact CE1-CD2 4.19Å; L205-A207 HydrophobicContact CD1-CB 3.97Å; L205-I279 WeakPolarHBondContact CA-O 3.22Å; L205-I279 WeakPolarHBondContact CB-O 3.36Å; L205-F282 HydrophobicContact CD2-CE1 3.67Å; L205-F282 HydrophobicContact CD2-CE2 3.97Å; L205-F282 HydrophobicContact CD2-CZ 3.25Å; L205-L340 HydrophobicContact CD1-CD2 4.08Å; L205-L340 HydrophobicContact CD2-CD2 4.4Å; L205-P341 HydrophobicContact CD2-CG 4.29Å
206	V	96.8	Very high	84.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.7	169.3	171.2	0	0	0	0	108.8	F78 I176 L183 Y184 T278 I279	F78-V206 HydrophobicContact CB-CG2 4.44Å; F78-V206 HydrophobicContact CD1-CB 4.36Å; F78-V206 HydrophobicContact CD1-CG2 3.5Å; F78-V206 VanDerWaalsContact CD1-CG2 3.5Å; F78-V206 HydrophobicContact CD2-CG2 3.94Å; F78-V206 HydrophobicContact CE1-CB 3.97Å; F78-V206 HydrophobicContact CE1-CG2 3.56Å; F78-V206 HydrophobicContact CE2-CG2 4Å; F78-V206 HydrophobicContact CG-CG2 3.69Å; F78-V206 HydrophobicContact CZ-CB 4.14Å; F78-V206 HydrophobicContact CZ-CG2 3.82Å; I176-V206 HydrophobicContact CD1-CG2 4.21Å; I176-V206 HydrophobicContact CG2-CG2 4.29Å; L183-V206 HydrophobicContact CD1-CG1 3.31Å; L183-V206 HydrophobicContact CD2-CG1 4.28Å; L183-V206 HydrophobicContact CG-CG1 3.62Å; Y184-V206 VanDerWaalsContact O-CA 3.27Å; Y184-V206 WeakPolarHBondContact O-CA 3Å; V206-T278 CarbonylContact O-C 3.53Å; V206-T278 VanDerWaalsContact O-CA 3.26Å; V206-T278 WeakPolarHBondContact O-CA 3.48Å; V206-I279 PolarHBondContact N-O 2.84Å; V206-I279 PolarHBondContact O-N 3.02Å
207	A	97.9	Very high	87	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	169.9	177.5	0	0	0	0	0	110.5	Y184 L205 L277 T278 L340	Y184-A207 WeakPolarHBondContact CD1-O 3.42Å; Y184-A207 HydrophobicContact CE1-CB 3.86Å; Y184-A207 HydrophobicContact CE2-CB 4.07Å; Y184-A207 PolarHBondContact N-O 2.77Å; Y184-A207 PolarHBondContact O-N 3.08Å; L205-A207 HydrophobicContact CD1-CB 3.97Å; A207-L277 CarbonylContact C-O 3.51Å; A207-L277 VanDerWaalsContact CA-O 3.3Å; A207-L277 WeakPolarHBondContact CA-O 3.48Å; A207-T278 HydrophobicContact CB-CG2 3.96Å; A207-L340 HydrophobicContact CB-CD1 3.86Å; A207-L340 HydrophobicContact CB-CD2 4.35Å
208	T	98.1	Very high	89.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.9	174.6	54.7	0	0	0	0	112.7	A182 L183 L218 A276 L277	A182-T208 CarbonylContact O-C 3.51Å; A182-T208 WeakPolarHBondContact O-CA 3.44Å; L183-T208 HydrophobicContact CD1-CG2 3.62Å; T208-L218 HydrophobicContact CG2-CD1 4.37Å; T208-L218 HydrophobicContact CG2-CD2 4.33Å; T208-A276 VanDerWaalsContact OG1-CA 3.31Å; T208-A276 WeakPolarHBondContact OG1-CA 3.24Å; T208-L277 HydrophobicContact CG2-CB 3.87Å; T208-L277 PolarHBondContact N-O 2.92Å; T208-L277 PolarHBondContact OG1-N 3.31Å; T208-L277 PolarHBondContact OG1-O 2.95Å
209	N	96.8	Very high	91.6	Very high	11 Å²	11	21.8 Å²	21.8	6%	0.059	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	106.7	164.9	-176.3	26.3	0	0	0	108.6	A182 Y184	A182-N209 WeakPolarHBondContact CA-O 3.19Å; A182-N209 PolarHBondContact N-O 3.45Å; A182-N209 PolarHBondContact O-N 3.04Å; Y184-N209 HydrophobicContact CE1-CB 4.01Å
210	L	97.8	Very high	93.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.			trans	-108.7	-14.9	-167.3	-56.5	-166.8	0	0	0	114.4	P212 T213 S214 A215 L218 L275	L210-P212 CarbonylContact O-C 3.37Å; L210-T213 PolarHBondContact O-N 3.16Å; L210-S214 WeakPolarHBondContact O-CA 3.37Å; L210-S214 WeakPolarHBondContact O-CB 3.41Å; L210-S214 PolarHBondContact O-N 3.19Å; L210-A215 HydrophobicContact CB-CB 4.31Å; L210-A215 HydrophobicContact CD1-CB 3.93Å; L210-L218 HydrophobicContact CD1-CD2 3.97Å; L210-L218 HydrophobicContact CD2-CB 4.31Å; L210-L218 HydrophobicContact CD2-CD2 4.31Å; L210-L275 HydrophobicContact CD1-CB 3.88Å; L210-L275 WeakPolarHBondContact CD1-O 3.43Å; L210-L275 WeakPolarHBondContact CG-O 3.46Å
211	E	96.8	Very high	94.9	Very high	26 Å²	26	13 Å²	13	12%	0.121	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	143.4	176.2	-161.9	176.2	-144.6	0	0	111.5	Y273 M348 W398 F466	E211-Y273 HydrophobicContact CB-CD2 3.9Å; E211-Y273 HydrophobicContact CG-CD2 3.73Å; E211-Y273 HydrophobicContact CG-CE2 4.22Å; E211-Y273 HydrophobicContact CG-CG 4.48Å; E211-Y273 WeakPolarHBondContact OE1-CE2 3.3Å; E211-M348 HydrophobicContact CB-CE 3.62Å; E211-M348 HydrophobicContact CB-SD 3.65Å; E211-M348 HydrophobicContact CG-CE 4.23Å; E211-W398 HydrophobicContact CG-CH2 3.95Å; E211-W398 HydrophobicContact CG-CZ3 4.17Å; E211-W398 WeakPolarHBondContact OE1-CZ3 2.92Å; E211-F466 HydrophobicContact CG-CE1 4.29Å; E211-F466 HydrophobicContact CG-CZ 4.01Å; E211-F466 WeakPolarHBondContact OE1-CE1 3.24Å
212	P	95.4	Very high	96	Very high	8 Å²	8	10.8 Å²	10.8	5%	0.052	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.4	-33.3	-11.4	30.8	-32.5	0	0	0	113.3	L210 W398 I462 L463 F466	L210-P212 CarbonylContact O-C 3.37Å; P212-W398 HydrophobicContact CB-CD2 4.23Å; P212-W398 HydrophobicContact CB-CE3 4.26Å; P212-W398 HydrophobicContact CB-CH2 3.84Å; P212-W398 HydrophobicContact CB-CZ2 3.78Å; P212-W398 HydrophobicContact CB-CZ3 4.08Å; P212-W398 WeakPolarHBondContact O-CZ2 3.38Å; P212-I462 HydrophobicContact CB-CG2 3.5Å; P212-I462 VanDerWaalsContact CB-CG2 3.5Å; P212-I462 HydrophobicContact CG-CG2 3.63Å; P212-L463 HydrophobicContact CG-CD2 3.87Å; P212-L463 HydrophobicContact CG-CG 4.15Å; P212-F466 HydrophobicContact CB-CE2 4.02Å; P212-F466 HydrophobicContact CB-CZ 4.13Å; P212-F466 HydrophobicContact CG-CE2 4.26Å
213	T	95.9	Very high	96.7	Very high	8 Å²	8	7.6 Å²	7.6	5%	0.049	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	23.9	-167.3	54.8	0	0	0	0	112.6	L210 R216 T459 I462	L210-T213 PolarHBondContact O-N 3.16Å; T213-R216 WeakPolarHBondContact O-CD 3.25Å; T213-R216 VanDerWaalsContact O-CG 3.22Å; T213-R216 WeakPolarHBondContact O-CG 3.5Å; T213-R216 PolarHBondContact O-NE 3.19Å; T213-T459 WeakPolarHBondContact OG1-CG2 3.34Å; T213-T459 PolarHBondContact OG1-OG1 3.07Å; T213-I462 HydrophobicContact CG2-CD1 3.87Å
214	S	96.9	Very high	97.2	Very high	18 Å²	18	7.5 Å²	7.5	13%	0.126	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.5	-175.4	-75.8	0	0	0	0	113.8	L210 R216 R217	L210-S214 WeakPolarHBondContact O-CA 3.37Å; L210-S214 WeakPolarHBondContact O-CB 3.41Å; L210-S214 PolarHBondContact O-N 3.19Å; S214-R216 PolarHBondContact O-N 2.96Å; S214-R217 PolarHBondContact O-N 3.16Å; S214-R217 VanDerWaalsContact O-N 3.08Å
215	A	98.3	Very high	97.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.7	-33.1	177.1	0	0	0	0	0	112.1	L210 R217 L218 F219 D223	L210-A215 HydrophobicContact CB-CB 4.31Å; L210-A215 HydrophobicContact CD1-CB 3.93Å; A215-R217 PolarHBondContact O-N 2.84Å; A215-R217 VanDerWaalsContact O-N 3.16Å; A215-L218 WeakPolarHBondContact O-CB 3.24Å; A215-L218 PolarHBondContact O-N 2.88Å; A215-F219 PolarHBondContact O-N 2.89Å; A215-F219 VanDerWaalsContact O-N 3.15Å; A215-D223 VanDerWaalsContact CB-OD1 3.32Å; A215-D223 WeakPolarHBondContact CB-OD1 3.44Å
216	R	97.6	Very high	97.6	Very high	12 Å²	12	9 Å²	9	5%	0.045	5%	0.045	C	C	.	.	H	α-helix	trans	-61	-17.1	174.7	72.3	-169.6	62.4	-169.4	-4.7	115.5	H117 F119 L121 D150 T213 S214 D223	H117-R216 HydrophobicContact CB-CB 3.58Å; H117-R216 HydrophobicContact CB-CG 4.45Å; H117-R216 VanDerWaalsContact CD2-CZ 3.49Å; H117-R216 PolarHBondContact CD2-NH1 3.38Å; F119-R216 HydrophobicContact CB-CG 3.89Å; F119-R216 PolarHBondContact N-O 3.45Å; F119-R216 VanDerWaalsContact N-O 3.1Å; L121-R216 WeakPolarHBondContact CD1-O 3.27Å; D150-R216 WeakPolarHBondContact OD2-CD 3.49Å; D150-R216 IonicContact OD2-CZ 3.09Å; D150-R216 IonicContact OD2-NE 3.96Å; D150-R216 IonicContact OD2-NH1 2.62Å; D150-R216 PolarHBondContact OD2-NH1 2.98Å; T213-R216 WeakPolarHBondContact O-CD 3.25Å; T213-R216 VanDerWaalsContact O-CG 3.22Å; T213-R216 WeakPolarHBondContact O-CG 3.5Å; T213-R216 PolarHBondContact O-NE 3.19Å; S214-R216 PolarHBondContact O-N 2.96Å; R216-D223 HydrophobicContact CB-CB 4.31Å; R216-D223 IonicContact CZ-OD2 2.72Å; R216-D223 PolarHBondContact N-OD2 3.37Å; R216-D223 IonicContact NE-OD2 3.18Å; R216-D223 PolarHBondContact NE-OD2 3.14Å; R216-D223 PolarHBondContact NH2-O 3.17Å; R216-D223 IonicContact NH2-OD2 3.44Å
217	R	97.3	Very high	97.6	Very high	43 Å²	43	9.2 Å²	9.2	16%	0.162	5%	0.046	C	C	.	.	H	α-helix	trans	-90	-15.3	172.9	-69.5	173.7	97.7	-175	13.3	112.7	F119 E120 L121 A182 S214 A215	F119-R217 HydrophobicContact CB-CG 3.94Å; F119-R217 HydrophobicContact CD1-CG 3.59Å; F119-R217 HydrophobicContact CG-CG 4.25Å; F119-R217 WeakPolarHBondContact O-CA 3.33Å; E120-R217 IonicContact OE1-CZ 2.58Å; E120-R217 IonicContact OE1-NH2 3.39Å; E120-R217 PolarHBondContact OE1-NH2 3.15Å; E120-R217 VanDerWaalsContact OE1-NH2 3.09Å; E120-R217 IonicContact OE2-CZ 2.69Å; E120-R217 IonicContact OE2-NE 3.51Å; E120-R217 PolarHBondContact OE2-NE 3.21Å; E120-R217 IonicContact OE2-NH2 3Å; E120-R217 PolarHBondContact OE2-NH2 2.93Å; L121-R217 WeakPolarHBondContact CD2-O 3.39Å; A182-R217 HydrophobicContact CB-CB 3.46Å; A182-R217 VanDerWaalsContact CB-CB 3.46Å; A182-R217 HydrophobicContact CB-CG 4.38Å; S214-R217 PolarHBondContact O-N 3.16Å; S214-R217 VanDerWaalsContact O-N 3.08Å; A215-R217 PolarHBondContact O-N 2.84Å; A215-R217 VanDerWaalsContact O-N 3.16Å
218	L	98.1	Very high	97.6	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-88.5	-42.5	175.8	-175.8	69.5	0	0	0	111.2	L74 F97 F172 L183 T208 L210 A215 L275	L74-L218 HydrophobicContact CD1-CD1 3.76Å; L74-L218 HydrophobicContact CD1-CD2 4.24Å; L74-L218 HydrophobicContact CD1-CG 4.09Å; F97-L218 WeakPolarHBondContact CE2-O 3.07Å; F172-L218 VanDerWaalsContact CE2-O 3.26Å; F172-L218 WeakPolarHBondContact CE2-O 3.27Å; L183-L218 HydrophobicContact CB-CD1 3.79Å; L183-L218 HydrophobicContact CD1-CD1 4.12Å; L183-L218 HydrophobicContact CD2-CD1 4.28Å; L183-L218 HydrophobicContact CG-CD1 4.29Å; T208-L218 HydrophobicContact CG2-CD1 4.37Å; T208-L218 HydrophobicContact CG2-CD2 4.33Å; L210-L218 HydrophobicContact CD1-CD2 3.97Å; L210-L218 HydrophobicContact CD2-CB 4.31Å; L210-L218 HydrophobicContact CD2-CD2 4.31Å; A215-L218 WeakPolarHBondContact O-CB 3.24Å; A215-L218 PolarHBondContact O-N 2.88Å; L218-L275 HydrophobicContact CD2-CD2 4.11Å
219	F	98.4	Very high	97.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-160.4	153.1	175.3	64.3	-73.7	0	0	0	110.5	Y70 I72 F172 A215 C221 F231 L275	Y70-F219 AromaticContact CD1-CE2 3.83Å; Y70-F219 HydrophobicContact CD1-CE2 3.83Å; Y70-F219 AromaticContact CE1-CE2 4Å; Y70-F219 HydrophobicContact CE1-CE2 4Å; Y70-F219 HydrophobicContact CG-CE2 4.34Å; I72-F219 HydrophobicContact CD1-CD1 4.11Å; I72-F219 HydrophobicContact CD1-CD2 3.94Å; I72-F219 HydrophobicContact CD1-CE1 3.77Å; I72-F219 HydrophobicContact CD1-CE2 3.53Å; I72-F219 HydrophobicContact CD1-CG 4.22Å; I72-F219 HydrophobicContact CD1-CZ 3.46Å; I72-F219 VanDerWaalsContact CD1-CZ 3.46Å; I72-F219 HydrophobicContact CG1-CD2 4.32Å; I72-F219 HydrophobicContact CG1-CE2 4.25Å; F172-F219 HydrophobicContact CE1-CB 3.83Å; F172-F219 HydrophobicContact CE2-CB 3.91Å; F172-F219 HydrophobicContact CZ-CB 3.32Å; A215-F219 PolarHBondContact O-N 2.89Å; A215-F219 VanDerWaalsContact O-N 3.15Å; F219-C221 HydrophobicContact CD2-CB 3.84Å; F219-C221 HydrophobicContact CE2-CB 3.41Å; F219-C221 VanDerWaalsContact CE2-CB 3.41Å; F219-C221 HydrophobicContact CZ-CB 3.95Å; F219-C221 PolarHBondContact O-N 2.96Å; F219-F231 HydrophobicContact CE2-CE1 4.37Å; F219-F231 HydrophobicContact CZ-CD1 4.28Å; F219-F231 AromaticContact CZ-CE1 3.86Å; F219-F231 HydrophobicContact CZ-CE1 3.86Å; F219-L275 HydrophobicContact CD1-CD2 4.43Å; F219-L275 HydrophobicContact CE1-CD2 3.54Å; F219-L275 HydrophobicContact CZ-CD2 4.04Å
220	P	98.3	Very high	97.8	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.013	5%	0.054	C	C	.	.			trans	-65.9	125.7	176	-21.1	34.1	0	0	0	111.4	L116 H117 L121 V123 L152 L170 F172	L116-P220 HydrophobicContact CD1-CB 4.47Å; H117-P220 CarbonylContact O-C 3.57Å; H117-P220 VanDerWaalsContact O-CA 3.28Å; H117-P220 WeakPolarHBondContact O-CA 3.33Å; L121-P220 HydrophobicContact CD1-CG 4.14Å; V123-P220 HydrophobicContact CG1-CG 4.41Å; V123-P220 HydrophobicContact CG2-CG 3.8Å; L152-P220 HydrophobicContact CD2-CB 4.15Å; L170-P220 HydrophobicContact CD1-CB 3.66Å; L170-P220 HydrophobicContact CD1-CG 4Å; F172-P220 VanDerWaalsContact CD1-CD 3.43Å; F172-P220 HydrophobicContact CD1-CG 4.18Å
221	C	98.6	Very high	97.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-155.1	165.3	-174.2	62.3	0	0	0	0	114.5	Y70 H117 F219 D223	Y70-C221 HydrophobicContact CE1-CB 3.93Å; H117-C221 PolarHBondContact N-O 3.21Å; H117-C221 PolarHBondContact O-N 2.58Å; F219-C221 HydrophobicContact CD2-CB 3.84Å; F219-C221 HydrophobicContact CE2-CB 3.41Å; F219-C221 VanDerWaalsContact CE2-CB 3.41Å; F219-C221 HydrophobicContact CZ-CB 3.95Å; F219-C221 PolarHBondContact O-N 2.96Å; C221-D223 PolarHBondContact O-N 3.14Å
222	F	98.4	Very high	97.9	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.018	5%	0.054	C	C	.	.			trans	-72.4	75	167	-67.5	-85.6	0	0	0	109.8	L61 L65 P67 Y70 V103 F115 L116 E224 M227	L61-F222 HydrophobicContact CD1-CB 4.15Å; L61-F222 HydrophobicContact CD1-CD1 3.94Å; L61-F222 HydrophobicContact CD1-CG 4.48Å; L65-F222 HydrophobicContact CB-CE1 4.08Å; L65-F222 HydrophobicContact CB-CZ 3.94Å; L65-F222 HydrophobicContact CD1-CZ 4.43Å; P67-F222 HydrophobicContact CB-CD2 3.73Å; P67-F222 HydrophobicContact CB-CE2 4.26Å; P67-F222 HydrophobicContact CB-CG 4.36Å; P67-F222 HydrophobicContact CG-CB 3.95Å; P67-F222 HydrophobicContact CG-CD2 3.92Å; P67-F222 HydrophobicContact CG-CG 4.03Å; Y70-F222 WeakPolarHBondContact OH-CB 3.4Å; Y70-F222 VanDerWaalsContact OH-CD2 3.3Å; Y70-F222 WeakPolarHBondContact OH-CD2 3.25Å; Y70-F222 PolarHBondContact OH-N 2.83Å; V103-F222 HydrophobicContact CG2-CD2 4.26Å; V103-F222 HydrophobicContact CG2-CE2 4.11Å; F115-F222 WeakPolarHBondContact O-CE1 3.26Å; L116-F222 HydrophobicContact CD2-CD1 4Å; L116-F222 HydrophobicContact CD2-CD2 3.39Å; L116-F222 HydrophobicContact CD2-CE1 3.87Å; L116-F222 HydrophobicContact CD2-CE2 3.29Å; L116-F222 HydrophobicContact CD2-CG 3.75Å; L116-F222 HydrophobicContact CD2-CZ 3.52Å; F222-E224 VanDerWaalsContact C-N 3.27Å; F222-E224 PolarHBondContact O-N 2.75Å; F222-M227 HydrophobicContact CB-CB 4.03Å; F222-M227 HydrophobicContact CB-SD 3.67Å; F222-M227 HydrophobicContact CD1-CE 4.42Å; F222-M227 HydrophobicContact CD1-SD 3.7Å; F222-M227 HydrophobicContact CG-SD 4.09Å
223	D	98.4	Very high	98.1	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.016	5%	0.052	C	C	.	.			trans	-81.5	61	-170.4	-161.1	24	0	0	0	113.6	H117 A215 R216 C221 S272	H117-D223 HydrophobicContact CB-CB 3.78Å; H117-D223 WeakPolarHBondContact ND1-CB 3.35Å; H117-D223 PolarHBondContact ND1-N 3.25Å; H117-D223 PolarHBondContact ND1-O 3.06Å; A215-D223 VanDerWaalsContact CB-OD1 3.32Å; A215-D223 WeakPolarHBondContact CB-OD1 3.44Å; R216-D223 HydrophobicContact CB-CB 4.31Å; R216-D223 IonicContact CZ-OD2 2.72Å; R216-D223 PolarHBondContact N-OD2 3.37Å; R216-D223 IonicContact NE-OD2 3.18Å; R216-D223 PolarHBondContact NE-OD2 3.14Å; R216-D223 PolarHBondContact NH2-O 3.17Å; R216-D223 IonicContact NH2-OD2 3.44Å; C221-D223 PolarHBondContact O-N 3.14Å; D223-S272 WeakPolarHBondContact OD1-CB 3.23Å; D223-S272 PolarHBondContact OD1-OG 3.43Å
224	E	98.3	Very high	98.2	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.056	C	C	.	.	S	Bend	trans	-132.5	143.2	171.4	-62.2	-168.2	-172.7	0	0	110.3	R60 L61 R63 F222 D226 M227 W397	R60-E224 WeakPolarHBondContact CA-OE1 3.21Å; R60-E224 IonicContact CZ-OE2 3.39Å; R60-E224 IonicContact NE-OE1 3.82Å; R60-E224 PolarHBondContact NE-OE1 2.77Å; R60-E224 IonicContact NE-OE2 3.13Å; R60-E224 PolarHBondContact NE-OE2 3.14Å; R60-E224 VanDerWaalsContact NE-OE2 3.09Å; R60-E224 IonicContact NH2-OE2 2.85Å; R60-E224 PolarHBondContact NH2-OE2 3.19Å; L61-E224 HydrophobicContact CD1-CG 4.22Å; L61-E224 PolarHBondContact N-OE1 2.93Å; R63-E224 IonicContact CZ-OE2 3.86Å; R63-E224 VanDerWaalsContact CZ-OE2 3.22Å; R63-E224 IonicContact NH1-OE1 2.65Å; R63-E224 IonicContact NH1-OE2 3.31Å; R63-E224 PolarHBondContact NH1-OE2 2.83Å; R63-E224 IonicContact NH2-OE2 2.85Å; R63-E224 PolarHBondContact NH2-OE2 3.45Å; F222-E224 VanDerWaalsContact C-N 3.27Å; F222-E224 PolarHBondContact O-N 2.75Å; E224-D226 VanDerWaalsContact C-N 3.29Å; E224-D226 PolarHBondContact O-N 2.95Å; E224-M227 HydrophobicContact CB-CG 4.35Å; E224-M227 HydrophobicContact CB-SD 4.46Å; E224-M227 PolarHBondContact O-N 2.88Å; E224-W397 HydrophobicContact CB-CZ3 4.03Å; E224-W397 HydrophobicContact CG-CH2 4.47Å; E224-W397 HydrophobicContact CG-CZ3 3.81Å
225	P	97.9	Very high	98.3	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.5	-170.6	22.4	-33.8	0	0	0	114.6	M227 S271 T394 M395 W397 W398 N505	P225-M227 VanDerWaalsContact C-N 3.35Å; P225-S271 PolarHBondContact O-OG 2.97Å; P225-T394 HydrophobicContact CB-CG2 3.95Å; P225-M395 HydrophobicContact CB-SD 4.07Å; P225-M395 HydrophobicContact CG-SD 4.37Å; P225-W397 HydrophobicContact CG-CE3 4.08Å; P225-W398 HydrophobicContact CB-CZ2 4.49Å; P225-W398 HydrophobicContact CG-CD2 4.47Å; P225-W398 HydrophobicContact CG-CZ2 4.31Å; P225-N505 PolarHBondContact O-ND2 3.25Å
226	D	96.7	Very high	98.3	Very high	49 Å²	49	11.4 Å²	11.4	26%	0.262	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-9.9	176.3	72.6	-29.8	0	0	0	114.7	R63 E224 K228 K396 N505	R63-D226 IonicContact CZ-OD1 3.99Å; R63-D226 IonicContact CZ-OD2 2.66Å; R63-D226 VanDerWaalsContact CZ-OD2 3.31Å; R63-D226 IonicContact NE-OD2 3.52Å; R63-D226 PolarHBondContact NE-OD2 3.31Å; R63-D226 VanDerWaalsContact NE-OD2 3.09Å; R63-D226 IonicContact NH2-OD1 2.83Å; R63-D226 PolarHBondContact NH2-OD1 3Å; R63-D226 IonicContact NH2-OD2 3.69Å; R63-D226 PolarHBondContact NH2-OD2 3.3Å; E224-D226 VanDerWaalsContact C-N 3.29Å; E224-D226 PolarHBondContact O-N 2.95Å; D226-K228 PolarHBondContact O-N 3.47Å; D226-K228 VanDerWaalsContact O-N 3.14Å; D226-K396 WeakPolarHBondContact CB-O 3.28Å; D226-N505 WeakPolarHBondContact CA-ND2 3.41Å; D226-N505 HydrophobicContact CB-CB 4.47Å
227	M	97.8	Very high	98.3	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.025	6%	0.056	C	C	.	.	S	Bend	trans	-89.9	46.8	177.5	-67.2	-171.7	161	0	0	111.8	L61 P67 F222 E224 P225	L61-M227 HydrophobicContact CB-CE 3.8Å; L61-M227 HydrophobicContact CB-SD 4.05Å; L61-M227 HydrophobicContact CD1-SD 3.81Å; P67-M227 HydrophobicContact CG-CB 3.99Å; P67-M227 VanDerWaalsContact CG-O 3.32Å; P67-M227 WeakPolarHBondContact CG-O 3.39Å; F222-M227 HydrophobicContact CB-CB 4.03Å; F222-M227 HydrophobicContact CB-SD 3.67Å; F222-M227 HydrophobicContact CD1-CE 4.42Å; F222-M227 HydrophobicContact CD1-SD 3.7Å; F222-M227 HydrophobicContact CG-SD 4.09Å; E224-M227 HydrophobicContact CB-CG 4.35Å; E224-M227 HydrophobicContact CB-SD 4.46Å; E224-M227 PolarHBondContact O-N 2.88Å; P225-M227 VanDerWaalsContact C-N 3.35Å
228	K	98.6	Very high	98.1	Very high	1 Å²	1	10.4 Å²	10.4	0%	0.004	5%	0.054	C	C	.	.			trans	-58	143.3	-179	-65.2	-168.2	170	-171.7	0	112.7	D226 K269 M270 S271 N391 Q392 T394 G504	D226-K228 PolarHBondContact O-N 3.47Å; D226-K228 VanDerWaalsContact O-N 3.14Å; K228-K269 HydrophobicContact CB-CD 4.22Å; K228-K269 HydrophobicContact CB-CG 3.7Å; K228-K269 WeakPolarHBondContact O-CE 3.47Å; K228-M270 CarbonylContact C-O 3.58Å; K228-M270 WeakPolarHBondContact CA-O 3.37Å; K228-M270 WeakPolarHBondContact CB-O 3.47Å; K228-S271 WeakPolarHBondContact CE-OG 3.48Å; K228-S271 WeakPolarHBondContact CG-OG 3.32Å; K228-N391 PolarHBondContact NZ-O 2.8Å; K228-Q392 PolarHBondContact NZ-O 2.73Å; K228-T394 WeakPolarHBondContact CE-OG1 3.47Å; K228-T394 PolarHBondContact NZ-OG1 3.18Å; K228-G504 WeakPolarHBondContact CE-O 3.44Å; K228-G504 PolarHBondContact NZ-O 2.82Å
229	A	98.6	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-145.1	170.7	177.4	0	0	0	0	0	112	P67 Y70 F231 K269 M270	P67-A229 HydrophobicContact CB-CB 4.14Å; P67-A229 HydrophobicContact CG-CB 4.45Å; Y70-A229 HydrophobicContact CD2-CB 3.57Å; Y70-A229 HydrophobicContact CE2-CB 3.49Å; Y70-A229 VanDerWaalsContact CE2-CB 3.49Å; A229-F231 HydrophobicContact CB-CE2 4.36Å; A229-F231 HydrophobicContact CB-CZ 4.29Å; A229-F231 WeakPolarHBondContact O-CD2 3.38Å; A229-F231 WeakPolarHBondContact O-CE2 3.42Å; A229-K269 WeakPolarHBondContact O-CA 3.47Å; A229-M270 PolarHBondContact N-O 3.42Å; A229-M270 PolarHBondContact O-N 3.13Å
230	V	98.8	Very high	97.5	Very high	36 Å²	36	19.7 Å²	19.7	22%	0.218	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.3	168.5	169.7	0	0	0	0	109.4	E68 R69 Y70 P266 T267	E68-V230 PolarHBondContact O-N 2.93Å; R69-V230 CarbonylContact C-O 3.51Å; R69-V230 WeakPolarHBondContact CA-O 3.32Å; R69-V230 HydrophobicContact CB-CB 4.42Å; R69-V230 HydrophobicContact CG-CB 4.39Å; R69-V230 HydrophobicContact CG-CG1 4.4Å; Y70-V230 PolarHBondContact N-O 2.81Å; V230-P266 HydrophobicContact CG1-CB 3.7Å; V230-T267 WeakPolarHBondContact CG1-O 3.5Å
231	F	98.8	Very high	97.4	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.8	178.4	-60.2	-90.8	0	0	0	110.5	Y70 I72 F219 A229 P266 T267 M270 L275	Y70-F231 AromaticContact CD2-CD1 3.75Å; Y70-F231 HydrophobicContact CD2-CD1 3.75Å; Y70-F231 AromaticContact CD2-CE1 3.3Å; Y70-F231 HydrophobicContact CD2-CE1 3.3Å; Y70-F231 AromaticContact CD2-CZ 3.89Å; Y70-F231 HydrophobicContact CD2-CZ 3.89Å; Y70-F231 AromaticContact CE2-CE1 3.74Å; Y70-F231 HydrophobicContact CE2-CE1 3.74Å; Y70-F231 HydrophobicContact CE2-CZ 4.03Å; Y70-F231 AromaticContact CG-CD1 3.97Å; Y70-F231 HydrophobicContact CG-CD1 3.97Å; Y70-F231 AromaticContact CG-CE1 3.82Å; Y70-F231 HydrophobicContact CG-CE1 3.82Å; I72-F231 HydrophobicContact CD1-CD1 3.9Å; F219-F231 HydrophobicContact CE2-CE1 4.37Å; F219-F231 HydrophobicContact CZ-CD1 4.28Å; F219-F231 AromaticContact CZ-CE1 3.86Å; F219-F231 HydrophobicContact CZ-CE1 3.86Å; A229-F231 HydrophobicContact CB-CE2 4.36Å; A229-F231 HydrophobicContact CB-CZ 4.29Å; A229-F231 WeakPolarHBondContact O-CD2 3.38Å; A229-F231 WeakPolarHBondContact O-CE2 3.42Å; F231-P266 CarbonylContact O-C 3.5Å; F231-P266 WeakPolarHBondContact O-CA 3.33Å; F231-T267 HydrophobicContact CB-CG2 4.02Å; F231-T267 PolarHBondContact N-OG1 2.77Å; F231-T267 PolarHBondContact O-N 2.91Å; F231-M270 HydrophobicContact CD2-CE 3.86Å; F231-M270 HydrophobicContact CD2-CG 3.74Å; F231-M270 HydrophobicContact CD2-SD 4.41Å; F231-M270 HydrophobicContact CE2-CE 4.29Å; F231-M270 HydrophobicContact CE2-CG 3.8Å; F231-M270 WeakPolarHBondContact CE2-O 3.24Å; F231-L275 HydrophobicContact CB-CD1 3.96Å; F231-L275 HydrophobicContact CD1-CD1 4.45Å; F231-L275 HydrophobicContact CD1-CD2 4.48Å; F231-L275 HydrophobicContact CG-CD1 4.17Å
232	Q	98.6	Very high	97.3	Very high	23 Å²	23	22.9 Å²	22.9	11%	0.107	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	104.9	167.2	-173.9	176	29.1	0	0	109.1	Y70 E71 I72 P266	Y70-Q232 PolarHBondContact O-N 3.4Å; E71-Q232 HydrophobicContact CG-CB 4.41Å; I72-Q232 PolarHBondContact N-O 3.29Å; Q232-P266 HydrophobicContact CG-CG 4.44Å
233	L	98.8	Very high	97.3	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.7	-178.2	-176.2	64	0	0	0	111.4	I72 L74 V235 S245 F264 L277	I72-L233 HydrophobicContact CB-CD1 3.94Å; I72-L233 HydrophobicContact CG2-CD1 3.79Å; I72-L233 CarbonylContact O-C 3.41Å; L74-L233 HydrophobicContact CD1-CD1 4Å; L74-L233 HydrophobicContact CG-CD1 4.17Å; L233-V235 HydrophobicContact CD1-CG2 4.07Å; L233-V235 HydrophobicContact CD2-CG2 3.77Å; L233-V235 HydrophobicContact CG-CG2 3.71Å; L233-S245 WeakPolarHBondContact CD2-OG 3.39Å; L233-F264 HydrophobicContact CB-CD2 4.07Å; L233-F264 HydrophobicContact CD2-CD2 4.22Å; L233-F264 HydrophobicContact CD2-CE2 4.25Å; L233-F264 HydrophobicContact CG-CD2 4.19Å; L233-F264 HydrophobicContact CG-CE2 4.5Å; L233-F264 WeakPolarHBondContact O-CD2 3.49Å; L233-F264 PolarHBondContact O-N 2.83Å; L233-L277 HydrophobicContact CD2-CB 4.34Å; L233-L277 HydrophobicContact CD2-CD1 4.37Å
234	T	98.8	Very high	97.3	Very high	21 Å²	21	23.4 Å²	23.4	13%	0.129	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.4	166.2	-54.4	0	0	0	0	108.4	I72 L73 L74 Y261 T262 Q263	I72-T234 PolarHBondContact O-N 3.45Å; L73-T234 CarbonylContact C-O 3.58Å; L73-T234 VanDerWaalsContact CA-O 3.29Å; L73-T234 WeakPolarHBondContact CA-O 3.37Å; L73-T234 HydrophobicContact CD1-CG2 3.77Å; L74-T234 PolarHBondContact N-O 2.96Å; T234-Y261 HydrophobicContact CG2-CD2 4.19Å; T234-T262 CarbonylContact C-O 3.51Å; T234-T262 WeakPolarHBondContact CA-O 3.45Å; T234-Q263 HydrophobicContact CG2-CB 4.16Å; T234-Q263 WeakPolarHBondContact OG1-CG 3.43Å; T234-Q263 PolarHBondContact OG1-NE2 3.25Å
235	V	98.6	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	-177.9	-174.8	0	0	0	0	109.4	L74 L233 H237 Y261 T262 F264 L277 I279	L74-V235 CarbonylContact O-C 3.53Å; L74-V235 WeakPolarHBondContact O-CA 3.28Å; L233-V235 HydrophobicContact CD1-CG2 4.07Å; L233-V235 HydrophobicContact CD2-CG2 3.77Å; L233-V235 HydrophobicContact CG-CG2 3.71Å; V235-H237 HydrophobicContact CG1-CB 4.4Å; V235-Y261 CarbonylContact O-C 3.6Å; V235-Y261 VanDerWaalsContact O-CA 3.23Å; V235-Y261 WeakPolarHBondContact O-CA 3.08Å; V235-T262 PolarHBondContact N-O 3.15Å; V235-T262 PolarHBondContact O-N 3.09Å; V235-F264 HydrophobicContact CG2-CE2 4.12Å; V235-L277 HydrophobicContact CB-CD1 4.49Å; V235-L277 HydrophobicContact CG1-CD1 4.31Å; V235-L277 HydrophobicContact CG1-CD2 4.2Å; V235-L277 HydrophobicContact CG2-CD1 3.73Å; V235-L277 HydrophobicContact CG2-CD2 3.93Å; V235-L277 HydrophobicContact CG2-CG 4.49Å; V235-I279 HydrophobicContact CG1-CD1 3.71Å; V235-I279 HydrophobicContact CG1-CG1 4.37Å
236	I	98.4	Very high	97.3	Very high	30 Å²	30	23.7 Å²	23.7	15%	0.154	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.6	168.3	-60.9	172.9	0	0	0	107.3	L73 L74 H75 I255 W259 K260	L73-I236 HydrophobicContact CD1-CD1 4.08Å; L73-I236 HydrophobicContact CD1-CG1 4.06Å; L74-I236 PolarHBondContact O-N 3.14Å; H75-I236 HydrophobicContact CB-CB 4.11Å; H75-I236 HydrophobicContact CB-CD1 4.46Å; H75-I236 VanDerWaalsContact CD2-CG2 3.47Å; H75-I236 WeakPolarHBondContact CD2-CG2 3.42Å; I236-I255 HydrophobicContact CB-CD1 4.41Å; I236-I255 HydrophobicContact CD1-CD1 4.08Å; I236-I255 HydrophobicContact CG1-CD1 3.95Å; I236-I255 HydrophobicContact CG2-CD1 3.69Å; I236-W259 HydrophobicContact CG2-CB 4.3Å; I236-W259 HydrophobicContact CG2-CD2 4.28Å; I236-W259 HydrophobicContact CG2-CE3 3.76Å; I236-W259 HydrophobicContact CG2-CZ3 4.48Å; I236-K260 WeakPolarHBondContact CA-O 3.47Å
237	H	97.1	Very high	97.3	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.8	-176.6	65.8	108.4	0	0	0	111.7	V235 T241 A243 K260 T262 I279	V235-H237 HydrophobicContact CG1-CB 4.4Å; H237-T241 PolarHBondContact CE1-O 3.08Å; H237-T241 VanDerWaalsContact CE1-O 3.29Å; H237-T241 PolarHBondContact ND1-OG1 2.67Å; H237-A243 PolarHBondContact CE1-N 3.21Å; H237-A243 WeakPolarHBondContact NE2-CB 3.34Å; H237-K260 WeakPolarHBondContact CE1-CE 3.45Å; H237-K260 PolarHBondContact N-O 3.25Å; H237-K260 VanDerWaalsContact NE2-CE 3.33Å; H237-K260 WeakPolarHBondContact NE2-CE 3.32Å; H237-K260 PolarHBondContact O-N 3.48Å; H237-T262 PolarHBondContact NE2-OG1 2.94Å; H237-I279 HydrophobicContact CB-CD1 4.09Å; H237-I279 HydrophobicContact CB-CG2 3.84Å
238	R	94.4	Very high	97.2	Very high	32 Å²	32	27 Å²	27	12%	0.121	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	147.2	-177.2	-66.1	-68.5	-173.7	176.4	-5.4	111.7	F78 Y79 T241 E258 W259	F78-R238 WeakPolarHBondContact O-CG 3.2Å; Y79-R238 PolarHBondContact OH-NH2 2.8Å; R238-T241 PolarHBondContact O-N 2.86Å; R238-T241 PolarHBondContact O-OG1 3.38Å; R238-E258 CarbonylContact C-O 3.57Å; R238-E258 WeakPolarHBondContact CA-O 3.45Å; R238-E258 IonicContact CZ-OE2 3.09Å; R238-E258 IonicContact NH1-OE2 3.22Å; R238-E258 PolarHBondContact NH1-OE2 3.42Å; R238-W259 HydrophobicContact CG-CE3 4.4Å; R238-W259 HydrophobicContact CG-CH2 4.16Å; R238-W259 HydrophobicContact CG-CZ3 4.02Å; R238-W259 VanDerWaalsContact NH2-CZ2 3.3Å
239	R	93.1	Very high	97.1	Very high	132 Å²	132	31.3 Å²	31.3	50%	0.498	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	143.9	166.8	-68	177.5	69.7	-156.7	4.6	109	E257 E258 K260	R239-E257 VanDerWaalsContact CD-O 3.28Å; R239-E257 WeakPolarHBondContact CD-O 3.47Å; R239-E257 PolarHBondContact NH1-O 2.76Å; R239-E258 PolarHBondContact N-O 2.7Å; R239-K260 HydrophobicContact CG-CB 4.32Å
240	G	90.7	Very high	97	Very high	66 Å²	66	35.2 Å²	35.2	68%	0.68	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	96	-20.1	-173.2	0	0	0	0	0	114
241	T	95.4	Very high	96.9	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.025	19%	0.19	C	C	.	.			trans	-98.3	158.7	173.6	67.7	0	0	0	0	112.5	H237 R238 K260 I279 S280 E281	H237-T241 PolarHBondContact CE1-O 3.08Å; H237-T241 VanDerWaalsContact CE1-O 3.29Å; H237-T241 PolarHBondContact ND1-OG1 2.67Å; R238-T241 PolarHBondContact O-N 2.86Å; R238-T241 PolarHBondContact O-OG1 3.38Å; T241-K260 VanDerWaalsContact O-CE 3.25Å; T241-K260 WeakPolarHBondContact O-CE 3.36Å; T241-K260 PolarHBondContact O-NZ 2.84Å; T241-I279 HydrophobicContact CG2-CG2 4.44Å; T241-I279 WeakPolarHBondContact OG1-CG2 3.5Å; T241-S280 CarbonylContact C-O 3.22Å; T241-S280 VanDerWaalsContact CA-O 3.26Å; T241-S280 WeakPolarHBondContact CA-O 3.44Å; T241-S280 WeakPolarHBondContact CB-O 3.28Å; T241-E281 HydrophobicContact CG2-CG 4.14Å
242	E	96.4	Very high	96.7	Very high	64 Å²	64	41.5 Å²	41.5	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	169.3	-173	162.3	-161.7	0	0	108.9	L244 I279 S280	E242-L244 HydrophobicContact CG-CD2 3.95Å; E242-I279 WeakPolarHBondContact O-CA 3.32Å; E242-S280 PolarHBondContact N-O 2.98Å; E242-S280 PolarHBondContact O-N 3.44Å
243	A	98.3	Very high	96.6	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.033	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.2	171.7	0	0	0	0	0	108.3	H237 F264 L277 T278 I279	H237-A243 PolarHBondContact CE1-N 3.21Å; H237-A243 WeakPolarHBondContact NE2-CB 3.34Å; A243-F264 HydrophobicContact CB-CZ 4.04Å; A243-F264 WeakPolarHBondContact O-CE1 3.33Å; A243-F264 VanDerWaalsContact O-CZ 3.28Å; A243-F264 WeakPolarHBondContact O-CZ 3.35Å; A243-L277 HydrophobicContact CB-CD1 4.45Å; A243-T278 CarbonylContact C-O 3.58Å; A243-T278 VanDerWaalsContact CA-O 3.25Å; A243-T278 WeakPolarHBondContact CA-O 3.31Å; A243-I279 HydrophobicContact CB-CG1 4.31Å
244	L	98.6	Very high	96.5	Very high	14 Å²	14	46 Å²	46	7%	0.073	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.8	174.4	-52.7	175.5	0	0	0	109.7	E242 L277 T278 Y297 I338 L353	E242-L244 HydrophobicContact CG-CD2 3.95Å; L244-L277 WeakPolarHBondContact O-CA 3.28Å; L244-L277 WeakPolarHBondContact O-CD1 3.4Å; L244-T278 WeakPolarHBondContact CB-OG1 3.21Å; L244-T278 PolarHBondContact N-O 3.03Å; L244-T278 PolarHBondContact O-N 2.72Å; L244-Y297 HydrophobicContact CD1-CD1 3.72Å; L244-Y297 HydrophobicContact CD1-CD2 3.71Å; L244-Y297 HydrophobicContact CD1-CE1 3.77Å; L244-Y297 HydrophobicContact CD1-CE2 3.74Å; L244-Y297 HydrophobicContact CD1-CG 3.7Å; L244-Y297 HydrophobicContact CD2-CE1 3.89Å; L244-Y297 HydrophobicContact CD2-CE2 4.21Å; L244-Y297 HydrophobicContact CG-CE1 4.41Å; L244-I338 HydrophobicContact CD1-CD1 4.27Å; L244-L353 HydrophobicContact CB-CD1 4.09Å; L244-L353 HydrophobicContact CB-CD2 3.8Å; L244-L353 HydrophobicContact CD1-CD1 4.19Å
245	S	98.4	Very high	96.3	Very high	8 Å²	8	49.2 Å²	49.2	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-174.3	173.4	-169.5	0	0	0	0	109.4	L233 T247 A276	L233-S245 WeakPolarHBondContact CD2-OG 3.39Å; S245-T247 PolarHBondContact O-N 3.31Å; S245-T247 VanDerWaalsContact O-N 3.08Å; S245-A276 VanDerWaalsContact CA-O 3.31Å; S245-A276 WeakPolarHBondContact CA-O 3.2Å; S245-A276 WeakPolarHBondContact CB-O 3.32Å; S245-A276 PolarHBondContact OG-O 3.08Å
246	N	98.4	Very high	96	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.275	C	S	.	.	S	Bend	trans	-55	-26.3	-175.4	-63.2	92	0	0	0	115.3	T267 L274 A276 W351 G352	N246-T267 HydrophobicContact CB-CG2 3.95Å; N246-L274 PolarHBondContact ND2-O 3.05Å; N246-A276 PolarHBondContact OD1-N 3.24Å; N246-W351 WeakPolarHBondContact CA-O 3.05Å; N246-W351 WeakPolarHBondContact CB-O 3.5Å; N246-W351 PolarHBondContact ND2-N 3.06Å; N246-W351 PolarHBondContact ND2-O 3.1Å; N246-G352 WeakPolarHBondContact O-CA 3.41Å
247	T	97.6	Very high	95.6	Very high	12 Å²	12	60 Å²	60	7%	0.074	31%	0.307	C	S	.	.	S	Bend	trans	-127.5	160.7	179.6	65.9	0	0	0	0	110.5	S245 F264 F265 T267 M332	S245-T247 PolarHBondContact O-N 3.31Å; S245-T247 VanDerWaalsContact O-N 3.08Å; T247-F264 WeakPolarHBondContact O-CD1 3.4Å; T247-F265 PolarHBondContact OG1-N 3.23Å; T247-F265 PolarHBondContact OG1-O 2.92Å; T247-T267 HydrophobicContact CG2-CG2 4.1Å; T247-M332 HydrophobicContact CG2-SD 4.2Å
248	R	95.6	Very high	95.3	Very high	110 Å²	110	65.1 Å²	65.1	42%	0.415	33%	0.331	S	S	.	.			trans	-54.5	154.2	172.6	62.5	-164.4	-177.2	90.1	-9.1	113.8	Q250 F265 E333 D334	R248-Q250 PolarHBondContact O-N 3.45Å; R248-F265 HydrophobicContact CG-CD2 3.59Å; R248-F265 HydrophobicContact CG-CE2 3.89Å; R248-F265 VanDerWaalsContact NH1-CE2 3.32Å; R248-F265 WeakPolarHBondContact O-CD2 3.34Å; R248-F265 PolarHBondContact O-N 2.88Å; R248-E333 IonicContact CZ-OE2 2.72Å; R248-E333 VanDerWaalsContact CZ-OE2 3.32Å; R248-E333 IonicContact NE-OE2 3.65Å; R248-E333 PolarHBondContact NE-OE2 2.91Å; R248-E333 IonicContact NH2-OE2 3.69Å; R248-E333 PolarHBondContact NH2-OE2 3.15Å; R248-D334 WeakPolarHBondContact CA-OD2 3.33Å; R248-D334 VanDerWaalsContact CB-OD2 3.24Å; R248-D334 WeakPolarHBondContact CB-OD2 3.35Å; R248-D334 PolarHBondContact N-OD2 2.91Å; R248-D334 VanDerWaalsContact N-OD2 3.14Å
249	Q	96.1	Very high	95.3	Very high	93 Å²	93	64.9 Å²	64.9	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	128.3	169.1	177.5	-179	-58	0	0	111.2	T262	Q249-T262 HydrophobicContact CB-CG2 4.34Å; Q249-T262 HydrophobicContact CG-CG2 3.86Å
250	Q	96.3	Very high	95.5	Very high	82 Å²	82	60.7 Å²	60.7	38%	0.383	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-47.9	171.6	-178	175.4	31.1	0	0	111.8	R248 Q263 F265	R248-Q250 PolarHBondContact O-N 3.45Å; Q250-Q263 WeakPolarHBondContact CA-O 3.42Å; Q250-Q263 WeakPolarHBondContact CB-O 3.31Å; Q250-Q263 PolarHBondContact N-O 3.35Å; Q250-F265 VanDerWaalsContact CA-CE2 3.45Å; Q250-F265 HydrophobicContact CB-CD1 4.19Å; Q250-F265 HydrophobicContact CB-CD2 3.71Å; Q250-F265 HydrophobicContact CB-CE1 4.21Å; Q250-F265 HydrophobicContact CB-CE2 3.72Å; Q250-F265 HydrophobicContact CB-CG 3.95Å; Q250-F265 HydrophobicContact CB-CZ 3.99Å; Q250-F265 HydrophobicContact CG-CD1 4.04Å; Q250-F265 HydrophobicContact CG-CD2 4.31Å; Q250-F265 HydrophobicContact CG-CE1 3.75Å; Q250-F265 HydrophobicContact CG-CE2 4.03Å; Q250-F265 HydrophobicContact CG-CG 4.32Å; Q250-F265 HydrophobicContact CG-CZ 3.74Å
251	R	96.3	Very high	95.8	Very high	125 Å²	125	60.5 Å²	60.5	47%	0.472	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.8	178.2	59.2	174.2	178.3	177.8	1.6	110.8	Y261 Q263	R251-Y261 HydrophobicContact CG-CE2 4.11Å; R251-Q263 HydrophobicContact CG-CB 3.79Å; R251-Q263 HydrophobicContact CG-CG 4.48Å; R251-Q263 PolarHBondContact N-O 2.87Å; R251-Q263 VanDerWaalsContact N-O 3.14Å; R251-Q263 PolarHBondContact O-N 3.21Å
252	S	95.4	Very high	96	Very high	44 Å²	44	60.3 Å²	60.3	31%	0.308	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.8	171.3	-179.4	0	0	0	0	109.6	Y261 T262	S252-Y261 WeakPolarHBondContact CA-O 3.3Å; S252-Y261 WeakPolarHBondContact CB-O 3.38Å; S252-Y261 PolarHBondContact OG-O 3.4Å; S252-T262 PolarHBondContact OG-OG1 3.41Å
253	S	95.9	Very high	96.1	Very high	59 Å²	59	58.2 Å²	58.2	41%	0.413	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	147.7	174.6	-177.2	0	0	0	0	110.5	K260 Y261	S253-K260 WeakPolarHBondContact O-CA 3.49Å; S253-K260 WeakPolarHBondContact O-CB 3.42Å; S253-Y261 PolarHBondContact N-O 2.86Å; S253-Y261 VanDerWaalsContact N-O 3.16Å; S253-Y261 WeakPolarHBondContact O-CD1 3Å; S253-Y261 PolarHBondContact O-N 2.84Å
254	S	95.6	Very high	96.1	Very high	64 Å²	64	58.2 Å²	58.2	45%	0.448	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	138.3	168.4	-63	0	0	0	0	110.4
255	I	94.6	Very high	96.1	Very high	89 Å²	89	60.6 Å²	60.6	46%	0.456	29%	0.293	S	S	.	.	S	Bend	trans	-89.7	-47.8	169.7	-65.4	169.8	0	0	0	108.1	I236 W259 Y261	I236-I255 HydrophobicContact CB-CD1 4.41Å; I236-I255 HydrophobicContact CD1-CD1 4.08Å; I236-I255 HydrophobicContact CG1-CD1 3.95Å; I236-I255 HydrophobicContact CG2-CD1 3.69Å; I255-W259 HydrophobicContact CB-CB 4.28Å; I255-W259 HydrophobicContact CD1-CB 4.41Å; I255-W259 PolarHBondContact N-O 2.88Å; I255-Y261 HydrophobicContact CG1-CD1 4.07Å
256	D	93.7	Very high	96.1	Very high	81 Å²	81	62.5 Å²	62.5	43%	0.433	31%	0.305	S	S	.	.	S	Bend	trans	-150.8	-160.6	178.8	57.8	41.4	0	0	0	110.8	E258 W259	D256-E258 PolarHBondContact O-N 3.16Å; D256-E258 WeakPolarHBondContact OD1-CA 3.31Å; D256-E258 PolarHBondContact OD1-N 2.88Å; D256-W259 PolarHBondContact N-O 2.86Å; D256-W259 PolarHBondContact OD1-N 2.92Å
257	E	89.7	Confident	96.1	Very high	175 Å²	175	63 Å²	63	82%	0.818	31%	0.308	S	S	*	.	S	Bend	trans	-69.1	-20.8	-179.7	-66.2	-169.1	167.7	0	0	113.5	R239	R239-E257 VanDerWaalsContact CD-O 3.28Å; R239-E257 WeakPolarHBondContact CD-O 3.47Å; R239-E257 PolarHBondContact NH1-O 2.76Å
258	E	90.2	Very high	96.1	Very high	108 Å²	108	64.6 Å²	64.6	51%	0.505	32%	0.318	S	S	.	.	S	Bend	trans	-108.9	-34.7	-174.3	-66.7	-172.8	178.5	0	0	113.2	R238 R239 D256	R238-E258 CarbonylContact C-O 3.57Å; R238-E258 WeakPolarHBondContact CA-O 3.45Å; R238-E258 IonicContact CZ-OE2 3.09Å; R238-E258 IonicContact NH1-OE2 3.22Å; R238-E258 PolarHBondContact NH1-OE2 3.42Å; R239-E258 PolarHBondContact N-O 2.7Å; D256-E258 PolarHBondContact O-N 3.16Å; D256-E258 WeakPolarHBondContact OD1-CA 3.31Å; D256-E258 PolarHBondContact OD1-N 2.88Å
259	W	94.9	Very high	96.2	Very high	28 Å²	28	64 Å²	64	11%	0.106	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.2	-169.4	-63	96.2	0	0	0	112.9	H75 I236 R238 I255 D256	H75-W259 AromaticContact CD2-CH2 3.96Å; H75-W259 AromaticContact CD2-CZ3 3.65Å; H75-W259 AromaticContact NE2-CD2 3.82Å; H75-W259 AromaticContact NE2-CE2 3.79Å; H75-W259 AromaticContact NE2-CE3 3.58Å; H75-W259 AromaticContact NE2-CH2 3.34Å; H75-W259 VanDerWaalsContact NE2-CH2 3.34Å; H75-W259 WeakPolarHBondContact NE2-CH2 3.4Å; H75-W259 AromaticContact NE2-CZ2 3.56Å; H75-W259 AromaticContact NE2-CZ3 3.34Å; H75-W259 VanDerWaalsContact NE2-CZ3 3.34Å; H75-W259 WeakPolarHBondContact NE2-CZ3 3.31Å; I236-W259 HydrophobicContact CG2-CB 4.3Å; I236-W259 HydrophobicContact CG2-CD2 4.28Å; I236-W259 HydrophobicContact CG2-CE3 3.76Å; I236-W259 HydrophobicContact CG2-CZ3 4.48Å; R238-W259 HydrophobicContact CG-CE3 4.4Å; R238-W259 HydrophobicContact CG-CH2 4.16Å; R238-W259 HydrophobicContact CG-CZ3 4.02Å; R238-W259 VanDerWaalsContact NH2-CZ2 3.3Å; I255-W259 HydrophobicContact CB-CB 4.28Å; I255-W259 HydrophobicContact CD1-CB 4.41Å; I255-W259 PolarHBondContact N-O 2.88Å; D256-W259 PolarHBondContact N-O 2.86Å; D256-W259 PolarHBondContact OD1-N 2.92Å
260	K	97.3	Very high	96.3	Very high	44 Å²	44	59.6 Å²	59.6	19%	0.191	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160.5	164.5	68.3	176.5	-170.2	-179.2	0	109.4	I236 H237 R239 T241 S253	I236-K260 WeakPolarHBondContact CA-O 3.47Å; H237-K260 WeakPolarHBondContact CE1-CE 3.45Å; H237-K260 PolarHBondContact N-O 3.25Å; H237-K260 VanDerWaalsContact NE2-CE 3.33Å; H237-K260 WeakPolarHBondContact NE2-CE 3.32Å; H237-K260 PolarHBondContact O-N 3.48Å; R239-K260 HydrophobicContact CG-CB 4.32Å; T241-K260 VanDerWaalsContact O-CE 3.25Å; T241-K260 WeakPolarHBondContact O-CE 3.36Å; T241-K260 PolarHBondContact O-NZ 2.84Å; S253-K260 WeakPolarHBondContact O-CA 3.49Å; S253-K260 WeakPolarHBondContact O-CB 3.42Å
261	Y	97.8	Very high	96.4	Very high	61 Å²	61	55.7 Å²	55.7	24%	0.239	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	151	165.7	75.3	-89.2	0	0	0	110.7	T234 V235 R251 S252 S253 I255	T234-Y261 HydrophobicContact CG2-CD2 4.19Å; V235-Y261 CarbonylContact O-C 3.6Å; V235-Y261 VanDerWaalsContact O-CA 3.23Å; V235-Y261 WeakPolarHBondContact O-CA 3.08Å; R251-Y261 HydrophobicContact CG-CE2 4.11Å; S252-Y261 WeakPolarHBondContact CA-O 3.3Å; S252-Y261 WeakPolarHBondContact CB-O 3.38Å; S252-Y261 PolarHBondContact OG-O 3.4Å; S253-Y261 PolarHBondContact N-O 2.86Å; S253-Y261 VanDerWaalsContact N-O 3.16Å; S253-Y261 WeakPolarHBondContact O-CD1 3Å; S253-Y261 PolarHBondContact O-N 2.84Å; I255-Y261 HydrophobicContact CG1-CD1 4.07Å
262	T	98.6	Very high	96.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.4	171.5	-61.2	0	0	0	0	107.5	T234 V235 H237 Q249 S252 F264	T234-T262 CarbonylContact C-O 3.51Å; T234-T262 WeakPolarHBondContact CA-O 3.45Å; V235-T262 PolarHBondContact N-O 3.15Å; V235-T262 PolarHBondContact O-N 3.09Å; H237-T262 PolarHBondContact NE2-OG1 2.94Å; Q249-T262 HydrophobicContact CB-CG2 4.34Å; Q249-T262 HydrophobicContact CG-CG2 3.86Å; S252-T262 PolarHBondContact OG-OG1 3.41Å; T262-F264 HydrophobicContact CG2-CE1 4.02Å; T262-F264 HydrophobicContact CG2-CE2 4.19Å; T262-F264 HydrophobicContact CG2-CZ 3.8Å
263	Q	98.6	Very high	96.6	Very high	20 Å²	20	47.9 Å²	47.9	9%	0.093	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134	173.3	176.9	173.9	81.5	0	0	109.2	T234 Q250 R251	T234-Q263 HydrophobicContact CG2-CB 4.16Å; T234-Q263 WeakPolarHBondContact OG1-CG 3.43Å; T234-Q263 PolarHBondContact OG1-NE2 3.25Å; Q250-Q263 WeakPolarHBondContact CA-O 3.42Å; Q250-Q263 WeakPolarHBondContact CB-O 3.31Å; Q250-Q263 PolarHBondContact N-O 3.35Å; R251-Q263 HydrophobicContact CG-CB 3.79Å; R251-Q263 HydrophobicContact CG-CG 4.48Å; R251-Q263 PolarHBondContact N-O 2.87Å; R251-Q263 VanDerWaalsContact N-O 3.14Å; R251-Q263 PolarHBondContact O-N 3.21Å
264	F	98.6	Very high	96.8	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	159.4	179.6	-58.4	-81.1	0	0	0	111.5	L233 V235 A243 T247 T262	L233-F264 HydrophobicContact CB-CD2 4.07Å; L233-F264 HydrophobicContact CD2-CD2 4.22Å; L233-F264 HydrophobicContact CD2-CE2 4.25Å; L233-F264 HydrophobicContact CG-CD2 4.19Å; L233-F264 HydrophobicContact CG-CE2 4.5Å; L233-F264 WeakPolarHBondContact O-CD2 3.49Å; L233-F264 PolarHBondContact O-N 2.83Å; V235-F264 HydrophobicContact CG2-CE2 4.12Å; A243-F264 HydrophobicContact CB-CZ 4.04Å; A243-F264 WeakPolarHBondContact O-CE1 3.33Å; A243-F264 VanDerWaalsContact O-CZ 3.28Å; A243-F264 WeakPolarHBondContact O-CZ 3.35Å; T247-F264 WeakPolarHBondContact O-CD1 3.4Å; T262-F264 HydrophobicContact CG2-CE1 4.02Å; T262-F264 HydrophobicContact CG2-CE2 4.19Å; T262-F264 HydrophobicContact CG2-CZ 3.8Å
265	F	98.1	Very high	96.9	Very high	65 Å²	65	42.1 Å²	42.1	29%	0.285	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-65.5	151.8	171.8	-79	-84.4	0	0	0	110.5	T247 R248 Q250 T267	T247-F265 PolarHBondContact OG1-N 3.23Å; T247-F265 PolarHBondContact OG1-O 2.92Å; R248-F265 HydrophobicContact CG-CD2 3.59Å; R248-F265 HydrophobicContact CG-CE2 3.89Å; R248-F265 VanDerWaalsContact NH1-CE2 3.32Å; R248-F265 WeakPolarHBondContact O-CD2 3.34Å; R248-F265 PolarHBondContact O-N 2.88Å; Q250-F265 VanDerWaalsContact CA-CE2 3.45Å; Q250-F265 HydrophobicContact CB-CD1 4.19Å; Q250-F265 HydrophobicContact CB-CD2 3.71Å; Q250-F265 HydrophobicContact CB-CE1 4.21Å; Q250-F265 HydrophobicContact CB-CE2 3.72Å; Q250-F265 HydrophobicContact CB-CG 3.95Å; Q250-F265 HydrophobicContact CB-CZ 3.99Å; Q250-F265 HydrophobicContact CG-CD1 4.04Å; Q250-F265 HydrophobicContact CG-CD2 4.31Å; Q250-F265 HydrophobicContact CG-CE1 3.75Å; Q250-F265 HydrophobicContact CG-CE2 4.03Å; Q250-F265 HydrophobicContact CG-CG 4.32Å; Q250-F265 HydrophobicContact CG-CZ 3.74Å; F265-T267 PolarHBondContact O-N 2.9Å
266	P	98.3	Very high	97.1	Very high	48 Å²	48	38 Å²	38	31%	0.312	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-56.8	134.9	171.9	-22.9	33.6	0	0	0	111.4	V230 F231 Q232	V230-P266 HydrophobicContact CG1-CB 3.7Å; F231-P266 CarbonylContact O-C 3.5Å; F231-P266 WeakPolarHBondContact O-CA 3.33Å; Q232-P266 HydrophobicContact CG-CG 4.44Å
267	T	98.3	Very high	97.3	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-66.4	162.3	176.3	66.8	0	0	0	0	111.4	V230 F231 N246 T247 F265 M270	V230-T267 WeakPolarHBondContact CG1-O 3.5Å; F231-T267 HydrophobicContact CB-CG2 4.02Å; F231-T267 PolarHBondContact N-OG1 2.77Å; F231-T267 PolarHBondContact O-N 2.91Å; N246-T267 HydrophobicContact CB-CG2 3.95Å; T247-T267 HydrophobicContact CG2-CG2 4.1Å; F265-T267 PolarHBondContact O-N 2.9Å; T267-M270 HydrophobicContact CG2-CE 4.15Å; T267-M270 HydrophobicContact CG2-SD 3.87Å
268	P	97.3	Very high	97.7	Very high	45 Å²	45	25.9 Å²	25.9	29%	0.292	12%	0.124	S	C	.	.	P	Polyproline II helix	trans	-54.6	164.3	152	-21.2	34	0	0	0	111.3	M270 M332 W351	P268-M270 PolarHBondContact O-N 2.79Å; P268-M270 VanDerWaalsContact O-N 3.15Å; P268-M332 HydrophobicContact CG-CG 4.11Å; P268-M332 HydrophobicContact CG-SD 3.95Å; P268-W351 HydrophobicContact CB-CH2 4Å; P268-W351 HydrophobicContact CB-CZ2 4.42Å; P268-W351 HydrophobicContact CB-CZ3 4.21Å; P268-W351 HydrophobicContact CG-CZ2 4.49Å
269	K	97.5	Very high	98.1	Very high	98 Å²	98	20.8 Å²	20.8	43%	0.426	10%	0.1	S	C	.	.	S	Bend	trans	-64.8	115.9	173.1	-172.4	178.8	-172.4	-162.7	0	108.9	K228 A229	K228-K269 HydrophobicContact CB-CD 4.22Å; K228-K269 HydrophobicContact CB-CG 3.7Å; K228-K269 WeakPolarHBondContact O-CE 3.47Å; A229-K269 WeakPolarHBondContact O-CA 3.47Å
270	M	98.4	Very high	98.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-143.3	168.3	-174.2	70.2	-175.2	-140.7	0	0	111.5	K228 A229 F231 T267 P268 L274 L275 W351	K228-M270 CarbonylContact C-O 3.58Å; K228-M270 WeakPolarHBondContact CA-O 3.37Å; K228-M270 WeakPolarHBondContact CB-O 3.47Å; A229-M270 PolarHBondContact N-O 3.42Å; A229-M270 PolarHBondContact O-N 3.13Å; F231-M270 HydrophobicContact CD2-CE 3.86Å; F231-M270 HydrophobicContact CD2-CG 3.74Å; F231-M270 HydrophobicContact CD2-SD 4.41Å; F231-M270 HydrophobicContact CE2-CE 4.29Å; F231-M270 HydrophobicContact CE2-CG 3.8Å; F231-M270 WeakPolarHBondContact CE2-O 3.24Å; T267-M270 HydrophobicContact CG2-CE 4.15Å; T267-M270 HydrophobicContact CG2-SD 3.87Å; P268-M270 PolarHBondContact O-N 2.79Å; P268-M270 VanDerWaalsContact O-N 3.15Å; M270-L274 HydrophobicContact CE-CB 4.23Å; M270-L275 HydrophobicContact CE-CB 4.01Å; M270-L275 HydrophobicContact CE-CD1 4.05Å; M270-W351 HydrophobicContact CB-CE3 3.61Å; M270-W351 HydrophobicContact CB-CZ3 3.86Å; M270-W351 HydrophobicContact SD-CB 4.47Å; M270-W351 HydrophobicContact SD-CE3 4.49Å
271	S	98.6	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.			trans	-81.6	156.1	178	-54.4	0	0	0	0	111.2	P225 K228 Y273 L274	P225-S271 PolarHBondContact O-OG 2.97Å; K228-S271 WeakPolarHBondContact CE-OG 3.48Å; K228-S271 WeakPolarHBondContact CG-OG 3.32Å; S271-Y273 VanDerWaalsContact C-N 3.34Å; S271-Y273 PolarHBondContact O-N 3.22Å; S271-L274 PolarHBondContact O-N 2.9Å
272	S	98.6	Very high	98.1	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.028	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-61.1	-38.7	-177.5	46.7	0	0	0	0	113.4	D223 L274 L275	D223-S272 WeakPolarHBondContact OD1-CB 3.23Å; D223-S272 PolarHBondContact OD1-OG 3.43Å; S272-L274 PolarHBondContact O-N 2.91Å; S272-L274 VanDerWaalsContact O-N 3.09Å; S272-L275 WeakPolarHBondContact O-CB 3.47Å; S272-L275 PolarHBondContact O-N 3.27Å; S272-L275 VanDerWaalsContact O-N 3.08Å
273	Y	98.5	Very high	98	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-62	-17.8	-178	86.6	-90.8	0	0	0	114	E211 S271 M348 E349 G390 T394 W398 N404	E211-Y273 HydrophobicContact CB-CD2 3.9Å; E211-Y273 HydrophobicContact CG-CD2 3.73Å; E211-Y273 HydrophobicContact CG-CE2 4.22Å; E211-Y273 HydrophobicContact CG-CG 4.48Å; E211-Y273 WeakPolarHBondContact OE1-CE2 3.3Å; S271-Y273 VanDerWaalsContact C-N 3.34Å; S271-Y273 PolarHBondContact O-N 3.22Å; Y273-M348 HydrophobicContact CD2-CE 3.67Å; Y273-M348 HydrophobicContact CE2-CE 3.7Å; Y273-E349 PolarHBondContact OH-OE1 3.07Å; Y273-G390 PolarHBondContact OH-O 3.18Å; Y273-T394 HydrophobicContact CE1-CG2 4Å; Y273-W398 AromaticContact CD1-CH2 3.92Å; Y273-W398 HydrophobicContact CD1-CH2 3.92Å; Y273-W398 HydrophobicContact CD1-CZ2 4.36Å; Y273-W398 HydrophobicContact CD2-CH2 4.19Å; Y273-W398 HydrophobicContact CE1-CH2 4.27Å; Y273-W398 HydrophobicContact CE2-CH2 4.49Å; Y273-W398 AromaticContact CG-CH2 3.89Å; Y273-W398 HydrophobicContact CG-CH2 3.89Å; Y273-W398 HydrophobicContact CG-CZ2 4.44Å; Y273-N404 PolarHBondContact OH-ND2 2.98Å
274	L	98.6	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-91.2	-5.1	179.5	-65.7	171	0	0	0	113.7	N246 M270 S271 S272 A276 M348 E349 N350 N391	N246-L274 PolarHBondContact ND2-O 3.05Å; M270-L274 HydrophobicContact CE-CB 4.23Å; S271-L274 PolarHBondContact O-N 2.9Å; S272-L274 PolarHBondContact O-N 2.91Å; S272-L274 VanDerWaalsContact O-N 3.09Å; L274-A276 PolarHBondContact O-N 3.16Å; L274-M348 HydrophobicContact CD2-CE 4.32Å; L274-E349 HydrophobicContact CD2-CG 3.77Å; L274-N350 WeakPolarHBondContact O-CB 3.36Å; L274-N391 HydrophobicContact CD1-CB 4.17Å; L274-N391 VanDerWaalsContact CD1-OD1 3.22Å; L274-N391 WeakPolarHBondContact CD1-OD1 3.39Å; L274-N391 WeakPolarHBondContact CD2-OD1 3.1Å
275	L	98.8	Very high	97.9	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	13%	0.125	C	C	.	.			trans	-68.2	129	178.4	-175.7	73.7	0	0	0	109.2	I72 L210 L218 F219 F231 M270 S272	I72-L275 HydrophobicContact CD1-CD2 3.91Å; L210-L275 HydrophobicContact CD1-CB 3.88Å; L210-L275 WeakPolarHBondContact CD1-O 3.43Å; L210-L275 WeakPolarHBondContact CG-O 3.46Å; L218-L275 HydrophobicContact CD2-CD2 4.11Å; F219-L275 HydrophobicContact CD1-CD2 4.43Å; F219-L275 HydrophobicContact CE1-CD2 3.54Å; F219-L275 HydrophobicContact CZ-CD2 4.04Å; F231-L275 HydrophobicContact CB-CD1 3.96Å; F231-L275 HydrophobicContact CD1-CD1 4.45Å; F231-L275 HydrophobicContact CD1-CD2 4.48Å; F231-L275 HydrophobicContact CG-CD1 4.17Å; M270-L275 HydrophobicContact CE-CB 4.01Å; M270-L275 HydrophobicContact CE-CD1 4.05Å; S272-L275 WeakPolarHBondContact O-CB 3.47Å; S272-L275 PolarHBondContact O-N 3.27Å; S272-L275 VanDerWaalsContact O-N 3.08Å
276	A	98.4	Very high	97.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	13%	0.133	C	C	.	.			trans	-128.6	147.9	-179.3	0	0	0	0	0	113.2	T208 S245 N246 L274 N350 L353	T208-A276 VanDerWaalsContact OG1-CA 3.31Å; T208-A276 WeakPolarHBondContact OG1-CA 3.24Å; S245-A276 VanDerWaalsContact CA-O 3.31Å; S245-A276 WeakPolarHBondContact CA-O 3.2Å; S245-A276 WeakPolarHBondContact CB-O 3.32Å; S245-A276 PolarHBondContact OG-O 3.08Å; N246-A276 PolarHBondContact OD1-N 3.24Å; L274-A276 PolarHBondContact O-N 3.16Å; A276-N350 HydrophobicContact CB-CB 3.52Å; A276-L353 HydrophobicContact CB-CB 4.27Å; A276-L353 HydrophobicContact CB-CD2 3.99Å; A276-L353 HydrophobicContact CB-CG 4.35Å
277	L	98.6	Very high	97.5	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	131.7	172.1	171.7	59.8	0	0	0	109.4	L74 L183 A207 T208 L233 V235 A243 L244 I279	L74-L277 HydrophobicContact CD1-CD2 3.92Å; L183-L277 HydrophobicContact CD1-CD2 4.31Å; A207-L277 CarbonylContact C-O 3.51Å; A207-L277 VanDerWaalsContact CA-O 3.3Å; A207-L277 WeakPolarHBondContact CA-O 3.48Å; T208-L277 HydrophobicContact CG2-CB 3.87Å; T208-L277 PolarHBondContact N-O 2.92Å; T208-L277 PolarHBondContact OG1-N 3.31Å; T208-L277 PolarHBondContact OG1-O 2.95Å; L233-L277 HydrophobicContact CD2-CB 4.34Å; L233-L277 HydrophobicContact CD2-CD1 4.37Å; V235-L277 HydrophobicContact CB-CD1 4.49Å; V235-L277 HydrophobicContact CG1-CD1 4.31Å; V235-L277 HydrophobicContact CG1-CD2 4.2Å; V235-L277 HydrophobicContact CG2-CD1 3.73Å; V235-L277 HydrophobicContact CG2-CD2 3.93Å; V235-L277 HydrophobicContact CG2-CG 4.49Å; A243-L277 HydrophobicContact CB-CD1 4.45Å; L244-L277 WeakPolarHBondContact O-CA 3.28Å; L244-L277 WeakPolarHBondContact O-CD1 3.4Å; L277-I279 HydrophobicContact CD1-CG1 3.96Å; L277-I279 HydrophobicContact CD2-CD1 4.33Å; L277-I279 HydrophobicContact CG-CG1 4.26Å
278	T	98.5	Very high	96.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.8	160.7	64.1	0	0	0	0	110.5	V206 A207 A243 L244 I338 L340 L353	V206-T278 CarbonylContact O-C 3.53Å; V206-T278 VanDerWaalsContact O-CA 3.26Å; V206-T278 WeakPolarHBondContact O-CA 3.48Å; A207-T278 HydrophobicContact CB-CG2 3.96Å; A243-T278 CarbonylContact C-O 3.58Å; A243-T278 VanDerWaalsContact CA-O 3.25Å; A243-T278 WeakPolarHBondContact CA-O 3.31Å; L244-T278 WeakPolarHBondContact CB-OG1 3.21Å; L244-T278 PolarHBondContact N-O 3.03Å; L244-T278 PolarHBondContact O-N 2.72Å; T278-I338 HydrophobicContact CG2-CD1 4.24Å; T278-I338 HydrophobicContact CG2-CG2 4.39Å; T278-L340 HydrophobicContact CG2-CD2 4.46Å; T278-L353 HydrophobicContact CG2-CD2 4.32Å
279	I	98.3	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	110.8	174.2	-52.7	170.2	0	0	0	107.6	P76 F78 L205 V206 V235 H237 T241 E242 A243 L277	P76-I279 HydrophobicContact CB-CD1 4.2Å; P76-I279 HydrophobicContact CG-CD1 3.75Å; F78-I279 HydrophobicContact CE1-CB 3.91Å; F78-I279 HydrophobicContact CE1-CD1 4.16Å; F78-I279 HydrophobicContact CE1-CG2 3.75Å; F78-I279 HydrophobicContact CZ-CB 3.93Å; F78-I279 HydrophobicContact CZ-CG2 3.74Å; L205-I279 WeakPolarHBondContact CA-O 3.22Å; L205-I279 WeakPolarHBondContact CB-O 3.36Å; V206-I279 PolarHBondContact N-O 2.84Å; V206-I279 PolarHBondContact O-N 3.02Å; V235-I279 HydrophobicContact CG1-CD1 3.71Å; V235-I279 HydrophobicContact CG1-CG1 4.37Å; H237-I279 HydrophobicContact CB-CD1 4.09Å; H237-I279 HydrophobicContact CB-CG2 3.84Å; T241-I279 HydrophobicContact CG2-CG2 4.44Å; T241-I279 WeakPolarHBondContact OG1-CG2 3.5Å; E242-I279 WeakPolarHBondContact O-CA 3.32Å; A243-I279 HydrophobicContact CB-CG1 4.31Å; L277-I279 HydrophobicContact CD1-CG1 3.96Å; L277-I279 HydrophobicContact CD2-CD1 4.33Å; L277-I279 HydrophobicContact CG-CG1 4.26Å
280	S	97.2	Very high	95	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	177.1	-174.1	71.7	0	0	0	0	112.6	T241 E242 F282	T241-S280 CarbonylContact C-O 3.22Å; T241-S280 VanDerWaalsContact CA-O 3.26Å; T241-S280 WeakPolarHBondContact CA-O 3.44Å; T241-S280 WeakPolarHBondContact CB-O 3.28Å; E242-S280 PolarHBondContact N-O 2.98Å; E242-S280 PolarHBondContact O-N 3.44Å; S280-F282 VanDerWaalsContact C-N 3.33Å; S280-F282 VanDerWaalsContact OG-CB 3.29Å; S280-F282 WeakPolarHBondContact OG-CB 3.39Å; S280-F282 WeakPolarHBondContact OG-CG 3.44Å; S280-F282 PolarHBondContact OG-N 3.13Å
281	E	95.6	Very high	94.6	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.154	19%	0.193	C	C	.	.			trans	-98.6	19.9	170	-61.1	-176.4	172.5	0	0	111.6	S80 R81 R203 T241	S80-E281 WeakPolarHBondContact CB-OE1 3.36Å; S80-E281 PolarHBondContact OG-OE1 3.34Å; R81-E281 IonicContact CZ-OE1 2.68Å; R81-E281 IonicContact CZ-OE2 3.81Å; R81-E281 VanDerWaalsContact CZ-OE2 3.26Å; R81-E281 IonicContact NE-OE1 3.9Å; R81-E281 PolarHBondContact NE-OE1 2.69Å; R81-E281 VanDerWaalsContact NE-OE1 3.09Å; R81-E281 IonicContact NE-OE2 3.26Å; R81-E281 PolarHBondContact NE-OE2 3.38Å; R81-E281 IonicContact NH2-OE1 2.81Å; R81-E281 IonicContact NH2-OE2 2.7Å; R81-E281 PolarHBondContact NH2-OE2 2.89Å; R203-E281 IonicContact NE-OE2 2.8Å; T241-E281 HydrophobicContact CG2-CG 4.14Å
282	F	97.1	Very high	94.4	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.026	19%	0.193	C	C	.	.			trans	-67.4	150.6	-174.1	-75.7	12.7	0	0	0	111.8	Y188 L205 S280 A298 R299 I338 A339 L340 P341	Y188-F282 HydrophobicContact CD1-CE1 4.41Å; Y188-F282 AromaticContact CE1-CE1 3.75Å; Y188-F282 HydrophobicContact CE1-CE1 3.75Å; Y188-F282 HydrophobicContact CE1-CZ 4.49Å; Y188-F282 AromaticContact CZ-CE1 3.78Å; L205-F282 HydrophobicContact CD2-CE1 3.67Å; L205-F282 HydrophobicContact CD2-CE2 3.97Å; L205-F282 HydrophobicContact CD2-CZ 3.25Å; S280-F282 VanDerWaalsContact C-N 3.33Å; S280-F282 VanDerWaalsContact OG-CB 3.29Å; S280-F282 WeakPolarHBondContact OG-CB 3.39Å; S280-F282 WeakPolarHBondContact OG-CG 3.44Å; S280-F282 PolarHBondContact OG-N 3.13Å; F282-A298 WeakPolarHBondContact CA-O 3.3Å; F282-A298 WeakPolarHBondContact CB-O 3.44Å; F282-A298 VanDerWaalsContact CD2-C 3.45Å; F282-A298 VanDerWaalsContact CG-C 3.47Å; F282-A298 VanDerWaalsContact CG-O 3.3Å; F282-A298 WeakPolarHBondContact CG-O 3.47Å; F282-R299 HydrophobicContact CD1-CG 4.26Å; F282-R299 HydrophobicContact CE1-CB 4.26Å; F282-R299 HydrophobicContact CE1-CG 3.45Å; F282-R299 VanDerWaalsContact CE1-CG 3.45Å; F282-R299 HydrophobicContact CE2-CG 4.43Å; F282-R299 HydrophobicContact CZ-CG 3.54Å; F282-I338 HydrophobicContact CD2-CD1 3.64Å; F282-I338 HydrophobicContact CD2-CG1 3.85Å; F282-I338 HydrophobicContact CE2-CD1 4.09Å; F282-I338 HydrophobicContact CE2-CG1 4.11Å; F282-A339 WeakPolarHBondContact CE2-O 3.5Å; F282-L340 HydrophobicContact CE2-CD2 4.39Å; F282-P341 HydrophobicContact CZ-CG 4.28Å
283	K	97.1	Very high	94.3	Very high	92 Å²	92	42 Å²	42	40%	0.4	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	173.4	172	-63.1	179	-172.4	165.8	0	108.9	Y297 A298 P300 I303 D304	K283-Y297 VanDerWaalsContact O-CA 3.24Å; K283-Y297 WeakPolarHBondContact O-CA 3.32Å; K283-A298 PolarHBondContact N-O 3.23Å; K283-A298 VanDerWaalsContact N-O 3.13Å; K283-A298 PolarHBondContact O-N 3.49Å; K283-P300 HydrophobicContact CD-CB 4.1Å; K283-P300 HydrophobicContact CG-CB 4.39Å; K283-P300 HydrophobicContact CG-CG 4.38Å; K283-I303 HydrophobicContact CB-CB 4.18Å; K283-I303 HydrophobicContact CB-CG1 3.95Å; K283-I303 HydrophobicContact CB-CG2 4.07Å; K283-D304 IonicContact NZ-OD1 2.62Å; K283-D304 PolarHBondContact NZ-OD1 3.03Å; K283-D304 IonicContact NZ-OD2 3.82Å; K283-D304 PolarHBondContact NZ-OD2 2.78Å
284	F	97.8	Very high	94.2	Very high	77 Å²	77	41.9 Å²	41.9	34%	0.338	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.4	178.8	63.7	-89.5	0	0	0	113.6	T286 K295 T296 Y297	F284-T286 WeakPolarHBondContact CE2-OG1 3.11Å; F284-K295 HydrophobicContact CB-CB 4.32Å; F284-K295 HydrophobicContact CD1-CD 4.48Å; F284-K295 HydrophobicContact CD2-CB 4.21Å; F284-K295 HydrophobicContact CD2-CD 3.85Å; F284-K295 HydrophobicContact CD2-CG 3.88Å; F284-K295 HydrophobicContact CE2-CD 3.94Å; F284-K295 HydrophobicContact CE2-CG 4.23Å; F284-K295 HydrophobicContact CG-CB 4.39Å; F284-K295 HydrophobicContact CG-CD 4.15Å; F284-K295 HydrophobicContact CG-CG 4.43Å; F284-K295 HydrophobicContact CZ-CD 4.3Å; F284-T296 CarbonylContact C-O 3.51Å; F284-T296 WeakPolarHBondContact CA-O 3.19Å; F284-Y297 HydrophobicContact CB-CD1 3.66Å; F284-Y297 HydrophobicContact CB-CD2 4.18Å; F284-Y297 HydrophobicContact CB-CE1 3.73Å; F284-Y297 HydrophobicContact CB-CE2 4.26Å; F284-Y297 HydrophobicContact CB-CG 3.88Å; F284-Y297 HydrophobicContact CD1-CD1 4.18Å; F284-Y297 AromaticContact CD1-CE1 3.52Å; F284-Y297 HydrophobicContact CD1-CE1 3.52Å; F284-Y297 AromaticContact CD1-CZ 3.96Å; F284-Y297 HydrophobicContact CE1-CE1 4.49Å; F284-Y297 HydrophobicContact CG-CD1 4.36Å; F284-Y297 AromaticContact CG-CE1 3.94Å; F284-Y297 HydrophobicContact CG-CE1 3.94Å
285	T	97.4	Very high	94.1	Very high	39 Å²	39	44.9 Å²	44.9	24%	0.239	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.9	161.5	-62.5	0	0	0	0	108.9	T296 T308 A312	T285-T296 PolarHBondContact N-O 3.22Å; T285-T296 PolarHBondContact O-N 3.05Å; T285-T308 WeakPolarHBondContact CB-OG1 3.29Å; T285-T308 PolarHBondContact OG1-OG1 2.87Å; T285-A312 HydrophobicContact CG2-CB 4.14Å
286	T	95.9	Very high	94.1	Very high	75 Å²	75	44.8 Å²	44.8	46%	0.46	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.9	173.8	-50.1	0	0	0	0	109.7	F284 I294	F284-T286 WeakPolarHBondContact CE2-OG1 3.11Å; T286-I294 WeakPolarHBondContact CA-O 3.31Å
287	S	91.2	Very high	94.1	Very high	13 Å²	13	45.1 Å²	45.1	9%	0.091	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-64.3	167.8	172.5	72.2	0	0	0	0	112.4	I294 A312	S287-I294 PolarHBondContact N-O 3.1Å; S287-I294 VanDerWaalsContact N-O 3.09Å; S287-I294 WeakPolarHBondContact OG-CB 3.41Å; S287-A312 WeakPolarHBondContact CB-O 3.31Å
288	P	84.6	Confident	94.1	Very high	80 Å²	80	45 Å²	45	52%	0.519	23%	0.225	S	C	.	.	S	Bend	trans	-52.4	156	164.8	-25.1	35.3	0	0	0	112.6	N290 E313	P288-N290 PolarHBondContact O-N 3.01Å; P288-N290 VanDerWaalsContact O-N 3.14Å; P288-E313 HydrophobicContact CG-CG 4.45Å
289	E	77.8	Confident	93.9	Very high	210 Å²	210	46.2 Å²	46.2	98%	0.981	23%	0.23	S	C	*	.	S	Bend	trans	-55.4	118.2	-178.6	-105.2	-174.3	171.8	0	0	111.5
290	N	78.8	Confident	93.6	Very high	61 Å²	61	46.7 Å²	46.7	33%	0.326	23%	0.233	S	C	.	.			trans	-139.6	172.5	176.4	-159.3	-5.6	0	0	0	109.6	P288 V292	P288-N290 PolarHBondContact O-N 3.01Å; P288-N290 VanDerWaalsContact O-N 3.14Å; N290-V292 VanDerWaalsContact C-N 3.26Å; N290-V292 PolarHBondContact O-N 3.44Å
291	R	90.4	Very high	93.3	Very high	113 Å²	113	49.2 Å²	49.2	43%	0.426	24%	0.244	S	C	.	.	S	Bend	trans	-60	-37.9	175.5	-172.7	-166.3	66.9	72.8	-9.2	112	E323 Y330	R291-E323 IonicContact CZ-OE1 2.83Å; R291-E323 IonicContact NE-OE1 3.4Å; R291-E323 PolarHBondContact NE-OE1 2.69Å; R291-E323 IonicContact NH2-OE1 2.66Å; R291-E323 PolarHBondContact NH2-OE1 2.88Å; R291-Y330 PolarHBondContact NH2-O 2.82Å
292	V	94.1	Very high	93.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.239	C	C	.	.	S	Bend	trans	-98.3	129.9	177.1	-177.2	0	0	0	0	108.5	N290 I294 L319 Y330 E333 L335	N290-V292 VanDerWaalsContact C-N 3.26Å; N290-V292 PolarHBondContact O-N 3.44Å; V292-I294 HydrophobicContact CG1-CG1 4.31Å; V292-I294 PolarHBondContact O-N 3.5Å; V292-L319 HydrophobicContact CB-CD2 3.91Å; V292-L319 HydrophobicContact CG1-CD2 4.11Å; V292-L319 HydrophobicContact CG2-CD2 3.99Å; V292-Y330 HydrophobicContact CG1-CD1 3.91Å; V292-Y330 HydrophobicContact CG1-CE1 4.02Å; V292-Y330 HydrophobicContact CG2-CD1 3.8Å; V292-E333 WeakPolarHBondContact CA-O 3.17Å; V292-L335 HydrophobicContact CG1-CB 4Å
293	T	94.8	Very high	93	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.442	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107.1	174.6	-58.8	0	0	0	0	109.2	E333 D334 L335	T293-E333 PolarHBondContact N-O 3.2Å; T293-D334 VanDerWaalsContact O-CA 3.29Å; T293-D334 WeakPolarHBondContact O-CA 3.28Å; T293-L335 PolarHBondContact O-N 2.8Å
294	I	97	Very high	92.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.2	179.7	-56.2	164.2	0	0	0	109.5	T286 S287 V292 T315 A316 L319 L335	T286-I294 WeakPolarHBondContact CA-O 3.31Å; S287-I294 PolarHBondContact N-O 3.1Å; S287-I294 VanDerWaalsContact N-O 3.09Å; S287-I294 WeakPolarHBondContact OG-CB 3.41Å; V292-I294 HydrophobicContact CG1-CG1 4.31Å; V292-I294 PolarHBondContact O-N 3.5Å; I294-T315 HydrophobicContact CD1-CG2 4Å; I294-T315 HydrophobicContact CG2-CG2 3.86Å; I294-A316 HydrophobicContact CD1-CB 3.85Å; I294-L319 HydrophobicContact CD1-CD2 4.03Å; I294-L319 HydrophobicContact CG1-CD2 4.48Å; I294-L335 VanDerWaalsContact CA-O 3.29Å; I294-L335 WeakPolarHBondContact CA-O 3.24Å; I294-L335 HydrophobicContact CG1-CB 4.34Å
295	K	97.9	Very high	92.5	Very high	62 Å²	62	48.9 Å²	48.9	27%	0.27	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.8	175.7	-67.7	-177.5	178.7	-176.4	0	110.8	F284 Y297 L335 A336 Q337	F284-K295 HydrophobicContact CB-CB 4.32Å; F284-K295 HydrophobicContact CD1-CD 4.48Å; F284-K295 HydrophobicContact CD2-CB 4.21Å; F284-K295 HydrophobicContact CD2-CD 3.85Å; F284-K295 HydrophobicContact CD2-CG 3.88Å; F284-K295 HydrophobicContact CE2-CD 3.94Å; F284-K295 HydrophobicContact CE2-CG 4.23Å; F284-K295 HydrophobicContact CG-CB 4.39Å; F284-K295 HydrophobicContact CG-CD 4.15Å; F284-K295 HydrophobicContact CG-CG 4.43Å; F284-K295 HydrophobicContact CZ-CD 4.3Å; K295-Y297 HydrophobicContact CB-CD2 4.19Å; K295-Y297 HydrophobicContact CB-CE2 3.52Å; K295-Y297 HydrophobicContact CD-CE2 4.14Å; K295-Y297 VanDerWaalsContact CD-OH 3.24Å; K295-Y297 WeakPolarHBondContact CD-OH 3.47Å; K295-L335 PolarHBondContact N-O 3.05Å; K295-A336 WeakPolarHBondContact O-CA 3.39Å; K295-Q337 PolarHBondContact O-N 3.31Å
296	T	98.4	Very high	92.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.9	178.1	-52.2	0	0	0	0	109.2	F284 T285 T308 A311 A312 Q337 L361	F284-T296 CarbonylContact C-O 3.51Å; F284-T296 WeakPolarHBondContact CA-O 3.19Å; T285-T296 PolarHBondContact N-O 3.22Å; T285-T296 PolarHBondContact O-N 3.05Å; T296-T308 HydrophobicContact CG2-CG2 3.74Å; T296-A311 HydrophobicContact CG2-CB 4.24Å; T296-A312 WeakPolarHBondContact OG1-CA 3.45Å; T296-Q337 CarbonylContact C-O 3.58Å; T296-Q337 WeakPolarHBondContact CA-O 3.31Å; T296-Q337 HydrophobicContact CG2-CG 3.9Å; T296-Q337 WeakPolarHBondContact OG1-CG 3.49Å; T296-Q337 PolarHBondContact OG1-NE2 3.33Å; T296-L361 HydrophobicContact CG2-CD2 4.03Å; T296-L361 HydrophobicContact CG2-CG 4.37Å
297	Y	98.6	Very high	92.3	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141.8	-178.4	-65.5	-99.8	0	0	0	111.6	L244 K283 F284 K295 A336 Q337 I338 A339	L244-Y297 HydrophobicContact CD1-CD1 3.72Å; L244-Y297 HydrophobicContact CD1-CD2 3.71Å; L244-Y297 HydrophobicContact CD1-CE1 3.77Å; L244-Y297 HydrophobicContact CD1-CE2 3.74Å; L244-Y297 HydrophobicContact CD1-CG 3.7Å; L244-Y297 HydrophobicContact CD2-CE1 3.89Å; L244-Y297 HydrophobicContact CD2-CE2 4.21Å; L244-Y297 HydrophobicContact CG-CE1 4.41Å; K283-Y297 VanDerWaalsContact O-CA 3.24Å; K283-Y297 WeakPolarHBondContact O-CA 3.32Å; F284-Y297 HydrophobicContact CB-CD1 3.66Å; F284-Y297 HydrophobicContact CB-CD2 4.18Å; F284-Y297 HydrophobicContact CB-CE1 3.73Å; F284-Y297 HydrophobicContact CB-CE2 4.26Å; F284-Y297 HydrophobicContact CB-CG 3.88Å; F284-Y297 HydrophobicContact CD1-CD1 4.18Å; F284-Y297 AromaticContact CD1-CE1 3.52Å; F284-Y297 HydrophobicContact CD1-CE1 3.52Å; F284-Y297 AromaticContact CD1-CZ 3.96Å; F284-Y297 HydrophobicContact CE1-CE1 4.49Å; F284-Y297 HydrophobicContact CG-CD1 4.36Å; F284-Y297 AromaticContact CG-CE1 3.94Å; F284-Y297 HydrophobicContact CG-CE1 3.94Å; K295-Y297 HydrophobicContact CB-CD2 4.19Å; K295-Y297 HydrophobicContact CB-CE2 3.52Å; K295-Y297 HydrophobicContact CD-CE2 4.14Å; K295-Y297 VanDerWaalsContact CD-OH 3.24Å; K295-Y297 WeakPolarHBondContact CD-OH 3.47Å; Y297-A336 HydrophobicContact CD2-CB 4.26Å; Y297-A336 HydrophobicContact CE2-CB 3.88Å; Y297-Q337 PolarHBondContact N-O 3.49Å; Y297-I338 WeakPolarHBondContact O-CA 3.43Å; Y297-A339 PolarHBondContact O-N 2.91Å
298	A	97.4	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	175.8	172.9	0	0	0	0	0	110	F282 K283 A302 I303 T308 A339 L362	F282-A298 WeakPolarHBondContact CA-O 3.3Å; F282-A298 WeakPolarHBondContact CB-O 3.44Å; F282-A298 VanDerWaalsContact CD2-C 3.45Å; F282-A298 VanDerWaalsContact CG-C 3.47Å; F282-A298 VanDerWaalsContact CG-O 3.3Å; F282-A298 WeakPolarHBondContact CG-O 3.47Å; K283-A298 PolarHBondContact N-O 3.23Å; K283-A298 VanDerWaalsContact N-O 3.13Å; K283-A298 PolarHBondContact O-N 3.49Å; A298-A302 HydrophobicContact CB-CB 4.12Å; A298-I303 HydrophobicContact CB-CD1 3.97Å; A298-I303 HydrophobicContact CB-CG1 4.09Å; A298-T308 HydrophobicContact CB-CG2 3.66Å; A298-A339 HydrophobicContact CB-CB 4.23Å; A298-L362 HydrophobicContact CB-CD2 3.9Å
299	R	94.6	Very high	93	Very high	25 Å²	25	48.6 Å²	48.6	9%	0.094	24%	0.241	C	C	.	.			trans	-51.6	143.4	170.8	-67.3	-171.4	-69	128.7	-1.1	111	Y188 T189 F282 E301 A302 I303 E358	Y188-R299 HydrophobicContact CD2-CG 3.88Å; Y188-R299 HydrophobicContact CE2-CB 4.49Å; Y188-R299 HydrophobicContact CE2-CG 3.88Å; Y188-R299 VanDerWaalsContact CG-CD 3.45Å; Y188-R299 HydrophobicContact CG-CG 4.26Å; T189-R299 PolarHBondContact O-NH1 3.33Å; F282-R299 HydrophobicContact CD1-CG 4.26Å; F282-R299 HydrophobicContact CE1-CB 4.26Å; F282-R299 HydrophobicContact CE1-CG 3.45Å; F282-R299 VanDerWaalsContact CE1-CG 3.45Å; F282-R299 HydrophobicContact CE2-CG 4.43Å; F282-R299 HydrophobicContact CZ-CG 3.54Å; R299-E301 VanDerWaalsContact C-N 3.26Å; R299-E301 IonicContact NH1-OE2 3.45Å; R299-E301 PolarHBondContact O-N 2.96Å; R299-E301 VanDerWaalsContact O-N 3.17Å; R299-A302 PolarHBondContact O-N 2.66Å; R299-I303 PolarHBondContact O-N 3.17Å; R299-I303 VanDerWaalsContact O-N 3.17Å; R299-E358 IonicContact CZ-OE1 2.85Å; R299-E358 IonicContact CZ-OE2 3.3Å; R299-E358 IonicContact NE-OE1 3.51Å; R299-E358 PolarHBondContact NE-OE1 3.35Å; R299-E358 IonicContact NE-OE2 3.86Å; R299-E358 IonicContact NH2-OE1 3.57Å; R299-E358 PolarHBondContact NH2-OE1 3.39Å; R299-E358 IonicContact NH2-OE2 2.61Å; R299-E358 PolarHBondContact NH2-OE2 3.24Å
300	P	92.4	Very high	93.9	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.065	20%	0.198	C	C	.	.	H	α-helix	trans	-48.2	-45.4	-178.5	-31.9	37.7	0	0	0	114.2	E190 K283 A302 I303 D304	E190-P300 WeakPolarHBondContact OE1-CG 3.32Å; K283-P300 HydrophobicContact CD-CB 4.1Å; K283-P300 HydrophobicContact CG-CB 4.39Å; K283-P300 HydrophobicContact CG-CG 4.38Å; P300-A302 PolarHBondContact O-N 3.11Å; P300-I303 PolarHBondContact O-N 3.21Å; P300-D304 WeakPolarHBondContact O-CB 3.05Å; P300-D304 PolarHBondContact O-N 2.84Å
301	E	90.1	Very high	94.8	Very high	55 Å²	55	36.6 Å²	36.6	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-59.5	-43.3	178.8	-61.4	178.1	159.1	0	0	113.1	E190 T191 R299 I303 D304 A305	E190-E301 WeakPolarHBondContact CA-OE1 3.24Å; E190-E301 HydrophobicContact CG-CG 4.23Å; T191-E301 WeakPolarHBondContact CB-OE1 3.3Å; T191-E301 PolarHBondContact N-OE1 2.83Å; R299-E301 VanDerWaalsContact C-N 3.26Å; R299-E301 IonicContact NH1-OE2 3.45Å; R299-E301 PolarHBondContact O-N 2.96Å; R299-E301 VanDerWaalsContact O-N 3.17Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 2.81Å; E301-D304 PolarHBondContact O-N 2.89Å; E301-A305 VanDerWaalsContact O-CB 3.23Å; E301-A305 WeakPolarHBondContact O-CB 3.44Å; E301-A305 PolarHBondContact O-N 2.88Å
302	A	91.6	Very high	95.1	Very high	5 Å²	5	31.3 Å²	31.3	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-67.9	-34.6	179.5	0	0	0	0	0	112	A298 R299 P300 G306 H307 L362	A298-A302 HydrophobicContact CB-CB 4.12Å; R299-A302 PolarHBondContact O-N 2.66Å; P300-A302 PolarHBondContact O-N 3.11Å; A302-G306 PolarHBondContact O-N 2.76Å; A302-G306 VanDerWaalsContact O-N 3.16Å; A302-H307 HydrophobicContact CB-CB 4.4Å; A302-H307 WeakPolarHBondContact O-CB 3.14Å; A302-H307 PolarHBondContact O-N 2.77Å; A302-L362 HydrophobicContact CB-CD1 3.91Å
303	I	94.9	Very high	95.1	Very high	20 Å²	20	36 Å²	36	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-68.1	-49	173.4	-63.6	-68.2	0	0	0	110.4	K283 A298 R299 P300 E301 A305 G306 T308	K283-I303 HydrophobicContact CB-CB 4.18Å; K283-I303 HydrophobicContact CB-CG1 3.95Å; K283-I303 HydrophobicContact CB-CG2 4.07Å; A298-I303 HydrophobicContact CB-CD1 3.97Å; A298-I303 HydrophobicContact CB-CG1 4.09Å; R299-I303 PolarHBondContact O-N 3.17Å; R299-I303 VanDerWaalsContact O-N 3.17Å; P300-I303 PolarHBondContact O-N 3.21Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 2.81Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 2.72Å; I303-G306 WeakPolarHBondContact O-CA 3.38Å; I303-G306 PolarHBondContact O-N 3.03Å; I303-T308 HydrophobicContact CD1-CG2 3.48Å; I303-T308 VanDerWaalsContact CD1-CG2 3.48Å; I303-T308 WeakPolarHBondContact CD1-OG1 3.31Å
304	D	93.3	Very high	95.3	Very high	113 Å²	113	32.7 Å²	32.7	60%	0.604	16%	0.164	S	C	*	.	H	α-helix	trans	-65.6	-31.7	-177.3	-67	-27.6	0	0	0	111	K283 P300 E301 G306	K283-D304 IonicContact NZ-OD1 2.62Å; K283-D304 PolarHBondContact NZ-OD1 3.03Å; K283-D304 IonicContact NZ-OD2 3.82Å; K283-D304 PolarHBondContact NZ-OD2 2.78Å; P300-D304 WeakPolarHBondContact O-CB 3.05Å; P300-D304 PolarHBondContact O-N 2.84Å; E301-D304 PolarHBondContact O-N 2.89Å; D304-G306 VanDerWaalsContact C-N 3.32Å
305	A	91.1	Very high	95.3	Very high	64 Å²	64	32.7 Å²	32.7	53%	0.529	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.2	171	0	0	0	0	0	114.1	E301 I303 H307	E301-A305 VanDerWaalsContact O-CB 3.23Å; E301-A305 WeakPolarHBondContact O-CB 3.44Å; E301-A305 PolarHBondContact O-N 2.88Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 2.72Å; A305-H307 VanDerWaalsContact CB-NE2 3.27Å; A305-H307 WeakPolarHBondContact CB-NE2 3.4Å
306	G	94.2	Very high	95.2	Very high	16 Å²	16	30.2 Å²	30.2	17%	0.165	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	16.6	175.1	0	0	0	0	0	115.5	A302 I303 D304 T308 R309	A302-G306 PolarHBondContact O-N 2.76Å; A302-G306 VanDerWaalsContact O-N 3.16Å; I303-G306 WeakPolarHBondContact O-CA 3.38Å; I303-G306 PolarHBondContact O-N 3.03Å; D304-G306 VanDerWaalsContact C-N 3.32Å; G306-T308 PolarHBondContact O-N 3.4Å; G306-R309 WeakPolarHBondContact O-CB 3.48Å; G306-R309 PolarHBondContact O-N 3.41Å; G306-R309 VanDerWaalsContact O-N 3.16Å
307	H	94.7	Very high	95.2	Very high	30 Å²	30	34.5 Å²	34.5	14%	0.139	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.4	-174.1	-59.6	-177.7	0	0	0	113.4	A302 A305 L362 Y363 E364	A302-H307 HydrophobicContact CB-CB 4.4Å; A302-H307 WeakPolarHBondContact O-CB 3.14Å; A302-H307 PolarHBondContact O-N 2.77Å; A305-H307 VanDerWaalsContact CB-NE2 3.27Å; A305-H307 WeakPolarHBondContact CB-NE2 3.4Å; H307-L362 HydrophobicContact CB-CB 4.2Å; H307-L362 HydrophobicContact CB-CD2 4.39Å; H307-Y363 WeakPolarHBondContact CA-O 3.48Å; H307-Y363 PolarHBondContact O-N 3.33Å; H307-E364 IonicContact CE1-OE2 3.72Å; H307-E364 PolarHBondContact CE1-OE2 3.08Å; H307-E364 IonicContact NE2-OE2 2.92Å
308	T	96.8	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.5	178.3	55.5	0	0	0	0	114.2	T285 T296 A298 I303 G306 Y310 A311 A312 L362	T285-T308 WeakPolarHBondContact CB-OG1 3.29Å; T285-T308 PolarHBondContact OG1-OG1 2.87Å; T296-T308 HydrophobicContact CG2-CG2 3.74Å; A298-T308 HydrophobicContact CB-CG2 3.66Å; I303-T308 HydrophobicContact CD1-CG2 3.48Å; I303-T308 VanDerWaalsContact CD1-CG2 3.48Å; I303-T308 WeakPolarHBondContact CD1-OG1 3.31Å; G306-T308 PolarHBondContact O-N 3.4Å; T308-Y310 PolarHBondContact O-N 3.46Å; T308-A311 PolarHBondContact O-N 3.11Å; T308-A312 WeakPolarHBondContact O-CB 3.29Å; T308-A312 PolarHBondContact O-N 3.09Å; T308-L362 HydrophobicContact CG2-CD2 3.56Å
309	R	95.5	Very high	95.2	Very high	154 Å²	154	34 Å²	34	58%	0.581	17%	0.174	S	C	*	.	H	α-helix	trans	-61.1	-47.5	-171.2	-175	-178.5	-57.9	149.3	8.8	112	G306 A312 E313	G306-R309 WeakPolarHBondContact O-CB 3.48Å; G306-R309 PolarHBondContact O-N 3.41Å; G306-R309 VanDerWaalsContact O-N 3.16Å; R309-A312 PolarHBondContact O-N 3.32Å; R309-E313 WeakPolarHBondContact CG-OE1 3.47Å; R309-E313 WeakPolarHBondContact O-CG 3.36Å; R309-E313 PolarHBondContact O-N 3.47Å; R309-E313 VanDerWaalsContact O-N 3.11Å
310	Y	96.3	Very high	95.3	Very high	20 Å²	20	37.9 Å²	37.9	8%	0.078	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-49	-179.4	179.3	-117.4	0	0	0	111.6	T308 A312 E313 I314 Y363 K373 I376 T377 E420	T308-Y310 PolarHBondContact O-N 3.46Å; Y310-A312 VanDerWaalsContact C-N 3.32Å; Y310-A312 PolarHBondContact O-N 3.14Å; Y310-E313 PolarHBondContact O-N 2.85Å; Y310-E313 VanDerWaalsContact O-N 3.15Å; Y310-I314 HydrophobicContact CE1-CG2 4.33Å; Y310-I314 HydrophobicContact CE2-CB 4.22Å; Y310-I314 HydrophobicContact CE2-CG1 4.46Å; Y310-I314 WeakPolarHBondContact O-CG2 3.4Å; Y310-I314 PolarHBondContact O-N 3.43Å; Y310-Y363 HydrophobicContact CD1-CG 4.47Å; Y310-K373 HydrophobicContact CD1-CG 3.93Å; Y310-K373 HydrophobicContact CE1-CD 4.09Å; Y310-K373 VanDerWaalsContact CE1-CE 3.5Å; Y310-K373 HydrophobicContact CE1-CG 3.35Å; Y310-K373 HydrophobicContact CE2-CD 4.33Å; Y310-K373 HydrophobicContact CE2-CG 4.43Å; Y310-K373 WeakPolarHBondContact OH-CE 3.36Å; Y310-I376 HydrophobicContact CD1-CG2 4.42Å; Y310-T377 WeakPolarHBondContact CE1-OG1 3.49Å; Y310-T377 PolarHBondContact OH-OG1 2.6Å; Y310-E420 PolarHBondContact OH-OE1 3.21Å
311	A	97.3	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-42.5	177.2	0	0	0	0	0	112.1	T296 T308 E313 T315 L361 I380	T296-A311 HydrophobicContact CG2-CB 4.24Å; T308-A311 PolarHBondContact O-N 3.11Å; A311-E313 VanDerWaalsContact C-N 3.32Å; A311-E313 PolarHBondContact O-N 3.49Å; A311-T315 VanDerWaalsContact O-CB 3.29Å; A311-T315 WeakPolarHBondContact O-CB 3.29Å; A311-T315 PolarHBondContact O-N 2.98Å; A311-T315 PolarHBondContact O-OG1 3.28Å; A311-L361 HydrophobicContact CB-CD1 3.82Å; A311-L361 HydrophobicContact CB-CG 4.09Å; A311-L361 WeakPolarHBondContact CB-O 3.29Å; A311-I380 HydrophobicContact CB-CD1 3.85Å
312	A	95.9	Very high	95.9	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-35.6	177.9	0	0	0	0	0	113.2	T285 S287 T296 T308 R309 Y310	T285-A312 HydrophobicContact CG2-CB 4.14Å; S287-A312 WeakPolarHBondContact CB-O 3.31Å; T296-A312 WeakPolarHBondContact OG1-CA 3.45Å; T308-A312 WeakPolarHBondContact O-CB 3.29Å; T308-A312 PolarHBondContact O-N 3.09Å; R309-A312 PolarHBondContact O-N 3.32Å; Y310-A312 VanDerWaalsContact C-N 3.32Å; Y310-A312 PolarHBondContact O-N 3.14Å
313	E	95.4	Very high	96.2	Very high	98 Å²	98	36.1 Å²	36.1	46%	0.458	18%	0.181	S	C	.	.	H	α-helix	trans	-74.5	-51.1	178.5	-71.2	170.9	-173.9	0	0	111.5	P288 R309 Y310 A311 T315 A316 E317	P288-E313 HydrophobicContact CG-CG 4.45Å; R309-E313 WeakPolarHBondContact CG-OE1 3.47Å; R309-E313 WeakPolarHBondContact O-CG 3.36Å; R309-E313 PolarHBondContact O-N 3.47Å; R309-E313 VanDerWaalsContact O-N 3.11Å; Y310-E313 PolarHBondContact O-N 2.85Å; Y310-E313 VanDerWaalsContact O-N 3.15Å; A311-E313 VanDerWaalsContact C-N 3.32Å; A311-E313 PolarHBondContact O-N 3.49Å; E313-T315 PolarHBondContact O-N 2.98Å; E313-A316 WeakPolarHBondContact O-CB 3.24Å; E313-A316 PolarHBondContact O-N 3.21Å; E313-E317 PolarHBondContact O-N 3.4Å
314	I	97.3	Very high	96.3	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-33.5	-173.8	-158.2	59.4	0	0	0	112.4	Y310 A316 E317 I318 T377 I380 A419 E420	Y310-I314 HydrophobicContact CE1-CG2 4.33Å; Y310-I314 HydrophobicContact CE2-CB 4.22Å; Y310-I314 HydrophobicContact CE2-CG1 4.46Å; Y310-I314 WeakPolarHBondContact O-CG2 3.4Å; Y310-I314 PolarHBondContact O-N 3.43Å; I314-A316 VanDerWaalsContact C-N 3.26Å; I314-A316 PolarHBondContact O-N 2.84Å; I314-E317 PolarHBondContact O-N 3.41Å; I314-I318 HydrophobicContact CG1-CD1 3.87Å; I314-I318 HydrophobicContact CG1-CG1 4.4Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å; I314-I318 PolarHBondContact O-N 3.2Å; I314-T377 HydrophobicContact CD1-CG2 4.43Å; I314-T377 HydrophobicContact CG1-CG2 3.79Å; I314-I380 HydrophobicContact CG2-CD1 3.78Å; I314-A419 HydrophobicContact CD1-CB 3.76Å; I314-E420 HydrophobicContact CD1-CG 4.06Å
315	T	98.2	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-40.3	172.8	-62.4	0	0	0	0	110.9	I294 A311 E313 E317 L319 L335 Q337 I380 L384	I294-T315 HydrophobicContact CD1-CG2 4Å; I294-T315 HydrophobicContact CG2-CG2 3.86Å; A311-T315 VanDerWaalsContact O-CB 3.29Å; A311-T315 WeakPolarHBondContact O-CB 3.29Å; A311-T315 PolarHBondContact O-N 2.98Å; A311-T315 PolarHBondContact O-OG1 3.28Å; E313-T315 PolarHBondContact O-N 2.98Å; T315-E317 VanDerWaalsContact C-N 3.35Å; T315-E317 PolarHBondContact O-N 2.94Å; T315-L319 WeakPolarHBondContact O-CB 3.22Å; T315-L319 PolarHBondContact O-N 2.66Å; T315-L335 HydrophobicContact CG2-CD2 4.07Å; T315-Q337 PolarHBondContact OG1-NE2 3.23Å; T315-Q337 PolarHBondContact OG1-OE1 2.76Å; T315-I380 WeakPolarHBondContact OG1-CG2 3.41Å; T315-L384 HydrophobicContact CG2-CD1 3.85Å; T315-L384 HydrophobicContact CG2-CD2 4.06Å; T315-L384 HydrophobicContact CG2-CG 4.43Å
316	A	96.4	Very high	96.8	Very high	11 Å²	11	33.8 Å²	33.8	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-37.3	-179.6	0	0	0	0	0	112.3	I294 E313 I314 K320	I294-A316 HydrophobicContact CD1-CB 3.85Å; E313-A316 WeakPolarHBondContact O-CB 3.24Å; E313-A316 PolarHBondContact O-N 3.21Å; I314-A316 VanDerWaalsContact C-N 3.26Å; I314-A316 PolarHBondContact O-N 2.84Å; A316-K320 WeakPolarHBondContact O-CB 3.2Å; A316-K320 PolarHBondContact O-N 3.13Å
317	E	96.7	Very high	96.9	Very high	89 Å²	89	37.7 Å²	37.7	42%	0.416	17%	0.172	S	C	.	.	H	α-helix	trans	-69.3	-48.5	176.7	-177.7	164.8	-167.6	0	0	111.9	E313 I314 T315 K320 F321 A419	E313-E317 PolarHBondContact O-N 3.4Å; I314-E317 PolarHBondContact O-N 3.41Å; T315-E317 VanDerWaalsContact C-N 3.35Å; T315-E317 PolarHBondContact O-N 2.94Å; E317-K320 WeakPolarHBondContact O-CB 3.21Å; E317-K320 PolarHBondContact O-N 2.94Å; E317-F321 PolarHBondContact O-N 2.99Å; E317-A419 HydrophobicContact CG-CB 3.99Å
318	I	98.2	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-43.2	179.1	-67.8	164.6	0	0	0	111.4	I314 K320 F321 Y322 T377 I380 A381 L384 A415 A419	I314-I318 HydrophobicContact CG1-CD1 3.87Å; I314-I318 HydrophobicContact CG1-CG1 4.4Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å; I314-I318 PolarHBondContact O-N 3.2Å; I318-K320 VanDerWaalsContact C-N 3.27Å; I318-K320 PolarHBondContact O-N 3.36Å; I318-F321 WeakPolarHBondContact O-CB 3.32Å; I318-F321 PolarHBondContact O-N 3.43Å; I318-F321 VanDerWaalsContact O-N 3.13Å; I318-Y322 HydrophobicContact CG2-CD2 3.73Å; I318-Y322 HydrophobicContact CG2-CE2 3.39Å; I318-Y322 PolarHBondContact O-N 3.01Å; I318-T377 HydrophobicContact CD1-CG2 4.1Å; I318-I380 HydrophobicContact CD1-CG2 4.11Å; I318-A381 HydrophobicContact CD1-CB 4.05Å; I318-A381 HydrophobicContact CG2-CB 4.24Å; I318-L384 HydrophobicContact CB-CD1 3.75Å; I318-L384 HydrophobicContact CG2-CB 4.19Å; I318-L384 HydrophobicContact CG2-CD1 3.52Å; I318-A415 HydrophobicContact CG2-CB 3.92Å; I318-A419 HydrophobicContact CG1-CB 4.08Å
319	L	97.8	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-44	177.7	-176.3	69.7	0	0	0	110.5	V292 I294 T315 Y322 E323 Y330 L335 L384 W388	V292-L319 HydrophobicContact CB-CD2 3.91Å; V292-L319 HydrophobicContact CG1-CD2 4.11Å; V292-L319 HydrophobicContact CG2-CD2 3.99Å; I294-L319 HydrophobicContact CD1-CD2 4.03Å; I294-L319 HydrophobicContact CG1-CD2 4.48Å; T315-L319 WeakPolarHBondContact O-CB 3.22Å; T315-L319 PolarHBondContact O-N 2.66Å; L319-Y322 PolarHBondContact O-N 2.97Å; L319-E323 WeakPolarHBondContact O-CG 3.28Å; L319-E323 PolarHBondContact O-N 2.96Å; L319-Y330 HydrophobicContact CD1-CD2 4.33Å; L319-Y330 HydrophobicContact CD1-CG 4.24Å; L319-L335 HydrophobicContact CD2-CD2 4.49Å; L319-L384 HydrophobicContact CB-CD1 4.5Å; L319-L384 HydrophobicContact CD1-CD2 4.16Å; L319-W388 HydrophobicContact CD1-CH2 3.66Å; L319-W388 HydrophobicContact CD1-CZ3 3.97Å
320	K	96.6	Very high	97	Very high	105 Å²	105	34.4 Å²	34.4	46%	0.457	16%	0.164	S	C	.	.	H	α-helix	trans	-62	-43.7	175.9	-178.8	-175.4	171	-167.9	0	111.6	A316 E317 I318 Y322 E323 E324	A316-K320 WeakPolarHBondContact O-CB 3.2Å; A316-K320 PolarHBondContact O-N 3.13Å; E317-K320 WeakPolarHBondContact O-CB 3.21Å; E317-K320 PolarHBondContact O-N 2.94Å; I318-K320 VanDerWaalsContact C-N 3.27Å; I318-K320 PolarHBondContact O-N 3.36Å; K320-Y322 VanDerWaalsContact C-N 3.32Å; K320-Y322 PolarHBondContact O-N 2.93Å; K320-E323 PolarHBondContact O-N 3.11Å; K320-E324 WeakPolarHBondContact CE-OE1 3.4Å; K320-E324 IonicContact NZ-OE1 3.63Å; K320-E324 WeakPolarHBondContact O-CG 3.26Å; K320-E324 PolarHBondContact O-N 3.23Å
321	F	97.7	Very high	96.6	Very high	23 Å²	23	35.1 Å²	35.1	10%	0.101	18%	0.177	C	C	.	.	H	α-helix	trans	-55.2	-47.7	174.5	167.3	-94.9	0	0	0	111.3	E317 I318 E323 E324 H325 L414 A415 H418	E317-F321 PolarHBondContact O-N 2.99Å; I318-F321 WeakPolarHBondContact O-CB 3.32Å; I318-F321 PolarHBondContact O-N 3.43Å; I318-F321 VanDerWaalsContact O-N 3.13Å; F321-E323 PolarHBondContact O-N 3.46Å; F321-E324 PolarHBondContact O-N 2.9Å; F321-H325 HydrophobicContact CE1-CB 4.25Å; F321-H325 HydrophobicContact CE2-CB 4.45Å; F321-H325 HydrophobicContact CZ-CB 4.17Å; F321-H325 WeakPolarHBondContact O-CB 3.31Å; F321-H325 PolarHBondContact O-N 2.88Å; F321-L414 HydrophobicContact CZ-CB 4.24Å; F321-A415 HydrophobicContact CD1-CB 3.57Å; F321-A415 VanDerWaalsContact CE1-CA 3.49Å; F321-A415 HydrophobicContact CE1-CB 3.67Å; F321-H418 HydrophobicContact CD2-CB 3.69Å; F321-H418 AromaticContact CD2-CD2 3.61Å; F321-H418 AromaticContact CD2-CG 3.4Å; F321-H418 AromaticContact CD2-ND1 3.76Å; F321-H418 HydrophobicContact CE2-CB 3.77Å; F321-H418 AromaticContact CE2-CG 3.84Å; F321-H418 HydrophobicContact CG-CB 4.35Å; F321-H418 HydrophobicContact CZ-CB 4.49Å
322	Y	98.4	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-39.4	178.9	-74	-44.4	0	0	0	113.3	I318 L319 K320 E324 H325 F326 A381 L384 A385 W388 M411 A415	I318-Y322 HydrophobicContact CG2-CD2 3.73Å; I318-Y322 HydrophobicContact CG2-CE2 3.39Å; I318-Y322 PolarHBondContact O-N 3.01Å; L319-Y322 PolarHBondContact O-N 2.97Å; K320-Y322 VanDerWaalsContact C-N 3.32Å; K320-Y322 PolarHBondContact O-N 2.93Å; Y322-E324 VanDerWaalsContact C-N 3.29Å; Y322-E324 PolarHBondContact O-N 2.89Å; Y322-H325 PolarHBondContact O-N 3.27Å; Y322-F326 HydrophobicContact CD1-CD2 4.24Å; Y322-F326 AromaticContact CD1-CE2 3.32Å; Y322-F326 HydrophobicContact CD1-CE2 3.32Å; Y322-F326 AromaticContact CD1-CZ 3.51Å; Y322-F326 HydrophobicContact CD1-CZ 3.51Å; Y322-F326 HydrophobicContact CE1-CE2 4.18Å; Y322-F326 HydrophobicContact CE1-CZ 4.01Å; Y322-F326 HydrophobicContact CG-CD2 4.39Å; Y322-F326 AromaticContact CG-CE2 3.68Å; Y322-F326 HydrophobicContact CG-CE2 3.68Å; Y322-F326 HydrophobicContact CG-CZ 4.33Å; Y322-F326 WeakPolarHBondContact O-CB 3.28Å; Y322-F326 WeakPolarHBondContact O-CD2 3.36Å; Y322-F326 WeakPolarHBondContact O-CG 3.11Å; Y322-F326 PolarHBondContact O-N 3.38Å; Y322-A381 WeakPolarHBondContact CE2-O 3.21Å; Y322-A381 PolarHBondContact OH-O 2.87Å; Y322-A381 VanDerWaalsContact OH-O 3.08Å; Y322-L384 HydrophobicContact CD2-CB 3.95Å; Y322-L384 HydrophobicContact CE2-CB 3.76Å; Y322-A385 HydrophobicContact CE1-CB 4.34Å; Y322-A385 HydrophobicContact CE2-CB 4.07Å; Y322-W388 HydrophobicContact CD2-CZ3 4.31Å; Y322-W388 HydrophobicContact CG-CZ3 4.32Å; Y322-M411 HydrophobicContact CE1-CB 3.96Å; Y322-M411 VanDerWaalsContact OH-C 3.24Å; Y322-M411 PolarHBondContact OH-O 2.9Å; Y322-A415 HydrophobicContact CE1-CB 3.87Å; Y322-A415 HydrophobicContact CE2-CB 4.15Å; Y322-A415 VanDerWaalsContact OH-CB 3.23Å; Y322-A415 WeakPolarHBondContact OH-CB 3.4Å
323	E	97.4	Very high	96.2	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-40.2	175.3	-70.6	-169.7	129.7	0	0	112.7	R291 L319 K320 F321 D327 L328 Q329 Y330 W388	R291-E323 IonicContact CZ-OE1 2.83Å; R291-E323 IonicContact NE-OE1 3.4Å; R291-E323 PolarHBondContact NE-OE1 2.69Å; R291-E323 IonicContact NH2-OE1 2.66Å; R291-E323 PolarHBondContact NH2-OE1 2.88Å; L319-E323 WeakPolarHBondContact O-CG 3.28Å; L319-E323 PolarHBondContact O-N 2.96Å; K320-E323 PolarHBondContact O-N 3.11Å; F321-E323 PolarHBondContact O-N 3.46Å; E323-D327 WeakPolarHBondContact O-CA 3.37Å; E323-D327 PolarHBondContact O-N 3.48Å; E323-L328 PolarHBondContact O-N 2.94Å; E323-Q329 WeakPolarHBondContact OE1-CA 3.38Å; E323-Q329 PolarHBondContact OE1-OE1 3Å; E323-Y330 PolarHBondContact OE1-N 3.24Å; E323-W388 HydrophobicContact CG-CH2 4.08Å; E323-W388 HydrophobicContact CG-CZ2 3.91Å
324	E	97	Very high	96.1	Very high	118 Å²	118	38.5 Å²	38.5	55%	0.551	19%	0.194	S	C	*	.	H	α-helix	trans	-74	-44.7	177.1	-69.2	178.7	-178.1	0	0	111.5	K320 F321 Y322 D327	K320-E324 WeakPolarHBondContact CE-OE1 3.4Å; K320-E324 IonicContact NZ-OE1 3.63Å; K320-E324 WeakPolarHBondContact O-CG 3.26Å; K320-E324 PolarHBondContact O-N 3.23Å; F321-E324 PolarHBondContact O-N 2.9Å; Y322-E324 VanDerWaalsContact C-N 3.29Å; Y322-E324 PolarHBondContact O-N 2.89Å; E324-D327 PolarHBondContact O-N 2.81Å
325	H	97.4	Very high	96.1	Very high	28 Å²	28	38.4 Å²	38.4	13%	0.13	19%	0.194	C	C	.	.	H	α-helix	trans	-65.8	-44.7	-177.3	-174	73.7	0	0	0	111.5	F321 Y322 D327 D491 R495	F321-H325 HydrophobicContact CE1-CB 4.25Å; F321-H325 HydrophobicContact CE2-CB 4.45Å; F321-H325 HydrophobicContact CZ-CB 4.17Å; F321-H325 WeakPolarHBondContact O-CB 3.31Å; F321-H325 PolarHBondContact O-N 2.88Å; Y322-H325 PolarHBondContact O-N 3.27Å; H325-D327 VanDerWaalsContact C-N 3.35Å; H325-D491 IonicContact CE1-OD1 2.72Å; H325-D491 PolarHBondContact CE1-OD1 3.47Å; H325-D491 IonicContact CE1-OD2 2.88Å; H325-D491 PolarHBondContact CE1-OD2 3.39Å; H325-D491 IonicContact NE2-OD1 3.4Å; H325-R495 PolarHBondContact O-NE 3.45Å; H325-R495 PolarHBondContact O-NH2 2.89Å
326	F	97.5	Very high	96.1	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.5	178.1	-55.9	-43	0	0	0	114.1	Y322 L328 W388 F389 M411 I494 R495 L498	Y322-F326 HydrophobicContact CD1-CD2 4.24Å; Y322-F326 AromaticContact CD1-CE2 3.32Å; Y322-F326 HydrophobicContact CD1-CE2 3.32Å; Y322-F326 AromaticContact CD1-CZ 3.51Å; Y322-F326 HydrophobicContact CD1-CZ 3.51Å; Y322-F326 HydrophobicContact CE1-CE2 4.18Å; Y322-F326 HydrophobicContact CE1-CZ 4.01Å; Y322-F326 HydrophobicContact CG-CD2 4.39Å; Y322-F326 AromaticContact CG-CE2 3.68Å; Y322-F326 HydrophobicContact CG-CE2 3.68Å; Y322-F326 HydrophobicContact CG-CZ 4.33Å; Y322-F326 WeakPolarHBondContact O-CB 3.28Å; Y322-F326 WeakPolarHBondContact O-CD2 3.36Å; Y322-F326 WeakPolarHBondContact O-CG 3.11Å; Y322-F326 PolarHBondContact O-N 3.38Å; F326-L328 HydrophobicContact CB-CB 4.3Å; F326-L328 PolarHBondContact O-N 2.93Å; F326-L328 VanDerWaalsContact O-N 3.08Å; F326-W388 HydrophobicContact CD2-CB 4.25Å; F326-W388 AromaticContact CD2-CD1 3.85Å; F326-W388 AromaticContact CD2-CD2 3.7Å; F326-W388 HydrophobicContact CD2-CD2 3.7Å; F326-W388 AromaticContact CD2-CE2 3.91Å; F326-W388 HydrophobicContact CD2-CE3 4.2Å; F326-W388 AromaticContact CD2-CG 3.7Å; F326-W388 HydrophobicContact CD2-CG 3.7Å; F326-W388 AromaticContact CD2-NE1 3.96Å; F326-W388 HydrophobicContact CE2-CB 4.25Å; F326-W388 HydrophobicContact CE2-CD2 4.01Å; F326-W388 HydrophobicContact CE2-CE3 4.12Å; F326-W388 HydrophobicContact CE2-CG 4.07Å; F326-F389 AromaticContact CE1-CE2 3.64Å; F326-F389 HydrophobicContact CE1-CE2 3.64Å; F326-F389 HydrophobicContact CE1-CZ 4.11Å; F326-F389 HydrophobicContact CE2-CE2 4.23Å; F326-F389 HydrophobicContact CZ-CD2 4.29Å; F326-F389 AromaticContact CZ-CE2 3.51Å; F326-F389 HydrophobicContact CZ-CE2 3.51Å; F326-F389 HydrophobicContact CZ-CZ 4.41Å; F326-M411 HydrophobicContact CE1-CE 4.1Å; F326-M411 HydrophobicContact CE1-CG 4.49Å; F326-M411 HydrophobicContact CE1-SD 3.78Å; F326-M411 HydrophobicContact CZ-CG 4.15Å; F326-M411 HydrophobicContact CZ-SD 3.9Å; F326-I494 HydrophobicContact CD1-CG2 4.16Å; F326-I494 HydrophobicContact CE1-CG2 4.31Å; F326-R495 WeakPolarHBondContact O-CG 3.29Å; F326-L498 HydrophobicContact CB-CD1 4.02Å; F326-L498 HydrophobicContact CD1-CD1 3.84Å; F326-L498 HydrophobicContact CD2-CD1 4.33Å; F326-L498 HydrophobicContact CE1-CD1 4.43Å; F326-L498 HydrophobicContact CG-CD1 3.8Å
327	D	96.9	Very high	96.2	Very high	99 Å²	99	38.4 Å²	38.4	53%	0.529	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	40.7	-173.9	-174.3	38.3	0	0	0	111.6	E323 E324 H325 R495 K499	E323-D327 WeakPolarHBondContact O-CA 3.37Å; E323-D327 PolarHBondContact O-N 3.48Å; E324-D327 PolarHBondContact O-N 2.81Å; H325-D327 VanDerWaalsContact C-N 3.35Å; D327-R495 HydrophobicContact CB-CG 4.39Å; D327-K499 WeakPolarHBondContact O-CE 3.43Å; D327-K499 PolarHBondContact O-NZ 3.47Å; D327-K499 IonicContact OD2-NZ 3.25Å; D327-K499 PolarHBondContact OD2-NZ 3.5Å
328	L	95.9	Very high	96.3	Very high	18 Å²	18	34.1 Å²	34.1	9%	0.094	17%	0.173	C	C	.	.			trans	-150.9	112.4	-174	-179.1	59.3	0	0	0	109.2	E323 F326 W388 L498 K499	E323-L328 PolarHBondContact O-N 2.94Å; F326-L328 HydrophobicContact CB-CB 4.3Å; F326-L328 PolarHBondContact O-N 2.93Å; F326-L328 VanDerWaalsContact O-N 3.08Å; L328-W388 WeakPolarHBondContact O-CZ2 3.38Å; L328-W388 PolarHBondContact O-NE1 3.36Å; L328-L498 HydrophobicContact CD2-CB 3.98Å; L328-K499 HydrophobicContact CD1-CG 4.45Å
329	Q	95.8	Very high	96.3	Very high	94 Å²	94	34.1 Å²	34.1	44%	0.439	17%	0.173	S	C	.	.			trans	-64.1	146.7	-178.5	-62	-69.4	-63.5	0	0	112	E323 G331	E323-Q329 WeakPolarHBondContact OE1-CA 3.38Å; E323-Q329 PolarHBondContact OE1-OE1 3Å; Q329-G331 PolarHBondContact O-N 3.28Å
330	Y	96	Very high	96.2	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.012	17%	0.174	C	C	.	.			trans	-58.2	133.3	168.9	176.9	-108.6	0	0	0	110.5	R291 V292 L319 E323 M332 L335 W351 G352 Q387 W388	R291-Y330 PolarHBondContact NH2-O 2.82Å; V292-Y330 HydrophobicContact CG1-CD1 3.91Å; V292-Y330 HydrophobicContact CG1-CE1 4.02Å; V292-Y330 HydrophobicContact CG2-CD1 3.8Å; L319-Y330 HydrophobicContact CD1-CD2 4.33Å; L319-Y330 HydrophobicContact CD1-CG 4.24Å; E323-Y330 PolarHBondContact OE1-N 3.24Å; Y330-M332 VanDerWaalsContact C-N 3.3Å; Y330-M332 HydrophobicContact CD1-CB 4.34Å; Y330-M332 WeakPolarHBondContact CD1-O 3.41Å; Y330-M332 HydrophobicContact CE1-CB 3.64Å; Y330-M332 HydrophobicContact CE1-CE 4.48Å; Y330-M332 PolarHBondContact O-N 2.9Å; Y330-M332 WeakPolarHBondContact OH-CE 3.37Å; Y330-L335 HydrophobicContact CE1-CB 4.29Å; Y330-W351 AromaticContact CE2-NE1 3.85Å; Y330-G352 WeakPolarHBondContact OH-CA 3.5Å; Y330-Q387 HydrophobicContact CD2-CB 4.02Å; Y330-Q387 HydrophobicContact CE2-CB 3.86Å; Y330-Q387 HydrophobicContact CE2-CG 4.04Å; Y330-W388 HydrophobicContact CD2-CH2 4.49Å
331	G	89.6	Confident	95.9	Very high	34 Å²	34	29.6 Å²	29.6	35%	0.351	15%	0.154	S	C	.	.	S	Bend	trans	-72.8	-10.3	-165.1	0	0	0	0	0	116.7	Q329	Q329-G331 PolarHBondContact O-N 3.28Å
332	M	92.6	Very high	95.4	Very high	18 Å²	18	29.6 Å²	29.6	9%	0.089	16%	0.155	C	C	.	.	S	Bend	trans	-123	164.9	-173.9	-58.9	-168.8	-67.6	0	0	112.6	T247 P268 Y330 W351	T247-M332 HydrophobicContact CG2-SD 4.2Å; P268-M332 HydrophobicContact CG-CG 4.11Å; P268-M332 HydrophobicContact CG-SD 3.95Å; Y330-M332 VanDerWaalsContact C-N 3.3Å; Y330-M332 HydrophobicContact CD1-CB 4.34Å; Y330-M332 WeakPolarHBondContact CD1-O 3.41Å; Y330-M332 HydrophobicContact CE1-CB 3.64Å; Y330-M332 HydrophobicContact CE1-CE 4.48Å; Y330-M332 PolarHBondContact O-N 2.9Å; Y330-M332 WeakPolarHBondContact OH-CE 3.37Å; M332-W351 VanDerWaalsContact CE-CD1 3.42Å; M332-W351 HydrophobicContact CE-CG 4.04Å
333	E	91.6	Very high	95.1	Very high	118 Å²	118	29.6 Å²	29.6	55%	0.551	16%	0.155	S	C	*	.	S	Bend	trans	-81.1	-25.3	-179.6	-65.1	-178.6	158	0	0	112.1	R248 V292 T293	R248-E333 IonicContact CZ-OE2 2.72Å; R248-E333 VanDerWaalsContact CZ-OE2 3.32Å; R248-E333 IonicContact NE-OE2 3.65Å; R248-E333 PolarHBondContact NE-OE2 2.91Å; R248-E333 IonicContact NH2-OE2 3.69Å; R248-E333 PolarHBondContact NH2-OE2 3.15Å; V292-E333 WeakPolarHBondContact CA-O 3.17Å; T293-E333 PolarHBondContact N-O 3.2Å
334	D	93.6	Very high	94.5	Very high	35 Å²	35	34 Å²	34	19%	0.187	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.2	-175.4	60.2	-49	0	0	0	111.7	R248 T293	R248-D334 WeakPolarHBondContact CA-OD2 3.33Å; R248-D334 VanDerWaalsContact CB-OD2 3.24Å; R248-D334 WeakPolarHBondContact CB-OD2 3.35Å; R248-D334 PolarHBondContact N-OD2 2.91Å; R248-D334 VanDerWaalsContact N-OD2 3.14Å; T293-D334 VanDerWaalsContact O-CA 3.29Å; T293-D334 WeakPolarHBondContact O-CA 3.28Å
335	L	97.5	Very high	94.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	119.4	172.9	173.1	64.4	0	0	0	107.9	V292 T293 I294 K295 T315 L319 Y330 I354 L384	V292-L335 HydrophobicContact CG1-CB 4Å; T293-L335 PolarHBondContact O-N 2.8Å; I294-L335 VanDerWaalsContact CA-O 3.29Å; I294-L335 WeakPolarHBondContact CA-O 3.24Å; I294-L335 HydrophobicContact CG1-CB 4.34Å; K295-L335 PolarHBondContact N-O 3.05Å; T315-L335 HydrophobicContact CG2-CD2 4.07Å; L319-L335 HydrophobicContact CD2-CD2 4.49Å; Y330-L335 HydrophobicContact CE1-CB 4.29Å; L335-I354 HydrophobicContact CD1-CD1 3.94Å; L335-I354 HydrophobicContact CD1-CG1 4.11Å; L335-L384 HydrophobicContact CD2-CD2 3.58Å
336	A	98.1	Very high	93.8	Very high	10 Å²	10	32.4 Å²	32.4	8%	0.083	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.9	168.8	0	0	0	0	0	109.9	K295 Y297 G352 L353 I354	K295-A336 WeakPolarHBondContact O-CA 3.39Å; Y297-A336 HydrophobicContact CD2-CB 4.26Å; Y297-A336 HydrophobicContact CE2-CB 3.88Å; A336-G352 PolarHBondContact N-O 3.3Å; A336-L353 HydrophobicContact CB-CD1 3.57Å; A336-L353 CarbonylContact O-C 3.58Å; A336-L353 VanDerWaalsContact O-CA 3.31Å; A336-L353 WeakPolarHBondContact O-CA 3.3Å; A336-I354 PolarHBondContact O-N 2.87Å
337	Q	98.4	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.1	164.8	60	-171.1	52.1	0	0	108.7	K295 T296 Y297 T315 I354 Y356 L361	K295-Q337 PolarHBondContact O-N 3.31Å; T296-Q337 CarbonylContact C-O 3.58Å; T296-Q337 WeakPolarHBondContact CA-O 3.31Å; T296-Q337 HydrophobicContact CG2-CG 3.9Å; T296-Q337 WeakPolarHBondContact OG1-CG 3.49Å; T296-Q337 PolarHBondContact OG1-NE2 3.33Å; Y297-Q337 PolarHBondContact N-O 3.49Å; T315-Q337 PolarHBondContact OG1-NE2 3.23Å; T315-Q337 PolarHBondContact OG1-OE1 2.76Å; Q337-I354 CarbonylContact C-O 3.54Å; Q337-I354 WeakPolarHBondContact CA-O 3.37Å; Q337-I354 HydrophobicContact CB-CB 4.47Å; Q337-Y356 HydrophobicContact CB-CD2 4.31Å; Q337-Y356 HydrophobicContact CB-CE2 3.7Å; Q337-L361 HydrophobicContact CG-CD2 4.43Å
338	I	98.7	Very high	93.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.5	-173.9	-175.5	165.2	0	0	0	111.9	L244 T278 F282 Y297 L340 L353 I354 T355 Y356	L244-I338 HydrophobicContact CD1-CD1 4.27Å; T278-I338 HydrophobicContact CG2-CD1 4.24Å; T278-I338 HydrophobicContact CG2-CG2 4.39Å; F282-I338 HydrophobicContact CD2-CD1 3.64Å; F282-I338 HydrophobicContact CD2-CG1 3.85Å; F282-I338 HydrophobicContact CE2-CD1 4.09Å; F282-I338 HydrophobicContact CE2-CG1 4.11Å; Y297-I338 WeakPolarHBondContact O-CA 3.43Å; I338-L340 HydrophobicContact CD1-CD2 3.94Å; I338-L340 HydrophobicContact CG1-CD2 3.94Å; I338-L340 HydrophobicContact CG1-CG 4.47Å; I338-L340 HydrophobicContact CG2-CD2 4.42Å; I338-L340 HydrophobicContact CG2-CG 4.4Å; I338-L353 HydrophobicContact CG2-CD1 3.99Å; I338-I354 PolarHBondContact N-O 3.13Å; I338-T355 HydrophobicContact CG2-CG2 3.65Å; I338-Y356 PolarHBondContact O-N 2.9Å
339	A	97.8	Very high	94	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.8	172.5	0	0	0	0	0	109.4	F282 Y297 A298 Y356 E358 L361 L362	F282-A339 WeakPolarHBondContact CE2-O 3.5Å; Y297-A339 PolarHBondContact O-N 2.91Å; A298-A339 HydrophobicContact CB-CB 4.23Å; A339-Y356 CarbonylContact C-O 3.4Å; A339-Y356 WeakPolarHBondContact CA-O 3.39Å; A339-E358 HydrophobicContact CB-CG 4.24Å; A339-L361 HydrophobicContact CB-CB 4.1Å; A339-L361 HydrophobicContact CB-CD2 3.75Å; A339-L361 HydrophobicContact CB-CG 4.45Å; A339-L362 HydrophobicContact CB-CD1 4.28Å; A339-L362 HydrophobicContact CB-CD2 3.79Å; A339-L362 HydrophobicContact CB-CG 3.87Å
340	L	95.5	Very high	94.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.5	-179.9	-62.8	177.5	0	0	0	110.6	Y184 L205 A207 T278 F282 I338 D342 L343 T355 Y356 E358	Y184-L340 WeakPolarHBondContact OH-CD1 3.47Å; L205-L340 HydrophobicContact CD1-CD2 4.08Å; L205-L340 HydrophobicContact CD2-CD2 4.4Å; A207-L340 HydrophobicContact CB-CD1 3.86Å; A207-L340 HydrophobicContact CB-CD2 4.35Å; T278-L340 HydrophobicContact CG2-CD2 4.46Å; F282-L340 HydrophobicContact CE2-CD2 4.39Å; I338-L340 HydrophobicContact CD1-CD2 3.94Å; I338-L340 HydrophobicContact CG1-CD2 3.94Å; I338-L340 HydrophobicContact CG1-CG 4.47Å; I338-L340 HydrophobicContact CG2-CD2 4.42Å; I338-L340 HydrophobicContact CG2-CG 4.4Å; L340-D342 VanDerWaalsContact C-N 3.33Å; L340-D342 PolarHBondContact O-N 2.82Å; L340-L343 HydrophobicContact CB-CB 4.33Å; L340-L343 HydrophobicContact CD1-CD1 4.32Å; L340-T355 HydrophobicContact CD1-CG2 3.87Å; L340-Y356 PolarHBondContact N-O 3.5Å; L340-E358 PolarHBondContact O-N 3.34Å; L340-E358 VanDerWaalsContact O-N 3.14Å
341	P	90.5	Very high	94.2	Very high	8 Å²	8	23.4 Å²	23.4	5%	0.052	13%	0.129	C	C	.	.	S	Bend	trans	-60	-43.4	176.9	-23.1	34	0	0	0	112.4	Y188 L205 F282 R840	Y188-P341 HydrophobicContact CD1-CG 4.18Å; Y188-P341 HydrophobicContact CG-CG 4.24Å; L205-P341 HydrophobicContact CD2-CG 4.29Å; F282-P341 HydrophobicContact CZ-CG 4.28Å; P341-R840 PolarHBondContact O-NH1 2.81Å
342	D	88.1	Confident	94.5	Very high	23 Å²	23	21.8 Å²	21.8	12%	0.123	11%	0.113	C	C	.	.	S	Bend	trans	-122.9	123.2	175.3	-44.3	-61.6	0	0	0	109.2	L180 Y184 S186 K187 L340 R840 M842	L180-D342 HydrophobicContact CD1-CB 4.21Å; L180-D342 HydrophobicContact CD2-CB 3.58Å; Y184-D342 WeakPolarHBondContact CE2-O 3.31Å; Y184-D342 PolarHBondContact OH-O 2.88Å; S186-D342 WeakPolarHBondContact CB-OD2 3.47Å; S186-D342 PolarHBondContact OG-N 2.89Å; S186-D342 PolarHBondContact OG-OD2 3.28Å; K187-D342 PolarHBondContact N-OD2 3.21Å; L340-D342 VanDerWaalsContact C-N 3.33Å; L340-D342 PolarHBondContact O-N 2.82Å; D342-R840 IonicContact OD1-NH1 3.42Å; D342-M842 HydrophobicContact CB-SD 4.19Å
343	L	90.1	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.			trans	-150.8	131.5	172.7	177.5	68.3	0	0	0	106.6	Y184 L340 P345 Q357 M842	Y184-L343 WeakPolarHBondContact OH-CD1 3.42Å; L340-L343 HydrophobicContact CB-CB 4.33Å; L340-L343 HydrophobicContact CD1-CD1 4.32Å; L343-P345 HydrophobicContact CD1-CG 4.15Å; L343-P345 HydrophobicContact CD2-CG 4.35Å; L343-P345 WeakPolarHBondContact CD2-O 3.41Å; L343-P345 HydrophobicContact CG-CG 4.01Å; L343-P345 VanDerWaalsContact CG-O 3.31Å; L343-P345 WeakPolarHBondContact CG-O 3.39Å; L343-Q357 HydrophobicContact CB-CG 3.95Å; L343-Q357 HydrophobicContact CD2-CG 4.5Å; L343-Q357 PolarHBondContact O-NE2 3.02Å; L343-M842 VanDerWaalsContact O-CE 3.3Å; L343-M842 WeakPolarHBondContact O-CE 3.38Å
344	E	84.9	Confident	95.2	Very high	103 Å²	103	15.3 Å²	15.3	48%	0.481	8%	0.083	S	C	.	.	S	Bend	trans	-65.3	-56.7	-177.8	-168.9	-77	152.9	0	0	111.9	L180 Q357	L180-E344 HydrophobicContact CB-CB 4.1Å; L180-E344 HydrophobicContact CD1-CB 4.33Å; E344-Q357 PolarHBondContact O-NE2 3.15Å
345	P	89.1	Confident	95.4	Very high	31 Å²	31	13.7 Å²	13.7	20%	0.201	7%	0.074	C	C	.	.	S	Bend	trans	-74	165.4	173	32.8	-38.1	0	0	0	111	L343 A347 M348 Q357	L343-P345 HydrophobicContact CD1-CG 4.15Å; L343-P345 HydrophobicContact CD2-CG 4.35Å; L343-P345 WeakPolarHBondContact CD2-O 3.41Å; L343-P345 HydrophobicContact CG-CG 4.01Å; L343-P345 VanDerWaalsContact CG-O 3.31Å; L343-P345 WeakPolarHBondContact CG-O 3.39Å; P345-A347 VanDerWaalsContact C-N 3.3Å; P345-A347 WeakPolarHBondContact CB-O 3.47Å; P345-A347 PolarHBondContact O-N 3.24Å; P345-M348 HydrophobicContact CG-CB 4.48Å; P345-Q357 WeakPolarHBondContact O-CG 3.3Å; P345-Q357 PolarHBondContact O-NE2 2.9Å; P345-Q357 VanDerWaalsContact O-NE2 3.1Å
346	L	91.4	Very high	95.4	Very high	82 Å²	82	13.6 Å²	13.6	43%	0.429	7%	0.074	S	C	.	.	S	Bend	trans	-64.3	-38.8	175.5	-171.1	62.2	0	0	0	111.6	Q357 A360 V379	L346-Q357 PolarHBondContact O-N 2.77Å; L346-A360 HydrophobicContact CD1-CB 3.76Å; L346-A360 HydrophobicContact CG-CB 3.88Å; L346-V379 HydrophobicContact CD2-CG1 4.5Å; L346-V379 HydrophobicContact CD2-CG2 3.52Å; L346-V379 HydrophobicContact CG-CG1 4.46Å; L346-V379 HydrophobicContact CG-CG2 4.24Å
347	A	97.4	Very high	95.3	Very high	11 Å²	11	15.2 Å²	15.2	9%	0.091	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	171.2	172.2	0	0	0	0	0	110.7	P345 T355 Y356 V379 E383	P345-A347 VanDerWaalsContact C-N 3.3Å; P345-A347 WeakPolarHBondContact CB-O 3.47Å; P345-A347 PolarHBondContact O-N 3.24Å; A347-T355 CarbonylContact C-O 3.57Å; A347-T355 WeakPolarHBondContact CA-O 3.37Å; A347-T355 WeakPolarHBondContact CB-O 3.35Å; A347-Y356 HydrophobicContact CB-CD1 3.6Å; A347-Y356 HydrophobicContact CB-CE1 3.99Å; A347-Y356 HydrophobicContact CB-CG 4.13Å; A347-V379 HydrophobicContact CB-CG1 3.68Å; A347-E383 HydrophobicContact CB-CG 3.61Å; A347-E383 WeakPolarHBondContact CB-OE1 3.43Å
348	M	98.1	Very high	95	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.02	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	131.6	176.9	176.8	72.4	-144.1	0	0	110.1	E211 Y273 L274 P345 N350 I354 T355 E383	E211-M348 HydrophobicContact CB-CE 3.62Å; E211-M348 HydrophobicContact CB-SD 3.65Å; E211-M348 HydrophobicContact CG-CE 4.23Å; Y273-M348 HydrophobicContact CD2-CE 3.67Å; Y273-M348 HydrophobicContact CE2-CE 3.7Å; L274-M348 HydrophobicContact CD2-CE 4.32Å; P345-M348 HydrophobicContact CG-CB 4.48Å; M348-N350 VanDerWaalsContact CG-ND2 3.31Å; M348-N350 WeakPolarHBondContact CG-ND2 3.41Å; M348-N350 PolarHBondContact O-N 2.91Å; M348-N350 PolarHBondContact O-ND2 2.96Å; M348-I354 WeakPolarHBondContact O-CG2 3.39Å; M348-T355 WeakPolarHBondContact CB-OG1 3.13Å; M348-T355 PolarHBondContact N-O 2.99Å; M348-T355 PolarHBondContact O-N 3.43Å; M348-T355 VanDerWaalsContact O-N 3.13Å; M348-E383 VanDerWaalsContact C-OE2 3.22Å
349	E	98.3	Very high	94.6	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.014	9%	0.089	C	C	.	.			trans	-80.7	15.2	-160.9	73.7	-98.9	-149.8	0	0	115.6	Y273 L274 W351 E383 H386 Q387 N391	Y273-E349 PolarHBondContact OH-OE1 3.07Å; L274-E349 HydrophobicContact CD2-CG 3.77Å; E349-W351 PolarHBondContact O-N 2.9Å; E349-W351 VanDerWaalsContact O-N 3.16Å; E349-E383 WeakPolarHBondContact CA-OE2 3.35Å; E349-E383 VanDerWaalsContact CB-OE2 3.32Å; E349-E383 WeakPolarHBondContact CB-OE2 3.43Å; E349-E383 PolarHBondContact N-OE2 3.44Å; E349-H386 HydrophobicContact CB-CB 3.33Å; E349-H386 HydrophobicContact CG-CB 3.57Å; E349-H386 IonicContact OE1-ND1 2.9Å; E349-Q387 PolarHBondContact O-NE2 3.21Å; E349-N391 WeakPolarHBondContact CG-OD1 3.44Å; E349-N391 PolarHBondContact O-ND2 3.06Å
350	N	98.6	Very high	94.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.			trans	-44.5	125.3	-164.4	-48.5	-86.2	0	0	0	111.4	L274 A276 M348 G352 L353 T355	L274-N350 WeakPolarHBondContact O-CB 3.36Å; A276-N350 HydrophobicContact CB-CB 3.52Å; M348-N350 VanDerWaalsContact CG-ND2 3.31Å; M348-N350 WeakPolarHBondContact CG-ND2 3.41Å; M348-N350 PolarHBondContact O-N 2.91Å; M348-N350 PolarHBondContact O-ND2 2.96Å; N350-G352 PolarHBondContact O-N 3.1Å; N350-L353 WeakPolarHBondContact CB-O 3.38Å; N350-L353 CarbonylContact O-C 3.59Å; N350-L353 VanDerWaalsContact O-C 3.26Å; N350-L353 PolarHBondContact O-N 3.48Å; N350-T355 PolarHBondContact ND2-OG1 3.16Å
351	W	97.9	Very high	94.5	Very high	8 Å²	8	16.4 Å²	16.4	3%	0.03	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	107.8	-162.4	-163	-0.7	0	0	0	111.7	N246 P268 M270 Y330 M332 E349 N391 Q392	N246-W351 WeakPolarHBondContact CA-O 3.05Å; N246-W351 WeakPolarHBondContact CB-O 3.5Å; N246-W351 PolarHBondContact ND2-N 3.06Å; N246-W351 PolarHBondContact ND2-O 3.1Å; P268-W351 HydrophobicContact CB-CH2 4Å; P268-W351 HydrophobicContact CB-CZ2 4.42Å; P268-W351 HydrophobicContact CB-CZ3 4.21Å; P268-W351 HydrophobicContact CG-CZ2 4.49Å; M270-W351 HydrophobicContact CB-CE3 3.61Å; M270-W351 HydrophobicContact CB-CZ3 3.86Å; M270-W351 HydrophobicContact SD-CB 4.47Å; M270-W351 HydrophobicContact SD-CE3 4.49Å; Y330-W351 AromaticContact CE2-NE1 3.85Å; M332-W351 VanDerWaalsContact CE-CD1 3.42Å; M332-W351 HydrophobicContact CE-CG 4.04Å; E349-W351 PolarHBondContact O-N 2.9Å; E349-W351 VanDerWaalsContact O-N 3.16Å; W351-N391 WeakPolarHBondContact CA-ND2 3.44Å; W351-N391 HydrophobicContact CB-CB 4.16Å; W351-N391 WeakPolarHBondContact CB-ND2 3.5Å; W351-N391 HydrophobicContact CD2-CB 3.62Å; W351-N391 HydrophobicContact CE3-CB 3.81Å; W351-N391 HydrophobicContact CG-CB 3.77Å; W351-N391 HydrophobicContact CZ3-CB 4.43Å; W351-N391 VanDerWaalsContact CZ3-O 3.28Å; W351-N391 WeakPolarHBondContact CZ3-O 3.18Å; W351-Q392 HydrophobicContact CH2-CB 4.24Å; W351-Q392 HydrophobicContact CH2-CG 3.5Å; W351-Q392 VanDerWaalsContact CH2-CG 3.5Å; W351-Q392 HydrophobicContact CZ2-CB 4.36Å; W351-Q392 HydrophobicContact CZ2-CG 3.23Å
352	G	96.9	Very high	94.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-9	-178	0	0	0	0	0	116.4	N246 Y330 A336 N350	N246-G352 WeakPolarHBondContact O-CA 3.41Å; Y330-G352 WeakPolarHBondContact OH-CA 3.5Å; A336-G352 PolarHBondContact N-O 3.3Å; N350-G352 PolarHBondContact O-N 3.1Å
353	L	98.6	Very high	95	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	78.6	172.7	178.6	59.2	0	0	0	110.3	L244 A276 T278 A336 I338 N350 T355	L244-L353 HydrophobicContact CB-CD1 4.09Å; L244-L353 HydrophobicContact CB-CD2 3.8Å; L244-L353 HydrophobicContact CD1-CD1 4.19Å; A276-L353 HydrophobicContact CB-CB 4.27Å; A276-L353 HydrophobicContact CB-CD2 3.99Å; A276-L353 HydrophobicContact CB-CG 4.35Å; T278-L353 HydrophobicContact CG2-CD2 4.32Å; A336-L353 HydrophobicContact CB-CD1 3.57Å; A336-L353 CarbonylContact O-C 3.58Å; A336-L353 VanDerWaalsContact O-CA 3.31Å; A336-L353 WeakPolarHBondContact O-CA 3.3Å; I338-L353 HydrophobicContact CG2-CD1 3.99Å; N350-L353 WeakPolarHBondContact CB-O 3.38Å; N350-L353 CarbonylContact O-C 3.59Å; N350-L353 VanDerWaalsContact O-C 3.26Å; N350-L353 PolarHBondContact O-N 3.48Å; L353-T355 PolarHBondContact O-N 3.35Å
354	I	98.8	Very high	95.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.7	-178.3	-52.2	170.4	0	0	0	109.4	L335 A336 Q337 I338 M348 Y356 E383 L384	L335-I354 HydrophobicContact CD1-CD1 3.94Å; L335-I354 HydrophobicContact CD1-CG1 4.11Å; A336-I354 PolarHBondContact O-N 2.87Å; Q337-I354 CarbonylContact C-O 3.54Å; Q337-I354 WeakPolarHBondContact CA-O 3.37Å; Q337-I354 HydrophobicContact CB-CB 4.47Å; I338-I354 PolarHBondContact N-O 3.13Å; M348-I354 WeakPolarHBondContact O-CG2 3.39Å; I354-Y356 HydrophobicContact CB-CE2 3.65Å; I354-Y356 HydrophobicContact CG2-CD2 4Å; I354-Y356 HydrophobicContact CG2-CE1 4.32Å; I354-Y356 HydrophobicContact CG2-CE2 3.19Å; I354-Y356 WeakPolarHBondContact CG2-OH 3.46Å; I354-E383 HydrophobicContact CD1-CB 4.12Å; I354-E383 HydrophobicContact CG2-CB 3.59Å; I354-E383 HydrophobicContact CG2-CG 3.75Å; I354-L384 HydrophobicContact CD1-CD2 4.04Å
355	T	98.7	Very high	95.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.1	179.8	53.6	0	0	0	0	110.2	I338 L340 A347 M348 N350 L353	I338-T355 HydrophobicContact CG2-CG2 3.65Å; L340-T355 HydrophobicContact CD1-CG2 3.87Å; A347-T355 CarbonylContact C-O 3.57Å; A347-T355 WeakPolarHBondContact CA-O 3.37Å; A347-T355 WeakPolarHBondContact CB-O 3.35Å; M348-T355 WeakPolarHBondContact CB-OG1 3.13Å; M348-T355 PolarHBondContact N-O 2.99Å; M348-T355 PolarHBondContact O-N 3.43Å; M348-T355 VanDerWaalsContact O-N 3.13Å; N350-T355 PolarHBondContact ND2-OG1 3.16Å; L353-T355 PolarHBondContact O-N 3.35Å
356	Y	98.3	Very high	94.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150	-178.3	-62.5	-101.3	0	0	0	109.7	Q337 I338 A339 L340 A347 I354 A360 L361 V379 I380 E383	Q337-Y356 HydrophobicContact CB-CD2 4.31Å; Q337-Y356 HydrophobicContact CB-CE2 3.7Å; I338-Y356 PolarHBondContact O-N 2.9Å; A339-Y356 CarbonylContact C-O 3.4Å; A339-Y356 WeakPolarHBondContact CA-O 3.39Å; L340-Y356 PolarHBondContact N-O 3.5Å; A347-Y356 HydrophobicContact CB-CD1 3.6Å; A347-Y356 HydrophobicContact CB-CE1 3.99Å; A347-Y356 HydrophobicContact CB-CG 4.13Å; I354-Y356 HydrophobicContact CB-CE2 3.65Å; I354-Y356 HydrophobicContact CG2-CD2 4Å; I354-Y356 HydrophobicContact CG2-CE1 4.32Å; I354-Y356 HydrophobicContact CG2-CE2 3.19Å; I354-Y356 WeakPolarHBondContact CG2-OH 3.46Å; Y356-A360 HydrophobicContact CD1-CB 4.22Å; Y356-L361 HydrophobicContact CD1-CB 4.44Å; Y356-L361 HydrophobicContact CD1-CD1 4.06Å; Y356-L361 HydrophobicContact CD2-CD1 3.78Å; Y356-L361 HydrophobicContact CD2-CD2 3.84Å; Y356-L361 HydrophobicContact CD2-CG 4.27Å; Y356-L361 HydrophobicContact CE1-CD1 4.14Å; Y356-L361 HydrophobicContact CE2-CD1 3.87Å; Y356-L361 HydrophobicContact CE2-CD2 4.5Å; Y356-L361 HydrophobicContact CG-CB 4.03Å; Y356-L361 HydrophobicContact CG-CD1 3.88Å; Y356-L361 HydrophobicContact CG-CD2 4.18Å; Y356-L361 HydrophobicContact CG-CG 4.26Å; Y356-V379 HydrophobicContact CD1-CG1 3.95Å; Y356-V379 HydrophobicContact CE1-CG1 3.92Å; Y356-I380 HydrophobicContact CE1-CG1 4Å; Y356-E383 HydrophobicContact CE1-CB 4.39Å; Y356-E383 HydrophobicContact CE1-CG 3.74Å
357	Q	94.6	Very high	94.4	Very high	44 Å²	44	19.9 Å²	19.9	21%	0.206	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	150.3	157.4	-68.7	-178.3	8.4	0	0	109.6	L343 E344 P345 L346 G359 A360 M842	L343-Q357 HydrophobicContact CB-CG 3.95Å; L343-Q357 HydrophobicContact CD2-CG 4.5Å; L343-Q357 PolarHBondContact O-NE2 3.02Å; E344-Q357 PolarHBondContact O-NE2 3.15Å; P345-Q357 WeakPolarHBondContact O-CG 3.3Å; P345-Q357 PolarHBondContact O-NE2 2.9Å; P345-Q357 VanDerWaalsContact O-NE2 3.1Å; L346-Q357 PolarHBondContact O-N 2.77Å; Q357-G359 PolarHBondContact O-N 3.36Å; Q357-A360 HydrophobicContact CB-CB 4.48Å; Q357-A360 PolarHBondContact O-N 2.99Å; Q357-M842 HydrophobicContact CG-CE 4.13Å
358	E	92.8	Very high	93.8	Very high	11 Å²	11	19.4 Å²	19.4	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-53	-42.4	177.8	-71.7	-161.3	152.6	0	0	112.5	R299 A339 L340 A360 L361 L362	R299-E358 IonicContact CZ-OE1 2.85Å; R299-E358 IonicContact CZ-OE2 3.3Å; R299-E358 IonicContact NE-OE1 3.51Å; R299-E358 PolarHBondContact NE-OE1 3.35Å; R299-E358 IonicContact NE-OE2 3.86Å; R299-E358 IonicContact NH2-OE1 3.57Å; R299-E358 PolarHBondContact NH2-OE1 3.39Å; R299-E358 IonicContact NH2-OE2 2.61Å; R299-E358 PolarHBondContact NH2-OE2 3.24Å; A339-E358 HydrophobicContact CB-CG 4.24Å; L340-E358 PolarHBondContact O-N 3.34Å; L340-E358 VanDerWaalsContact O-N 3.14Å; E358-A360 PolarHBondContact O-N 2.9Å; E358-L361 PolarHBondContact O-N 2.8Å; E358-L362 HydrophobicContact CB-CD1 3.9Å; E358-L362 HydrophobicContact CB-CG 4.36Å; E358-L362 HydrophobicContact CG-CD1 3.99Å; E358-L362 WeakPolarHBondContact O-CB 3.43Å; E358-L362 WeakPolarHBondContact O-CG 3.27Å; E358-L362 PolarHBondContact O-N 3.04Å
359	G	90.8	Very high	93.4	Very high	15 Å²	15	19.6 Å²	19.6	16%	0.155	11%	0.112	C	C	.	.	H	α-helix	trans	-65.9	-16.1	177.2	0	0	0	0	0	114.5	Q357 H372	Q357-G359 PolarHBondContact O-N 3.36Å; G359-H372 PolarHBondContact O-NE2 3.1Å
360	A	94.4	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-94.1	-5.7	178.4	0	0	0	0	0	113.4	L346 Y356 Q357 E358 V379	L346-A360 HydrophobicContact CD1-CB 3.76Å; L346-A360 HydrophobicContact CG-CB 3.88Å; Y356-A360 HydrophobicContact CD1-CB 4.22Å; Q357-A360 HydrophobicContact CB-CB 4.48Å; Q357-A360 PolarHBondContact O-N 2.99Å; E358-A360 PolarHBondContact O-N 2.9Å; A360-V379 HydrophobicContact CB-CG1 4.24Å
361	L	96.4	Very high	92.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-133.3	-34	-174.5	-163.2	67.6	0	0	0	114.1	T296 A311 Q337 A339 Y356 E358 I380	T296-L361 HydrophobicContact CG2-CD2 4.03Å; T296-L361 HydrophobicContact CG2-CG 4.37Å; A311-L361 HydrophobicContact CB-CD1 3.82Å; A311-L361 HydrophobicContact CB-CG 4.09Å; A311-L361 WeakPolarHBondContact CB-O 3.29Å; Q337-L361 HydrophobicContact CG-CD2 4.43Å; A339-L361 HydrophobicContact CB-CB 4.1Å; A339-L361 HydrophobicContact CB-CD2 3.75Å; A339-L361 HydrophobicContact CB-CG 4.45Å; Y356-L361 HydrophobicContact CD1-CB 4.44Å; Y356-L361 HydrophobicContact CD1-CD1 4.06Å; Y356-L361 HydrophobicContact CD2-CD1 3.78Å; Y356-L361 HydrophobicContact CD2-CD2 3.84Å; Y356-L361 HydrophobicContact CD2-CG 4.27Å; Y356-L361 HydrophobicContact CE1-CD1 4.14Å; Y356-L361 HydrophobicContact CE2-CD1 3.87Å; Y356-L361 HydrophobicContact CE2-CD2 4.5Å; Y356-L361 HydrophobicContact CG-CB 4.03Å; Y356-L361 HydrophobicContact CG-CD1 3.88Å; Y356-L361 HydrophobicContact CG-CD2 4.18Å; Y356-L361 HydrophobicContact CG-CG 4.26Å; E358-L361 PolarHBondContact O-N 2.8Å; L361-I380 HydrophobicContact CD1-CD1 3.98Å; L361-I380 HydrophobicContact CD1-CG1 4Å
362	L	95.3	Very high	91.9	Very high	13 Å²	13	23.7 Å²	23.7	7%	0.068	13%	0.13	C	C	.	.			trans	-87.9	133	-175.5	-56.8	-173.6	0	0	0	110.8	A298 A302 H307 T308 A339 E358 I376	A298-L362 HydrophobicContact CB-CD2 3.9Å; A302-L362 HydrophobicContact CB-CD1 3.91Å; H307-L362 HydrophobicContact CB-CB 4.2Å; H307-L362 HydrophobicContact CB-CD2 4.39Å; T308-L362 HydrophobicContact CG2-CD2 3.56Å; A339-L362 HydrophobicContact CB-CD1 4.28Å; A339-L362 HydrophobicContact CB-CD2 3.79Å; A339-L362 HydrophobicContact CB-CG 3.87Å; E358-L362 HydrophobicContact CB-CD1 3.9Å; E358-L362 HydrophobicContact CB-CG 4.36Å; E358-L362 HydrophobicContact CG-CD1 3.99Å; E358-L362 WeakPolarHBondContact O-CB 3.43Å; E358-L362 WeakPolarHBondContact O-CG 3.27Å; E358-L362 PolarHBondContact O-N 3.04Å; L362-I376 WeakPolarHBondContact O-CD1 3.32Å
363	Y	94.1	Very high	91.8	Very high	25 Å²	25	25.5 Å²	25.5	10%	0.098	14%	0.137	C	C	.	.			trans	-126.8	118.1	177.1	-179.7	-102.1	0	0	0	110.6	H307 Y310 E365 S368 K373 I376	H307-Y363 WeakPolarHBondContact CA-O 3.48Å; H307-Y363 PolarHBondContact O-N 3.33Å; Y310-Y363 HydrophobicContact CD1-CG 4.47Å; Y363-E365 WeakPolarHBondContact CE1-OE2 3.26Å; Y363-S368 VanDerWaalsContact CE2-CB 3.5Å; Y363-K373 HydrophobicContact CD2-CB 4.04Å; Y363-K373 HydrophobicContact CD2-CD 4.49Å; Y363-K373 HydrophobicContact CD2-CG 4.08Å; Y363-K373 HydrophobicContact CE1-CD 4.25Å; Y363-K373 HydrophobicContact CE2-CB 3.69Å; Y363-K373 HydrophobicContact CE2-CD 3.98Å; Y363-K373 HydrophobicContact CE2-CG 3.92Å; Y363-I376 HydrophobicContact CD2-CD1 4.22Å
364	E	90.8	Very high	91.5	Very high	43 Å²	43	25.7 Å²	25.7	20%	0.201	14%	0.138	C	C	.	.			trans	-101.8	112.7	178	-174.1	173.2	160.1	0	0	110.8	H307 G366 V367 S368	H307-E364 IonicContact CE1-OE2 3.72Å; H307-E364 PolarHBondContact CE1-OE2 3.08Å; H307-E364 IonicContact NE2-OE2 2.92Å; E364-G366 PolarHBondContact O-N 3.48Å; E364-V367 HydrophobicContact CB-CB 4.12Å; E364-V367 HydrophobicContact CG-CB 3.84Å; E364-V367 HydrophobicContact CG-CG2 3.98Å; E364-V367 PolarHBondContact O-N 3.24Å; E364-V367 VanDerWaalsContact O-N 3.13Å; E364-V367 VanDerWaalsContact OE1-CG2 3.25Å; E364-V367 WeakPolarHBondContact OE1-CG2 3.29Å; E364-S368 PolarHBondContact N-OG 3.42Å; E364-S368 WeakPolarHBondContact O-CB 3.4Å; E364-S368 PolarHBondContact O-N 2.75Å; E364-S368 PolarHBondContact O-OG 2.88Å
365	E	85.9	Confident	91.3	Very high	154 Å²	154	28.6 Å²	28.6	72%	0.72	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	125.8	-178.9	-173.8	70	-142.9	0	0	111.3	Y363 V367	Y363-E365 WeakPolarHBondContact CE1-OE2 3.26Å; E365-V367 VanDerWaalsContact C-N 3.28Å; E365-V367 PolarHBondContact O-N 3.48Å
366	G	81.4	Confident	91.2	Very high	51 Å²	51	28.5 Å²	28.5	53%	0.526	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-5.4	-178.5	0	0	0	0	0	115.2	E364 T775	E364-G366 PolarHBondContact O-N 3.48Å; G366-T775 VanDerWaalsContact O-CG2 3.31Å; G366-T775 WeakPolarHBondContact O-CG2 3.41Å
367	V	83.3	Confident	91.1	Very high	33 Å²	33	28.5 Å²	28.5	20%	0.2	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-51.5	174.5	179.5	0	0	0	0	111.1	E364 E365 T775 D806 E809	E364-V367 HydrophobicContact CB-CB 4.12Å; E364-V367 HydrophobicContact CG-CB 3.84Å; E364-V367 HydrophobicContact CG-CG2 3.98Å; E364-V367 PolarHBondContact O-N 3.24Å; E364-V367 VanDerWaalsContact O-N 3.13Å; E364-V367 VanDerWaalsContact OE1-CG2 3.25Å; E364-V367 WeakPolarHBondContact OE1-CG2 3.29Å; E365-V367 VanDerWaalsContact C-N 3.28Å; E365-V367 PolarHBondContact O-N 3.48Å; V367-T775 WeakPolarHBondContact O-CB 3.48Å; V367-T775 WeakPolarHBondContact O-CG2 3.35Å; V367-D806 HydrophobicContact CG1-CB 3.89Å; V367-E809 HydrophobicContact CG1-CB 4.46Å
368	S	86.5	Confident	91.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.154	C	C	.	.	S	Bend	trans	-69.2	141	174.6	-52.9	0	0	0	0	110.9	Y363 E364	Y363-S368 VanDerWaalsContact CE2-CB 3.5Å; E364-S368 PolarHBondContact N-OG 3.42Å; E364-S368 WeakPolarHBondContact O-CB 3.4Å; E364-S368 PolarHBondContact O-N 2.75Å; E364-S368 PolarHBondContact O-OG 2.88Å
369	S	88.3	Confident	91.5	Very high	9 Å²	9	28 Å²	28	6%	0.063	16%	0.156	C	C	.	.			trans	-77	160.6	179.4	71	0	0	0	0	111.9	L371 H372 K373 N776	S369-L371 PolarHBondContact O-N 3.41Å; S369-H372 WeakPolarHBondContact O-CB 3.32Å; S369-H372 PolarHBondContact O-N 3.08Å; S369-H372 VanDerWaalsContact OG-CB 3.29Å; S369-H372 WeakPolarHBondContact OG-CB 3.4Å; S369-H372 PolarHBondContact OG-N 3.29Å; S369-K373 PolarHBondContact O-N 3.09Å; S369-N776 WeakPolarHBondContact CB-OD1 3.45Å
370	W	87.6	Confident	91.9	Very high	52 Å²	52	27.3 Å²	27.3	20%	0.197	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-32.5	173	-165.7	41.1	0	0	0	111.7	H372 K373 E374 K422 F423 H732 N776	W370-H372 VanDerWaalsContact C-N 3.29Å; W370-H372 PolarHBondContact O-N 3.35Å; W370-K373 VanDerWaalsContact O-CB 3.25Å; W370-K373 WeakPolarHBondContact O-CB 3.5Å; W370-K373 PolarHBondContact O-N 3.43Å; W370-E374 PolarHBondContact O-N 3.06Å; W370-K422 HydrophobicContact CH2-CB 4.19Å; W370-K422 HydrophobicContact CZ2-CB 3.92Å; W370-F423 AromaticContact CD1-CE1 3.84Å; W370-F423 HydrophobicContact CD2-CE1 4.35Å; W370-F423 AromaticContact CE2-CE1 3.69Å; W370-F423 HydrophobicContact CG-CE1 4.47Å; W370-F423 HydrophobicContact CZ2-CD1 4.04Å; W370-F423 HydrophobicContact CZ2-CE1 4.14Å; W370-F423 AromaticContact NE1-CE1 3.3Å; W370-F423 VanDerWaalsContact NE1-CE1 3.3Å; W370-H732 AromaticContact CD2-CD2 3.55Å; W370-H732 AromaticContact CD2-NE2 3.91Å; W370-H732 AromaticContact CE2-CD2 3.75Å; W370-H732 HydrophobicContact CE3-CB 4.27Å; W370-H732 AromaticContact CE3-CD2 3.12Å; W370-H732 AromaticContact CE3-CG 3.86Å; W370-H732 AromaticContact CE3-NE2 3.7Å; W370-H732 HydrophobicContact CH2-CB 3.61Å; W370-H732 AromaticContact CH2-CD2 3.37Å; W370-H732 WeakPolarHBondContact CH2-CD2 3.36Å; W370-H732 AromaticContact CH2-CG 3.87Å; W370-H732 AromaticContact CZ2-CD2 3.66Å; W370-H732 VanDerWaalsContact CZ3-CA 3.48Å; W370-H732 HydrophobicContact CZ3-CB 3.42Å; W370-H732 VanDerWaalsContact CZ3-CB 3.42Å; W370-H732 AromaticContact CZ3-CD2 3.1Å; W370-H732 WeakPolarHBondContact CZ3-CD2 3.39Å; W370-H732 AromaticContact CZ3-CG 3.5Å; W370-N776 PolarHBondContact N-OD1 3.41Å
371	L	87.2	Confident	92.1	Very high	26 Å²	26	27.3 Å²	27.3	14%	0.136	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-35.4	172.7	-54.9	-173.1	0	0	0	112.2	S369 K373 E374 V375 H732 H736 I739	S369-L371 PolarHBondContact O-N 3.41Å; L371-K373 VanDerWaalsContact C-N 3.34Å; L371-E374 WeakPolarHBondContact O-CB 3.28Å; L371-E374 PolarHBondContact O-N 3.42Å; L371-V375 PolarHBondContact O-N 3.2Å; L371-H732 WeakPolarHBondContact CD2-CE1 3.42Å; L371-H736 WeakPolarHBondContact CD2-CE1 3.2Å; L371-I739 HydrophobicContact CD1-CD1 3.25Å
372	H	90.1	Very high	92.2	Very high	19 Å²	19	28.5 Å²	28.5	9%	0.088	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-35.8	174.7	-177.4	-149.8	0	0	0	111.5	G359 S369 W370 E374 V375 I376 S808	G359-H372 PolarHBondContact O-NE2 3.1Å; S369-H372 WeakPolarHBondContact O-CB 3.32Å; S369-H372 PolarHBondContact O-N 3.08Å; S369-H372 VanDerWaalsContact OG-CB 3.29Å; S369-H372 WeakPolarHBondContact OG-CB 3.4Å; S369-H372 PolarHBondContact OG-N 3.29Å; W370-H372 VanDerWaalsContact C-N 3.29Å; W370-H372 PolarHBondContact O-N 3.35Å; H372-E374 VanDerWaalsContact C-N 3.3Å; H372-E374 PolarHBondContact O-N 2.82Å; H372-V375 PolarHBondContact O-N 3.2Å; H372-I376 WeakPolarHBondContact O-CG1 3.38Å; H372-I376 PolarHBondContact O-N 2.85Å; H372-S808 VanDerWaalsContact CE1-CB 3.45Å; H372-S808 WeakPolarHBondContact CE1-CB 3.44Å; H372-S808 PolarHBondContact CE1-OG 3.15Å; H372-S808 VanDerWaalsContact ND1-CB 3.28Å; H372-S808 WeakPolarHBondContact ND1-CB 3.27Å; H372-S808 PolarHBondContact ND1-OG 3.27Å
373	K	93.4	Very high	92.4	Very high	38 Å²	38	28.4 Å²	28.4	17%	0.165	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-39.6	171.5	-160.7	176.2	-179.6	168.7	0	112.3	Y310 Y363 S369 W370 L371 T377 F423	Y310-K373 HydrophobicContact CD1-CG 3.93Å; Y310-K373 HydrophobicContact CE1-CD 4.09Å; Y310-K373 VanDerWaalsContact CE1-CE 3.5Å; Y310-K373 HydrophobicContact CE1-CG 3.35Å; Y310-K373 HydrophobicContact CE2-CD 4.33Å; Y310-K373 HydrophobicContact CE2-CG 4.43Å; Y310-K373 WeakPolarHBondContact OH-CE 3.36Å; Y363-K373 HydrophobicContact CD2-CB 4.04Å; Y363-K373 HydrophobicContact CD2-CD 4.49Å; Y363-K373 HydrophobicContact CD2-CG 4.08Å; Y363-K373 HydrophobicContact CE1-CD 4.25Å; Y363-K373 HydrophobicContact CE2-CB 3.69Å; Y363-K373 HydrophobicContact CE2-CD 3.98Å; Y363-K373 HydrophobicContact CE2-CG 3.92Å; S369-K373 PolarHBondContact O-N 3.09Å; W370-K373 VanDerWaalsContact O-CB 3.25Å; W370-K373 WeakPolarHBondContact O-CB 3.5Å; W370-K373 PolarHBondContact O-N 3.43Å; L371-K373 VanDerWaalsContact C-N 3.34Å; K373-T377 PolarHBondContact O-N 3.32Å; K373-T377 PolarHBondContact O-OG1 2.97Å; K373-F423 HydrophobicContact CB-CZ 4.38Å; K373-F423 HydrophobicContact CG-CZ 4.29Å
374	E	93.7	Very high	92.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-50.7	172.1	-172.3	-155.5	88.3	0	0	110.8	W370 L371 H372 I376 T377 T378 F423 I425 K428 H732 H736	W370-E374 PolarHBondContact O-N 3.06Å; L371-E374 WeakPolarHBondContact O-CB 3.28Å; L371-E374 PolarHBondContact O-N 3.42Å; H372-E374 VanDerWaalsContact C-N 3.3Å; H372-E374 PolarHBondContact O-N 2.82Å; E374-I376 PolarHBondContact O-N 3.35Å; E374-T377 PolarHBondContact O-N 2.85Å; E374-T378 PolarHBondContact O-N 2.96Å; E374-T378 PolarHBondContact O-OG1 2.99Å; E374-T378 VanDerWaalsContact O-OG1 3.11Å; E374-F423 HydrophobicContact CB-CD1 4.2Å; E374-F423 HydrophobicContact CB-CD2 4.33Å; E374-F423 HydrophobicContact CB-CE1 4.08Å; E374-F423 HydrophobicContact CB-CE2 4.28Å; E374-F423 HydrophobicContact CB-CG 4.31Å; E374-F423 HydrophobicContact CB-CZ 4.16Å; E374-F423 HydrophobicContact CG-CB 4.26Å; E374-F423 HydrophobicContact CG-CD1 4.32Å; E374-F423 HydrophobicContact CG-CD2 4.09Å; E374-F423 HydrophobicContact CG-CG 4.01Å; E374-I425 HydrophobicContact CG-CD1 3.54Å; E374-K428 WeakPolarHBondContact OE1-CD 3.47Å; E374-K428 WeakPolarHBondContact OE1-CE 3.46Å; E374-H732 IonicContact OE2-CE1 3.95Å; E374-H732 PolarHBondContact OE2-CE1 3.4Å; E374-H732 IonicContact OE2-ND1 3.4Å; E374-H732 IonicContact OE2-NE2 2.87Å; E374-H732 PolarHBondContact OE2-NE2 3.39Å; E374-H736 IonicContact OE2-NE2 3.21Å; E374-H736 PolarHBondContact OE2-NE2 3.16Å
375	V	93.1	Very high	93	Very high	61 Å²	61	25.1 Å²	25.1	37%	0.37	14%	0.139	S	C	.	.	H	α-helix	trans	-57.5	-49.9	177.5	173.6	0	0	0	0	111.9	L371 H372 T377 T378 V379	L371-V375 PolarHBondContact O-N 3.2Å; H372-V375 PolarHBondContact O-N 3.2Å; V375-T377 VanDerWaalsContact C-N 3.25Å; V375-T377 PolarHBondContact O-N 3.5Å; V375-T378 PolarHBondContact O-N 2.79Å; V375-V379 HydrophobicContact CG1-CG2 4.33Å; V375-V379 WeakPolarHBondContact O-CG2 3.32Å; V375-V379 PolarHBondContact O-N 2.97Å
376	I	96.3	Very high	93.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.5	-44.3	178.2	-69.3	166.7	0	0	0	110.6	Y310 L362 Y363 H372 E374 V379 I380	Y310-I376 HydrophobicContact CD1-CG2 4.42Å; L362-I376 WeakPolarHBondContact O-CD1 3.32Å; Y363-I376 HydrophobicContact CD2-CD1 4.22Å; H372-I376 WeakPolarHBondContact O-CG1 3.38Å; H372-I376 PolarHBondContact O-N 2.85Å; E374-I376 PolarHBondContact O-N 3.35Å; I376-V379 PolarHBondContact O-N 2.92Å; I376-I380 HydrophobicContact CG2-CD1 3.71Å; I376-I380 HydrophobicContact CG2-CG1 4.48Å; I376-I380 WeakPolarHBondContact O-CB 3.36Å; I376-I380 VanDerWaalsContact O-CG1 3.25Å; I376-I380 WeakPolarHBondContact O-CG1 3.34Å; I376-I380 PolarHBondContact O-N 3.36Å
377	T	97.8	Very high	94.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-42.4	-178	-50.3	0	0	0	0	111.8	Y310 I314 I318 K373 E374 V375 I380 A381 V416 E420 F423	Y310-T377 WeakPolarHBondContact CE1-OG1 3.49Å; Y310-T377 PolarHBondContact OH-OG1 2.6Å; I314-T377 HydrophobicContact CD1-CG2 4.43Å; I314-T377 HydrophobicContact CG1-CG2 3.79Å; I318-T377 HydrophobicContact CD1-CG2 4.1Å; K373-T377 PolarHBondContact O-N 3.32Å; K373-T377 PolarHBondContact O-OG1 2.97Å; E374-T377 PolarHBondContact O-N 2.85Å; V375-T377 VanDerWaalsContact C-N 3.25Å; V375-T377 PolarHBondContact O-N 3.5Å; T377-I380 PolarHBondContact O-N 2.91Å; T377-A381 WeakPolarHBondContact O-CB 3.47Å; T377-A381 PolarHBondContact O-N 2.9Å; T377-V416 HydrophobicContact CG2-CG1 4.38Å; T377-V416 HydrophobicContact CG2-CG2 4.13Å; T377-E420 HydrophobicContact CG2-CG 4.37Å; T377-F423 HydrophobicContact CG2-CE2 4.25Å
378	T	97.4	Very high	95.1	Very high	28 Å²	28	13.9 Å²	13.9	17%	0.172	7%	0.071	C	C	.	.	H	α-helix	trans	-64.3	-43.5	177.9	-58.3	0	0	0	0	111.7	E374 V375 A381 H382	E374-T378 PolarHBondContact O-N 2.96Å; E374-T378 PolarHBondContact O-OG1 2.99Å; E374-T378 VanDerWaalsContact O-OG1 3.11Å; V375-T378 PolarHBondContact O-N 2.79Å; T378-A381 PolarHBondContact O-N 3.26Å; T378-H382 PolarHBondContact O-N 3.42Å
379	V	98.2	Very high	95.7	Very high	17 Å²	17	13.9 Å²	13.9	10%	0.103	7%	0.071	C	C	.	.	H	α-helix	trans	-65.4	-46.8	177.4	-179	0	0	0	0	110.6	L346 A347 Y356 A360 V375 I376 A381 H382 E383	L346-V379 HydrophobicContact CD2-CG1 4.5Å; L346-V379 HydrophobicContact CD2-CG2 3.52Å; L346-V379 HydrophobicContact CG-CG1 4.46Å; L346-V379 HydrophobicContact CG-CG2 4.24Å; A347-V379 HydrophobicContact CB-CG1 3.68Å; Y356-V379 HydrophobicContact CD1-CG1 3.95Å; Y356-V379 HydrophobicContact CE1-CG1 3.92Å; A360-V379 HydrophobicContact CB-CG1 4.24Å; V375-V379 HydrophobicContact CG1-CG2 4.33Å; V375-V379 WeakPolarHBondContact O-CG2 3.32Å; V375-V379 PolarHBondContact O-N 2.97Å; I376-V379 PolarHBondContact O-N 2.92Å; V379-A381 PolarHBondContact O-N 2.94Å; V379-H382 WeakPolarHBondContact O-CB 3.47Å; V379-H382 PolarHBondContact O-N 3.05Å; V379-H382 VanDerWaalsContact O-N 3.14Å; V379-E383 HydrophobicContact CG1-CG 4.35Å; V379-E383 WeakPolarHBondContact O-CG 3.2Å; V379-E383 PolarHBondContact O-N 3.42Å
380	I	98.8	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-56.2	-42.1	174.7	-69.7	168.5	0	0	0	111	A311 I314 T315 I318 Y356 L361 I376 T377 L384	A311-I380 HydrophobicContact CB-CD1 3.85Å; I314-I380 HydrophobicContact CG2-CD1 3.78Å; T315-I380 WeakPolarHBondContact OG1-CG2 3.41Å; I318-I380 HydrophobicContact CD1-CG2 4.11Å; Y356-I380 HydrophobicContact CE1-CG1 4Å; L361-I380 HydrophobicContact CD1-CD1 3.98Å; L361-I380 HydrophobicContact CD1-CG1 4Å; I376-I380 HydrophobicContact CG2-CD1 3.71Å; I376-I380 HydrophobicContact CG2-CG1 4.48Å; I376-I380 WeakPolarHBondContact O-CB 3.36Å; I376-I380 VanDerWaalsContact O-CG1 3.25Å; I376-I380 WeakPolarHBondContact O-CG1 3.34Å; I376-I380 PolarHBondContact O-N 3.36Å; T377-I380 PolarHBondContact O-N 2.91Å; I380-L384 HydrophobicContact CG2-CD1 3.76Å; I380-L384 HydrophobicContact CG2-CG 4.3Å; I380-L384 VanDerWaalsContact O-CB 3.3Å; I380-L384 WeakPolarHBondContact O-CB 3.4Å; I380-L384 WeakPolarHBondContact O-CG 3.27Å; I380-L384 PolarHBondContact O-N 3.36Å
381	A	98.8	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.6	-42.9	178	0	0	0	0	0	112.6	I318 Y322 T377 T378 V379 L384 A385 A415 V416	I318-A381 HydrophobicContact CD1-CB 4.05Å; I318-A381 HydrophobicContact CG2-CB 4.24Å; Y322-A381 WeakPolarHBondContact CE2-O 3.21Å; Y322-A381 PolarHBondContact OH-O 2.87Å; Y322-A381 VanDerWaalsContact OH-O 3.08Å; T377-A381 WeakPolarHBondContact O-CB 3.47Å; T377-A381 PolarHBondContact O-N 2.9Å; T378-A381 PolarHBondContact O-N 3.26Å; V379-A381 PolarHBondContact O-N 2.94Å; A381-L384 PolarHBondContact O-N 2.9Å; A381-A385 PolarHBondContact O-N 3.04Å; A381-A415 HydrophobicContact CB-CB 4.12Å; A381-V416 HydrophobicContact CB-CG2 3.84Å
382	H	98.8	Very high	96.9	Very high	24 Å²	24	9.8 Å²	9.8	11%	0.111	5%	0.052	C	C	.	.	H	α-helix	trans	-56.8	-54	175.4	-170.8	93.1	0	0	0	111.5	T378 V379 L384 A385 H386 E405 A408 T409	T378-H382 PolarHBondContact O-N 3.42Å; V379-H382 WeakPolarHBondContact O-CB 3.47Å; V379-H382 PolarHBondContact O-N 3.05Å; V379-H382 VanDerWaalsContact O-N 3.14Å; H382-L384 VanDerWaalsContact C-N 3.29Å; H382-L384 PolarHBondContact O-N 3.27Å; H382-A385 WeakPolarHBondContact O-CB 3.4Å; H382-A385 PolarHBondContact O-N 2.87Å; H382-A385 VanDerWaalsContact O-N 3.1Å; H382-H386 AromaticContact CD2-CD2 3.53Å; H382-H386 AromaticContact CD2-NE2 3.32Å; H382-H386 PolarHBondContact CD2-NE2 3.12Å; H382-H386 VanDerWaalsContact CD2-NE2 3.32Å; H382-H386 AromaticContact CE1-NE2 3.9Å; H382-H386 AromaticContact NE2-CD2 3.69Å; H382-H386 AromaticContact NE2-CE1 3.97Å; H382-H386 AromaticContact NE2-NE2 2.94Å; H382-H386 PolarHBondContact NE2-NE2 3.03Å; H382-H386 PolarHBondContact O-CD2 3.17Å; H382-H386 PolarHBondContact O-N 3.27Å; H382-E405 IonicContact CE1-OE2 3.59Å; H382-E405 PolarHBondContact CE1-OE2 3.47Å; H382-E405 IonicContact NE2-OE2 3.64Å; H382-E405 PolarHBondContact NE2-OE2 3.47Å; H382-A408 VanDerWaalsContact CE1-CB 3.42Å; H382-A408 WeakPolarHBondContact CE1-CB 3.4Å; H382-A408 VanDerWaalsContact ND1-C 3.32Å; H382-T409 PolarHBondContact CE1-N 3.1Å; H382-T409 PolarHBondContact CE1-OG1 2.99Å; H382-T409 PolarHBondContact ND1-N 2.93Å
383	E	98.8	Very high	97.3	Very high	11 Å²	11	9 Å²	9	5%	0.051	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-32.2	-179.5	-59.3	-48.2	131.5	0	0	113.6	A347 M348 E349 I354 Y356 V379 Q387	A347-E383 HydrophobicContact CB-CG 3.61Å; A347-E383 WeakPolarHBondContact CB-OE1 3.43Å; M348-E383 VanDerWaalsContact C-OE2 3.22Å; E349-E383 WeakPolarHBondContact CA-OE2 3.35Å; E349-E383 VanDerWaalsContact CB-OE2 3.32Å; E349-E383 WeakPolarHBondContact CB-OE2 3.43Å; E349-E383 PolarHBondContact N-OE2 3.44Å; I354-E383 HydrophobicContact CD1-CB 4.12Å; I354-E383 HydrophobicContact CG2-CB 3.59Å; I354-E383 HydrophobicContact CG2-CG 3.75Å; Y356-E383 HydrophobicContact CE1-CB 4.39Å; Y356-E383 HydrophobicContact CE1-CG 3.74Å; V379-E383 HydrophobicContact CG1-CG 4.35Å; V379-E383 WeakPolarHBondContact O-CG 3.2Å; V379-E383 PolarHBondContact O-N 3.42Å; E383-Q387 PolarHBondContact O-NE2 2.91Å
384	L	98.7	Very high	97.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-72.4	-35.7	174.9	-75.4	177.7	0	0	0	112.1	T315 I318 L319 Y322 L335 I354 I380 A381 H382 H386 Q387 W388	T315-L384 HydrophobicContact CG2-CD1 3.85Å; T315-L384 HydrophobicContact CG2-CD2 4.06Å; T315-L384 HydrophobicContact CG2-CG 4.43Å; I318-L384 HydrophobicContact CB-CD1 3.75Å; I318-L384 HydrophobicContact CG2-CB 4.19Å; I318-L384 HydrophobicContact CG2-CD1 3.52Å; L319-L384 HydrophobicContact CB-CD1 4.5Å; L319-L384 HydrophobicContact CD1-CD2 4.16Å; Y322-L384 HydrophobicContact CD2-CB 3.95Å; Y322-L384 HydrophobicContact CE2-CB 3.76Å; L335-L384 HydrophobicContact CD2-CD2 3.58Å; I354-L384 HydrophobicContact CD1-CD2 4.04Å; I380-L384 HydrophobicContact CG2-CD1 3.76Å; I380-L384 HydrophobicContact CG2-CG 4.3Å; I380-L384 VanDerWaalsContact O-CB 3.3Å; I380-L384 WeakPolarHBondContact O-CB 3.4Å; I380-L384 WeakPolarHBondContact O-CG 3.27Å; I380-L384 PolarHBondContact O-N 3.36Å; A381-L384 PolarHBondContact O-N 2.9Å; H382-L384 VanDerWaalsContact C-N 3.29Å; H382-L384 PolarHBondContact O-N 3.27Å; L384-H386 PolarHBondContact O-N 3.41Å; L384-Q387 HydrophobicContact CD2-CG 4.47Å; L384-Q387 VanDerWaalsContact O-CB 3.29Å; L384-Q387 WeakPolarHBondContact O-CB 3.46Å; L384-Q387 VanDerWaalsContact O-CG 3.31Å; L384-Q387 WeakPolarHBondContact O-CG 3.16Å; L384-Q387 PolarHBondContact O-N 3.18Å; L384-W388 WeakPolarHBondContact O-CZ3 3.42Å
385	A	98.8	Very high	97.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.7	-37.4	174.1	0	0	0	0	0	111.1	Y322 A381 H382 Q387 W388 F389 A408 M411	Y322-A385 HydrophobicContact CE1-CB 4.34Å; Y322-A385 HydrophobicContact CE2-CB 4.07Å; A381-A385 PolarHBondContact O-N 3.04Å; H382-A385 WeakPolarHBondContact O-CB 3.4Å; H382-A385 PolarHBondContact O-N 2.87Å; H382-A385 VanDerWaalsContact O-N 3.1Å; A385-Q387 PolarHBondContact O-N 3.23Å; A385-Q387 VanDerWaalsContact O-N 3.15Å; A385-W388 PolarHBondContact O-N 2.83Å; A385-F389 PolarHBondContact O-N 2.92Å; A385-A408 HydrophobicContact CB-CB 4.17Å; A385-M411 HydrophobicContact CB-CB 3.88Å
386	H	98.7	Very high	98	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-60.6	-23.6	177	-79.7	-58.8	0	0	0	114.7	E349 H382 L384 W388 F389 N391 E405 A408	E349-H386 HydrophobicContact CB-CB 3.33Å; E349-H386 HydrophobicContact CG-CB 3.57Å; E349-H386 IonicContact OE1-ND1 2.9Å; H382-H386 AromaticContact CD2-CD2 3.53Å; H382-H386 AromaticContact CD2-NE2 3.32Å; H382-H386 PolarHBondContact CD2-NE2 3.12Å; H382-H386 VanDerWaalsContact CD2-NE2 3.32Å; H382-H386 AromaticContact CE1-NE2 3.9Å; H382-H386 AromaticContact NE2-CD2 3.69Å; H382-H386 AromaticContact NE2-CE1 3.97Å; H382-H386 AromaticContact NE2-NE2 2.94Å; H382-H386 PolarHBondContact NE2-NE2 3.03Å; H382-H386 PolarHBondContact O-CD2 3.17Å; H382-H386 PolarHBondContact O-N 3.27Å; L384-H386 PolarHBondContact O-N 3.41Å; H386-W388 CarbonylContact O-C 3.57Å; H386-W388 PolarHBondContact O-N 3.38Å; H386-F389 VanDerWaalsContact CA-O 3.25Å; H386-F389 WeakPolarHBondContact CA-O 3.47Å; H386-F389 PolarHBondContact ND1-O 3.41Å; H386-F389 CarbonylContact O-C 3.28Å; H386-F389 PolarHBondContact O-N 3.25Å; H386-N391 VanDerWaalsContact O-CB 3.22Å; H386-N391 WeakPolarHBondContact O-CB 2.91Å; H386-N391 VanDerWaalsContact O-CG 3.23Å; H386-N391 PolarHBondContact O-N 3.44Å; H386-E405 IonicContact CE1-OE1 2.96Å; H386-E405 IonicContact CE1-OE2 2.89Å; H386-E405 PolarHBondContact CE1-OE2 2.76Å; H386-E405 VanDerWaalsContact CE1-OE2 3.29Å; H386-E405 IonicContact NE2-OE1 3.32Å; H386-E405 IonicContact NE2-OE2 3.15Å; H386-E405 PolarHBondContact NE2-OE2 3.06Å; H386-E405 VanDerWaalsContact NE2-OE2 3.12Å; H386-A408 WeakPolarHBondContact CE1-CB 3.33Å; H386-A408 VanDerWaalsContact NE2-CB 3.28Å; H386-A408 WeakPolarHBondContact NE2-CB 3.28Å
387	Q	98.1	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.1	173.7	-51.1	-52.3	-59	0	0	112.7	Y330 E349 E383 L384 A385 N391 Q392	Y330-Q387 HydrophobicContact CD2-CB 4.02Å; Y330-Q387 HydrophobicContact CE2-CB 3.86Å; Y330-Q387 HydrophobicContact CE2-CG 4.04Å; E349-Q387 PolarHBondContact O-NE2 3.21Å; E383-Q387 PolarHBondContact O-NE2 2.91Å; L384-Q387 HydrophobicContact CD2-CG 4.47Å; L384-Q387 VanDerWaalsContact O-CB 3.29Å; L384-Q387 WeakPolarHBondContact O-CB 3.46Å; L384-Q387 VanDerWaalsContact O-CG 3.31Å; L384-Q387 WeakPolarHBondContact O-CG 3.16Å; L384-Q387 PolarHBondContact O-N 3.18Å; A385-Q387 PolarHBondContact O-N 3.23Å; A385-Q387 VanDerWaalsContact O-N 3.15Å; Q387-N391 PolarHBondContact NE2-ND2 3.11Å; Q387-N391 PolarHBondContact OE1-ND2 2.84Å; Q387-Q392 WeakPolarHBondContact O-CG 3.49Å; Q387-Q392 PolarHBondContact O-NE2 3.42Å
388	W	98.4	Very high	98.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-53	166.9	-70.2	-102.6	0	0	0	112	L319 Y322 E323 F326 L328 Y330 L384 A385 H386 Q392 V393 L498	L319-W388 HydrophobicContact CD1-CH2 3.66Å; L319-W388 HydrophobicContact CD1-CZ3 3.97Å; Y322-W388 HydrophobicContact CD2-CZ3 4.31Å; Y322-W388 HydrophobicContact CG-CZ3 4.32Å; E323-W388 HydrophobicContact CG-CH2 4.08Å; E323-W388 HydrophobicContact CG-CZ2 3.91Å; F326-W388 HydrophobicContact CD2-CB 4.25Å; F326-W388 AromaticContact CD2-CD1 3.85Å; F326-W388 AromaticContact CD2-CD2 3.7Å; F326-W388 HydrophobicContact CD2-CD2 3.7Å; F326-W388 AromaticContact CD2-CE2 3.91Å; F326-W388 HydrophobicContact CD2-CE3 4.2Å; F326-W388 AromaticContact CD2-CG 3.7Å; F326-W388 HydrophobicContact CD2-CG 3.7Å; F326-W388 AromaticContact CD2-NE1 3.96Å; F326-W388 HydrophobicContact CE2-CB 4.25Å; F326-W388 HydrophobicContact CE2-CD2 4.01Å; F326-W388 HydrophobicContact CE2-CE3 4.12Å; F326-W388 HydrophobicContact CE2-CG 4.07Å; L328-W388 WeakPolarHBondContact O-CZ2 3.38Å; L328-W388 PolarHBondContact O-NE1 3.36Å; Y330-W388 HydrophobicContact CD2-CH2 4.49Å; L384-W388 WeakPolarHBondContact O-CZ3 3.42Å; A385-W388 PolarHBondContact O-N 2.83Å; H386-W388 CarbonylContact O-C 3.57Å; H386-W388 PolarHBondContact O-N 3.38Å; W388-Q392 PolarHBondContact O-N 2.76Å; W388-V393 PolarHBondContact O-N 3.24Å; W388-L498 HydrophobicContact CB-CD1 4.1Å; W388-L498 HydrophobicContact CB-CD2 4.11Å; W388-L498 HydrophobicContact CG-CD1 4.41Å
389	F	98	Very high	98	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.009	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-94	93.5	-177.6	-60.9	-79.9	0	0	0	112.3	F326 A385 H386 F407 M411 I494 Y497 L498	F326-F389 AromaticContact CE1-CE2 3.64Å; F326-F389 HydrophobicContact CE1-CE2 3.64Å; F326-F389 HydrophobicContact CE1-CZ 4.11Å; F326-F389 HydrophobicContact CE2-CE2 4.23Å; F326-F389 HydrophobicContact CZ-CD2 4.29Å; F326-F389 AromaticContact CZ-CE2 3.51Å; F326-F389 HydrophobicContact CZ-CE2 3.51Å; F326-F389 HydrophobicContact CZ-CZ 4.41Å; A385-F389 PolarHBondContact O-N 2.92Å; H386-F389 VanDerWaalsContact CA-O 3.25Å; H386-F389 WeakPolarHBondContact CA-O 3.47Å; H386-F389 PolarHBondContact ND1-O 3.41Å; H386-F389 CarbonylContact O-C 3.28Å; H386-F389 PolarHBondContact O-N 3.25Å; F389-F407 HydrophobicContact CB-CB 3.96Å; F389-F407 HydrophobicContact CD1-CB 3.8Å; F389-F407 AromaticContact CD1-CD1 3.81Å; F389-F407 HydrophobicContact CD1-CD1 3.81Å; F389-F407 HydrophobicContact CD1-CD2 4.21Å; F389-F407 HydrophobicContact CD1-CE1 4.44Å; F389-F407 AromaticContact CD1-CG 3.66Å; F389-F407 HydrophobicContact CD1-CG 3.66Å; F389-F407 HydrophobicContact CD2-CB 4.08Å; F389-F407 HydrophobicContact CD2-CD1 4.4Å; F389-F407 HydrophobicContact CE1-CB 4.25Å; F389-F407 AromaticContact CE1-CD1 3.35Å; F389-F407 HydrophobicContact CE1-CD1 3.35Å; F389-F407 HydrophobicContact CE1-CD2 4.33Å; F389-F407 AromaticContact CE1-CE1 3.67Å; F389-F407 HydrophobicContact CE1-CE1 3.67Å; F389-F407 AromaticContact CE1-CG 3.72Å; F389-F407 HydrophobicContact CE1-CG 3.72Å; F389-F407 HydrophobicContact CE1-CZ 4.27Å; F389-F407 HydrophobicContact CE2-CB 4.48Å; F389-F407 AromaticContact CE2-CD1 4Å; F389-F407 HydrophobicContact CE2-CD1 4Å; F389-F407 HydrophobicContact CG-CB 3.7Å; F389-F407 HydrophobicContact CG-CD1 4.3Å; F389-F407 HydrophobicContact CG-CG 4.08Å; F389-F407 AromaticContact CZ-CD1 3.44Å; F389-F407 HydrophobicContact CZ-CD1 3.44Å; F389-F407 VanDerWaalsContact CZ-CD1 3.44Å; F389-F407 AromaticContact CZ-CE1 3.86Å; F389-F407 HydrophobicContact CZ-CE1 3.86Å; F389-F407 HydrophobicContact CZ-CG 4.16Å; F389-M411 HydrophobicContact CE2-CE 4.36Å; F389-M411 HydrophobicContact CE2-CG 3.99Å; F389-M411 HydrophobicContact CZ-CE 4.34Å; F389-I494 HydrophobicContact CE1-CG2 4.18Å; F389-I494 HydrophobicContact CZ-CG2 3.53Å; F389-Y497 HydrophobicContact CE1-CE1 4.4Å; F389-L498 HydrophobicContact CD1-CD2 4.05Å; F389-L498 HydrophobicContact CE1-CD1 4.34Å; F389-L498 HydrophobicContact CE1-CD2 3.88Å; F389-L498 HydrophobicContact CE1-CG 4.27Å; F389-L498 HydrophobicContact CE2-CD1 4.28Å; F389-L498 HydrophobicContact CZ-CD1 3.94Å; F389-L498 HydrophobicContact CZ-CD2 4.29Å; F389-L498 HydrophobicContact CZ-CG 4.35Å
390	G	96	Very high	98	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.5	-42.2	-176.2	0	0	0	0	0	111.4	Y273 V393 T394 N404	Y273-G390 PolarHBondContact OH-O 3.18Å; G390-V393 WeakPolarHBondContact CA-O 3.3Å; G390-V393 PolarHBondContact N-O 3.03Å; G390-T394 VanDerWaalsContact O-CB 3.3Å; G390-T394 WeakPolarHBondContact O-CB 2.93Å; G390-T394 WeakPolarHBondContact O-CG2 3.43Å; G390-T394 PolarHBondContact O-OG1 3.37Å; G390-N404 WeakPolarHBondContact CA-ND2 3.47Å
391	N	97.6	Very high	98	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-65.9	179.5	-65.5	-1.1	0	0	0	112.1	K228 L274 E349 W351 H386 Q387	K228-N391 PolarHBondContact NZ-O 2.8Å; L274-N391 HydrophobicContact CD1-CB 4.17Å; L274-N391 VanDerWaalsContact CD1-OD1 3.22Å; L274-N391 WeakPolarHBondContact CD1-OD1 3.39Å; L274-N391 WeakPolarHBondContact CD2-OD1 3.1Å; E349-N391 WeakPolarHBondContact CG-OD1 3.44Å; E349-N391 PolarHBondContact O-ND2 3.06Å; W351-N391 WeakPolarHBondContact CA-ND2 3.44Å; W351-N391 HydrophobicContact CB-CB 4.16Å; W351-N391 WeakPolarHBondContact CB-ND2 3.5Å; W351-N391 HydrophobicContact CD2-CB 3.62Å; W351-N391 HydrophobicContact CE3-CB 3.81Å; W351-N391 HydrophobicContact CG-CB 3.77Å; W351-N391 HydrophobicContact CZ3-CB 4.43Å; W351-N391 VanDerWaalsContact CZ3-O 3.28Å; W351-N391 WeakPolarHBondContact CZ3-O 3.18Å; H386-N391 VanDerWaalsContact O-CB 3.22Å; H386-N391 WeakPolarHBondContact O-CB 2.91Å; H386-N391 VanDerWaalsContact O-CG 3.23Å; H386-N391 PolarHBondContact O-N 3.44Å; Q387-N391 PolarHBondContact NE2-ND2 3.11Å; Q387-N391 PolarHBondContact OE1-ND2 2.84Å
392	Q	96	Very high	97.9	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-46.6	-179.9	-79	-176.4	82.6	0	0	111.7	K228 W351 Q387 W388 G503	K228-Q392 PolarHBondContact NZ-O 2.73Å; W351-Q392 HydrophobicContact CH2-CB 4.24Å; W351-Q392 HydrophobicContact CH2-CG 3.5Å; W351-Q392 VanDerWaalsContact CH2-CG 3.5Å; W351-Q392 HydrophobicContact CZ2-CB 4.36Å; W351-Q392 HydrophobicContact CZ2-CG 3.23Å; Q387-Q392 WeakPolarHBondContact O-CG 3.49Å; Q387-Q392 PolarHBondContact O-NE2 3.42Å; W388-Q392 PolarHBondContact O-N 2.76Å; Q392-G503 WeakPolarHBondContact O-CA 3.48Å; Q392-G503 PolarHBondContact O-N 3.02Å
393	V	98.2	Very high	97.9	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.012	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.2	173.6	-174.4	0	0	0	0	107.6	W388 G390 Y497 L498 H501 A506	W388-V393 PolarHBondContact O-N 3.24Å; G390-V393 WeakPolarHBondContact CA-O 3.3Å; G390-V393 PolarHBondContact N-O 3.03Å; V393-Y497 HydrophobicContact CB-CE1 4.39Å; V393-Y497 HydrophobicContact CG1-CE1 3.87Å; V393-Y497 HydrophobicContact CG1-CE2 4.48Å; V393-Y497 WeakPolarHBondContact CG1-OH 3.46Å; V393-L498 HydrophobicContact CB-CD2 4.29Å; V393-L498 HydrophobicContact CG2-CD2 3.84Å; V393-H501 HydrophobicContact CB-CB 4.45Å; V393-H501 HydrophobicContact CG1-CB 3.71Å; V393-H501 HydrophobicContact CG2-CB 3.87Å; V393-A506 HydrophobicContact CG1-CB 3.82Å
394	T	98.4	Very high	97.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.2	-177.3	-47.8	0	0	0	0	109.1	P225 K228 Y273 G390 G504 N505 A506	P225-T394 HydrophobicContact CB-CG2 3.95Å; K228-T394 WeakPolarHBondContact CE-OG1 3.47Å; K228-T394 PolarHBondContact NZ-OG1 3.18Å; Y273-T394 HydrophobicContact CE1-CG2 4Å; G390-T394 VanDerWaalsContact O-CB 3.3Å; G390-T394 WeakPolarHBondContact O-CB 2.93Å; G390-T394 WeakPolarHBondContact O-CG2 3.43Å; G390-T394 PolarHBondContact O-OG1 3.37Å; T394-G504 PolarHBondContact N-O 3.34Å; T394-N505 WeakPolarHBondContact CB-ND2 2.89Å; T394-N505 CarbonylContact O-C 3.58Å; T394-N505 WeakPolarHBondContact O-CA 3.37Å; T394-N505 WeakPolarHBondContact O-CB 3.3Å; T394-N505 PolarHBondContact O-ND2 2.89Å; T394-A506 PolarHBondContact O-N 3.41Å
395	M	98.3	Very high	97.9	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	153.9	170	81.1	-61.2	-100.8	0	0	111.6	P225 W397 W398 E400 I401 L403 N404 N505 A506	P225-M395 HydrophobicContact CB-SD 4.07Å; P225-M395 HydrophobicContact CG-SD 4.37Å; M395-W397 WeakPolarHBondContact CG-O 3.49Å; M395-W398 HydrophobicContact CE-CE3 3.83Å; M395-W398 HydrophobicContact CE-CZ3 3.81Å; M395-E400 HydrophobicContact CB-CB 4.38Å; M395-I401 HydrophobicContact CE-CB 4.05Å; M395-I401 HydrophobicContact CE-CD1 3.12Å; M395-I401 HydrophobicContact CE-CG1 4.13Å; M395-L403 HydrophobicContact CB-CD1 4.47Å; M395-N404 HydrophobicContact CE-CB 4.37Å; M395-N404 WeakPolarHBondContact CE-ND2 3.43Å; M395-N404 PolarHBondContact N-OD1 3.31Å; M395-N505 PolarHBondContact O-ND2 3.42Å; M395-A506 CarbonylContact C-O 3.48Å; M395-A506 WeakPolarHBondContact CA-O 3.41Å
396	K	97.6	Very high	97.9	Very high	76 Å²	76	6.5 Å²	6.5	33%	0.33	3%	0.029	S	C	.	.	S	Bend	trans	-70	-34.2	175.3	-73	173.7	-171.9	158.2	0	112.2	D226 N505 A506 D507 D510	D226-K396 WeakPolarHBondContact CB-O 3.28Å; K396-N505 HydrophobicContact CG-CB 3.9Å; K396-A506 PolarHBondContact N-O 2.84Å; K396-A506 VanDerWaalsContact N-O 3.12Å; K396-D507 HydrophobicContact CD-CB 4.15Å; K396-D507 VanDerWaalsContact NZ-CG 3.27Å; K396-D507 IonicContact NZ-OD1 2.64Å; K396-D507 IonicContact NZ-OD2 2.89Å; K396-D507 PolarHBondContact NZ-OD2 3.41Å; K396-D510 IonicContact NZ-OD2 3.46Å; K396-D510 PolarHBondContact NZ-OD2 3.29Å
397	W	98.1	Very high	97.8	Very high	15 Å²	15	6.5 Å²	6.5	6%	0.057	3%	0.029	C	C	.	.	S	Bend	trans	-156.1	158.2	177.6	-175.6	-118.6	0	0	0	111	R60 E224 P225 M395 N399 E400 V456 I462	R60-W397 VanDerWaalsContact NH1-CE2 3.32Å; E224-W397 HydrophobicContact CB-CZ3 4.03Å; E224-W397 HydrophobicContact CG-CH2 4.47Å; E224-W397 HydrophobicContact CG-CZ3 3.81Å; P225-W397 HydrophobicContact CG-CE3 4.08Å; M395-W397 WeakPolarHBondContact CG-O 3.49Å; W397-N399 WeakPolarHBondContact CB-OD1 3.48Å; W397-N399 VanDerWaalsContact CD1-OD1 3.27Å; W397-N399 PolarHBondContact O-N 2.98Å; W397-N399 PolarHBondContact O-OD1 2.54Å; W397-E400 PolarHBondContact O-N 2.74Å; W397-V456 PolarHBondContact NE1-O 3.02Å; W397-I462 HydrophobicContact CH2-CD1 4.13Å; W397-I462 HydrophobicContact CZ2-CD1 3.99Å
398	W	97.9	Very high	97.9	Very high	3 Å²	3	6.5 Å²	6.5	1%	0.011	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-58.8	-19.3	-174.3	-60.2	112.2	0	0	0	115.3	E211 P212 P225 Y273 M395 E400 I401 V456 I462 F466	E211-W398 HydrophobicContact CG-CH2 3.95Å; E211-W398 HydrophobicContact CG-CZ3 4.17Å; E211-W398 WeakPolarHBondContact OE1-CZ3 2.92Å; P212-W398 HydrophobicContact CB-CD2 4.23Å; P212-W398 HydrophobicContact CB-CE3 4.26Å; P212-W398 HydrophobicContact CB-CH2 3.84Å; P212-W398 HydrophobicContact CB-CZ2 3.78Å; P212-W398 HydrophobicContact CB-CZ3 4.08Å; P212-W398 WeakPolarHBondContact O-CZ2 3.38Å; P225-W398 HydrophobicContact CB-CZ2 4.49Å; P225-W398 HydrophobicContact CG-CD2 4.47Å; P225-W398 HydrophobicContact CG-CZ2 4.31Å; Y273-W398 AromaticContact CD1-CH2 3.92Å; Y273-W398 HydrophobicContact CD1-CH2 3.92Å; Y273-W398 HydrophobicContact CD1-CZ2 4.36Å; Y273-W398 HydrophobicContact CD2-CH2 4.19Å; Y273-W398 HydrophobicContact CE1-CH2 4.27Å; Y273-W398 HydrophobicContact CE2-CH2 4.49Å; Y273-W398 AromaticContact CG-CH2 3.89Å; Y273-W398 HydrophobicContact CG-CH2 3.89Å; Y273-W398 HydrophobicContact CG-CZ2 4.44Å; M395-W398 HydrophobicContact CE-CE3 3.83Å; M395-W398 HydrophobicContact CE-CZ3 3.81Å; W398-E400 PolarHBondContact O-N 2.78Å; W398-E400 VanDerWaalsContact O-N 3.09Å; W398-I401 HydrophobicContact CE3-CD1 4.1Å; W398-I401 HydrophobicContact CZ3-CD1 4Å; W398-I401 WeakPolarHBondContact O-CB 3.25Å; W398-I401 WeakPolarHBondContact O-CG2 3.44Å; W398-I401 PolarHBondContact O-N 3.2Å; W398-I401 VanDerWaalsContact O-N 3.1Å; W398-V456 HydrophobicContact CB-CG1 4.36Å; W398-I462 HydrophobicContact CB-CB 4.39Å; W398-I462 HydrophobicContact CB-CG1 3.99Å; W398-I462 HydrophobicContact CB-CG2 3.75Å; W398-I462 HydrophobicContact CD2-CG2 3.78Å; W398-I462 HydrophobicContact CE3-CG2 4.3Å; W398-I462 HydrophobicContact CG-CB 4.41Å; W398-I462 HydrophobicContact CG-CD1 4.25Å; W398-I462 HydrophobicContact CG-CG1 4.04Å; W398-I462 HydrophobicContact CG-CG2 3.5Å; W398-F466 HydrophobicContact CE3-CE2 4.29Å; W398-F466 AromaticContact CE3-CZ 3.93Å; W398-F466 HydrophobicContact CE3-CZ 3.93Å; W398-F466 AromaticContact CZ3-CZ 3.77Å; W398-F466 HydrophobicContact CZ3-CZ 3.77Å
399	N	96.9	Very high	97.9	Very high	12 Å²	12	6.9 Å²	6.9	6%	0.064	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-62.9	-13.6	173.3	76	-70.2	0	0	0	113.2	W397 S450 A451 V456	W397-N399 WeakPolarHBondContact CB-OD1 3.48Å; W397-N399 VanDerWaalsContact CD1-OD1 3.27Å; W397-N399 PolarHBondContact O-N 2.98Å; W397-N399 PolarHBondContact O-OD1 2.54Å; N399-S450 WeakPolarHBondContact O-CA 3.5Å; N399-A451 WeakPolarHBondContact CB-O 3.44Å; N399-A451 PolarHBondContact ND2-O 3.46Å; N399-A451 PolarHBondContact O-N 3.31Å; N399-V456 HydrophobicContact CB-CB 4.17Å; N399-V456 HydrophobicContact CB-CG2 4.05Å
400	E	97.3	Very high	97.9	Very high	15 Å²	15	7.7 Å²	7.7	7%	0.07	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-120.1	30.9	173.8	-55.1	-152.1	137.5	0	0	112.8	M395 W397 W398 W402 L403 S450 D507 Q508	M395-E400 HydrophobicContact CB-CB 4.38Å; W397-E400 PolarHBondContact O-N 2.74Å; W398-E400 PolarHBondContact O-N 2.78Å; W398-E400 VanDerWaalsContact O-N 3.09Å; E400-W402 PolarHBondContact O-N 3.4Å; E400-L403 HydrophobicContact CB-CD1 4Å; E400-L403 HydrophobicContact CB-CG 4.32Å; E400-L403 WeakPolarHBondContact O-CB 3.29Å; E400-L403 PolarHBondContact O-N 3.18Å; E400-L403 WeakPolarHBondContact OE2-CD1 3.4Å; E400-S450 WeakPolarHBondContact OE1-CB 3.33Å; E400-S450 PolarHBondContact OE1-OG 3.49Å; E400-D507 WeakPolarHBondContact OE2-CA 3.47Å; E400-D507 WeakPolarHBondContact OE2-CB 3.42Å; E400-Q508 VanDerWaalsContact OE1-CG 3.3Å; E400-Q508 WeakPolarHBondContact OE1-CG 3.36Å; E400-Q508 PolarHBondContact OE1-NE2 3.13Å; E400-Q508 PolarHBondContact OE2-N 2.91Å
401	I	98	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-26.9	175.8	180	60	0	0	0	113.1	M395 W398 L403 N404 E405 M465 F466 S470	M395-I401 HydrophobicContact CE-CB 4.05Å; M395-I401 HydrophobicContact CE-CD1 3.12Å; M395-I401 HydrophobicContact CE-CG1 4.13Å; W398-I401 HydrophobicContact CE3-CD1 4.1Å; W398-I401 HydrophobicContact CZ3-CD1 4Å; W398-I401 WeakPolarHBondContact O-CB 3.25Å; W398-I401 WeakPolarHBondContact O-CG2 3.44Å; W398-I401 PolarHBondContact O-N 3.2Å; W398-I401 VanDerWaalsContact O-N 3.1Å; I401-L403 PolarHBondContact O-N 3.47Å; I401-L403 VanDerWaalsContact O-N 3.09Å; I401-N404 HydrophobicContact CD1-CB 4.21Å; I401-N404 WeakPolarHBondContact O-CA 3.15Å; I401-N404 WeakPolarHBondContact O-CB 3.4Å; I401-N404 PolarHBondContact O-N 3.48Å; I401-E405 HydrophobicContact CD1-CG 3.93Å; I401-E405 HydrophobicContact CG1-CG 3.84Å; I401-E405 PolarHBondContact O-N 3.42Å; I401-M465 HydrophobicContact CG2-CB 3.72Å; I401-M465 HydrophobicContact CG2-CE 4.46Å; I401-F466 HydrophobicContact CD1-CE1 3.76Å; I401-F466 HydrophobicContact CD1-CZ 3.88Å; I401-F466 HydrophobicContact CG1-CD1 4.26Å; I401-F466 HydrophobicContact CG1-CE1 3.8Å; I401-F466 HydrophobicContact CG1-CE2 4.47Å; I401-F466 HydrophobicContact CG1-CZ 3.93Å; I401-S470 WeakPolarHBondContact CG2-OG 3.39Å
402	W	98.4	Very high	98	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.1	-22.8	174.7	81.6	-88.1	0	0	0	114.1	E400 N404 G406 L449 S450 L478 Q508 L511 W512 T535	E400-W402 PolarHBondContact O-N 3.4Å; W402-N404 PolarHBondContact O-N 3.15Å; W402-G406 VanDerWaalsContact O-CA 3.3Å; W402-G406 WeakPolarHBondContact O-CA 3.27Å; W402-G406 PolarHBondContact O-N 2.83Å; W402-L449 HydrophobicContact CB-CD2 3.84Å; W402-L449 VanDerWaalsContact CD1-C 3.49Å; W402-L449 HydrophobicContact CD2-CB 4.2Å; W402-L449 HydrophobicContact CD2-CD1 4.49Å; W402-L449 HydrophobicContact CD2-CD2 4.43Å; W402-L449 HydrophobicContact CG-CB 3.93Å; W402-L449 HydrophobicContact CG-CD2 4.05Å; W402-L449 HydrophobicContact CG-CG 4.49Å; W402-S450 PolarHBondContact NE1-OG 3.37Å; W402-L478 HydrophobicContact CZ3-CD1 4.49Å; W402-L478 HydrophobicContact CZ3-CD2 4.15Å; W402-L478 HydrophobicContact CZ3-CG 4.23Å; W402-Q508 HydrophobicContact CZ2-CB 3.9Å; W402-L511 HydrophobicContact CH2-CD2 4.47Å; W402-W512 AromaticContact CH2-CH2 3.67Å; W402-W512 HydrophobicContact CH2-CH2 3.67Å; W402-W512 AromaticContact CH2-CZ2 3.91Å; W402-W512 HydrophobicContact CH2-CZ2 3.91Å; W402-W512 HydrophobicContact CZ2-CH2 4.38Å; W402-W512 HydrophobicContact CZ2-CZ2 4.17Å; W402-T535 HydrophobicContact CH2-CG2 4.23Å; W402-T535 HydrophobicContact CZ2-CG2 3.93Å
403	L	98.3	Very high	98	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.016	4%	0.038	C	C	.	.	H	α-helix	trans	-66.9	-25	173.1	-70	175.8	0	0	0	112.7	M395 E400 I401 F407 Q508 L511	M395-L403 HydrophobicContact CB-CD1 4.47Å; E400-L403 HydrophobicContact CB-CD1 4Å; E400-L403 HydrophobicContact CB-CG 4.32Å; E400-L403 WeakPolarHBondContact O-CB 3.29Å; E400-L403 PolarHBondContact O-N 3.18Å; E400-L403 WeakPolarHBondContact OE2-CD1 3.4Å; I401-L403 PolarHBondContact O-N 3.47Å; I401-L403 VanDerWaalsContact O-N 3.09Å; L403-F407 HydrophobicContact CD2-CE2 4.33Å; L403-F407 WeakPolarHBondContact O-CD2 3.35Å; L403-Q508 HydrophobicContact CD2-CB 4.39Å; L403-L511 HydrophobicContact CD2-CD2 3.98Å
404	N	98.2	Very high	97.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-87.2	-61.5	169.3	-62.2	15	0	0	0	108.5	Y273 G390 M395 I401 W402 F407 A408	Y273-N404 PolarHBondContact OH-ND2 2.98Å; G390-N404 WeakPolarHBondContact CA-ND2 3.47Å; M395-N404 HydrophobicContact CE-CB 4.37Å; M395-N404 WeakPolarHBondContact CE-ND2 3.43Å; M395-N404 PolarHBondContact N-OD1 3.31Å; I401-N404 HydrophobicContact CD1-CB 4.21Å; I401-N404 WeakPolarHBondContact O-CA 3.15Å; I401-N404 WeakPolarHBondContact O-CB 3.4Å; I401-N404 PolarHBondContact O-N 3.48Å; W402-N404 PolarHBondContact O-N 3.15Å; N404-F407 PolarHBondContact O-N 3.24Å; N404-A408 WeakPolarHBondContact O-CB 3.28Å; N404-A408 PolarHBondContact O-N 2.93Å
405	E	98.5	Very high	97.9	Very high	4 Å²	4	10 Å²	10	2%	0.019	5%	0.046	C	C	.	.	H	α-helix	trans	-74.6	-41.1	-164.5	-65.3	-64.4	-173.3	0	0	114.3	H382 H386 I401 F407 A408 T409 Y471	H382-E405 IonicContact CE1-OE2 3.59Å; H382-E405 PolarHBondContact CE1-OE2 3.47Å; H382-E405 IonicContact NE2-OE2 3.64Å; H382-E405 PolarHBondContact NE2-OE2 3.47Å; H386-E405 IonicContact CE1-OE1 2.96Å; H386-E405 IonicContact CE1-OE2 2.89Å; H386-E405 PolarHBondContact CE1-OE2 2.76Å; H386-E405 VanDerWaalsContact CE1-OE2 3.29Å; H386-E405 IonicContact NE2-OE1 3.32Å; H386-E405 IonicContact NE2-OE2 3.15Å; H386-E405 PolarHBondContact NE2-OE2 3.06Å; H386-E405 VanDerWaalsContact NE2-OE2 3.12Å; I401-E405 HydrophobicContact CD1-CG 3.93Å; I401-E405 HydrophobicContact CG1-CG 3.84Å; I401-E405 PolarHBondContact O-N 3.42Å; E405-F407 VanDerWaalsContact C-N 3.28Å; E405-F407 PolarHBondContact O-N 3.32Å; E405-A408 PolarHBondContact O-N 3.18Å; E405-T409 VanDerWaalsContact O-CB 3.23Å; E405-T409 WeakPolarHBondContact O-CB 3.28Å; E405-T409 PolarHBondContact O-N 3.07Å; E405-T409 PolarHBondContact O-OG1 2.81Å; E405-Y471 HydrophobicContact CB-CD1 3.87Å; E405-Y471 HydrophobicContact CB-CD2 4.09Å; E405-Y471 HydrophobicContact CB-CE1 3.85Å; E405-Y471 HydrophobicContact CB-CE2 4.09Å; E405-Y471 HydrophobicContact CB-CG 3.99Å; E405-Y471 HydrophobicContact CG-CD1 4.33Å; E405-Y471 HydrophobicContact CG-CD2 4.38Å; E405-Y471 HydrophobicContact CG-CE1 3.8Å; E405-Y471 HydrophobicContact CG-CE2 3.88Å; E405-Y471 PolarHBondContact OE1-OH 3.12Å; E405-Y471 WeakPolarHBondContact OE2-CE1 3.48Å
406	G	98.4	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.7	-35.8	174.8	0	0	0	0	0	111.8	W402 Y410 S470	W402-G406 VanDerWaalsContact O-CA 3.3Å; W402-G406 WeakPolarHBondContact O-CA 3.27Å; W402-G406 PolarHBondContact O-N 2.83Å; G406-Y410 WeakPolarHBondContact O-CB 3.39Å; G406-Y410 PolarHBondContact O-N 3.34Å; G406-S470 WeakPolarHBondContact CA-O 3.42Å; G406-S470 PolarHBondContact N-O 3.49Å
407	F	98.4	Very high	97.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.6	-47.7	175	-93.6	-81.1	0	0	0	112.5	F389 L403 N404 E405 T409 Y410 M411 L478 F490 I494 L511	F389-F407 HydrophobicContact CB-CB 3.96Å; F389-F407 HydrophobicContact CD1-CB 3.8Å; F389-F407 AromaticContact CD1-CD1 3.81Å; F389-F407 HydrophobicContact CD1-CD1 3.81Å; F389-F407 HydrophobicContact CD1-CD2 4.21Å; F389-F407 HydrophobicContact CD1-CE1 4.44Å; F389-F407 AromaticContact CD1-CG 3.66Å; F389-F407 HydrophobicContact CD1-CG 3.66Å; F389-F407 HydrophobicContact CD2-CB 4.08Å; F389-F407 HydrophobicContact CD2-CD1 4.4Å; F389-F407 HydrophobicContact CE1-CB 4.25Å; F389-F407 AromaticContact CE1-CD1 3.35Å; F389-F407 HydrophobicContact CE1-CD1 3.35Å; F389-F407 HydrophobicContact CE1-CD2 4.33Å; F389-F407 AromaticContact CE1-CE1 3.67Å; F389-F407 HydrophobicContact CE1-CE1 3.67Å; F389-F407 AromaticContact CE1-CG 3.72Å; F389-F407 HydrophobicContact CE1-CG 3.72Å; F389-F407 HydrophobicContact CE1-CZ 4.27Å; F389-F407 HydrophobicContact CE2-CB 4.48Å; F389-F407 AromaticContact CE2-CD1 4Å; F389-F407 HydrophobicContact CE2-CD1 4Å; F389-F407 HydrophobicContact CG-CB 3.7Å; F389-F407 HydrophobicContact CG-CD1 4.3Å; F389-F407 HydrophobicContact CG-CG 4.08Å; F389-F407 AromaticContact CZ-CD1 3.44Å; F389-F407 HydrophobicContact CZ-CD1 3.44Å; F389-F407 VanDerWaalsContact CZ-CD1 3.44Å; F389-F407 AromaticContact CZ-CE1 3.86Å; F389-F407 HydrophobicContact CZ-CE1 3.86Å; F389-F407 HydrophobicContact CZ-CG 4.16Å; L403-F407 HydrophobicContact CD2-CE2 4.33Å; L403-F407 WeakPolarHBondContact O-CD2 3.35Å; N404-F407 PolarHBondContact O-N 3.24Å; E405-F407 VanDerWaalsContact C-N 3.28Å; E405-F407 PolarHBondContact O-N 3.32Å; F407-T409 VanDerWaalsContact C-N 3.31Å; F407-T409 PolarHBondContact O-N 3.06Å; F407-Y410 PolarHBondContact O-N 2.69Å; F407-M411 HydrophobicContact CD1-CE 4.21Å; F407-M411 HydrophobicContact CE1-CE 4.44Å; F407-M411 WeakPolarHBondContact O-CB 3.25Å; F407-M411 WeakPolarHBondContact O-CG 3.48Å; F407-M411 PolarHBondContact O-N 3.27Å; F407-L478 HydrophobicContact CB-CD1 4.32Å; F407-L478 HydrophobicContact CD1-CD1 3.9Å; F407-L478 HydrophobicContact CD2-CD1 3.67Å; F407-L478 HydrophobicContact CD2-CD2 4.38Å; F407-L478 HydrophobicContact CE1-CD1 4.07Å; F407-L478 HydrophobicContact CE1-CD2 4.01Å; F407-L478 HydrophobicContact CE2-CD1 3.86Å; F407-L478 HydrophobicContact CE2-CD2 3.7Å; F407-L478 HydrophobicContact CE2-CG 4.43Å; F407-L478 HydrophobicContact CG-CD1 3.71Å; F407-L478 HydrophobicContact CZ-CD1 4.06Å; F407-L478 HydrophobicContact CZ-CD2 3.49Å; F407-L478 VanDerWaalsContact CZ-CD2 3.49Å; F407-L478 HydrophobicContact CZ-CG 4.45Å; F407-F490 HydrophobicContact CE1-CZ 4.07Å; F407-I494 HydrophobicContact CE1-CD1 3.45Å; F407-I494 VanDerWaalsContact CE1-CD1 3.45Å; F407-I494 HydrophobicContact CE1-CG1 4.23Å; F407-I494 HydrophobicContact CZ-CD1 3.62Å; F407-L511 HydrophobicContact CE2-CD2 3.59Å; F407-L511 HydrophobicContact CZ-CD1 3.99Å; F407-L511 HydrophobicContact CZ-CD2 3.67Å; F407-L511 HydrophobicContact CZ-CG 4.48Å
408	A	98.6	Very high	97.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-44.5	177.5	0	0	0	0	0	111.1	H382 A385 H386 N404 E405 Y410 M411 S412	H382-A408 VanDerWaalsContact CE1-CB 3.42Å; H382-A408 WeakPolarHBondContact CE1-CB 3.4Å; H382-A408 VanDerWaalsContact ND1-C 3.32Å; A385-A408 HydrophobicContact CB-CB 4.17Å; H386-A408 WeakPolarHBondContact CE1-CB 3.33Å; H386-A408 VanDerWaalsContact NE2-CB 3.28Å; H386-A408 WeakPolarHBondContact NE2-CB 3.28Å; N404-A408 WeakPolarHBondContact O-CB 3.28Å; N404-A408 PolarHBondContact O-N 2.93Å; E405-A408 PolarHBondContact O-N 3.18Å; A408-Y410 PolarHBondContact O-N 3.44Å; A408-M411 PolarHBondContact O-N 3.19Å; A408-S412 WeakPolarHBondContact O-CB 3.19Å; A408-S412 PolarHBondContact O-N 2.86Å
409	T	98.4	Very high	97.6	Very high	9 Å²	9	12.8 Å²	12.8	6%	0.055	6%	0.064	C	C	.	.	H	α-helix	trans	-57.6	-52.1	175.2	-56.8	0	0	0	0	110.6	H382 E405 F407 M411 S412 Y413 A475	H382-T409 PolarHBondContact CE1-N 3.1Å; H382-T409 PolarHBondContact CE1-OG1 2.99Å; H382-T409 PolarHBondContact ND1-N 2.93Å; E405-T409 VanDerWaalsContact O-CB 3.23Å; E405-T409 WeakPolarHBondContact O-CB 3.28Å; E405-T409 PolarHBondContact O-N 3.07Å; E405-T409 PolarHBondContact O-OG1 2.81Å; F407-T409 VanDerWaalsContact C-N 3.31Å; F407-T409 PolarHBondContact O-N 3.06Å; T409-M411 PolarHBondContact O-N 2.92Å; T409-S412 PolarHBondContact O-N 2.99Å; T409-S412 PolarHBondContact O-OG 3Å; T409-Y413 HydrophobicContact CG2-CE2 4.16Å; T409-Y413 WeakPolarHBondContact O-CD2 3.29Å; T409-A475 HydrophobicContact CG2-CB 3.64Å
410	Y	97.9	Very high	97.5	Very high	18 Å²	18	14 Å²	14	7%	0.071	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-43.5	179.8	178.4	-131.6	0	0	0	113.3	G406 F407 A408 S412 Y413 L414 M429 L478 R479 A482 F490	G406-Y410 WeakPolarHBondContact O-CB 3.39Å; G406-Y410 PolarHBondContact O-N 3.34Å; F407-Y410 PolarHBondContact O-N 2.69Å; A408-Y410 PolarHBondContact O-N 3.44Å; Y410-S412 VanDerWaalsContact C-N 3.3Å; Y410-S412 PolarHBondContact O-N 3.42Å; Y410-Y413 PolarHBondContact O-N 3.34Å; Y410-L414 HydrophobicContact CE1-CD1 4.23Å; Y410-M429 HydrophobicContact CD2-CE 3.76Å; Y410-M429 HydrophobicContact CE2-CE 4.17Å; Y410-L478 HydrophobicContact CD1-CB 3.93Å; Y410-L478 HydrophobicContact CE1-CB 4.47Å; Y410-L478 HydrophobicContact CG-CB 4.24Å; Y410-R479 HydrophobicContact CD2-CB 4.31Å; Y410-R479 HydrophobicContact CE2-CB 3.89Å; Y410-R479 HydrophobicContact CE2-CG 4.45Å; Y410-A482 WeakPolarHBondContact OH-CB 3.27Å; Y410-F490 HydrophobicContact CD1-CE1 4.43Å; Y410-F490 HydrophobicContact CD1-CZ 4.38Å; Y410-F490 AromaticContact CE1-CE1 3.78Å; Y410-F490 HydrophobicContact CE1-CE1 3.78Å; Y410-F490 AromaticContact CE1-CZ 3.97Å; Y410-F490 HydrophobicContact CE1-CZ 3.97Å
411	M	98	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-70.8	-26.4	-177.8	-70.8	-66.7	165.5	0	0	112.5	Y322 F326 A385 F389 F407 A408 T409 L414 A415 F490	Y322-M411 HydrophobicContact CE1-CB 3.96Å; Y322-M411 VanDerWaalsContact OH-C 3.24Å; Y322-M411 PolarHBondContact OH-O 2.9Å; F326-M411 HydrophobicContact CE1-CE 4.1Å; F326-M411 HydrophobicContact CE1-CG 4.49Å; F326-M411 HydrophobicContact CE1-SD 3.78Å; F326-M411 HydrophobicContact CZ-CG 4.15Å; F326-M411 HydrophobicContact CZ-SD 3.9Å; A385-M411 HydrophobicContact CB-CB 3.88Å; F389-M411 HydrophobicContact CE2-CE 4.36Å; F389-M411 HydrophobicContact CE2-CG 3.99Å; F389-M411 HydrophobicContact CZ-CE 4.34Å; F407-M411 HydrophobicContact CD1-CE 4.21Å; F407-M411 HydrophobicContact CE1-CE 4.44Å; F407-M411 WeakPolarHBondContact O-CB 3.25Å; F407-M411 WeakPolarHBondContact O-CG 3.48Å; F407-M411 PolarHBondContact O-N 3.27Å; A408-M411 PolarHBondContact O-N 3.19Å; T409-M411 PolarHBondContact O-N 2.92Å; M411-L414 PolarHBondContact O-N 2.9Å; M411-L414 HydrophobicContact SD-CD1 4.04Å; M411-A415 PolarHBondContact O-N 2.9Å; M411-A415 VanDerWaalsContact O-N 3.08Å; M411-F490 HydrophobicContact CE-CE1 3.94Å
412	S	98.1	Very high	97	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-48.2	176	76.7	0	0	0	0	110.6	A408 T409 Y410 L414 A415 V416	A408-S412 WeakPolarHBondContact O-CB 3.19Å; A408-S412 PolarHBondContact O-N 2.86Å; T409-S412 PolarHBondContact O-N 2.99Å; T409-S412 PolarHBondContact O-OG 3Å; Y410-S412 VanDerWaalsContact C-N 3.3Å; Y410-S412 PolarHBondContact O-N 3.42Å; S412-L414 VanDerWaalsContact C-N 3.31Å; S412-L414 PolarHBondContact O-N 3.2Å; S412-A415 PolarHBondContact O-N 3.33Å; S412-V416 WeakPolarHBondContact O-CB 3.38Å; S412-V416 WeakPolarHBondContact O-CG2 3.22Å; S412-V416 PolarHBondContact O-N 3.18Å
413	Y	96.8	Very high	96.6	Very high	13 Å²	13	24.4 Å²	24.4	5%	0.051	12%	0.122	C	C	.	.	H	α-helix	trans	-60.4	-38.1	178.4	-68.3	-72.8	0	0	0	113	T409 Y410 D417 I425 M429 D433	T409-Y413 HydrophobicContact CG2-CE2 4.16Å; T409-Y413 WeakPolarHBondContact O-CD2 3.29Å; Y410-Y413 PolarHBondContact O-N 3.34Å; Y413-D417 VanDerWaalsContact O-CB 3.23Å; Y413-D417 WeakPolarHBondContact O-CB 3.4Å; Y413-D417 PolarHBondContact O-N 3.24Å; Y413-I425 HydrophobicContact CD1-CB 4.24Å; Y413-I425 HydrophobicContact CD1-CG1 3.47Å; Y413-I425 VanDerWaalsContact CD1-CG1 3.47Å; Y413-I425 HydrophobicContact CD1-CG2 4.03Å; Y413-I425 HydrophobicContact CE1-CG1 3.73Å; Y413-I425 WeakPolarHBondContact O-CG2 3.09Å; Y413-M429 HydrophobicContact CD1-CB 3.78Å; Y413-M429 HydrophobicContact CD1-CG 4.34Å; Y413-M429 HydrophobicContact CD2-CB 4.16Å; Y413-M429 HydrophobicContact CD2-CG 3.8Å; Y413-M429 HydrophobicContact CD2-SD 3.93Å; Y413-M429 HydrophobicContact CE1-CB 3.63Å; Y413-M429 HydrophobicContact CE1-CG 4.26Å; Y413-M429 HydrophobicContact CE2-CB 4.01Å; Y413-M429 HydrophobicContact CE2-CG 3.7Å; Y413-M429 HydrophobicContact CE2-SD 4.42Å; Y413-M429 HydrophobicContact CG-CB 4.05Å; Y413-M429 HydrophobicContact CG-CG 4.13Å; Y413-M429 HydrophobicContact CG-SD 4.11Å; Y413-D433 WeakPolarHBondContact CE2-OD2 3.03Å; Y413-D433 PolarHBondContact OH-OD2 3.44Å
414	L	96.3	Very high	96.1	Very high	38 Å²	38	27.2 Å²	27.2	20%	0.199	14%	0.135	C	C	.	.	H	α-helix	trans	-68.2	-40.7	177.8	-60.6	-175.4	0	0	0	112	F321 Y410 M411 S412 H418	F321-L414 HydrophobicContact CZ-CB 4.24Å; Y410-L414 HydrophobicContact CE1-CD1 4.23Å; M411-L414 PolarHBondContact O-N 2.9Å; M411-L414 HydrophobicContact SD-CD1 4.04Å; S412-L414 VanDerWaalsContact C-N 3.31Å; S412-L414 PolarHBondContact O-N 3.2Å; L414-H418 PolarHBondContact O-N 3.48Å
415	A	97.9	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.4	-41.5	178.2	0	0	0	0	0	112.4	I318 F321 Y322 A381 M411 S412 H418 A419	I318-A415 HydrophobicContact CG2-CB 3.92Å; F321-A415 HydrophobicContact CD1-CB 3.57Å; F321-A415 VanDerWaalsContact CE1-CA 3.49Å; F321-A415 HydrophobicContact CE1-CB 3.67Å; Y322-A415 HydrophobicContact CE1-CB 3.87Å; Y322-A415 HydrophobicContact CE2-CB 4.15Å; Y322-A415 VanDerWaalsContact OH-CB 3.23Å; Y322-A415 WeakPolarHBondContact OH-CB 3.4Å; A381-A415 HydrophobicContact CB-CB 4.12Å; M411-A415 PolarHBondContact O-N 2.9Å; M411-A415 VanDerWaalsContact O-N 3.08Å; S412-A415 PolarHBondContact O-N 3.33Å; A415-H418 WeakPolarHBondContact O-CB 3.38Å; A415-H418 PolarHBondContact O-N 3.06Å; A415-A419 WeakPolarHBondContact O-CB 3.41Å; A415-A419 PolarHBondContact O-N 3.3Å
416	V	97.6	Very high	94.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-42.9	177.1	175.8	0	0	0	0	110.7	T377 A381 S412 H418 A419 E420 F423 I425	T377-V416 HydrophobicContact CG2-CG1 4.38Å; T377-V416 HydrophobicContact CG2-CG2 4.13Å; A381-V416 HydrophobicContact CB-CG2 3.84Å; S412-V416 WeakPolarHBondContact O-CB 3.38Å; S412-V416 WeakPolarHBondContact O-CG2 3.22Å; S412-V416 PolarHBondContact O-N 3.18Å; V416-H418 PolarHBondContact O-N 2.92Å; V416-A419 PolarHBondContact O-N 2.78Å; V416-E420 CarbonylContact O-C 3.03Å; V416-E420 WeakPolarHBondContact O-CA 3.31Å; V416-E420 PolarHBondContact O-N 2.99Å; V416-F423 HydrophobicContact CG1-CD2 3.74Å; V416-I425 HydrophobicContact CB-CG2 4.05Å; V416-I425 HydrophobicContact CG1-CB 3.98Å; V416-I425 HydrophobicContact CG1-CD1 4.33Å; V416-I425 HydrophobicContact CG1-CG1 4.08Å; V416-I425 HydrophobicContact CG1-CG2 3.93Å
417	D	95.8	Very high	94.2	Very high	45 Å²	45	34 Å²	34	24%	0.241	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-30.6	175.3	-172.7	78.1	0	0	0	112.3	Y413 P421 I425 K426	Y413-D417 VanDerWaalsContact O-CB 3.23Å; Y413-D417 WeakPolarHBondContact O-CB 3.4Å; Y413-D417 PolarHBondContact O-N 3.24Å; D417-P421 WeakPolarHBondContact O-CA 3.3Å; D417-P421 WeakPolarHBondContact O-CB 3.05Å; D417-I425 HydrophobicContact CB-CG2 4.1Å; D417-K426 IonicContact OD1-NZ 2.68Å; D417-K426 VanDerWaalsContact OD2-CE 3.22Å; D417-K426 WeakPolarHBondContact OD2-CE 3.34Å; D417-K426 IonicContact OD2-NZ 2.75Å; D417-K426 PolarHBondContact OD2-NZ 3.4Å
418	H	95.8	Very high	93.4	Very high	98 Å²	98	35.7 Å²	35.7	45%	0.454	17%	0.173	S	C	.	.	H	α-helix	trans	-74.9	-51	174.7	-178.5	86.3	0	0	0	112.7	F321 L414 A415 V416	F321-H418 HydrophobicContact CD2-CB 3.69Å; F321-H418 AromaticContact CD2-CD2 3.61Å; F321-H418 AromaticContact CD2-CG 3.4Å; F321-H418 AromaticContact CD2-ND1 3.76Å; F321-H418 HydrophobicContact CE2-CB 3.77Å; F321-H418 AromaticContact CE2-CG 3.84Å; F321-H418 HydrophobicContact CG-CB 4.35Å; F321-H418 HydrophobicContact CZ-CB 4.49Å; L414-H418 PolarHBondContact O-N 3.48Å; A415-H418 WeakPolarHBondContact O-CB 3.38Å; A415-H418 PolarHBondContact O-N 3.06Å; V416-H418 PolarHBondContact O-N 2.92Å
419	A	96.4	Very high	92.9	Very high	9 Å²	9	36 Å²	36	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-78.5	-36.6	-172.1	0	0	0	0	0	112.6	I314 E317 I318 A415 V416	I314-A419 HydrophobicContact CD1-CB 3.76Å; E317-A419 HydrophobicContact CG-CB 3.99Å; I318-A419 HydrophobicContact CG1-CB 4.08Å; A415-A419 WeakPolarHBondContact O-CB 3.41Å; A415-A419 PolarHBondContact O-N 3.3Å; V416-A419 PolarHBondContact O-N 2.78Å
420	E	95.2	Very high	92.3	Very high	39 Å²	39	35.8 Å²	35.8	18%	0.182	17%	0.173	C	C	.	.			trans	-133.2	65.5	-178.4	-69.9	-80	-157.7	0	0	110.8	Y310 I314 T377 V416 K422 F423	Y310-E420 PolarHBondContact OH-OE1 3.21Å; I314-E420 HydrophobicContact CD1-CG 4.06Å; T377-E420 HydrophobicContact CG2-CG 4.37Å; V416-E420 CarbonylContact O-C 3.03Å; V416-E420 WeakPolarHBondContact O-CA 3.31Å; V416-E420 PolarHBondContact O-N 2.99Å; E420-K422 PolarHBondContact O-N 3.44Å; E420-F423 HydrophobicContact CB-CD2 3.31Å; E420-F423 HydrophobicContact CB-CE2 3.36Å; E420-F423 HydrophobicContact CB-CG 4.01Å; E420-F423 HydrophobicContact CB-CZ 4.15Å; E420-F423 HydrophobicContact CG-CD2 4.12Å; E420-F423 HydrophobicContact CG-CE2 3.62Å; E420-F423 HydrophobicContact CG-CZ 4.19Å; E420-F423 WeakPolarHBondContact O-CB 3.21Å; E420-F423 PolarHBondContact O-N 3.19Å
421	P	92.8	Very high	91.7	Very high	80 Å²	80	35 Å²	35	52%	0.519	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-59.6	-16.9	-175.3	22.9	-34.6	0	0	0	114	D417 F423 Q424	D417-P421 WeakPolarHBondContact O-CA 3.3Å; D417-P421 WeakPolarHBondContact O-CB 3.05Å; P421-F423 PolarHBondContact O-N 3.07Å; P421-Q424 PolarHBondContact O-N 3.5Å
422	K	91.1	Very high	91.1	Very high	149 Å²	149	37.8 Å²	37.8	65%	0.648	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-68.6	-22.2	176.2	-67	-177.9	-179.6	176.5	0	113.2	W370 E420 Q424 H732	W370-K422 HydrophobicContact CH2-CB 4.19Å; W370-K422 HydrophobicContact CZ2-CB 3.92Å; E420-K422 PolarHBondContact O-N 3.44Å; K422-Q424 VanDerWaalsContact C-N 3.26Å; K422-Q424 PolarHBondContact O-N 2.97Å; K422-H732 VanDerWaalsContact O-CB 3.24Å; K422-H732 WeakPolarHBondContact O-CB 3.48Å
423	F	91.3	Very high	90.9	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-69.1	-21.9	177.8	-67.5	-28.5	0	0	0	113.2	W370 K373 E374 T377 V416 E420 P421 I425 H732	W370-F423 AromaticContact CD1-CE1 3.84Å; W370-F423 HydrophobicContact CD2-CE1 4.35Å; W370-F423 AromaticContact CE2-CE1 3.69Å; W370-F423 HydrophobicContact CG-CE1 4.47Å; W370-F423 HydrophobicContact CZ2-CD1 4.04Å; W370-F423 HydrophobicContact CZ2-CE1 4.14Å; W370-F423 AromaticContact NE1-CE1 3.3Å; W370-F423 VanDerWaalsContact NE1-CE1 3.3Å; K373-F423 HydrophobicContact CB-CZ 4.38Å; K373-F423 HydrophobicContact CG-CZ 4.29Å; E374-F423 HydrophobicContact CB-CD1 4.2Å; E374-F423 HydrophobicContact CB-CD2 4.33Å; E374-F423 HydrophobicContact CB-CE1 4.08Å; E374-F423 HydrophobicContact CB-CE2 4.28Å; E374-F423 HydrophobicContact CB-CG 4.31Å; E374-F423 HydrophobicContact CB-CZ 4.16Å; E374-F423 HydrophobicContact CG-CB 4.26Å; E374-F423 HydrophobicContact CG-CD1 4.32Å; E374-F423 HydrophobicContact CG-CD2 4.09Å; E374-F423 HydrophobicContact CG-CG 4.01Å; T377-F423 HydrophobicContact CG2-CE2 4.25Å; V416-F423 HydrophobicContact CG1-CD2 3.74Å; E420-F423 HydrophobicContact CB-CD2 3.31Å; E420-F423 HydrophobicContact CB-CE2 3.36Å; E420-F423 HydrophobicContact CB-CG 4.01Å; E420-F423 HydrophobicContact CB-CZ 4.15Å; E420-F423 HydrophobicContact CG-CD2 4.12Å; E420-F423 HydrophobicContact CG-CE2 3.62Å; E420-F423 HydrophobicContact CG-CZ 4.19Å; E420-F423 WeakPolarHBondContact O-CB 3.21Å; E420-F423 PolarHBondContact O-N 3.19Å; P421-F423 PolarHBondContact O-N 3.07Å; F423-I425 PolarHBondContact O-N 3.3Å; F423-H732 AromaticContact CD1-CD2 3.43Å; F423-H732 VanDerWaalsContact CD1-CD2 3.43Å; F423-H732 WeakPolarHBondContact CD1-CD2 3.47Å; F423-H732 AromaticContact CD1-NE2 3.57Å
424	Q	86.3	Confident	90.7	Very high	62 Å²	62	37.9 Å²	37.9	29%	0.29	19%	0.186	S	C	.	.			trans	53.1	36.1	-178	-60.7	178.3	67.4	0	0	112.7	P421 K422 K426 E427 D731	P421-Q424 PolarHBondContact O-N 3.5Å; K422-Q424 VanDerWaalsContact C-N 3.26Å; K422-Q424 PolarHBondContact O-N 2.97Å; Q424-K426 PolarHBondContact O-N 2.99Å; Q424-E427 PolarHBondContact O-N 3.23Å; Q424-D731 PolarHBondContact NE2-OD2 2.68Å
425	I	89.2	Confident	90.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-23.8	-166.6	-156.8	78.9	0	0	0	114.3	E374 Y413 V416 D417 F423 E427 K428 M429	E374-I425 HydrophobicContact CG-CD1 3.54Å; Y413-I425 HydrophobicContact CD1-CB 4.24Å; Y413-I425 HydrophobicContact CD1-CG1 3.47Å; Y413-I425 VanDerWaalsContact CD1-CG1 3.47Å; Y413-I425 HydrophobicContact CD1-CG2 4.03Å; Y413-I425 HydrophobicContact CE1-CG1 3.73Å; Y413-I425 WeakPolarHBondContact O-CG2 3.09Å; V416-I425 HydrophobicContact CB-CG2 4.05Å; V416-I425 HydrophobicContact CG1-CB 3.98Å; V416-I425 HydrophobicContact CG1-CD1 4.33Å; V416-I425 HydrophobicContact CG1-CG1 4.08Å; V416-I425 HydrophobicContact CG1-CG2 3.93Å; D417-I425 HydrophobicContact CB-CG2 4.1Å; F423-I425 PolarHBondContact O-N 3.3Å; I425-E427 PolarHBondContact O-N 3.42Å; I425-K428 HydrophobicContact CD1-CB 4.44Å; I425-K428 HydrophobicContact CD1-CD 4.01Å; I425-K428 WeakPolarHBondContact O-CB 3.3Å; I425-K428 PolarHBondContact O-N 3.46Å; I425-M429 PolarHBondContact O-N 3.5Å
426	K	82.9	Confident	90	Very high	98 Å²	98	37.5 Å²	37.5	43%	0.426	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-30.1	176.2	-73	173	171.4	160.3	0	113.2	D417 Q424	D417-K426 IonicContact OD1-NZ 2.68Å; D417-K426 VanDerWaalsContact OD2-CE 3.22Å; D417-K426 WeakPolarHBondContact OD2-CE 3.34Å; D417-K426 IonicContact OD2-NZ 2.75Å; D417-K426 PolarHBondContact OD2-NZ 3.4Å; Q424-K426 PolarHBondContact O-N 2.99Å
427	E	82.6	Confident	89.9	Confident	48 Å²	48	37.5 Å²	37.5	22%	0.224	19%	0.187	C	C	.	.	H	α-helix	trans	-71.5	-41.6	174.4	-65.5	-172.2	171.4	0	0	110.6	Q424 I425 M429 I430 L641 L679 S733	Q424-E427 PolarHBondContact O-N 3.23Å; I425-E427 PolarHBondContact O-N 3.42Å; E427-M429 PolarHBondContact O-N 3.41Å; E427-I430 PolarHBondContact O-N 2.96Å; E427-L641 WeakPolarHBondContact OE1-CD2 3.46Å; E427-L679 HydrophobicContact CB-CD1 3.87Å; E427-L679 HydrophobicContact CB-CD2 4.17Å; E427-L679 HydrophobicContact CB-CG 4.28Å; E427-L679 HydrophobicContact CG-CD1 4.16Å; E427-L679 WeakPolarHBondContact O-CD2 3.22Å; E427-S733 PolarHBondContact OE2-OG 3.38Å
428	K	82.5	Confident	89.8	Confident	36 Å²	36	35.4 Å²	35.4	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-37.1	179.8	-178.1	168.3	173.7	52.4	0	112.9	E374 I425 I430 M431 D432	E374-K428 WeakPolarHBondContact OE1-CD 3.47Å; E374-K428 WeakPolarHBondContact OE1-CE 3.46Å; I425-K428 HydrophobicContact CD1-CB 4.44Å; I425-K428 HydrophobicContact CD1-CD 4.01Å; I425-K428 WeakPolarHBondContact O-CB 3.3Å; I425-K428 PolarHBondContact O-N 3.46Å; K428-I430 PolarHBondContact O-N 3.33Å; K428-I430 VanDerWaalsContact O-N 3.08Å; K428-M431 WeakPolarHBondContact O-CA 3.41Å; K428-M431 PolarHBondContact O-N 2.99Å; K428-D432 WeakPolarHBondContact CE-OD2 3.22Å; K428-D432 VanDerWaalsContact CG-OD2 3.27Å; K428-D432 WeakPolarHBondContact CG-OD2 3.04Å; K428-D432 IonicContact NZ-OD1 3.64Å; K428-D432 PolarHBondContact NZ-OD1 2.86Å; K428-D432 IonicContact NZ-OD2 3.9Å; K428-D432 PolarHBondContact NZ-OD2 3.41Å; K428-D432 PolarHBondContact O-N 3.43Å
429	M	88.9	Confident	89.5	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.034	17%	0.17	C	C	.	.	H	α-helix	trans	-48.3	-37.9	174.6	-179.5	-177.3	175.7	0	0	113.4	Y410 Y413 I425 E427 D433 M476 R479	Y410-M429 HydrophobicContact CD2-CE 3.76Å; Y410-M429 HydrophobicContact CE2-CE 4.17Å; Y413-M429 HydrophobicContact CD1-CB 3.78Å; Y413-M429 HydrophobicContact CD1-CG 4.34Å; Y413-M429 HydrophobicContact CD2-CB 4.16Å; Y413-M429 HydrophobicContact CD2-CG 3.8Å; Y413-M429 HydrophobicContact CD2-SD 3.93Å; Y413-M429 HydrophobicContact CE1-CB 3.63Å; Y413-M429 HydrophobicContact CE1-CG 4.26Å; Y413-M429 HydrophobicContact CE2-CB 4.01Å; Y413-M429 HydrophobicContact CE2-CG 3.7Å; Y413-M429 HydrophobicContact CE2-SD 4.42Å; Y413-M429 HydrophobicContact CG-CB 4.05Å; Y413-M429 HydrophobicContact CG-CG 4.13Å; Y413-M429 HydrophobicContact CG-SD 4.11Å; I425-M429 PolarHBondContact O-N 3.5Å; E427-M429 PolarHBondContact O-N 3.41Å; M429-D433 WeakPolarHBondContact O-CB 3.41Å; M429-D433 PolarHBondContact O-N 3.14Å; M429-M476 HydrophobicContact CE-CE 3.13Å; M429-M476 HydrophobicContact CE-SD 4.14Å; M429-M476 HydrophobicContact CG-CE 3.69Å; M429-M476 HydrophobicContact SD-CE 4.25Å; M429-R479 HydrophobicContact CE-CB 3.82Å; M429-R479 VanDerWaalsContact CE-CD 3.47Å; M429-R479 HydrophobicContact CE-CG 4.21Å
430	I	86.1	Confident	89.1	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.175	C	C	.	.	I	π-helix	trans	-69.1	-40.8	177.6	-57.7	-55.9	0	0	0	111.2	E427 K428 L434 M642	E427-I430 PolarHBondContact O-N 2.96Å; K428-I430 PolarHBondContact O-N 3.33Å; K428-I430 VanDerWaalsContact O-N 3.08Å; I430-L434 HydrophobicContact CG2-CB 4.4Å; I430-L434 HydrophobicContact CG2-CD2 3.97Å; I430-L434 VanDerWaalsContact O-CB 3.25Å; I430-L434 WeakPolarHBondContact O-CB 3.32Å; I430-L434 PolarHBondContact O-N 2.97Å; I430-M642 HydrophobicContact CD1-CE 3.98Å; I430-M642 HydrophobicContact CG1-CE 3.38Å; I430-M642 HydrophobicContact CG1-SD 4.43Å
431	M	83.5	Confident	89.1	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.015	17%	0.166	C	C	.	.	I	π-helix	trans	-74.1	-39.2	-177.8	-61	-48.4	-64.4	0	0	112	K428 H435 L679 E682 S683 R686	K428-M431 WeakPolarHBondContact O-CA 3.41Å; K428-M431 PolarHBondContact O-N 2.99Å; M431-H435 VanDerWaalsContact CE-CE1 3.47Å; M431-H435 WeakPolarHBondContact CE-CE1 3.14Å; M431-L679 HydrophobicContact CG-CD2 3.36Å; M431-L679 HydrophobicContact SD-CD2 3.92Å; M431-E682 HydrophobicContact CE-CB 3.74Å; M431-E682 HydrophobicContact CE-CG 3.44Å; M431-E682 VanDerWaalsContact CE-CG 3.44Å; M431-E682 HydrophobicContact CG-CG 4.31Å; M431-S683 VanDerWaalsContact CE-N 3.28Å; M431-R686 PolarHBondContact O-NH1 3.21Å
432	D	86.4	Confident	89.1	Confident	58 Å²	58	29.8 Å²	29.8	31%	0.31	14%	0.142	S	C	.	.	I	π-helix	trans	-78.7	-51.8	-175.4	-70.2	6.1	0	0	0	110.8	K428 A436	K428-D432 WeakPolarHBondContact CE-OD2 3.22Å; K428-D432 VanDerWaalsContact CG-OD2 3.27Å; K428-D432 WeakPolarHBondContact CG-OD2 3.04Å; K428-D432 IonicContact NZ-OD1 3.64Å; K428-D432 PolarHBondContact NZ-OD1 2.86Å; K428-D432 IonicContact NZ-OD2 3.9Å; K428-D432 PolarHBondContact NZ-OD2 3.41Å; K428-D432 PolarHBondContact O-N 3.43Å; D432-A436 WeakPolarHBondContact O-CB 3.42Å
433	D	93.7	Very high	88.9	Confident	13 Å²	13	23.6 Å²	23.6	7%	0.07	12%	0.116	C	C	.	.	I	π-helix	trans	-95	-47.7	-169.9	-68	-62.4	0	0	0	114.1	Y413 M429 H435 A436 A437 S472 M476	Y413-D433 WeakPolarHBondContact CE2-OD2 3.03Å; Y413-D433 PolarHBondContact OH-OD2 3.44Å; M429-D433 WeakPolarHBondContact O-CB 3.41Å; M429-D433 PolarHBondContact O-N 3.14Å; D433-H435 VanDerWaalsContact C-N 3.33Å; D433-H435 PolarHBondContact O-N 3.23Å; D433-A436 PolarHBondContact O-N 3.01Å; D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.41Å; D433-A437 PolarHBondContact O-N 2.91Å; D433-S472 VanDerWaalsContact O-CB 3.31Å; D433-S472 WeakPolarHBondContact O-CB 3.27Å; D433-S472 VanDerWaalsContact OD1-CB 3.3Å; D433-S472 WeakPolarHBondContact OD1-CB 3.43Å; D433-S472 PolarHBondContact OD1-OG 3.01Å; D433-M476 HydrophobicContact CB-CE 3.42Å; D433-M476 VanDerWaalsContact CB-CE 3.42Å; D433-M476 HydrophobicContact CB-CG 4.45Å; D433-M476 HydrophobicContact CB-SD 4.25Å
434	L	93.3	Very high	88.6	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.137	C	C	.	.	I	π-helix	trans	-61.4	-45.6	-174.5	-176.6	68.6	0	0	0	111.2	I430 F438 M476 T612 Y615	I430-L434 HydrophobicContact CG2-CB 4.4Å; I430-L434 HydrophobicContact CG2-CD2 3.97Å; I430-L434 VanDerWaalsContact O-CB 3.25Å; I430-L434 WeakPolarHBondContact O-CB 3.32Å; I430-L434 PolarHBondContact O-N 2.97Å; L434-F438 HydrophobicContact CD1-CD1 4.38Å; L434-F438 HydrophobicContact CD1-CD2 4.23Å; L434-F438 HydrophobicContact CD1-CE1 3.9Å; L434-F438 HydrophobicContact CD1-CE2 3.74Å; L434-F438 HydrophobicContact CD1-CZ 3.56Å; L434-F438 HydrophobicContact CD2-CE2 3.9Å; L434-F438 HydrophobicContact CD2-CZ 4.39Å; L434-F438 HydrophobicContact CG-CD2 3.92Å; L434-F438 HydrophobicContact CG-CE2 3.65Å; L434-F438 HydrophobicContact CG-CZ 4.03Å; L434-F438 VanDerWaalsContact O-CB 3.29Å; L434-F438 WeakPolarHBondContact O-CB 3.22Å; L434-F438 VanDerWaalsContact O-CG 3.28Å; L434-F438 WeakPolarHBondContact O-CG 3.28Å; L434-F438 PolarHBondContact O-N 3.22Å; L434-M476 HydrophobicContact CB-CG 4.12Å; L434-M476 HydrophobicContact CB-SD 3.91Å; L434-M476 HydrophobicContact CD1-CB 4.39Å; L434-M476 HydrophobicContact CD1-CG 3.81Å; L434-M476 HydrophobicContact CD1-SD 4.26Å; L434-T612 HydrophobicContact CD2-CG2 3.37Å; L434-Y615 HydrophobicContact CD1-CD2 3.56Å; L434-Y615 HydrophobicContact CD1-CE2 3.91Å
435	H	89.1	Confident	88.5	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-70	-41	-179.5	-67.2	178.7	0	0	0	112.2	M431 D433 F438 E439 D649	M431-H435 VanDerWaalsContact CE-CE1 3.47Å; M431-H435 WeakPolarHBondContact CE-CE1 3.14Å; D433-H435 VanDerWaalsContact C-N 3.33Å; D433-H435 PolarHBondContact O-N 3.23Å; H435-F438 PolarHBondContact O-N 2.94Å; H435-E439 WeakPolarHBondContact O-CG 3.44Å; H435-E439 PolarHBondContact O-N 2.04Å; H435-D649 IonicContact CD2-OD2 3.86Å; H435-D649 IonicContact CE1-OD1 2.9Å; H435-D649 IonicContact NE2-OD1 3.5Å; H435-D649 IonicContact NE2-OD2 3.9Å
436	A	89.7	Confident	88.6	Confident	26 Å²	26	27.2 Å²	27.2	22%	0.215	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-48.6	176.6	0	0	0	0	0	111.2	D432 D433 F438 E439 E440 A468	D432-A436 WeakPolarHBondContact O-CB 3.42Å; D433-A436 PolarHBondContact O-N 3.01Å; A436-F438 PolarHBondContact O-N 3.31Å; A436-E439 PolarHBondContact O-N 3.32Å; A436-E440 PolarHBondContact O-N 3.12Å; A436-A468 HydrophobicContact CB-CB 4.31Å
437	A	94.9	Very high	89	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-44.1	175.8	0	0	0	0	0	112.1	D433 E439 E440 D441 K473 Y615	D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.41Å; D433-A437 PolarHBondContact O-N 2.91Å; A437-E439 VanDerWaalsContact C-N 3.34Å; A437-E439 PolarHBondContact O-N 2.89Å; A437-E440 PolarHBondContact O-N 2.88Å; A437-D441 WeakPolarHBondContact O-CB 3.39Å; A437-D441 PolarHBondContact O-N 3.26Å; A437-K473 HydrophobicContact CB-CB 3.94Å; A437-Y615 HydrophobicContact CB-CE2 3.89Å; A437-Y615 WeakPolarHBondContact CB-OH 3.42Å; A437-Y615 PolarHBondContact O-OH 2.95Å
438	F	95.1	Very high	89.7	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-33	-179.6	-84	-13	0	0	0	114.6	L434 H435 A436 A442 Y540 Y615 R617	L434-F438 HydrophobicContact CD1-CD1 4.38Å; L434-F438 HydrophobicContact CD1-CD2 4.23Å; L434-F438 HydrophobicContact CD1-CE1 3.9Å; L434-F438 HydrophobicContact CD1-CE2 3.74Å; L434-F438 HydrophobicContact CD1-CZ 3.56Å; L434-F438 HydrophobicContact CD2-CE2 3.9Å; L434-F438 HydrophobicContact CD2-CZ 4.39Å; L434-F438 HydrophobicContact CG-CD2 3.92Å; L434-F438 HydrophobicContact CG-CE2 3.65Å; L434-F438 HydrophobicContact CG-CZ 4.03Å; L434-F438 VanDerWaalsContact O-CB 3.29Å; L434-F438 WeakPolarHBondContact O-CB 3.22Å; L434-F438 VanDerWaalsContact O-CG 3.28Å; L434-F438 WeakPolarHBondContact O-CG 3.28Å; L434-F438 PolarHBondContact O-N 3.22Å; H435-F438 PolarHBondContact O-N 2.94Å; A436-F438 PolarHBondContact O-N 3.31Å; F438-A442 VanDerWaalsContact O-CB 3.28Å; F438-A442 WeakPolarHBondContact O-CB 3.49Å; F438-A442 PolarHBondContact O-N 2.69Å; F438-Y540 HydrophobicContact CB-CE1 4.13Å; F438-Y540 AromaticContact CD1-CD1 3.77Å; F438-Y540 HydrophobicContact CD1-CD1 3.77Å; F438-Y540 AromaticContact CD1-CD2 3.97Å; F438-Y540 HydrophobicContact CD1-CD2 3.97Å; F438-Y540 AromaticContact CD1-CE1 3.54Å; F438-Y540 HydrophobicContact CD1-CE1 3.54Å; F438-Y540 AromaticContact CD1-CE2 3.77Å; F438-Y540 HydrophobicContact CD1-CE2 3.77Å; F438-Y540 AromaticContact CD1-CG 3.96Å; F438-Y540 HydrophobicContact CD1-CG 3.96Å; F438-Y540 AromaticContact CD1-CZ 3.49Å; F438-Y540 VanDerWaalsContact CD1-CZ 3.49Å; F438-Y540 HydrophobicContact CE1-CD1 4.19Å; F438-Y540 AromaticContact CE1-CD2 3.78Å; F438-Y540 HydrophobicContact CE1-CD2 3.78Å; F438-Y540 HydrophobicContact CE1-CE1 4.3Å; F438-Y540 AromaticContact CE1-CE2 3.92Å; F438-Y540 HydrophobicContact CE1-CE2 3.92Å; F438-Y540 AromaticContact CE1-CG 3.91Å; F438-Y540 HydrophobicContact CE1-CG 3.91Å; F438-Y540 HydrophobicContact CG-CE1 4.13Å; F438-Y540 HydrophobicContact CG-CE2 4.25Å; F438-Y540 AromaticContact CG-CZ 3.81Å; F438-Y540 WeakPolarHBondContact O-CE1 3.43Å; F438-Y540 PolarHBondContact O-OH 2.89Å; F438-Y615 HydrophobicContact CD1-CD2 4.18Å; F438-Y615 HydrophobicContact CD1-CE1 4.41Å; F438-Y615 AromaticContact CD1-CE2 3.56Å; F438-Y615 HydrophobicContact CD1-CE2 3.56Å; F438-Y615 AromaticContact CD1-CZ 3.69Å; F438-Y615 HydrophobicContact CE1-CD1 4.33Å; F438-Y615 AromaticContact CE1-CD2 3.61Å; F438-Y615 HydrophobicContact CE1-CD2 3.61Å; F438-Y615 HydrophobicContact CE1-CE1 4.23Å; F438-Y615 AromaticContact CE1-CE2 3.49Å; F438-Y615 HydrophobicContact CE1-CE2 3.49Å; F438-Y615 VanDerWaalsContact CE1-CE2 3.49Å; F438-Y615 HydrophobicContact CE1-CG 4.03Å; F438-Y615 AromaticContact CE1-CZ 3.81Å; F438-Y615 HydrophobicContact CZ-CD2 4.33Å; F438-Y615 HydrophobicContact CZ-CE2 4.49Å; F438-R617 HydrophobicContact CD2-CG 4.48Å; F438-R617 HydrophobicContact CE2-CG 4.1Å; F438-R617 HydrophobicContact CZ-CG 4.31Å
439	E	88.8	Confident	90.4	Very high	70 Å²	70	20.1 Å²	20.1	33%	0.327	11%	0.11	S	C	.	.	H	α-helix	trans	-68.2	-47.9	178.4	-76.1	177.1	-137.6	0	0	111.1	H435 A436 A437 R686	H435-E439 WeakPolarHBondContact O-CG 3.44Å; H435-E439 PolarHBondContact O-N 2.04Å; A436-E439 PolarHBondContact O-N 3.32Å; A437-E439 VanDerWaalsContact C-N 3.34Å; A437-E439 PolarHBondContact O-N 2.89Å; E439-R686 IonicContact OE1-CZ 3.41Å; E439-R686 IonicContact OE1-NE 3.78Å; E439-R686 PolarHBondContact OE1-NE 2.79Å; E439-R686 IonicContact OE1-NH2 3.53Å; E439-R686 PolarHBondContact OE1-NH2 3.03Å
440	E	88.2	Confident	90.8	Very high	37 Å²	37	20.2 Å²	20.2	17%	0.173	11%	0.111	C	C	.	.	H	α-helix	trans	-71.5	-42.3	179.9	-177	158.2	-156.1	0	0	112	A436 A437 A442 L443 A468 I469	A436-E440 PolarHBondContact O-N 3.12Å; A437-E440 PolarHBondContact O-N 2.88Å; E440-A442 PolarHBondContact O-N 2.94Å; E440-L443 WeakPolarHBondContact O-CB 3.48Å; E440-L443 PolarHBondContact O-N 2.68Å; E440-L443 VanDerWaalsContact O-N 3.16Å; E440-A468 WeakPolarHBondContact OE2-CB 3.4Å; E440-I469 HydrophobicContact CB-CD1 4.22Å; E440-I469 HydrophobicContact CG-CD1 4.03Å; E440-I469 HydrophobicContact CG-CG1 4.14Å
441	D	94.4	Very high	91.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.3	-174.5	-154.2	31.1	0	0	0	113.3	A437 L443 S446 I469 K473 G539 Y540 Y615	A437-D441 WeakPolarHBondContact O-CB 3.39Å; A437-D441 PolarHBondContact O-N 3.26Å; D441-L443 VanDerWaalsContact C-N 3.34Å; D441-S446 PolarHBondContact OD1-OG 2.85Å; D441-I469 HydrophobicContact CB-CD1 3.69Å; D441-K473 IonicContact OD1-NZ 3.56Å; D441-K473 PolarHBondContact OD1-NZ 3.01Å; D441-K473 WeakPolarHBondContact OD2-CD 3.28Å; D441-K473 VanDerWaalsContact OD2-CE 3.3Å; D441-K473 WeakPolarHBondContact OD2-CE 3.38Å; D441-K473 IonicContact OD2-NZ 3.58Å; D441-K473 PolarHBondContact OD2-NZ 2.68Å; D441-G539 WeakPolarHBondContact O-CA 3.36Å; D441-G539 WeakPolarHBondContact OD1-CA 3.39Å; D441-G539 PolarHBondContact OD1-N 3.15Å; D441-G539 VanDerWaalsContact OD2-CA 3.31Å; D441-G539 WeakPolarHBondContact OD2-CA 3.16Å; D441-Y540 HydrophobicContact CB-CD1 3.83Å; D441-Y540 HydrophobicContact CB-CE1 3.95Å; D441-Y615 WeakPolarHBondContact OD2-CE1 3.45Å; D441-Y615 PolarHBondContact OD2-OH 3.37Å
442	A	92.7	Very high	91.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	3.9	171	0	0	0	0	0	113.8	F438 E440 Y540 F557 L558 Y559	F438-A442 VanDerWaalsContact O-CB 3.28Å; F438-A442 WeakPolarHBondContact O-CB 3.49Å; F438-A442 PolarHBondContact O-N 2.69Å; E440-A442 PolarHBondContact O-N 2.94Å; A442-Y540 HydrophobicContact CB-CE1 4.2Å; A442-F557 HydrophobicContact CB-CD1 3.76Å; A442-F557 HydrophobicContact CB-CE1 3.77Å; A442-L558 WeakPolarHBondContact O-CA 2.9Å; A442-L558 WeakPolarHBondContact O-CD2 3.29Å; A442-Y559 HydrophobicContact CB-CD2 3.67Å; A442-Y559 HydrophobicContact CB-CE2 3.46Å; A442-Y559 VanDerWaalsContact CB-CE2 3.46Å; A442-Y559 HydrophobicContact CB-CG 4.32Å; A442-Y559 PolarHBondContact O-N 2.84Å
443	L	87.1	Confident	92	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.099	14%	0.138	C	C	.	.	S	Bend	trans	-101.1	151.1	177.8	-58.2	176.1	0	0	0	111.7	E440 D441 T445 S446 Y559	E440-L443 WeakPolarHBondContact O-CB 3.48Å; E440-L443 PolarHBondContact O-N 2.68Å; E440-L443 VanDerWaalsContact O-N 3.16Å; D441-L443 VanDerWaalsContact C-N 3.34Å; L443-T445 PolarHBondContact O-N 2.85Å; L443-S446 WeakPolarHBondContact O-CB 3.46Å; L443-S446 PolarHBondContact O-N 3.01Å; L443-Y559 HydrophobicContact CD2-CD2 3.99Å
444	L	85.8	Confident	91.9	Very high	85 Å²	85	29.5 Å²	29.5	45%	0.445	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.8	174.6	-73.4	173.3	0	0	0	112.9	L558 A563	L444-L558 HydrophobicContact CD2-CD1 3.82Å; L444-L558 HydrophobicContact CD2-CD2 4.26Å; L444-L558 HydrophobicContact CG-CD1 4.48Å; L444-A563 HydrophobicContact CD1-CB 4.07Å; L444-A563 HydrophobicContact CD2-CB 4.37Å
445	T	84	Confident	91.7	Very high	46 Å²	46	34.2 Å²	34.2	28%	0.282	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.7	178.7	42.3	0	0	0	0	113.7	L443 R911 E918	L443-T445 PolarHBondContact O-N 2.85Å; T445-R911 PolarHBondContact O-NH2 2.74Å; T445-E918 WeakPolarHBondContact CG2-OE2 3.32Å; T445-E918 PolarHBondContact OG1-OE2 3.01Å
446	S	89.9	Confident	91.9	Very high	11 Å²	11	34.2 Å²	34.2	8%	0.077	20%	0.195	C	C	.	.			trans	-60.7	171.1	166.8	-177.2	0	0	0	0	111.3	D441 L443	D441-S446 PolarHBondContact OD1-OG 2.85Å; L443-S446 WeakPolarHBondContact O-CB 3.46Å; L443-S446 PolarHBondContact O-N 3.01Å
447	H	92.4	Very high	92	Very high	14 Å²	14	34.7 Å²	34.7	7%	0.065	19%	0.193	C	C	.	.			trans	-134.5	160	174.3	70.6	91	0	0	0	112.2	D467	H447-D467 IonicContact CD2-OD2 3.26Å; H447-D467 PolarHBondContact CD2-OD2 3.49Å; H447-D467 VanDerWaalsContact CD2-OD2 3.31Å; H447-D467 IonicContact CE1-OD1 2.8Å; H447-D467 VanDerWaalsContact NE2-CG 3.32Å; H447-D467 IonicContact NE2-OD1 2.83Å; H447-D467 PolarHBondContact NE2-OD1 3Å; H447-D467 VanDerWaalsContact NE2-OD1 3.13Å; H447-D467 IonicContact NE2-OD2 2.74Å; H447-D467 PolarHBondContact NE2-OD2 2.72Å
448	P	96.9	Very high	91.8	Very high	18 Å²	18	36 Å²	36	12%	0.117	20%	0.201	C	C	.	.			trans	-68.8	153.4	172.8	-16.4	31.7	0	0	0	111.3	S450 T535 I538	P448-S450 VanDerWaalsContact C-N 3.29Å; P448-S450 PolarHBondContact O-N 3.5Å; P448-T535 WeakPolarHBondContact CB-O 3.33Å; P448-I538 HydrophobicContact CG-CG2 3.98Å
449	L	97.8	Very high	91.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-56.4	-47.1	171.6	-74.9	169.5	0	0	0	110.9	W402 I469 K473 V477 T535	W402-L449 HydrophobicContact CB-CD2 3.84Å; W402-L449 VanDerWaalsContact CD1-C 3.49Å; W402-L449 HydrophobicContact CD2-CB 4.2Å; W402-L449 HydrophobicContact CD2-CD1 4.49Å; W402-L449 HydrophobicContact CD2-CD2 4.43Å; W402-L449 HydrophobicContact CG-CB 3.93Å; W402-L449 HydrophobicContact CG-CD2 4.05Å; W402-L449 HydrophobicContact CG-CG 4.49Å; L449-I469 HydrophobicContact CD2-CG2 4.01Å; L449-I469 WeakPolarHBondContact CD2-O 3.12Å; L449-I469 HydrophobicContact CG-CG2 4.43Å; L449-K473 HydrophobicContact CD1-CD 4.37Å; L449-K473 HydrophobicContact CD1-CG 4.17Å; L449-K473 HydrophobicContact CD2-CB 4.26Å; L449-K473 HydrophobicContact CD2-CD 4.35Å; L449-K473 HydrophobicContact CD2-CG 4.24Å; L449-K473 HydrophobicContact CG-CD 4.08Å; L449-K473 HydrophobicContact CG-CG 4.25Å; L449-V477 HydrophobicContact CD1-CB 4.34Å; L449-V477 HydrophobicContact CD1-CG1 4.36Å; L449-V477 HydrophobicContact CD1-CG2 4.29Å; L449-T535 HydrophobicContact CD1-CG2 4.05Å; L449-T535 PolarHBondContact N-O 3.09Å; L449-T535 VanDerWaalsContact N-O 3.11Å
450	S	96.9	Very high	91.2	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.063	22%	0.222	C	C	.	.	S	Bend	trans	-106.5	82.6	172.4	-72.1	0	0	0	0	109	N399 E400 W402 P448 Q508 T535	N399-S450 WeakPolarHBondContact O-CA 3.5Å; E400-S450 WeakPolarHBondContact OE1-CB 3.33Å; E400-S450 PolarHBondContact OE1-OG 3.49Å; W402-S450 PolarHBondContact NE1-OG 3.37Å; P448-S450 VanDerWaalsContact C-N 3.29Å; P448-S450 PolarHBondContact O-N 3.5Å; S450-Q508 VanDerWaalsContact CB-NE2 3.33Å; S450-Q508 PolarHBondContact OG-NE2 3.49Å; S450-T535 PolarHBondContact N-O 3.03Å
451	A	94.5	Very high	91.2	Very high	8 Å²	8	39.3 Å²	39.3	7%	0.066	23%	0.232	C	C	.	.			trans	-64.9	153.9	174.2	0	0	0	0	0	110.9	N399 V456 M465	N399-A451 WeakPolarHBondContact CB-O 3.44Å; N399-A451 PolarHBondContact ND2-O 3.46Å; N399-A451 PolarHBondContact O-N 3.31Å; A451-V456 HydrophobicContact CB-CG2 4.19Å; A451-M465 HydrophobicContact CB-CE 4.34Å; A451-M465 HydrophobicContact CB-SD 4.39Å
452	P	94.4	Very high	91.1	Very high	65 Å²	65	39.5 Å²	39.5	42%	0.422	23%	0.233	S	C	.	.			trans	-54.7	131.6	171.9	-24.6	34.8	0	0	0	110.6	N454 D455	P452-N454 PolarHBondContact O-N 2.87Å; P452-D455 WeakPolarHBondContact CD-OD2 3.43Å; P452-D455 WeakPolarHBondContact CG-OD2 3.45Å; P452-D455 WeakPolarHBondContact O-CB 2.92Å; P452-D455 PolarHBondContact O-N 3.14Å
453	P	92.1	Very high	90.8	Very high	64 Å²	64	43.9 Å²	43.9	42%	0.416	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55	-34.7	-175.1	-28.2	32.6	0	0	0	113.8	D455 V456 Q457	P453-D455 PolarHBondContact O-N 3.19Å; P453-V456 CarbonylContact O-C 3.41Å; P453-V456 PolarHBondContact O-N 3.02Å; P453-V456 VanDerWaalsContact O-N 3.15Å; P453-Q457 PolarHBondContact O-NE2 3.14Å
454	N	90.9	Very high	90.7	Very high	137 Å²	137	44 Å²	44	73%	0.733	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-67.6	-16.1	-179.6	-67.1	-18.5	0	0	0	114.2	P452 V456 Q457	P452-N454 PolarHBondContact O-N 2.87Å; N454-V456 VanDerWaalsContact C-N 3.32Å; N454-Q457 WeakPolarHBondContact O-CG 3.35Å
455	D	90.4	Very high	91	Very high	102 Å²	102	40.2 Å²	40.2	55%	0.545	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-88.6	-6.1	177.9	-59.1	-16.6	0	0	0	111.6	P452 P453	P452-D455 WeakPolarHBondContact CD-OD2 3.43Å; P452-D455 WeakPolarHBondContact CG-OD2 3.45Å; P452-D455 WeakPolarHBondContact O-CB 2.92Å; P452-D455 PolarHBondContact O-N 3.14Å; P453-D455 PolarHBondContact O-N 3.19Å
456	V	93.5	Very high	91.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.024	24%	0.239	C	C	.	.			trans	-128.2	91	-179.7	-174.2	0	0	0	0	108.8	W397 W398 N399 A451 P453 N454 I462 M465	W397-V456 PolarHBondContact NE1-O 3.02Å; W398-V456 HydrophobicContact CB-CG1 4.36Å; N399-V456 HydrophobicContact CB-CB 4.17Å; N399-V456 HydrophobicContact CB-CG2 4.05Å; A451-V456 HydrophobicContact CB-CG2 4.19Å; P453-V456 CarbonylContact O-C 3.41Å; P453-V456 PolarHBondContact O-N 3.02Å; P453-V456 VanDerWaalsContact O-N 3.15Å; N454-V456 VanDerWaalsContact C-N 3.32Å; V456-I462 HydrophobicContact CG1-CB 4.49Å; V456-I462 HydrophobicContact CG1-CG1 3.81Å; V456-M465 HydrophobicContact CG1-CG 4.07Å; V456-M465 HydrophobicContact CG2-CG 4.13Å; V456-M465 HydrophobicContact CG2-SD 3.92Å
457	Q	92.1	Very high	91.3	Very high	37 Å²	37	41.1 Å²	41.1	17%	0.173	24%	0.242	C	C	.	.			trans	-126.8	-47.6	-174.5	-62.2	-65.5	-63	0	0	112.8	M59 R60 P453 N454 E461	M59-Q457 HydrophobicContact CB-CB 4.08Å; M59-Q457 HydrophobicContact CG-CB 4.15Å; R60-Q457 VanDerWaalsContact CG-OE1 3.23Å; P453-Q457 PolarHBondContact O-NE2 3.14Å; N454-Q457 WeakPolarHBondContact O-CG 3.35Å; Q457-E461 PolarHBondContact N-OE2 2.67Å
458	T	90.5	Very high	91.2	Very high	28 Å²	28	41.6 Å²	41.6	17%	0.172	25%	0.249	C	C	.	.	S	Bend	trans	-79.8	158.3	-177.7	65.8	0	0	0	0	111.6	M59 E148 G460 E461 I462	M59-T458 HydrophobicContact CE-CG2 3.88Å; E148-T458 VanDerWaalsContact OE2-CG2 3.32Å; E148-T458 WeakPolarHBondContact OE2-CG2 3.23Å; T458-G460 PolarHBondContact O-N 3.03Å; T458-E461 PolarHBondContact N-OE2 2.7Å; T458-E461 PolarHBondContact O-N 3.47Å; T458-E461 VanDerWaalsContact O-N 3.16Å; T458-E461 VanDerWaalsContact OG1-CD 3.3Å; T458-E461 VanDerWaalsContact OG1-CG 3.26Å; T458-E461 WeakPolarHBondContact OG1-CG 3.45Å; T458-E461 PolarHBondContact OG1-N 3.04Å; T458-E461 PolarHBondContact OG1-OE2 3.44Å; T458-E461 VanDerWaalsContact OG1-OE2 3.12Å; T458-I462 VanDerWaalsContact O-CG1 3.3Å; T458-I462 WeakPolarHBondContact O-CG1 3.45Å; T458-I462 PolarHBondContact O-N 3.27Å
459	T	87.8	Confident	91.2	Very high	48 Å²	48	40.8 Å²	40.8	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-55.9	-38	174.1	-64.5	0	0	0	0	112.2	T213 I462 L463	T213-T459 WeakPolarHBondContact OG1-CG2 3.34Å; T213-T459 PolarHBondContact OG1-OG1 3.07Å; T459-I462 PolarHBondContact O-N 3.39Å; T459-L463 HydrophobicContact CG2-CD1 4.01Å; T459-L463 HydrophobicContact CG2-CG 4.41Å; T459-L463 WeakPolarHBondContact O-CB 3.3Å; T459-L463 WeakPolarHBondContact O-CG 3.38Å; T459-L463 PolarHBondContact O-N 2.91Å
460	G	83.6	Confident	91.2	Very high	48 Å²	48	40.8 Å²	40.8	50%	0.495	24%	0.243	S	C	.	.	H	α-helix	trans	-66.2	-40.2	177.3	0	0	0	0	0	113.3	T458 G464	T458-G460 PolarHBondContact O-N 3.03Å; G460-G464 PolarHBondContact O-N 3.38Å
461	E	86.6	Confident	91.2	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-67.5	-38.8	174.2	-71.1	162	164.7	0	0	111.9	Q457 T458 G464 M465	Q457-E461 PolarHBondContact N-OE2 2.67Å; T458-E461 PolarHBondContact N-OE2 2.7Å; T458-E461 PolarHBondContact O-N 3.47Å; T458-E461 VanDerWaalsContact O-N 3.16Å; T458-E461 VanDerWaalsContact OG1-CD 3.3Å; T458-E461 VanDerWaalsContact OG1-CG 3.26Å; T458-E461 WeakPolarHBondContact OG1-CG 3.45Å; T458-E461 PolarHBondContact OG1-N 3.04Å; T458-E461 PolarHBondContact OG1-OE2 3.44Å; T458-E461 VanDerWaalsContact OG1-OE2 3.12Å; E461-G464 PolarHBondContact O-N 2.95Å; E461-M465 PolarHBondContact O-N 3.09Å
462	I	92.8	Very high	91.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-50.2	175.8	-67.7	162.9	0	0	0	110.4	P212 T213 W397 W398 V456 T458 T459 G464 M465 F466	P212-I462 HydrophobicContact CB-CG2 3.5Å; P212-I462 VanDerWaalsContact CB-CG2 3.5Å; P212-I462 HydrophobicContact CG-CG2 3.63Å; T213-I462 HydrophobicContact CG2-CD1 3.87Å; W397-I462 HydrophobicContact CH2-CD1 4.13Å; W397-I462 HydrophobicContact CZ2-CD1 3.99Å; W398-I462 HydrophobicContact CB-CB 4.39Å; W398-I462 HydrophobicContact CB-CG1 3.99Å; W398-I462 HydrophobicContact CB-CG2 3.75Å; W398-I462 HydrophobicContact CD2-CG2 3.78Å; W398-I462 HydrophobicContact CE3-CG2 4.3Å; W398-I462 HydrophobicContact CG-CB 4.41Å; W398-I462 HydrophobicContact CG-CD1 4.25Å; W398-I462 HydrophobicContact CG-CG1 4.04Å; W398-I462 HydrophobicContact CG-CG2 3.5Å; V456-I462 HydrophobicContact CG1-CB 4.49Å; V456-I462 HydrophobicContact CG1-CG1 3.81Å; T458-I462 VanDerWaalsContact O-CG1 3.3Å; T458-I462 WeakPolarHBondContact O-CG1 3.45Å; T458-I462 PolarHBondContact O-N 3.27Å; T459-I462 PolarHBondContact O-N 3.39Å; I462-G464 PolarHBondContact O-N 2.81Å; I462-M465 WeakPolarHBondContact O-CB 3.35Å; I462-M465 PolarHBondContact O-N 2.7Å; I462-F466 HydrophobicContact CG2-CE2 4.06Å; I462-F466 VanDerWaalsContact O-CD2 3.27Å; I462-F466 WeakPolarHBondContact O-CD2 3.34Å
463	L	87.8	Confident	91.5	Very high	93 Å²	93	40.5 Å²	40.5	49%	0.487	23%	0.233	S	C	.	.	H	α-helix	trans	-57.7	-37	174.8	-75	169.6	0	0	0	111.6	P212 T459 M465 F466	P212-L463 HydrophobicContact CG-CD2 3.87Å; P212-L463 HydrophobicContact CG-CG 4.15Å; T459-L463 HydrophobicContact CG2-CD1 4.01Å; T459-L463 HydrophobicContact CG2-CG 4.41Å; T459-L463 WeakPolarHBondContact O-CB 3.3Å; T459-L463 WeakPolarHBondContact O-CG 3.38Å; T459-L463 PolarHBondContact O-N 2.91Å; L463-M465 PolarHBondContact O-N 2.81Å; L463-M465 VanDerWaalsContact O-N 3.09Å; L463-F466 PolarHBondContact O-N 2.75Å
464	G	85	Confident	91.8	Very high	22 Å²	22	37.5 Å²	37.5	23%	0.227	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-1.7	175.7	0	0	0	0	0	115.8	G460 E461 I462 R911	G460-G464 PolarHBondContact O-N 3.38Å; E461-G464 PolarHBondContact O-N 2.95Å; I462-G464 PolarHBondContact O-N 2.81Å; G464-R911 PolarHBondContact O-NH1 3.27Å
465	M	91.6	Very high	92.2	Very high	6 Å²	6	31 Å²	31	3%	0.03	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.9	169.9	-64	-69.3	-59.6	0	0	112.6	I401 A451 V456 E461 I462 L463 D467 S470	I401-M465 HydrophobicContact CG2-CB 3.72Å; I401-M465 HydrophobicContact CG2-CE 4.46Å; A451-M465 HydrophobicContact CB-CE 4.34Å; A451-M465 HydrophobicContact CB-SD 4.39Å; V456-M465 HydrophobicContact CG1-CG 4.07Å; V456-M465 HydrophobicContact CG2-CG 4.13Å; V456-M465 HydrophobicContact CG2-SD 3.92Å; E461-M465 PolarHBondContact O-N 3.09Å; I462-M465 WeakPolarHBondContact O-CB 3.35Å; I462-M465 PolarHBondContact O-N 2.7Å; L463-M465 PolarHBondContact O-N 2.81Å; L463-M465 VanDerWaalsContact O-N 3.09Å; M465-D467 VanDerWaalsContact C-N 3.33Å; M465-D467 PolarHBondContact O-N 2.72Å; M465-S470 WeakPolarHBondContact O-CB 3.47Å; M465-S470 PolarHBondContact O-OG 3.18Å
466	F	90.9	Very high	92.5	Very high	48 Å²	48	26.2 Å²	26.2	21%	0.211	15%	0.153	C	C	.	.	S	Bend	trans	-87.8	71.9	177.1	-67.1	-99.8	0	0	0	109.8	E211 P212 W398 I401 I462 L463 Y471	E211-F466 HydrophobicContact CG-CE1 4.29Å; E211-F466 HydrophobicContact CG-CZ 4.01Å; E211-F466 WeakPolarHBondContact OE1-CE1 3.24Å; P212-F466 HydrophobicContact CB-CE2 4.02Å; P212-F466 HydrophobicContact CB-CZ 4.13Å; P212-F466 HydrophobicContact CG-CE2 4.26Å; W398-F466 HydrophobicContact CE3-CE2 4.29Å; W398-F466 AromaticContact CE3-CZ 3.93Å; W398-F466 HydrophobicContact CE3-CZ 3.93Å; W398-F466 AromaticContact CZ3-CZ 3.77Å; W398-F466 HydrophobicContact CZ3-CZ 3.77Å; I401-F466 HydrophobicContact CD1-CE1 3.76Å; I401-F466 HydrophobicContact CD1-CZ 3.88Å; I401-F466 HydrophobicContact CG1-CD1 4.26Å; I401-F466 HydrophobicContact CG1-CE1 3.8Å; I401-F466 HydrophobicContact CG1-CE2 4.47Å; I401-F466 HydrophobicContact CG1-CZ 3.93Å; I462-F466 HydrophobicContact CG2-CE2 4.06Å; I462-F466 VanDerWaalsContact O-CD2 3.27Å; I462-F466 WeakPolarHBondContact O-CD2 3.34Å; L463-F466 PolarHBondContact O-N 2.75Å; F466-Y471 HydrophobicContact CB-CE2 4.33Å; F466-Y471 HydrophobicContact CD1-CE2 4.35Å
467	D	88.1	Confident	92.7	Very high	28 Å²	28	26 Å²	26	15%	0.15	15%	0.152	C	C	.	.	S	Bend	trans	-139.1	-175.3	-175.4	67.9	10.5	0	0	0	112.8	H447 M465 I469 S470 Y471	H447-D467 IonicContact CD2-OD2 3.26Å; H447-D467 PolarHBondContact CD2-OD2 3.49Å; H447-D467 VanDerWaalsContact CD2-OD2 3.31Å; H447-D467 IonicContact CE1-OD1 2.8Å; H447-D467 VanDerWaalsContact NE2-CG 3.32Å; H447-D467 IonicContact NE2-OD1 2.83Å; H447-D467 PolarHBondContact NE2-OD1 3Å; H447-D467 VanDerWaalsContact NE2-OD1 3.13Å; H447-D467 IonicContact NE2-OD2 2.74Å; H447-D467 PolarHBondContact NE2-OD2 2.72Å; M465-D467 VanDerWaalsContact C-N 3.33Å; M465-D467 PolarHBondContact O-N 2.72Å; D467-I469 PolarHBondContact O-N 2.67Å; D467-I469 WeakPolarHBondContact OD1-CA 3.45Å; D467-I469 VanDerWaalsContact OD1-CB 3.24Å; D467-I469 WeakPolarHBondContact OD1-CB 3.26Å; D467-I469 PolarHBondContact OD1-N 2.77Å; D467-S470 PolarHBondContact O-N 2.88Å; D467-S470 PolarHBondContact OD1-N 3.43Å; D467-Y471 VanDerWaalsContact O-CD2 3.27Å; D467-Y471 WeakPolarHBondContact O-CD2 3.32Å; D467-Y471 PolarHBondContact O-N 3.19Å
468	A	91.5	Very high	93	Very high	24 Å²	24	24.3 Å²	24.3	20%	0.198	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.2	-177.8	0	0	0	0	0	113.1	A436 E440 S472 K473	A436-A468 HydrophobicContact CB-CB 4.31Å; E440-A468 WeakPolarHBondContact OE2-CB 3.4Å; A468-S472 WeakPolarHBondContact O-CA 3.32Å; A468-S472 WeakPolarHBondContact O-CB 3.46Å; A468-S472 PolarHBondContact O-N 2.85Å; A468-K473 PolarHBondContact O-N 3.25Å
469	I	95.8	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-71.6	-55	173.6	-56.4	-56	0	0	0	109.2	E440 D441 L449 D467 Y471 K473 G474	E440-I469 HydrophobicContact CB-CD1 4.22Å; E440-I469 HydrophobicContact CG-CD1 4.03Å; E440-I469 HydrophobicContact CG-CG1 4.14Å; D441-I469 HydrophobicContact CB-CD1 3.69Å; L449-I469 HydrophobicContact CD2-CG2 4.01Å; L449-I469 WeakPolarHBondContact CD2-O 3.12Å; L449-I469 HydrophobicContact CG-CG2 4.43Å; D467-I469 PolarHBondContact O-N 2.67Å; D467-I469 WeakPolarHBondContact OD1-CA 3.45Å; D467-I469 VanDerWaalsContact OD1-CB 3.24Å; D467-I469 WeakPolarHBondContact OD1-CB 3.26Å; D467-I469 PolarHBondContact OD1-N 2.77Å; I469-Y471 PolarHBondContact O-N 3.16Å; I469-K473 HydrophobicContact CD1-CD 4.48Å; I469-K473 HydrophobicContact CG2-CB 4.48Å; I469-K473 HydrophobicContact CG2-CD 4.02Å; I469-K473 VanDerWaalsContact O-CB 3.26Å; I469-K473 WeakPolarHBondContact O-CB 3.1Å; I469-K473 PolarHBondContact O-N 3.24Å; I469-G474 PolarHBondContact O-N 2.93Å; I469-G474 VanDerWaalsContact O-N 3.1Å
470	S	97.4	Very high	93.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-64.6	-39.8	-176.6	-68.4	0	0	0	0	113.6	I401 G406 M465 D467	I401-S470 WeakPolarHBondContact CG2-OG 3.39Å; G406-S470 WeakPolarHBondContact CA-O 3.42Å; G406-S470 PolarHBondContact N-O 3.49Å; M465-S470 WeakPolarHBondContact O-CB 3.47Å; M465-S470 PolarHBondContact O-OG 3.18Å; D467-S470 PolarHBondContact O-N 2.88Å; D467-S470 PolarHBondContact OD1-N 3.43Å
471	Y	97.9	Very high	94.4	Very high	65 Å²	65	20.3 Å²	20.3	26%	0.255	11%	0.105	S	C	.	.	I	π-helix	trans	-80.8	-69.4	179.4	-69.3	-105	0	0	0	110.9	E405 F466 D467 I469 A475	E405-Y471 HydrophobicContact CB-CD1 3.87Å; E405-Y471 HydrophobicContact CB-CD2 4.09Å; E405-Y471 HydrophobicContact CB-CE1 3.85Å; E405-Y471 HydrophobicContact CB-CE2 4.09Å; E405-Y471 HydrophobicContact CB-CG 3.99Å; E405-Y471 HydrophobicContact CG-CD1 4.33Å; E405-Y471 HydrophobicContact CG-CD2 4.38Å; E405-Y471 HydrophobicContact CG-CE1 3.8Å; E405-Y471 HydrophobicContact CG-CE2 3.88Å; E405-Y471 PolarHBondContact OE1-OH 3.12Å; E405-Y471 WeakPolarHBondContact OE2-CE1 3.48Å; F466-Y471 HydrophobicContact CB-CE2 4.33Å; F466-Y471 HydrophobicContact CD1-CE2 4.35Å; D467-Y471 VanDerWaalsContact O-CD2 3.27Å; D467-Y471 WeakPolarHBondContact O-CD2 3.32Å; D467-Y471 PolarHBondContact O-N 3.19Å; I469-Y471 PolarHBondContact O-N 3.16Å; Y471-A475 WeakPolarHBondContact O-CB 3.24Å; Y471-A475 PolarHBondContact O-N 3.27Å
472	S	97.9	Very high	94.8	Very high	12 Å²	12	16.5 Å²	16.5	8%	0.084	9%	0.087	C	C	.	.	I	π-helix	trans	-76.2	-47.3	-167.3	-57.1	0	0	0	0	113.3	D433 A468 G474 A475 M476	D433-S472 VanDerWaalsContact O-CB 3.31Å; D433-S472 WeakPolarHBondContact O-CB 3.27Å; D433-S472 VanDerWaalsContact OD1-CB 3.3Å; D433-S472 WeakPolarHBondContact OD1-CB 3.43Å; D433-S472 PolarHBondContact OD1-OG 3.01Å; A468-S472 WeakPolarHBondContact O-CA 3.32Å; A468-S472 WeakPolarHBondContact O-CB 3.46Å; A468-S472 PolarHBondContact O-N 2.85Å; S472-G474 VanDerWaalsContact C-N 3.31Å; S472-G474 PolarHBondContact O-N 3.48Å; S472-A475 PolarHBondContact O-N 3.14Å; S472-M476 WeakPolarHBondContact O-CG 3.38Å; S472-M476 PolarHBondContact O-N 3.37Å
473	K	98.3	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-63.6	-41.2	174.3	179.1	-177.2	-178.5	167	0	110.3	A437 D441 L449 A468 I469 A475 M476 V477 G539 Y615	A437-K473 HydrophobicContact CB-CB 3.94Å; D441-K473 IonicContact OD1-NZ 3.56Å; D441-K473 PolarHBondContact OD1-NZ 3.01Å; D441-K473 WeakPolarHBondContact OD2-CD 3.28Å; D441-K473 VanDerWaalsContact OD2-CE 3.3Å; D441-K473 WeakPolarHBondContact OD2-CE 3.38Å; D441-K473 IonicContact OD2-NZ 3.58Å; D441-K473 PolarHBondContact OD2-NZ 2.68Å; L449-K473 HydrophobicContact CD1-CD 4.37Å; L449-K473 HydrophobicContact CD1-CG 4.17Å; L449-K473 HydrophobicContact CD2-CB 4.26Å; L449-K473 HydrophobicContact CD2-CD 4.35Å; L449-K473 HydrophobicContact CD2-CG 4.24Å; L449-K473 HydrophobicContact CG-CD 4.08Å; L449-K473 HydrophobicContact CG-CG 4.25Å; A468-K473 PolarHBondContact O-N 3.25Å; I469-K473 HydrophobicContact CD1-CD 4.48Å; I469-K473 HydrophobicContact CG2-CB 4.48Å; I469-K473 HydrophobicContact CG2-CD 4.02Å; I469-K473 VanDerWaalsContact O-CB 3.26Å; I469-K473 WeakPolarHBondContact O-CB 3.1Å; I469-K473 PolarHBondContact O-N 3.24Å; K473-A475 VanDerWaalsContact C-N 3.35Å; K473-A475 PolarHBondContact O-N 2.87Å; K473-M476 PolarHBondContact O-N 3.17Å; K473-V477 HydrophobicContact CG-CG2 3.97Å; K473-V477 VanDerWaalsContact O-CB 3.29Å; K473-V477 WeakPolarHBondContact O-CB 3.28Å; K473-V477 VanDerWaalsContact O-CG2 3.27Å; K473-V477 WeakPolarHBondContact O-CG2 3.12Å; K473-V477 PolarHBondContact O-N 3.29Å; K473-G539 PolarHBondContact NZ-O 3.38Å; K473-Y615 HydrophobicContact CD-CE1 3.94Å; K473-Y615 HydrophobicContact CG-CD1 4.43Å; K473-Y615 HydrophobicContact CG-CE1 3.74Å; K473-Y615 HydrophobicContact CG-CE2 4.31Å
474	G	98.2	Very high	95.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-51.7	-52.3	173.9	0	0	0	0	0	111.8	I469 S472 V477 L478	I469-G474 PolarHBondContact O-N 2.93Å; I469-G474 VanDerWaalsContact O-N 3.1Å; S472-G474 VanDerWaalsContact C-N 3.31Å; S472-G474 PolarHBondContact O-N 3.48Å; G474-V477 PolarHBondContact O-N 3.32Å; G474-L478 VanDerWaalsContact O-CG 3.3Å; G474-L478 WeakPolarHBondContact O-CG 3.41Å; G474-L478 PolarHBondContact O-N 3.45Å
475	A	98.2	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.1	-43.1	177.8	0	0	0	0	0	113.4	T409 Y471 S472 K473 V477 L478 R479	T409-A475 HydrophobicContact CG2-CB 3.64Å; Y471-A475 WeakPolarHBondContact O-CB 3.24Å; Y471-A475 PolarHBondContact O-N 3.27Å; S472-A475 PolarHBondContact O-N 3.14Å; K473-A475 VanDerWaalsContact C-N 3.35Å; K473-A475 PolarHBondContact O-N 2.87Å; A475-V477 PolarHBondContact O-N 3.16Å; A475-L478 PolarHBondContact O-N 3.05Å; A475-R479 PolarHBondContact O-N 2.99Å
476	M	97.4	Very high	95.6	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-39.1	-179.8	-69.5	-46	93.1	0	0	112.2	M429 D433 L434 S472 K473 R479 M480 Y615	M429-M476 HydrophobicContact CE-CE 3.13Å; M429-M476 HydrophobicContact CE-SD 4.14Å; M429-M476 HydrophobicContact CG-CE 3.69Å; M429-M476 HydrophobicContact SD-CE 4.25Å; D433-M476 HydrophobicContact CB-CE 3.42Å; D433-M476 VanDerWaalsContact CB-CE 3.42Å; D433-M476 HydrophobicContact CB-CG 4.45Å; D433-M476 HydrophobicContact CB-SD 4.25Å; L434-M476 HydrophobicContact CB-CG 4.12Å; L434-M476 HydrophobicContact CB-SD 3.91Å; L434-M476 HydrophobicContact CD1-CB 4.39Å; L434-M476 HydrophobicContact CD1-CG 3.81Å; L434-M476 HydrophobicContact CD1-SD 4.26Å; S472-M476 WeakPolarHBondContact O-CG 3.38Å; S472-M476 PolarHBondContact O-N 3.37Å; K473-M476 PolarHBondContact O-N 3.17Å; M476-R479 PolarHBondContact O-N 2.98Å; M476-M480 WeakPolarHBondContact O-CB 3.49Å; M476-M480 PolarHBondContact O-N 3.31Å; M476-Y615 HydrophobicContact CB-CD2 3.67Å; M476-Y615 HydrophobicContact CB-CE2 4.19Å; M476-Y615 HydrophobicContact CG-CD2 4.19Å; M476-Y615 HydrophobicContact CG-CE2 4.41Å
477	V	97.7	Very high	95.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.6	-36	177.9	168.6	0	0	0	0	110.8	L449 K473 G474 A475 M480 L481 M531 W534 Y615	L449-V477 HydrophobicContact CD1-CB 4.34Å; L449-V477 HydrophobicContact CD1-CG1 4.36Å; L449-V477 HydrophobicContact CD1-CG2 4.29Å; K473-V477 HydrophobicContact CG-CG2 3.97Å; K473-V477 VanDerWaalsContact O-CB 3.29Å; K473-V477 WeakPolarHBondContact O-CB 3.28Å; K473-V477 VanDerWaalsContact O-CG2 3.27Å; K473-V477 WeakPolarHBondContact O-CG2 3.12Å; K473-V477 PolarHBondContact O-N 3.29Å; G474-V477 PolarHBondContact O-N 3.32Å; A475-V477 PolarHBondContact O-N 3.16Å; V477-M480 PolarHBondContact O-N 2.85Å; V477-L481 WeakPolarHBondContact O-CB 3.37Å; V477-L481 PolarHBondContact O-N 2.76Å; V477-M531 HydrophobicContact CG1-CE 3.14Å; V477-W534 HydrophobicContact CG1-CB 4.04Å; V477-W534 HydrophobicContact CG2-CB 4.48Å; V477-Y615 HydrophobicContact CG2-CD1 4.3Å; V477-Y615 HydrophobicContact CG2-CG 4.35Å
478	L	97.9	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-42.9	171	-72.7	171.5	0	0	0	112.6	W402 F407 Y410 G474 A475 M480 L481 A482 F490	W402-L478 HydrophobicContact CZ3-CD1 4.49Å; W402-L478 HydrophobicContact CZ3-CD2 4.15Å; W402-L478 HydrophobicContact CZ3-CG 4.23Å; F407-L478 HydrophobicContact CB-CD1 4.32Å; F407-L478 HydrophobicContact CD1-CD1 3.9Å; F407-L478 HydrophobicContact CD2-CD1 3.67Å; F407-L478 HydrophobicContact CD2-CD2 4.38Å; F407-L478 HydrophobicContact CE1-CD1 4.07Å; F407-L478 HydrophobicContact CE1-CD2 4.01Å; F407-L478 HydrophobicContact CE2-CD1 3.86Å; F407-L478 HydrophobicContact CE2-CD2 3.7Å; F407-L478 HydrophobicContact CE2-CG 4.43Å; F407-L478 HydrophobicContact CG-CD1 3.71Å; F407-L478 HydrophobicContact CZ-CD1 4.06Å; F407-L478 HydrophobicContact CZ-CD2 3.49Å; F407-L478 VanDerWaalsContact CZ-CD2 3.49Å; F407-L478 HydrophobicContact CZ-CG 4.45Å; Y410-L478 HydrophobicContact CD1-CB 3.93Å; Y410-L478 HydrophobicContact CE1-CB 4.47Å; Y410-L478 HydrophobicContact CG-CB 4.24Å; G474-L478 VanDerWaalsContact O-CG 3.3Å; G474-L478 WeakPolarHBondContact O-CG 3.41Å; G474-L478 PolarHBondContact O-N 3.45Å; A475-L478 PolarHBondContact O-N 3.05Å; L478-M480 PolarHBondContact O-N 2.81Å; L478-L481 WeakPolarHBondContact O-CB 3.34Å; L478-L481 PolarHBondContact O-N 3.43Å; L478-A482 WeakPolarHBondContact O-CB 3.12Å; L478-A482 PolarHBondContact O-N 3.07Å; L478-F490 HydrophobicContact CD2-CE2 4.26Å; L478-F490 HydrophobicContact CD2-CZ 4.22Å
479	R	96.6	Very high	96.2	Very high	38 Å²	38	28.9 Å²	28.9	14%	0.143	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-45.6	173.4	174.9	174.9	168.6	-99.9	0.8	111.7	Y410 M429 A475 M476 L481 A482 E483 N611 T612	Y410-R479 HydrophobicContact CD2-CB 4.31Å; Y410-R479 HydrophobicContact CE2-CB 3.89Å; Y410-R479 HydrophobicContact CE2-CG 4.45Å; M429-R479 HydrophobicContact CE-CB 3.82Å; M429-R479 VanDerWaalsContact CE-CD 3.47Å; M429-R479 HydrophobicContact CE-CG 4.21Å; A475-R479 PolarHBondContact O-N 2.99Å; M476-R479 PolarHBondContact O-N 2.98Å; R479-L481 VanDerWaalsContact C-N 3.3Å; R479-L481 PolarHBondContact O-N 3.47Å; R479-A482 PolarHBondContact O-N 3.35Å; R479-E483 PolarHBondContact O-N 2.83Å; R479-N611 PolarHBondContact NH2-O 3.07Å; R479-T612 PolarHBondContact NH1-O 3.29Å
480	M	96.9	Very high	96.3	Very high	3 Å²	3	29 Å²	29	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-40.6	176	-178	179.7	60.3	0	0	111.4	M476 V477 L478 Y484 F530 W534 P572 T613	M476-M480 WeakPolarHBondContact O-CB 3.49Å; M476-M480 PolarHBondContact O-N 3.31Å; V477-M480 PolarHBondContact O-N 2.85Å; L478-M480 PolarHBondContact O-N 2.81Å; M480-Y484 WeakPolarHBondContact O-CB 3.37Å; M480-Y484 PolarHBondContact O-N 3.03Å; M480-F530 HydrophobicContact CE-CE2 4.27Å; M480-F530 HydrophobicContact CE-CZ 3.86Å; M480-F530 HydrophobicContact CG-CZ 4.09Å; M480-F530 HydrophobicContact SD-CZ 4.17Å; M480-W534 HydrophobicContact CE-CD2 3.55Å; M480-W534 HydrophobicContact CE-CE3 3.98Å; M480-W534 HydrophobicContact CE-CG 3.86Å; M480-W534 HydrophobicContact CE-CH2 4.32Å; M480-W534 HydrophobicContact CE-CZ2 3.94Å; M480-W534 HydrophobicContact CE-CZ3 4.35Å; M480-W534 HydrophobicContact SD-CH2 4.33Å; M480-W534 HydrophobicContact SD-CZ2 4.08Å; M480-P572 HydrophobicContact CG-CG 4.33Å; M480-P572 HydrophobicContact SD-CG 4.34Å; M480-T613 WeakPolarHBondContact CA-O 3.21Å; M480-T613 WeakPolarHBondContact CB-O 3.31Å
481	L	97.3	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-45.8	175.4	177.2	60.9	0	0	0	112	V477 L478 R479 E483 Y484 V485 F490 W512 I515 V527 F530 M531	V477-L481 WeakPolarHBondContact O-CB 3.37Å; V477-L481 PolarHBondContact O-N 2.76Å; L478-L481 WeakPolarHBondContact O-CB 3.34Å; L478-L481 PolarHBondContact O-N 3.43Å; R479-L481 VanDerWaalsContact C-N 3.3Å; R479-L481 PolarHBondContact O-N 3.47Å; L481-E483 PolarHBondContact O-N 3.23Å; L481-Y484 HydrophobicContact CD1-CD1 4.23Å; L481-Y484 WeakPolarHBondContact O-CB 3.47Å; L481-Y484 PolarHBondContact O-N 3.3Å; L481-Y484 VanDerWaalsContact O-N 3.15Å; L481-V485 HydrophobicContact CD1-CG1 3.6Å; L481-V485 HydrophobicContact CG-CG1 4.39Å; L481-V485 WeakPolarHBondContact O-CG2 3.27Å; L481-V485 PolarHBondContact O-N 2.96Å; L481-F490 HydrophobicContact CD2-CD2 4.46Å; L481-F490 HydrophobicContact CD2-CE2 4.17Å; L481-F490 HydrophobicContact CG-CD2 4.29Å; L481-F490 HydrophobicContact CG-CE2 4.33Å; L481-W512 HydrophobicContact CD2-CE3 4.11Å; L481-W512 HydrophobicContact CD2-CH2 4.16Å; L481-W512 HydrophobicContact CD2-CZ3 3.38Å; L481-I515 HydrophobicContact CD2-CD1 3.78Å; L481-V527 HydrophobicContact CD1-CG1 3.98Å; L481-V527 HydrophobicContact CD2-CG1 4.36Å; L481-F530 HydrophobicContact CD1-CD1 3.99Å; L481-F530 HydrophobicContact CD1-CE1 4.04Å; L481-M531 HydrophobicContact CB-CE 4.09Å; L481-M531 HydrophobicContact CB-SD 3.96Å; L481-M531 HydrophobicContact CD1-CG 4.09Å; L481-M531 HydrophobicContact CD1-SD 3.79Å; L481-M531 HydrophobicContact CD2-CE 4.12Å; L481-M531 HydrophobicContact CD2-CG 4.21Å; L481-M531 HydrophobicContact CD2-SD 4.13Å; L481-M531 HydrophobicContact CG-SD 4.17Å
482	A	96.4	Very high	96.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-58.5	-45.5	177.5	0	0	0	0	0	111.4	Y410 L478 R479 Y484 V485 K486 F490	Y410-A482 WeakPolarHBondContact OH-CB 3.27Å; L478-A482 WeakPolarHBondContact O-CB 3.12Å; L478-A482 PolarHBondContact O-N 3.07Å; R479-A482 PolarHBondContact O-N 3.35Å; A482-Y484 VanDerWaalsContact C-N 3.31Å; A482-Y484 PolarHBondContact O-N 3.5Å; A482-V485 PolarHBondContact O-N 3.22Å; A482-K486 CarbonylContact O-C 3.59Å; A482-K486 VanDerWaalsContact O-C 3.28Å; A482-K486 WeakPolarHBondContact O-CA 3.48Å; A482-K486 PolarHBondContact O-N 2.65Å; A482-F490 HydrophobicContact CB-CB 4.22Å; A482-F490 HydrophobicContact CB-CD1 4.2Å; A482-F490 HydrophobicContact CB-CD2 3.95Å; A482-F490 HydrophobicContact CB-CE2 4.36Å; A482-F490 HydrophobicContact CB-CG 3.86Å
483	E	93.5	Very high	96.3	Very high	83 Å²	83	29.1 Å²	29.1	39%	0.388	14%	0.138	S	C	.	.	H	α-helix	trans	-62.7	-38.3	175.6	-178.7	55.5	-127.3	0	0	112	R479 L481 K486 T613	R479-E483 PolarHBondContact O-N 2.83Å; L481-E483 PolarHBondContact O-N 3.23Å; E483-K486 WeakPolarHBondContact O-CD 3.41Å; E483-K486 WeakPolarHBondContact O-CE 3.38Å; E483-K486 PolarHBondContact O-NZ 3.03Å; E483-K486 IonicContact OE1-NZ 2.8Å; E483-K486 PolarHBondContact OE1-NZ 2.95Å; E483-T613 HydrophobicContact CG-CG2 4.18Å
484	Y	92	Very high	96.2	Very high	28 Å²	28	29.2 Å²	29.2	11%	0.11	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-51.5	178.3	167.7	-127.7	0	0	0	112.8	M480 L481 A482 K486 R519 P525 F530 W586	M480-Y484 WeakPolarHBondContact O-CB 3.37Å; M480-Y484 PolarHBondContact O-N 3.03Å; L481-Y484 HydrophobicContact CD1-CD1 4.23Å; L481-Y484 WeakPolarHBondContact O-CB 3.47Å; L481-Y484 PolarHBondContact O-N 3.3Å; L481-Y484 VanDerWaalsContact O-N 3.15Å; A482-Y484 VanDerWaalsContact C-N 3.31Å; A482-Y484 PolarHBondContact O-N 3.5Å; Y484-K486 VanDerWaalsContact C-N 3.28Å; Y484-R519 VanDerWaalsContact OH-CZ 3.25Å; Y484-R519 PolarHBondContact OH-NH1 2.98Å; Y484-R519 PolarHBondContact OH-NH2 3.38Å; Y484-P525 WeakPolarHBondContact OH-CD 3.34Å; Y484-P525 WeakPolarHBondContact OH-CG 3.4Å; Y484-P525 PolarHBondContact OH-O 2.83Å; Y484-F530 AromaticContact CD1-CD1 3.24Å; Y484-F530 HydrophobicContact CD1-CD1 3.24Å; Y484-F530 AromaticContact CD1-CE1 3.42Å; Y484-F530 HydrophobicContact CD1-CE1 3.42Å; Y484-F530 VanDerWaalsContact CD1-CE1 3.42Å; Y484-F530 HydrophobicContact CD1-CG 4.15Å; Y484-F530 HydrophobicContact CD1-CZ 4.45Å; Y484-F530 HydrophobicContact CE1-CB 4.19Å; Y484-F530 AromaticContact CE1-CD1 3.52Å; Y484-F530 HydrophobicContact CE1-CD1 3.52Å; Y484-F530 HydrophobicContact CE1-CE1 4.15Å; Y484-F530 HydrophobicContact CE1-CG 4.04Å; Y484-F530 HydrophobicContact CG-CD1 4.1Å; Y484-F530 AromaticContact CG-CE1 3.86Å; Y484-F530 HydrophobicContact CG-CE1 3.86Å; Y484-W586 HydrophobicContact CD2-CH2 4.09Å; Y484-W586 AromaticContact CD2-CZ2 3.48Å; Y484-W586 HydrophobicContact CD2-CZ2 3.48Å; Y484-W586 VanDerWaalsContact CD2-CZ2 3.48Å; Y484-W586 HydrophobicContact CE1-CH2 4.4Å; Y484-W586 HydrophobicContact CE1-CZ2 4.35Å; Y484-W586 AromaticContact CE2-CE2 3.99Å; Y484-W586 AromaticContact CE2-CH2 3.93Å; Y484-W586 HydrophobicContact CE2-CH2 3.93Å; Y484-W586 AromaticContact CE2-CZ2 3.14Å; Y484-W586 HydrophobicContact CE2-CZ2 3.14Å; Y484-W586 HydrophobicContact CG-CH2 4.41Å; Y484-W586 HydrophobicContact CG-CZ2 4.23Å; Y484-W586 AromaticContact CZ-CZ2 3.56Å
485	V	94.3	Very high	96.2	Very high	6 Å²	6	32 Å²	32	4%	0.036	15%	0.149	C	C	.	.	H	α-helix	trans	-80.7	-14.8	-176.4	-53.2	0	0	0	0	112.7	L481 A482 A489 F490 I515 R519 V527	L481-V485 HydrophobicContact CD1-CG1 3.6Å; L481-V485 HydrophobicContact CG-CG1 4.39Å; L481-V485 WeakPolarHBondContact O-CG2 3.27Å; L481-V485 PolarHBondContact O-N 2.96Å; A482-V485 PolarHBondContact O-N 3.22Å; V485-A489 HydrophobicContact CG2-CB 4.49Å; V485-A489 WeakPolarHBondContact O-CB 3.33Å; V485-F490 HydrophobicContact CG2-CB 3.64Å; V485-F490 HydrophobicContact CG2-CD2 4.27Å; V485-F490 HydrophobicContact CG2-CG 4.47Å; V485-I515 HydrophobicContact CB-CG2 4.34Å; V485-I515 HydrophobicContact CG1-CG2 4Å; V485-I515 HydrophobicContact CG2-CG2 4.01Å; V485-R519 HydrophobicContact CB-CG 4.36Å; V485-V527 HydrophobicContact CG1-CG2 4.07Å
486	K	93.6	Very high	96.2	Very high	111 Å²	111	36.7 Å²	36.7	48%	0.483	17%	0.171	S	C	.	.			trans	74.3	135.9	-168.8	-50.2	-58.7	173	-158.7	0	112.6	A482 E483 Y484 K488 A489 F490	A482-K486 CarbonylContact O-C 3.59Å; A482-K486 VanDerWaalsContact O-C 3.28Å; A482-K486 WeakPolarHBondContact O-CA 3.48Å; A482-K486 PolarHBondContact O-N 2.65Å; E483-K486 WeakPolarHBondContact O-CD 3.41Å; E483-K486 WeakPolarHBondContact O-CE 3.38Å; E483-K486 PolarHBondContact O-NZ 3.03Å; E483-K486 IonicContact OE1-NZ 2.8Å; E483-K486 PolarHBondContact OE1-NZ 2.95Å; Y484-K486 VanDerWaalsContact C-N 3.28Å; K486-K488 VanDerWaalsContact C-N 3.25Å; K486-K488 PolarHBondContact O-N 2.89Å; K486-A489 PolarHBondContact O-N 2.72Å; K486-F490 PolarHBondContact O-N 2.96Å; K486-F490 VanDerWaalsContact O-N 3.09Å
487	D	92.7	Very high	96.2	Very high	96 Å²	96	36.8 Å²	36.8	51%	0.513	17%	0.171	S	C	.	.	H	α-helix	trans	-44.7	-46.9	-172.2	-57.9	-20.4	0	0	0	113.2	A489 F490 D491	D487-A489 VanDerWaalsContact C-N 3.35Å; D487-A489 PolarHBondContact O-N 2.92Å; D487-F490 WeakPolarHBondContact O-CB 3.27Å; D487-F490 PolarHBondContact O-N 3.18Å; D487-F490 VanDerWaalsContact O-N 3.16Å; D487-D491 WeakPolarHBondContact O-CB 3.4Å; D487-D491 VanDerWaalsContact O-CG 3.23Å; D487-D491 PolarHBondContact O-N 3.45Å
488	K	95	Very high	96.3	Very high	148 Å²	148	36.8 Å²	36.8	64%	0.643	17%	0.171	S	C	*	.	H	α-helix	trans	-57.1	-45.5	179.2	-174.2	-173.5	177.4	-58.3	0	112.9	K486 D492	K486-K488 VanDerWaalsContact C-N 3.25Å; K486-K488 PolarHBondContact O-N 2.89Å; K488-D492 IonicContact NZ-OD2 3.67Å; K488-D492 PolarHBondContact NZ-OD2 3.25Å; K488-D492 VanDerWaalsContact O-CB 3.32Å; K488-D492 WeakPolarHBondContact O-CB 3.4Å; K488-D492 PolarHBondContact O-N 2.95Å
489	A	96.1	Very high	96.2	Very high	13 Å²	13	40.5 Å²	40.5	11%	0.107	19%	0.187	C	C	.	.	H	α-helix	trans	-73.7	-32.9	-179.6	0	0	0	0	0	111.7	V485 K486 D487 G493 A518 R519	V485-A489 HydrophobicContact CG2-CB 4.49Å; V485-A489 WeakPolarHBondContact O-CB 3.33Å; K486-A489 PolarHBondContact O-N 2.72Å; D487-A489 VanDerWaalsContact C-N 3.35Å; D487-A489 PolarHBondContact O-N 2.92Å; A489-G493 PolarHBondContact O-N 3.01Å; A489-G493 VanDerWaalsContact O-N 3.09Å; A489-A518 HydrophobicContact CB-CB 4.49Å; A489-A518 WeakPolarHBondContact O-CB 3.36Å; A489-R519 HydrophobicContact CB-CB 4.03Å
490	F	97.5	Very high	96.2	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-57.6	171.5	-175.9	-94.6	0	0	0	110	F407 Y410 M411 L478 L481 A482 V485 K486 D487 D492 G493 I494 I515	F407-F490 HydrophobicContact CE1-CZ 4.07Å; Y410-F490 HydrophobicContact CD1-CE1 4.43Å; Y410-F490 HydrophobicContact CD1-CZ 4.38Å; Y410-F490 AromaticContact CE1-CE1 3.78Å; Y410-F490 HydrophobicContact CE1-CE1 3.78Å; Y410-F490 AromaticContact CE1-CZ 3.97Å; Y410-F490 HydrophobicContact CE1-CZ 3.97Å; M411-F490 HydrophobicContact CE-CE1 3.94Å; L478-F490 HydrophobicContact CD2-CE2 4.26Å; L478-F490 HydrophobicContact CD2-CZ 4.22Å; L481-F490 HydrophobicContact CD2-CD2 4.46Å; L481-F490 HydrophobicContact CD2-CE2 4.17Å; L481-F490 HydrophobicContact CG-CD2 4.29Å; L481-F490 HydrophobicContact CG-CE2 4.33Å; A482-F490 HydrophobicContact CB-CB 4.22Å; A482-F490 HydrophobicContact CB-CD1 4.2Å; A482-F490 HydrophobicContact CB-CD2 3.95Å; A482-F490 HydrophobicContact CB-CE2 4.36Å; A482-F490 HydrophobicContact CB-CG 3.86Å; V485-F490 HydrophobicContact CG2-CB 3.64Å; V485-F490 HydrophobicContact CG2-CD2 4.27Å; V485-F490 HydrophobicContact CG2-CG 4.47Å; K486-F490 PolarHBondContact O-N 2.96Å; K486-F490 VanDerWaalsContact O-N 3.09Å; D487-F490 WeakPolarHBondContact O-CB 3.27Å; D487-F490 PolarHBondContact O-N 3.18Å; D487-F490 VanDerWaalsContact O-N 3.16Å; F490-D492 PolarHBondContact O-N 3.32Å; F490-G493 WeakPolarHBondContact O-CA 3.3Å; F490-G493 PolarHBondContact O-N 3.13Å; F490-I494 HydrophobicContact CD1-CG1 4.02Å; F490-I494 HydrophobicContact CE1-CD1 4.39Å; F490-I494 HydrophobicContact CE1-CG1 3.73Å; F490-I494 HydrophobicContact CZ-CD1 4.18Å; F490-I494 HydrophobicContact CZ-CG1 4.02Å; F490-I494 WeakPolarHBondContact O-CG1 3.38Å; F490-I494 PolarHBondContact O-N 3.35Å; F490-I515 HydrophobicContact CD2-CD1 4.12Å; F490-I515 HydrophobicContact CE2-CD1 4.08Å
491	D	96.9	Very high	96.2	Very high	30 Å²	30	43.8 Å²	43.8	16%	0.16	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-47.9	-179.6	-66.1	-4.6	0	0	0	111.8	H325 D487 G493 I494 R495	H325-D491 IonicContact CE1-OD1 2.72Å; H325-D491 PolarHBondContact CE1-OD1 3.47Å; H325-D491 IonicContact CE1-OD2 2.88Å; H325-D491 PolarHBondContact CE1-OD2 3.39Å; H325-D491 IonicContact NE2-OD1 3.4Å; D487-D491 WeakPolarHBondContact O-CB 3.4Å; D487-D491 VanDerWaalsContact O-CG 3.23Å; D487-D491 PolarHBondContact O-N 3.45Å; D491-G493 VanDerWaalsContact C-N 3.27Å; D491-G493 PolarHBondContact O-N 3.28Å; D491-I494 PolarHBondContact O-N 3.2Å; D491-R495 WeakPolarHBondContact O-CB 3.39Å; D491-R495 WeakPolarHBondContact O-CG 3.25Å; D491-R495 PolarHBondContact O-N 3.45Å
492	D	97.3	Very high	96.1	Very high	51 Å²	51	49.9 Å²	49.9	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-36.4	178.7	-73.5	-18	0	0	0	111.9	K488 F490 R495 E496 A518	K488-D492 IonicContact NZ-OD2 3.67Å; K488-D492 PolarHBondContact NZ-OD2 3.25Å; K488-D492 VanDerWaalsContact O-CB 3.32Å; K488-D492 WeakPolarHBondContact O-CB 3.4Å; K488-D492 PolarHBondContact O-N 2.95Å; F490-D492 PolarHBondContact O-N 3.32Å; D492-R495 IonicContact OD1-CZ 3.7Å; D492-R495 IonicContact OD1-NH1 2.76Å; D492-R495 PolarHBondContact OD1-NH1 2.84Å; D492-E496 PolarHBondContact O-N 3.31Å; D492-A518 HydrophobicContact CB-CB 3.96Å
493	G	97.5	Very high	95.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-46.1	174.1	0	0	0	0	0	112.4	A489 F490 D491 R495 E496 Y497 F514	A489-G493 PolarHBondContact O-N 3.01Å; A489-G493 VanDerWaalsContact O-N 3.09Å; F490-G493 WeakPolarHBondContact O-CA 3.3Å; F490-G493 PolarHBondContact O-N 3.13Å; D491-G493 VanDerWaalsContact C-N 3.27Å; D491-G493 PolarHBondContact O-N 3.28Å; G493-R495 PolarHBondContact O-N 2.83Å; G493-E496 PolarHBondContact O-N 3.23Å; G493-Y497 WeakPolarHBondContact O-CB 3.35Å; G493-Y497 PolarHBondContact O-N 3.07Å; G493-F514 WeakPolarHBondContact O-CB 3.16Å
494	I	97.8	Very high	96.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-44.3	177.2	-67.5	-49.5	0	0	0	111.7	F326 F389 F407 F490 D491 E496 Y497 L498 L511 I515	F326-I494 HydrophobicContact CD1-CG2 4.16Å; F326-I494 HydrophobicContact CE1-CG2 4.31Å; F389-I494 HydrophobicContact CE1-CG2 4.18Å; F389-I494 HydrophobicContact CZ-CG2 3.53Å; F407-I494 HydrophobicContact CE1-CD1 3.45Å; F407-I494 VanDerWaalsContact CE1-CD1 3.45Å; F407-I494 HydrophobicContact CE1-CG1 4.23Å; F407-I494 HydrophobicContact CZ-CD1 3.62Å; F490-I494 HydrophobicContact CD1-CG1 4.02Å; F490-I494 HydrophobicContact CE1-CD1 4.39Å; F490-I494 HydrophobicContact CE1-CG1 3.73Å; F490-I494 HydrophobicContact CZ-CD1 4.18Å; F490-I494 HydrophobicContact CZ-CG1 4.02Å; F490-I494 WeakPolarHBondContact O-CG1 3.38Å; F490-I494 PolarHBondContact O-N 3.35Å; D491-I494 PolarHBondContact O-N 3.2Å; I494-E496 VanDerWaalsContact C-N 3.32Å; I494-E496 PolarHBondContact O-N 3.26Å; I494-Y497 WeakPolarHBondContact O-CB 3.25Å; I494-Y497 PolarHBondContact O-N 2.62Å; I494-L498 HydrophobicContact CG2-CD1 3.92Å; I494-L498 HydrophobicContact CG2-CG 4.34Å; I494-L498 WeakPolarHBondContact O-CG 3.15Å; I494-L498 PolarHBondContact O-N 3.26Å; I494-L511 HydrophobicContact CD1-CD1 3.6Å; I494-I515 HydrophobicContact CD1-CD1 4.19Å
495	R	98.1	Very high	96.3	Very high	58 Å²	58	48 Å²	48	22%	0.219	24%	0.237	C	C	.	.	H	α-helix	trans	-55.5	-47.6	176.6	-71.3	173.4	-176.9	137.2	10.4	111.6	H325 F326 D327 D491 D492 G493 K499	H325-R495 PolarHBondContact O-NE 3.45Å; H325-R495 PolarHBondContact O-NH2 2.89Å; F326-R495 WeakPolarHBondContact O-CG 3.29Å; D327-R495 HydrophobicContact CB-CG 4.39Å; D491-R495 WeakPolarHBondContact O-CB 3.39Å; D491-R495 WeakPolarHBondContact O-CG 3.25Å; D491-R495 PolarHBondContact O-N 3.45Å; D492-R495 IonicContact OD1-CZ 3.7Å; D492-R495 IonicContact OD1-NH1 2.76Å; D492-R495 PolarHBondContact OD1-NH1 2.84Å; G493-R495 PolarHBondContact O-N 2.83Å; R495-K499 WeakPolarHBondContact O-CB 3.42Å; R495-K499 WeakPolarHBondContact O-CD 3.37Å; R495-K499 WeakPolarHBondContact O-CG 3.28Å; R495-K499 PolarHBondContact O-N 3.36Å
496	E	97.9	Very high	96.5	Very high	100 Å²	100	47.7 Å²	47.7	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-71.7	-37.3	-178.5	-170	64.3	-170.6	0	0	112.3	D492 G493 I494 K499 T500 F514	D492-E496 PolarHBondContact O-N 3.31Å; G493-E496 PolarHBondContact O-N 3.23Å; I494-E496 VanDerWaalsContact C-N 3.32Å; I494-E496 PolarHBondContact O-N 3.26Å; E496-K499 PolarHBondContact O-N 3.11Å; E496-T500 VanDerWaalsContact O-CB 3.27Å; E496-T500 WeakPolarHBondContact O-CB 3.35Å; E496-T500 PolarHBondContact O-N 3.24Å; E496-T500 PolarHBondContact O-OG1 3.2Å; E496-F514 HydrophobicContact CB-CD1 3.87Å; E496-F514 HydrophobicContact CG-CD1 3.51Å; E496-F514 HydrophobicContact CG-CE1 3.78Å
497	Y	98.1	Very high	96.6	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-53.1	172.6	167.3	-99.5	0	0	0	111.3	F389 V393 G493 I494 K499 T500 H501 A506 D510 L511 F514	F389-Y497 HydrophobicContact CE1-CE1 4.4Å; V393-Y497 HydrophobicContact CB-CE1 4.39Å; V393-Y497 HydrophobicContact CG1-CE1 3.87Å; V393-Y497 HydrophobicContact CG1-CE2 4.48Å; V393-Y497 WeakPolarHBondContact CG1-OH 3.46Å; G493-Y497 WeakPolarHBondContact O-CB 3.35Å; G493-Y497 PolarHBondContact O-N 3.07Å; I494-Y497 WeakPolarHBondContact O-CB 3.25Å; I494-Y497 PolarHBondContact O-N 2.62Å; Y497-K499 PolarHBondContact O-N 2.97Å; Y497-T500 PolarHBondContact O-N 2.94Å; Y497-H501 AromaticContact CD2-CD2 3.9Å; Y497-H501 PolarHBondContact O-CD2 3.27Å; Y497-H501 PolarHBondContact O-N 3.26Å; Y497-A506 HydrophobicContact CE2-CB 3.61Å; Y497-A506 VanDerWaalsContact OH-CB 3.3Å; Y497-A506 WeakPolarHBondContact OH-CB 3.14Å; Y497-D510 HydrophobicContact CE2-CB 4.42Å; Y497-L511 HydrophobicContact CD1-CD1 4.24Å; Y497-L511 HydrophobicContact CD2-CB 4.29Å; Y497-L511 HydrophobicContact CD2-CD1 4.17Å; Y497-L511 HydrophobicContact CE1-CD1 4.49Å; Y497-L511 HydrophobicContact CE2-CB 4.05Å; Y497-L511 HydrophobicContact CE2-CD1 4.39Å; Y497-L511 HydrophobicContact CG-CD1 4.07Å; Y497-F514 AromaticContact CD2-CD2 3.83Å; Y497-F514 HydrophobicContact CD2-CD2 3.83Å; Y497-F514 HydrophobicContact CD2-CE2 4.14Å; Y497-F514 HydrophobicContact CG-CD2 4.31Å
498	L	97.9	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-42	180	-71.3	174.9	0	0	0	112.1	F326 L328 W388 F389 V393 I494 R502	F326-L498 HydrophobicContact CB-CD1 4.02Å; F326-L498 HydrophobicContact CD1-CD1 3.84Å; F326-L498 HydrophobicContact CD2-CD1 4.33Å; F326-L498 HydrophobicContact CE1-CD1 4.43Å; F326-L498 HydrophobicContact CG-CD1 3.8Å; L328-L498 HydrophobicContact CD2-CB 3.98Å; W388-L498 HydrophobicContact CB-CD1 4.1Å; W388-L498 HydrophobicContact CB-CD2 4.11Å; W388-L498 HydrophobicContact CG-CD1 4.41Å; F389-L498 HydrophobicContact CD1-CD2 4.05Å; F389-L498 HydrophobicContact CE1-CD1 4.34Å; F389-L498 HydrophobicContact CE1-CD2 3.88Å; F389-L498 HydrophobicContact CE1-CG 4.27Å; F389-L498 HydrophobicContact CE2-CD1 4.28Å; F389-L498 HydrophobicContact CZ-CD1 3.94Å; F389-L498 HydrophobicContact CZ-CD2 4.29Å; F389-L498 HydrophobicContact CZ-CG 4.35Å; V393-L498 HydrophobicContact CB-CD2 4.29Å; V393-L498 HydrophobicContact CG2-CD2 3.84Å; I494-L498 HydrophobicContact CG2-CD1 3.92Å; I494-L498 HydrophobicContact CG2-CG 4.34Å; I494-L498 WeakPolarHBondContact O-CG 3.15Å; I494-L498 PolarHBondContact O-N 3.26Å; L498-R502 WeakPolarHBondContact O-CB 3.38Å; L498-R502 PolarHBondContact O-N 3.17Å
499	K	96.8	Very high	96.9	Very high	79 Å²	79	37.8 Å²	37.8	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-64.7	-40.1	177.3	-74.7	170.7	-175.6	177.8	0	112.3	D327 L328 R495 E496 Y497	D327-K499 WeakPolarHBondContact O-CE 3.43Å; D327-K499 PolarHBondContact O-NZ 3.47Å; D327-K499 IonicContact OD2-NZ 3.25Å; D327-K499 PolarHBondContact OD2-NZ 3.5Å; L328-K499 HydrophobicContact CD1-CG 4.45Å; R495-K499 WeakPolarHBondContact O-CB 3.42Å; R495-K499 WeakPolarHBondContact O-CD 3.37Å; R495-K499 WeakPolarHBondContact O-CG 3.28Å; R495-K499 PolarHBondContact O-N 3.36Å; E496-K499 PolarHBondContact O-N 3.11Å; Y497-K499 PolarHBondContact O-N 2.97Å
500	T	97.5	Very high	96.9	Very high	76 Å²	76	39.2 Å²	39.2	47%	0.466	20%	0.197	S	C	.	.	H	α-helix	trans	-75.2	-42	-176	-58.1	0	0	0	0	112.3	E496 Y497 F514	E496-T500 VanDerWaalsContact O-CB 3.27Å; E496-T500 WeakPolarHBondContact O-CB 3.35Å; E496-T500 PolarHBondContact O-N 3.24Å; E496-T500 PolarHBondContact O-OG1 3.2Å; Y497-T500 PolarHBondContact O-N 2.94Å; T500-F514 HydrophobicContact CG2-CE1 4.22Å; T500-F514 HydrophobicContact CG2-CZ 3.73Å; T500-F514 WeakPolarHBondContact OG1-CE1 3.46Å
501	H	96.8	Very high	96.8	Very high	33 Å²	33	39.1 Å²	39.1	15%	0.153	20%	0.197	C	C	.	.	H	α-helix	trans	-92.8	7	-176.6	-69.7	-91.1	0	0	0	114	V393 Y497 G503 G504 N505 A506 D510 F514	V393-H501 HydrophobicContact CB-CB 4.45Å; V393-H501 HydrophobicContact CG1-CB 3.71Å; V393-H501 HydrophobicContact CG2-CB 3.87Å; Y497-H501 AromaticContact CD2-CD2 3.9Å; Y497-H501 PolarHBondContact O-CD2 3.27Å; Y497-H501 PolarHBondContact O-N 3.26Å; H501-G503 PolarHBondContact O-N 3.14Å; H501-G504 WeakPolarHBondContact O-CA 3.18Å; H501-G504 PolarHBondContact O-N 2.05Å; H501-N505 PolarHBondContact ND1-O 3.28Å; H501-A506 HydrophobicContact CB-CB 4.39Å; H501-D510 IonicContact CE1-OD1 3.52Å; H501-D510 IonicContact CE1-OD2 3.69Å; H501-F514 AromaticContact CD2-CE2 3.7Å; H501-F514 AromaticContact NE2-CE2 3.37Å; H501-F514 WeakPolarHBondContact NE2-CE2 3.13Å; H501-F514 AromaticContact NE2-CZ 3.78Å
502	R	94.4	Very high	96.8	Very high	128 Å²	128	38 Å²	38	48%	0.483	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	122.4	-177.9	-169.5	179.6	-172.3	-158.5	-1.4	112.6	L498 G504	L498-R502 WeakPolarHBondContact O-CB 3.38Å; L498-R502 PolarHBondContact O-N 3.17Å; R502-G504 VanDerWaalsContact C-N 3.26Å
503	G	93	Very high	96.8	Very high	23 Å²	23	39.2 Å²	39.2	24%	0.237	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	9.5	-179.5	0	0	0	0	0	114.1	Q392 H501	Q392-G503 WeakPolarHBondContact O-CA 3.48Å; Q392-G503 PolarHBondContact O-N 3.02Å; H501-G503 PolarHBondContact O-N 3.14Å
504	G	96.3	Very high	96.7	Very high	22 Å²	22	40.6 Å²	40.6	23%	0.227	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-159	178.2	0	0	0	0	0	112.2	K228 T394 H501 R502	K228-G504 WeakPolarHBondContact CE-O 3.44Å; K228-G504 PolarHBondContact NZ-O 2.82Å; T394-G504 PolarHBondContact N-O 3.34Å; H501-G504 WeakPolarHBondContact O-CA 3.18Å; H501-G504 PolarHBondContact O-N 2.05Å; R502-G504 VanDerWaalsContact C-N 3.26Å
505	N	97.8	Very high	96.7	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.144	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155.7	178.6	-59	78.3	0	0	0	110.2	P225 D226 T394 M395 K396 H501	P225-N505 PolarHBondContact O-ND2 3.25Å; D226-N505 WeakPolarHBondContact CA-ND2 3.41Å; D226-N505 HydrophobicContact CB-CB 4.47Å; T394-N505 WeakPolarHBondContact CB-ND2 2.89Å; T394-N505 CarbonylContact O-C 3.58Å; T394-N505 WeakPolarHBondContact O-CA 3.37Å; T394-N505 WeakPolarHBondContact O-CB 3.3Å; T394-N505 PolarHBondContact O-ND2 2.89Å; M395-N505 PolarHBondContact O-ND2 3.42Å; K396-N505 HydrophobicContact CG-CB 3.9Å; H501-N505 PolarHBondContact ND1-O 3.28Å
506	A	97.3	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160	179	0	0	0	0	0	110.8	V393 T394 M395 K396 Y497 H501 D510	V393-A506 HydrophobicContact CG1-CB 3.82Å; T394-A506 PolarHBondContact O-N 3.41Å; M395-A506 CarbonylContact C-O 3.48Å; M395-A506 WeakPolarHBondContact CA-O 3.41Å; K396-A506 PolarHBondContact N-O 2.84Å; K396-A506 VanDerWaalsContact N-O 3.12Å; Y497-A506 HydrophobicContact CE2-CB 3.61Å; Y497-A506 VanDerWaalsContact OH-CB 3.3Å; Y497-A506 WeakPolarHBondContact OH-CB 3.14Å; H501-A506 HydrophobicContact CB-CB 4.39Å; A506-D510 WeakPolarHBondContact CA-OD2 3.27Å; A506-D510 HydrophobicContact CB-CB 4.09Å
507	D	96.6	Very high	96.4	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.144	20%	0.195	C	C	.	.			trans	-114.8	-179.9	166.8	53.4	33.6	0	0	0	110.8	K396 E400 E509 D510 L511	K396-D507 HydrophobicContact CD-CB 4.15Å; K396-D507 VanDerWaalsContact NZ-CG 3.27Å; K396-D507 IonicContact NZ-OD1 2.64Å; K396-D507 IonicContact NZ-OD2 2.89Å; K396-D507 PolarHBondContact NZ-OD2 3.41Å; E400-D507 WeakPolarHBondContact OE2-CA 3.47Å; E400-D507 WeakPolarHBondContact OE2-CB 3.42Å; D507-E509 PolarHBondContact O-N 2.98Å; D507-E509 WeakPolarHBondContact OD1-CB 3.5Å; D507-E509 PolarHBondContact OD1-N 3.19Å; D507-D510 PolarHBondContact N-OD2 3.37Å; D507-D510 WeakPolarHBondContact O-CB 3.43Å; D507-D510 PolarHBondContact O-N 2.91Å; D507-D510 PolarHBondContact OD1-N 2.93Å; D507-L511 PolarHBondContact O-N 3.41Å
508	Q	96.4	Very high	96.3	Very high	10 Å²	10	39 Å²	39	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-28.8	178.5	69	175	-36.3	0	0	112.8	E400 W402 L403 S450 L511 W512 T535	E400-Q508 VanDerWaalsContact OE1-CG 3.3Å; E400-Q508 WeakPolarHBondContact OE1-CG 3.36Å; E400-Q508 PolarHBondContact OE1-NE2 3.13Å; E400-Q508 PolarHBondContact OE2-N 2.91Å; W402-Q508 HydrophobicContact CZ2-CB 3.9Å; L403-Q508 HydrophobicContact CD2-CB 4.39Å; S450-Q508 VanDerWaalsContact CB-NE2 3.33Å; S450-Q508 PolarHBondContact OG-NE2 3.49Å; Q508-L511 WeakPolarHBondContact O-CB 3.33Å; Q508-L511 PolarHBondContact O-N 2.98Å; Q508-W512 HydrophobicContact CB-CZ2 4.19Å; Q508-W512 PolarHBondContact O-N 3.18Å; Q508-W512 PolarHBondContact O-NE1 3.1Å; Q508-T535 VanDerWaalsContact OE1-CB 3.23Å; Q508-T535 PolarHBondContact OE1-OG1 3.14Å
509	E	96	Very high	95.8	Very high	110 Å²	110	41.8 Å²	41.8	51%	0.514	22%	0.22	S	C	.	.	H	α-helix	trans	-69.3	-41.5	-177.8	-63.3	158.8	-179.7	0	0	109.9	D507 L511 W512 V513	D507-E509 PolarHBondContact O-N 2.98Å; D507-E509 WeakPolarHBondContact OD1-CB 3.5Å; D507-E509 PolarHBondContact OD1-N 3.19Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.99Å; E509-W512 PolarHBondContact O-N 3.03Å; E509-V513 WeakPolarHBondContact O-CG2 2.88Å; E509-V513 PolarHBondContact O-N 2.94Å
510	D	96.6	Very high	95.2	Very high	43 Å²	43	42 Å²	42	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-54.6	-49.2	169.8	-68.2	-46.1	0	0	0	110.4	K396 Y497 H501 A506 D507 W512 V513 F514	K396-D510 IonicContact NZ-OD2 3.46Å; K396-D510 PolarHBondContact NZ-OD2 3.29Å; Y497-D510 HydrophobicContact CE2-CB 4.42Å; H501-D510 IonicContact CE1-OD1 3.52Å; H501-D510 IonicContact CE1-OD2 3.69Å; A506-D510 WeakPolarHBondContact CA-OD2 3.27Å; A506-D510 HydrophobicContact CB-CB 4.09Å; D507-D510 PolarHBondContact N-OD2 3.37Å; D507-D510 WeakPolarHBondContact O-CB 3.43Å; D507-D510 PolarHBondContact O-N 2.91Å; D507-D510 PolarHBondContact OD1-N 2.93Å; D510-W512 PolarHBondContact O-N 3.02Å; D510-V513 PolarHBondContact O-N 3.43Å; D510-F514 WeakPolarHBondContact O-CD2 3.11Å; D510-F514 WeakPolarHBondContact O-CE2 3.27Å
511	L	96.8	Very high	94.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-47.1	-179.9	175.7	65.9	0	0	0	113.2	W402 L403 F407 I494 Y497 D507 Q508 E509 V513 F514 I515	W402-L511 HydrophobicContact CH2-CD2 4.47Å; L403-L511 HydrophobicContact CD2-CD2 3.98Å; F407-L511 HydrophobicContact CE2-CD2 3.59Å; F407-L511 HydrophobicContact CZ-CD1 3.99Å; F407-L511 HydrophobicContact CZ-CD2 3.67Å; F407-L511 HydrophobicContact CZ-CG 4.48Å; I494-L511 HydrophobicContact CD1-CD1 3.6Å; Y497-L511 HydrophobicContact CD1-CD1 4.24Å; Y497-L511 HydrophobicContact CD2-CB 4.29Å; Y497-L511 HydrophobicContact CD2-CD1 4.17Å; Y497-L511 HydrophobicContact CE1-CD1 4.49Å; Y497-L511 HydrophobicContact CE2-CB 4.05Å; Y497-L511 HydrophobicContact CE2-CD1 4.39Å; Y497-L511 HydrophobicContact CG-CD1 4.07Å; D507-L511 PolarHBondContact O-N 3.41Å; Q508-L511 WeakPolarHBondContact O-CB 3.33Å; Q508-L511 PolarHBondContact O-N 2.98Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.99Å; L511-V513 PolarHBondContact O-N 3.15Å; L511-F514 PolarHBondContact O-N 3.27Å; L511-I515 HydrophobicContact CD1-CD1 3.92Å; L511-I515 HydrophobicContact CD1-CG1 4.33Å; L511-I515 HydrophobicContact CG-CD1 4.06Å; L511-I515 PolarHBondContact O-N 2.64Å
512	W	96.8	Very high	93.6	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-34.1	-177.7	-57.3	146.1	0	0	0	113	W402 L481 Q508 E509 D510 F514 I515 Q516 V527 Q528 M531 T535	W402-W512 AromaticContact CH2-CH2 3.67Å; W402-W512 HydrophobicContact CH2-CH2 3.67Å; W402-W512 AromaticContact CH2-CZ2 3.91Å; W402-W512 HydrophobicContact CH2-CZ2 3.91Å; W402-W512 HydrophobicContact CZ2-CH2 4.38Å; W402-W512 HydrophobicContact CZ2-CZ2 4.17Å; L481-W512 HydrophobicContact CD2-CE3 4.11Å; L481-W512 HydrophobicContact CD2-CH2 4.16Å; L481-W512 HydrophobicContact CD2-CZ3 3.38Å; Q508-W512 HydrophobicContact CB-CZ2 4.19Å; Q508-W512 PolarHBondContact O-N 3.18Å; Q508-W512 PolarHBondContact O-NE1 3.1Å; E509-W512 PolarHBondContact O-N 3.03Å; D510-W512 PolarHBondContact O-N 3.02Å; W512-F514 PolarHBondContact O-N 2.96Å; W512-I515 HydrophobicContact CE3-CD1 4.35Å; W512-I515 HydrophobicContact CZ3-CD1 4.33Å; W512-Q516 WeakPolarHBondContact O-CB 3.36Å; W512-Q516 PolarHBondContact O-N 2.97Å; W512-V527 HydrophobicContact CB-CG1 4.13Å; W512-V527 HydrophobicContact CD2-CG1 4.05Å; W512-V527 HydrophobicContact CE3-CG1 3.6Å; W512-V527 HydrophobicContact CG-CG1 4.3Å; W512-V527 HydrophobicContact CZ3-CG1 4.39Å; W512-Q528 HydrophobicContact CB-CB 4.15Å; W512-Q528 HydrophobicContact CG-CB 4.38Å; W512-M531 HydrophobicContact CD2-CB 4.25Å; W512-M531 HydrophobicContact CD2-CG 4.32Å; W512-M531 HydrophobicContact CE3-CG 4.19Å; W512-M531 HydrophobicContact CH2-CB 3.98Å; W512-M531 HydrophobicContact CH2-CE 3.74Å; W512-M531 HydrophobicContact CH2-CG 3.84Å; W512-M531 HydrophobicContact CZ2-CB 3.59Å; W512-M531 HydrophobicContact CZ2-CE 4.3Å; W512-M531 HydrophobicContact CZ2-CG 3.98Å; W512-M531 HydrophobicContact CZ3-CB 4.48Å; W512-M531 HydrophobicContact CZ3-CE 4.37Å; W512-M531 HydrophobicContact CZ3-CG 3.98Å; W512-T535 HydrophobicContact CZ2-CG2 4.01Å
513	V	96.3	Very high	93	Very high	78 Å²	78	47.3 Å²	47.3	47%	0.473	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-44.8	177.7	171.6	0	0	0	0	111.1	E509 D510 L511 N517	E509-V513 WeakPolarHBondContact O-CG2 2.88Å; E509-V513 PolarHBondContact O-N 2.94Å; D510-V513 PolarHBondContact O-N 3.43Å; L511-V513 PolarHBondContact O-N 3.15Å; V513-N517 WeakPolarHBondContact O-CB 3.42Å; V513-N517 PolarHBondContact O-N 3.4Å; V513-N517 VanDerWaalsContact O-N 3.08Å; V513-N517 PolarHBondContact O-ND2 3.24Å; V513-N517 VanDerWaalsContact O-ND2 3.11Å; V513-N517 PolarHBondContact O-OD1 3.32Å
514	F	96.7	Very high	92.5	Very high	28 Å²	28	52.5 Å²	52.5	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-70.5	-44.6	-177	-66.4	-79.9	0	0	0	112.6	G493 E496 Y497 T500 H501 D510 L511 W512 Q516 N517 A518	G493-F514 WeakPolarHBondContact O-CB 3.16Å; E496-F514 HydrophobicContact CB-CD1 3.87Å; E496-F514 HydrophobicContact CG-CD1 3.51Å; E496-F514 HydrophobicContact CG-CE1 3.78Å; Y497-F514 AromaticContact CD2-CD2 3.83Å; Y497-F514 HydrophobicContact CD2-CD2 3.83Å; Y497-F514 HydrophobicContact CD2-CE2 4.14Å; Y497-F514 HydrophobicContact CG-CD2 4.31Å; T500-F514 HydrophobicContact CG2-CE1 4.22Å; T500-F514 HydrophobicContact CG2-CZ 3.73Å; T500-F514 WeakPolarHBondContact OG1-CE1 3.46Å; H501-F514 AromaticContact CD2-CE2 3.7Å; H501-F514 AromaticContact NE2-CE2 3.37Å; H501-F514 WeakPolarHBondContact NE2-CE2 3.13Å; H501-F514 AromaticContact NE2-CZ 3.78Å; D510-F514 WeakPolarHBondContact O-CD2 3.11Å; D510-F514 WeakPolarHBondContact O-CE2 3.27Å; L511-F514 PolarHBondContact O-N 3.27Å; W512-F514 PolarHBondContact O-N 2.96Å; F514-Q516 VanDerWaalsContact C-N 3.32Å; F514-Q516 PolarHBondContact O-N 2.94Å; F514-N517 WeakPolarHBondContact O-CB 3.34Å; F514-N517 PolarHBondContact O-N 3.4Å; F514-A518 PolarHBondContact O-N 3.12Å; F514-A518 VanDerWaalsContact O-N 3.1Å
515	I	97.1	Very high	92.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-40.6	177.6	-59.4	177.1	0	0	0	110.6	L481 V485 F490 I494 L511 W512 N517 A518 R519 V527	L481-I515 HydrophobicContact CD2-CD1 3.78Å; V485-I515 HydrophobicContact CB-CG2 4.34Å; V485-I515 HydrophobicContact CG1-CG2 4Å; V485-I515 HydrophobicContact CG2-CG2 4.01Å; F490-I515 HydrophobicContact CD2-CD1 4.12Å; F490-I515 HydrophobicContact CE2-CD1 4.08Å; I494-I515 HydrophobicContact CD1-CD1 4.19Å; L511-I515 HydrophobicContact CD1-CD1 3.92Å; L511-I515 HydrophobicContact CD1-CG1 4.33Å; L511-I515 HydrophobicContact CG-CD1 4.06Å; L511-I515 PolarHBondContact O-N 2.64Å; W512-I515 HydrophobicContact CE3-CD1 4.35Å; W512-I515 HydrophobicContact CZ3-CD1 4.33Å; I515-N517 VanDerWaalsContact C-N 3.31Å; I515-N517 PolarHBondContact O-N 3.44Å; I515-A518 PolarHBondContact O-N 3.29Å; I515-R519 PolarHBondContact O-N 2.87Å; I515-R519 VanDerWaalsContact O-N 3.1Å; I515-V527 HydrophobicContact CB-CG1 4.35Å; I515-V527 HydrophobicContact CB-CG2 4.4Å; I515-V527 HydrophobicContact CG2-CG1 4.34Å; I515-V527 HydrophobicContact CG2-CG2 3.95Å
516	Q	95.8	Very high	91.9	Very high	18 Å²	18	52.4 Å²	52.4	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-39.7	176.3	-178.7	59.5	73.1	0	0	112.3	W512 F514 N520 V527	W512-Q516 WeakPolarHBondContact O-CB 3.36Å; W512-Q516 PolarHBondContact O-N 2.97Å; F514-Q516 VanDerWaalsContact C-N 3.32Å; F514-Q516 PolarHBondContact O-N 2.94Å; Q516-N520 PolarHBondContact NE2-O 3.5Å; Q516-N520 CarbonylContact O-C 3.5Å; Q516-N520 PolarHBondContact O-N 3.05Å; Q516-V527 HydrophobicContact CB-CB 4.25Å; Q516-V527 HydrophobicContact CB-CG2 4.05Å
517	N	94.4	Very high	91.8	Very high	74 Å²	74	52.4 Å²	52.4	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-65.7	-39.1	178.5	-70.3	-23.5	0	0	0	112	V513 F514 I515 K521	V513-N517 WeakPolarHBondContact O-CB 3.42Å; V513-N517 PolarHBondContact O-N 3.4Å; V513-N517 VanDerWaalsContact O-N 3.08Å; V513-N517 PolarHBondContact O-ND2 3.24Å; V513-N517 VanDerWaalsContact O-ND2 3.11Å; V513-N517 PolarHBondContact O-OD1 3.32Å; F514-N517 WeakPolarHBondContact O-CB 3.34Å; F514-N517 PolarHBondContact O-N 3.4Å; I515-N517 VanDerWaalsContact C-N 3.31Å; I515-N517 PolarHBondContact O-N 3.44Å; N517-K521 WeakPolarHBondContact OD1-CE 3.44Å
518	A	94.3	Very high	91.7	Very high	39 Å²	39	55.5 Å²	55.5	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-71.4	-34.7	179.8	0	0	0	0	0	113.3	A489 D492 F514 I515	A489-A518 HydrophobicContact CB-CB 4.49Å; A489-A518 WeakPolarHBondContact O-CB 3.36Å; D492-A518 HydrophobicContact CB-CB 3.96Å; F514-A518 PolarHBondContact O-N 3.12Å; F514-A518 VanDerWaalsContact O-N 3.1Å; I515-A518 PolarHBondContact O-N 3.29Å
519	R	88.2	Confident	91.6	Very high	58 Å²	58	58.3 Å²	58.3	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-74.4	-49.2	-179.8	-177.7	-177.5	173.2	-136.9	-1.2	113.8	Y484 V485 A489 I515 P525	Y484-R519 VanDerWaalsContact OH-CZ 3.25Å; Y484-R519 PolarHBondContact OH-NH1 2.98Å; Y484-R519 PolarHBondContact OH-NH2 3.38Å; V485-R519 HydrophobicContact CB-CG 4.36Å; A489-R519 HydrophobicContact CB-CB 4.03Å; I515-R519 PolarHBondContact O-N 2.87Å; I515-R519 VanDerWaalsContact O-N 3.1Å; R519-P525 PolarHBondContact NH1-O 2.77Å
520	N	84.4	Confident	91.5	Very high	82 Å²	82	53.1 Å²	53.1	44%	0.439	27%	0.266	S	S	.	.			trans	146.5	121.3	177.8	174.3	-5.2	0	0	0	107.5	Q516 E522 S523	Q516-N520 PolarHBondContact NE2-O 3.5Å; Q516-N520 CarbonylContact O-C 3.5Å; Q516-N520 PolarHBondContact O-N 3.05Å; N520-E522 PolarHBondContact O-N 2.93Å; N520-E522 VanDerWaalsContact O-N 3.08Å; N520-E522 PolarHBondContact OD1-N 3.32Å; N520-S523 WeakPolarHBondContact O-CB 3.08Å; N520-S523 PolarHBondContact O-N 2.52Å; N520-S523 VanDerWaalsContact O-N 3.12Å
521	K	78.2	Confident	91.5	Very high	148 Å²	148	51 Å²	51	64%	0.643	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.7	-176.8	-69.6	-178.4	172.1	178.8	0	115.2	N517	N517-K521 WeakPolarHBondContact OD1-CE 3.44Å
522	E	81.4	Confident	91.5	Very high	170 Å²	170	54.5 Å²	54.5	79%	0.794	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-10.9	-177.3	-62.5	-176.2	175.3	0	0	113.5	N520 K524	N520-E522 PolarHBondContact O-N 2.93Å; N520-E522 VanDerWaalsContact O-N 3.08Å; N520-E522 PolarHBondContact OD1-N 3.32Å; E522-K524 PolarHBondContact O-N 2.89Å
523	S	82.3	Confident	91.4	Very high	32 Å²	32	56.4 Å²	56.4	22%	0.224	28%	0.282	C	S	.	.			trans	-66.4	132.6	-179.4	-65.3	0	0	0	0	111.8	N520	N520-S523 WeakPolarHBondContact O-CB 3.08Å; N520-S523 PolarHBondContact O-N 2.52Å; N520-S523 VanDerWaalsContact O-N 3.12Å
524	K	82.8	Confident	91.4	Very high	132 Å²	132	52.7 Å²	52.7	57%	0.574	26%	0.259	S	S	*	.	S	Bend	trans	-119.3	146.2	177.2	-69.6	-62.5	-166	173.2	0	111.5	E522 T526 E529	E522-K524 PolarHBondContact O-N 2.89Å; K524-T526 HydrophobicContact CD-CG2 3.84Å; K524-T526 VanDerWaalsContact NZ-CG2 3.3Å; K524-E529 IonicContact NZ-OE1 3.71Å; K524-E529 PolarHBondContact NZ-OE1 2.71Å; K524-E529 IonicContact NZ-OE2 3.96Å
525	P	88.2	Confident	91.5	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.143	25%	0.254	C	S	.	.	S	Bend	cis	-61.1	150.4	-11.1	26.7	-33	0	0	0	111.6	Y484 R519 E529 F530 K570 W586	Y484-P525 WeakPolarHBondContact OH-CD 3.34Å; Y484-P525 WeakPolarHBondContact OH-CG 3.4Å; Y484-P525 PolarHBondContact OH-O 2.83Å; R519-P525 PolarHBondContact NH1-O 2.77Å; P525-E529 WeakPolarHBondContact CA-OE2 3.47Å; P525-E529 HydrophobicContact CB-CB 4.11Å; P525-F530 HydrophobicContact CG-CB 4.48Å; P525-K570 HydrophobicContact CB-CD 4.41Å; P525-W586 HydrophobicContact CG-CD2 4.22Å; P525-W586 HydrophobicContact CG-CE3 4.22Å; P525-W586 HydrophobicContact CG-CH2 4.18Å; P525-W586 HydrophobicContact CG-CZ2 4.22Å; P525-W586 HydrophobicContact CG-CZ3 4.16Å
526	T	93.2	Very high	91.5	Very high	24 Å²	24	53.8 Å²	53.8	15%	0.147	27%	0.268	C	S	.	.			trans	-63.6	161.5	174	66.7	0	0	0	0	110.2	K524 Q528 E529 F530	K524-T526 HydrophobicContact CD-CG2 3.84Å; K524-T526 VanDerWaalsContact NZ-CG2 3.3Å; T526-Q528 VanDerWaalsContact C-N 3.33Å; T526-Q528 PolarHBondContact O-N 3.42Å; T526-E529 PolarHBondContact N-OE2 3.22Å; T526-E529 PolarHBondContact O-N 3.3Å; T526-E529 VanDerWaalsContact OG1-CB 3.22Å; T526-E529 WeakPolarHBondContact OG1-CB 3.38Å; T526-E529 WeakPolarHBondContact OG1-CG 3.49Å; T526-E529 PolarHBondContact OG1-N 2.96Å; T526-F530 WeakPolarHBondContact O-CB 3.29Å; T526-F530 PolarHBondContact O-N 3.37Å
527	V	95.6	Very high	91.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-49.8	175.7	174.8	0	0	0	0	110	L481 V485 W512 I515 Q516 E529 F530 M531	L481-V527 HydrophobicContact CD1-CG1 3.98Å; L481-V527 HydrophobicContact CD2-CG1 4.36Å; V485-V527 HydrophobicContact CG1-CG2 4.07Å; W512-V527 HydrophobicContact CB-CG1 4.13Å; W512-V527 HydrophobicContact CD2-CG1 4.05Å; W512-V527 HydrophobicContact CE3-CG1 3.6Å; W512-V527 HydrophobicContact CG-CG1 4.3Å; W512-V527 HydrophobicContact CZ3-CG1 4.39Å; I515-V527 HydrophobicContact CB-CG1 4.35Å; I515-V527 HydrophobicContact CB-CG2 4.4Å; I515-V527 HydrophobicContact CG2-CG1 4.34Å; I515-V527 HydrophobicContact CG2-CG2 3.95Å; Q516-V527 HydrophobicContact CB-CB 4.25Å; Q516-V527 HydrophobicContact CB-CG2 4.05Å; V527-E529 PolarHBondContact O-N 2.71Å; V527-F530 WeakPolarHBondContact O-CB 3.31Å; V527-F530 PolarHBondContact O-N 2.78Å; V527-F530 VanDerWaalsContact O-N 3.17Å; V527-M531 HydrophobicContact CG1-CG 4.1Å; V527-M531 WeakPolarHBondContact O-CB 3.35Å; V527-M531 VanDerWaalsContact O-CG 3.25Å; V527-M531 WeakPolarHBondContact O-CG 3.41Å; V527-M531 PolarHBondContact O-N 3.49Å
528	Q	95	Very high	91.4	Very high	92 Å²	92	52.8 Å²	52.8	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-48.1	175.1	-175.2	177.9	5.6	0	0	112.1	W512 T526 F530 M531 E532	W512-Q528 HydrophobicContact CB-CB 4.15Å; W512-Q528 HydrophobicContact CG-CB 4.38Å; T526-Q528 VanDerWaalsContact C-N 3.33Å; T526-Q528 PolarHBondContact O-N 3.42Å; Q528-F530 PolarHBondContact O-N 2.98Å; Q528-M531 PolarHBondContact O-N 3.33Å; Q528-E532 WeakPolarHBondContact O-CB 3.37Å; Q528-E532 PolarHBondContact O-N 2.88Å
529	E	93.6	Very high	91.5	Very high	70 Å²	70	50.9 Å²	50.9	33%	0.327	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-31.7	178.5	-84	169.6	-173.2	0	0	113.1	K524 P525 T526 V527 K570	K524-E529 IonicContact NZ-OE1 3.71Å; K524-E529 PolarHBondContact NZ-OE1 2.71Å; K524-E529 IonicContact NZ-OE2 3.96Å; P525-E529 WeakPolarHBondContact CA-OE2 3.47Å; P525-E529 HydrophobicContact CB-CB 4.11Å; T526-E529 PolarHBondContact N-OE2 3.22Å; T526-E529 PolarHBondContact O-N 3.3Å; T526-E529 VanDerWaalsContact OG1-CB 3.22Å; T526-E529 WeakPolarHBondContact OG1-CB 3.38Å; T526-E529 WeakPolarHBondContact OG1-CG 3.49Å; T526-E529 PolarHBondContact OG1-N 2.96Å; V527-E529 PolarHBondContact O-N 2.71Å; E529-K570 VanDerWaalsContact O-CD 3.31Å; E529-K570 WeakPolarHBondContact O-CD 3.16Å; E529-K570 WeakPolarHBondContact O-CE 3.23Å; E529-K570 PolarHBondContact O-NZ 3.13Å
530	F	94.1	Very high	92	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-75.7	-51.1	176.2	169.7	-139.1	0	0	0	110.6	M480 L481 Y484 P525 T526 V527 Q528 W534 K570 P572 W586	M480-F530 HydrophobicContact CE-CE2 4.27Å; M480-F530 HydrophobicContact CE-CZ 3.86Å; M480-F530 HydrophobicContact CG-CZ 4.09Å; M480-F530 HydrophobicContact SD-CZ 4.17Å; L481-F530 HydrophobicContact CD1-CD1 3.99Å; L481-F530 HydrophobicContact CD1-CE1 4.04Å; Y484-F530 AromaticContact CD1-CD1 3.24Å; Y484-F530 HydrophobicContact CD1-CD1 3.24Å; Y484-F530 AromaticContact CD1-CE1 3.42Å; Y484-F530 HydrophobicContact CD1-CE1 3.42Å; Y484-F530 VanDerWaalsContact CD1-CE1 3.42Å; Y484-F530 HydrophobicContact CD1-CG 4.15Å; Y484-F530 HydrophobicContact CD1-CZ 4.45Å; Y484-F530 HydrophobicContact CE1-CB 4.19Å; Y484-F530 AromaticContact CE1-CD1 3.52Å; Y484-F530 HydrophobicContact CE1-CD1 3.52Å; Y484-F530 HydrophobicContact CE1-CE1 4.15Å; Y484-F530 HydrophobicContact CE1-CG 4.04Å; Y484-F530 HydrophobicContact CG-CD1 4.1Å; Y484-F530 AromaticContact CG-CE1 3.86Å; Y484-F530 HydrophobicContact CG-CE1 3.86Å; P525-F530 HydrophobicContact CG-CB 4.48Å; T526-F530 WeakPolarHBondContact O-CB 3.29Å; T526-F530 PolarHBondContact O-N 3.37Å; V527-F530 WeakPolarHBondContact O-CB 3.31Å; V527-F530 PolarHBondContact O-N 2.78Å; V527-F530 VanDerWaalsContact O-N 3.17Å; Q528-F530 PolarHBondContact O-N 2.98Å; F530-W534 AromaticContact CD2-NE1 3.7Å; F530-W534 AromaticContact CE2-CD1 3.85Å; F530-W534 AromaticContact CE2-NE1 3.29Å; F530-W534 VanDerWaalsContact CE2-NE1 3.29Å; F530-K570 HydrophobicContact CD2-CB 4.48Å; F530-K570 WeakPolarHBondContact CD2-O 3.33Å; F530-K570 WeakPolarHBondContact CE2-O 3.36Å; F530-P572 HydrophobicContact CE2-CG 4.18Å; F530-P572 HydrophobicContact CZ-CG 4.03Å; F530-W586 HydrophobicContact CD1-CH2 4.47Å; F530-W586 AromaticContact CD2-CH2 3.6Å; F530-W586 HydrophobicContact CD2-CH2 3.6Å; F530-W586 AromaticContact CD2-CZ3 3.64Å; F530-W586 HydrophobicContact CD2-CZ3 3.64Å; F530-W586 AromaticContact CE2-CH2 3.72Å; F530-W586 HydrophobicContact CE2-CH2 3.72Å; F530-W586 AromaticContact CE2-CZ3 3.86Å; F530-W586 HydrophobicContact CE2-CZ3 3.86Å; F530-W586 HydrophobicContact CG-CH2 4.01Å; F530-W586 HydrophobicContact CG-CZ3 4.39Å; F530-W586 HydrophobicContact CZ-CH2 4.19Å
531	M	97.2	Very high	92.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-78.1	-24.7	-169.9	-62.2	-52.3	-70.2	0	0	114.7	V477 L481 W512 V527 Q528 N533 W534 T535	V477-M531 HydrophobicContact CG1-CE 3.14Å; L481-M531 HydrophobicContact CB-CE 4.09Å; L481-M531 HydrophobicContact CB-SD 3.96Å; L481-M531 HydrophobicContact CD1-CG 4.09Å; L481-M531 HydrophobicContact CD1-SD 3.79Å; L481-M531 HydrophobicContact CD2-CE 4.12Å; L481-M531 HydrophobicContact CD2-CG 4.21Å; L481-M531 HydrophobicContact CD2-SD 4.13Å; L481-M531 HydrophobicContact CG-SD 4.17Å; W512-M531 HydrophobicContact CD2-CB 4.25Å; W512-M531 HydrophobicContact CD2-CG 4.32Å; W512-M531 HydrophobicContact CE3-CG 4.19Å; W512-M531 HydrophobicContact CH2-CB 3.98Å; W512-M531 HydrophobicContact CH2-CE 3.74Å; W512-M531 HydrophobicContact CH2-CG 3.84Å; W512-M531 HydrophobicContact CZ2-CB 3.59Å; W512-M531 HydrophobicContact CZ2-CE 4.3Å; W512-M531 HydrophobicContact CZ2-CG 3.98Å; W512-M531 HydrophobicContact CZ3-CB 4.48Å; W512-M531 HydrophobicContact CZ3-CE 4.37Å; W512-M531 HydrophobicContact CZ3-CG 3.98Å; V527-M531 HydrophobicContact CG1-CG 4.1Å; V527-M531 WeakPolarHBondContact O-CB 3.35Å; V527-M531 VanDerWaalsContact O-CG 3.25Å; V527-M531 WeakPolarHBondContact O-CG 3.41Å; V527-M531 PolarHBondContact O-N 3.49Å; Q528-M531 PolarHBondContact O-N 3.33Å; M531-N533 VanDerWaalsContact C-N 3.34Å; M531-N533 PolarHBondContact O-N 2.87Å; M531-W534 WeakPolarHBondContact O-CA 3.5Å; M531-W534 WeakPolarHBondContact O-CB 3.46Å; M531-W534 PolarHBondContact O-N 2.92Å; M531-T535 PolarHBondContact O-N 2.61Å; M531-T535 VanDerWaalsContact O-N 3.11Å; M531-T535 PolarHBondContact O-OG1 2.89Å
532	E	95.1	Very high	93.5	Very high	73 Å²	73	37.2 Å²	37.2	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-43.1	-57.5	-177.8	-173.1	72.4	-156.6	0	0	112.3	Q528 W534 T535 T536	Q528-E532 WeakPolarHBondContact O-CB 3.37Å; Q528-E532 PolarHBondContact O-N 2.88Å; E532-W534 PolarHBondContact O-N 3.18Å; E532-T535 PolarHBondContact O-N 3.1Å; E532-T535 PolarHBondContact O-OG1 3.28Å; E532-T536 PolarHBondContact O-N 3.01Å; E532-T536 PolarHBondContact O-OG1 3.13Å
533	N	94.7	Very high	94.4	Very high	45 Å²	45	29.1 Å²	29.1	24%	0.241	15%	0.147	C	C	.	.	H	α-helix	trans	-77.3	-8	-175.7	-63.7	18.2	0	0	0	113.4	M531 Q537 L568 W569	M531-N533 VanDerWaalsContact C-N 3.34Å; M531-N533 PolarHBondContact O-N 2.87Å; N533-Q537 HydrophobicContact CB-CG 4.42Å; N533-Q537 VanDerWaalsContact O-CD 3.27Å; N533-Q537 WeakPolarHBondContact O-CG 3.27Å; N533-L568 PolarHBondContact ND2-O 2.7Å; N533-W569 PolarHBondContact O-NE1 3.24Å
534	W	97.9	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-89	-24.5	173.6	-63.2	106.1	0	0	0	111.8	V477 M480 F530 M531 E532 P541 W569 K570 I571 Y615	V477-W534 HydrophobicContact CG1-CB 4.04Å; V477-W534 HydrophobicContact CG2-CB 4.48Å; M480-W534 HydrophobicContact CE-CD2 3.55Å; M480-W534 HydrophobicContact CE-CE3 3.98Å; M480-W534 HydrophobicContact CE-CG 3.86Å; M480-W534 HydrophobicContact CE-CH2 4.32Å; M480-W534 HydrophobicContact CE-CZ2 3.94Å; M480-W534 HydrophobicContact CE-CZ3 4.35Å; M480-W534 HydrophobicContact SD-CH2 4.33Å; M480-W534 HydrophobicContact SD-CZ2 4.08Å; F530-W534 AromaticContact CD2-NE1 3.7Å; F530-W534 AromaticContact CE2-CD1 3.85Å; F530-W534 AromaticContact CE2-NE1 3.29Å; F530-W534 VanDerWaalsContact CE2-NE1 3.29Å; M531-W534 WeakPolarHBondContact O-CA 3.5Å; M531-W534 WeakPolarHBondContact O-CB 3.46Å; M531-W534 PolarHBondContact O-N 2.92Å; E532-W534 PolarHBondContact O-N 3.18Å; W534-P541 HydrophobicContact CH2-CG 3.95Å; W534-P541 HydrophobicContact CZ3-CG 4.41Å; W534-W569 AromaticContact CD2-CD1 3.62Å; W534-W569 AromaticContact CE2-CD1 3.87Å; W534-W569 AromaticContact CE3-CD1 3.53Å; W534-W569 HydrophobicContact CE3-CG 4.47Å; W534-W569 AromaticContact CE3-NE1 3.95Å; W534-W569 HydrophobicContact CH2-CB 4.2Å; W534-W569 HydrophobicContact CH2-CG 4.21Å; W534-W569 HydrophobicContact CZ2-CB 3.91Å; W534-W569 HydrophobicContact CZ2-CG 4.27Å; W534-W569 AromaticContact CZ3-CD1 3.71Å; W534-W569 HydrophobicContact CZ3-CG 4.29Å; W534-K570 PolarHBondContact NE1-O 3.02Å; W534-K570 VanDerWaalsContact NE1-O 3.12Å; W534-I571 HydrophobicContact CH2-CG1 4.45Å; W534-I571 HydrophobicContact CZ2-CG1 4.14Å; W534-Y615 HydrophobicContact CE3-CD1 4.19Å; W534-Y615 AromaticContact CZ3-CD1 3.98Å; W534-Y615 HydrophobicContact CZ3-CD1 3.98Å; W534-Y615 WeakPolarHBondContact CZ3-O 3.41Å
535	T	98.1	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-107.7	-33.5	-176.1	61.2	0	0	0	0	114.3	W402 P448 L449 S450 Q508 W512 M531 E532	W402-T535 HydrophobicContact CH2-CG2 4.23Å; W402-T535 HydrophobicContact CZ2-CG2 3.93Å; P448-T535 WeakPolarHBondContact CB-O 3.33Å; L449-T535 HydrophobicContact CD1-CG2 4.05Å; L449-T535 PolarHBondContact N-O 3.09Å; L449-T535 VanDerWaalsContact N-O 3.11Å; S450-T535 PolarHBondContact N-O 3.03Å; Q508-T535 VanDerWaalsContact OE1-CB 3.23Å; Q508-T535 PolarHBondContact OE1-OG1 3.14Å; W512-T535 HydrophobicContact CZ2-CG2 4.01Å; M531-T535 PolarHBondContact O-N 2.61Å; M531-T535 VanDerWaalsContact O-N 3.11Å; M531-T535 PolarHBondContact O-OG1 2.89Å; E532-T535 PolarHBondContact O-N 3.1Å; E532-T535 PolarHBondContact O-OG1 3.28Å
536	T	96.6	Very high	96.3	Very high	51 Å²	51	24.4 Å²	24.4	31%	0.313	13%	0.125	S	C	.	.	S	Bend	trans	-97.4	-2.6	-171.3	67.2	0	0	0	0	115	E532	E532-T536 PolarHBondContact O-N 3.01Å; E532-T536 PolarHBondContact O-OG1 3.13Å
537	Q	95.2	Very high	96.5	Very high	28 Å²	28	23.3 Å²	23.3	13%	0.131	12%	0.119	C	C	.	.	S	Bend	trans	-128.8	155.7	174.8	58.2	179.9	69.1	0	0	111.7	N533 L567 L568	N533-Q537 HydrophobicContact CB-CG 4.42Å; N533-Q537 VanDerWaalsContact O-CD 3.27Å; N533-Q537 WeakPolarHBondContact O-CG 3.27Å; Q537-L567 HydrophobicContact CB-CD1 4.46Å; Q537-L567 HydrophobicContact CB-CD2 4.32Å; Q537-L568 PolarHBondContact NE2-O 3.37Å
538	I	94.4	Very high	96.4	Very high	42 Å²	42	28.6 Å²	28.6	22%	0.215	15%	0.146	C	C	.	.	S	Bend	trans	-68.4	157.7	174.2	69.3	174.6	0	0	0	111.3	P448 L567	P448-I538 HydrophobicContact CG-CG2 3.98Å; I538-L567 HydrophobicContact CG1-CD1 3.99Å; I538-L567 WeakPolarHBondContact O-CD1 3.49Å
539	G	95.6	Very high	96.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.			trans	79.1	-175.2	164.2	0	0	0	0	0	115.9	D441 K473 H556	D441-G539 WeakPolarHBondContact O-CA 3.36Å; D441-G539 WeakPolarHBondContact OD1-CA 3.39Å; D441-G539 PolarHBondContact OD1-N 3.15Å; D441-G539 VanDerWaalsContact OD2-CA 3.31Å; D441-G539 WeakPolarHBondContact OD2-CA 3.16Å; K473-G539 PolarHBondContact NZ-O 3.38Å; G539-H556 WeakPolarHBondContact CA-NE2 3.41Å
540	Y	97.7	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.			trans	-144.1	160.8	178	59.9	-88.2	0	0	0	111.6	F438 D441 A442 H556 F557 Y615 R617	F438-Y540 HydrophobicContact CB-CE1 4.13Å; F438-Y540 AromaticContact CD1-CD1 3.77Å; F438-Y540 HydrophobicContact CD1-CD1 3.77Å; F438-Y540 AromaticContact CD1-CD2 3.97Å; F438-Y540 HydrophobicContact CD1-CD2 3.97Å; F438-Y540 AromaticContact CD1-CE1 3.54Å; F438-Y540 HydrophobicContact CD1-CE1 3.54Å; F438-Y540 AromaticContact CD1-CE2 3.77Å; F438-Y540 HydrophobicContact CD1-CE2 3.77Å; F438-Y540 AromaticContact CD1-CG 3.96Å; F438-Y540 HydrophobicContact CD1-CG 3.96Å; F438-Y540 AromaticContact CD1-CZ 3.49Å; F438-Y540 VanDerWaalsContact CD1-CZ 3.49Å; F438-Y540 HydrophobicContact CE1-CD1 4.19Å; F438-Y540 AromaticContact CE1-CD2 3.78Å; F438-Y540 HydrophobicContact CE1-CD2 3.78Å; F438-Y540 HydrophobicContact CE1-CE1 4.3Å; F438-Y540 AromaticContact CE1-CE2 3.92Å; F438-Y540 HydrophobicContact CE1-CE2 3.92Å; F438-Y540 AromaticContact CE1-CG 3.91Å; F438-Y540 HydrophobicContact CE1-CG 3.91Å; F438-Y540 HydrophobicContact CG-CE1 4.13Å; F438-Y540 HydrophobicContact CG-CE2 4.25Å; F438-Y540 AromaticContact CG-CZ 3.81Å; F438-Y540 WeakPolarHBondContact O-CE1 3.43Å; F438-Y540 PolarHBondContact O-OH 2.89Å; D441-Y540 HydrophobicContact CB-CD1 3.83Å; D441-Y540 HydrophobicContact CB-CE1 3.95Å; A442-Y540 HydrophobicContact CB-CE1 4.2Å; Y540-H556 PolarHBondContact O-CD2 2.92Å; Y540-F557 HydrophobicContact CD2-CB 4.04Å; Y540-F557 HydrophobicContact CE1-CD1 4.44Å; Y540-F557 HydrophobicContact CE2-CB 3.69Å; Y540-F557 AromaticContact CE2-CD1 3.57Å; Y540-F557 HydrophobicContact CE2-CD1 3.57Å; Y540-F557 HydrophobicContact CE2-CE1 4.45Å; Y540-F557 AromaticContact CE2-CG 3.8Å; Y540-F557 HydrophobicContact CE2-CG 3.8Å; Y540-F557 AromaticContact CZ-CD1 3.49Å; Y540-F557 VanDerWaalsContact CZ-CD1 3.49Å; Y540-F557 PolarHBondContact O-N 2.85Å; Y540-F557 WeakPolarHBondContact OH-CD1 3.23Å; Y540-F557 WeakPolarHBondContact OH-CE1 2.96Å; Y540-Y615 HydrophobicContact CD1-CE1 4.09Å; Y540-Y615 HydrophobicContact CG-CE1 4.13Å; Y540-R617 HydrophobicContact CD2-CG 4.39Å; Y540-R617 HydrophobicContact CE2-CG 3.67Å; Y540-R617 PolarHBondContact OH-NE 3.43Å; Y540-R617 VanDerWaalsContact OH-NE 3.08Å
541	P	97.6	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	152.2	179.3	29.6	-27.2	0	0	0	112.8	W534 Q554 K555 W569 I571 Y616 R617	W534-P541 HydrophobicContact CH2-CG 3.95Å; W534-P541 HydrophobicContact CZ3-CG 4.41Å; P541-Q554 HydrophobicContact CB-CB 4.34Å; P541-K555 CarbonylContact C-O 3.58Å; P541-K555 WeakPolarHBondContact CA-O 3.43Å; P541-W569 HydrophobicContact CB-CD2 4.14Å; P541-W569 HydrophobicContact CB-CE3 3.61Å; P541-W569 HydrophobicContact CB-CZ3 4.03Å; P541-W569 HydrophobicContact CG-CB 4.13Å; P541-W569 HydrophobicContact CG-CD2 3.89Å; P541-W569 HydrophobicContact CG-CE3 3.9Å; P541-W569 HydrophobicContact CG-CG 4.01Å; P541-I571 HydrophobicContact CB-CD1 3.84Å; P541-I571 HydrophobicContact CG-CD1 3.43Å; P541-I571 VanDerWaalsContact CG-CD1 3.43Å; P541-I571 HydrophobicContact CG-CG1 4.08Å; P541-Y616 WeakPolarHBondContact O-CA 3.3Å; P541-Y616 VanDerWaalsContact O-CB 3.32Å; P541-Y616 WeakPolarHBondContact O-CB 3.49Å; P541-R617 PolarHBondContact O-N 3.28Å; P541-R617 VanDerWaalsContact O-N 3.1Å
542	V	98.2	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.8	151	54.8	0	0	0	0	108.9	Q554 K555 F557 R617 N619 L654	V542-Q554 WeakPolarHBondContact O-CA 3.46Å; V542-K555 HydrophobicContact CG1-CD 4.03Å; V542-K555 HydrophobicContact CG1-CG 3.38Å; V542-K555 PolarHBondContact N-O 2.89Å; V542-K555 PolarHBondContact O-N 2.94Å; V542-K555 VanDerWaalsContact O-N 3.09Å; V542-F557 HydrophobicContact CB-CB 4.09Å; V542-F557 HydrophobicContact CB-CD2 3.94Å; V542-F557 HydrophobicContact CB-CG 4.47Å; V542-F557 HydrophobicContact CG1-CB 4.1Å; V542-F557 HydrophobicContact CG1-CD2 4.05Å; V542-R617 CarbonylContact C-O 3.54Å; V542-R617 WeakPolarHBondContact CA-O 3.5Å; V542-R617 HydrophobicContact CB-CB 4.27Å; V542-R617 HydrophobicContact CG2-CB 4.29Å; V542-N619 HydrophobicContact CG2-CB 4.02Å; V542-L654 HydrophobicContact CG2-CD2 3.71Å
543	V	98.5	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.9	175.7	177.2	0	0	0	0	108.7	I545 I552 N553 I571 I573 L587 Y616 R617 V618 N619	V543-I545 HydrophobicContact CG1-CG1 4.3Å; V543-I552 HydrophobicContact CG1-CD1 3.63Å; V543-I552 HydrophobicContact CG1-CG1 3.65Å; V543-N553 CarbonylContact C-O 3.56Å; V543-N553 VanDerWaalsContact CA-O 3.32Å; V543-N553 WeakPolarHBondContact CA-O 3.44Å; V543-I571 HydrophobicContact CG2-CD1 3.76Å; V543-I573 HydrophobicContact CG1-CD1 4.12Å; V543-I573 HydrophobicContact CG2-CD1 4.02Å; V543-L587 HydrophobicContact CG1-CD2 4.45Å; V543-Y616 HydrophobicContact CB-CD2 4.16Å; V543-Y616 HydrophobicContact CB-CE2 4.36Å; V543-Y616 HydrophobicContact CG2-CD2 3.61Å; V543-Y616 HydrophobicContact CG2-CE2 3.98Å; V543-Y616 HydrophobicContact CG2-CG 4.25Å; V543-R617 PolarHBondContact N-O 3.09Å; V543-V618 CarbonylContact O-C 3.54Å; V543-V618 WeakPolarHBondContact O-CA 3.46Å; V543-N619 PolarHBondContact O-N 3.46Å
544	T	98.3	Very high	97	Very high	30 Å²	30	20.6 Å²	20.6	18%	0.184	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.2	178.7	-54.2	0	0	0	0	110.5	I552 N553 N619	T544-I552 WeakPolarHBondContact O-CA 3.42Å; T544-N553 WeakPolarHBondContact CB-OD1 3.18Å; T544-N553 PolarHBondContact N-O 3.06Å; T544-N553 PolarHBondContact O-N 3.09Å; T544-N619 CarbonylContact C-O 3.43Å; T544-N619 WeakPolarHBondContact CA-O 3.3Å; T544-N619 HydrophobicContact CG2-CB 4.21Å
545	I	98.1	Very high	96.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.9	-177.8	-58.1	145.9	0	0	0	109.6	V543 T547 S551 I552 L598 V608 V618 N619 Y620 N621	V543-I545 HydrophobicContact CG1-CG1 4.3Å; I545-T547 HydrophobicContact CG2-CG2 4.08Å; I545-S551 WeakPolarHBondContact CA-O 3.43Å; I545-I552 HydrophobicContact CG1-CD1 4.31Å; I545-I552 HydrophobicContact CG1-CG1 4.13Å; I545-L598 HydrophobicContact CG2-CB 4.4Å; I545-L598 HydrophobicContact CG2-CD1 4.41Å; I545-V608 HydrophobicContact CD1-CB 3.68Å; I545-V608 HydrophobicContact CD1-CG1 4.1Å; I545-V608 HydrophobicContact CD1-CG2 3.26Å; I545-V618 HydrophobicContact CD1-CG1 3.64Å; I545-N619 PolarHBondContact N-O 3.18Å; I545-Y620 HydrophobicContact CB-CD1 4.13Å; I545-Y620 HydrophobicContact CD1-CD1 3.93Å; I545-Y620 HydrophobicContact CD1-CE1 3.61Å; I545-Y620 CarbonylContact O-C 3.55Å; I545-Y620 VanDerWaalsContact O-CA 3.32Å; I545-Y620 WeakPolarHBondContact O-CA 3.41Å; I545-N621 PolarHBondContact O-N 3.38Å; I545-N621 VanDerWaalsContact O-N 3.08Å; I545-N621 PolarHBondContact O-OD1 3.01Å
546	N	97.6	Very high	96.8	Very high	56 Å²	56	25.5 Å²	25.5	30%	0.299	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.2	167.4	-175	-33.9	0	0	0	109.4	I548 S549 G550 S551 N621	N546-I548 PolarHBondContact O-N 2.99Å; N546-I548 WeakPolarHBondContact OD1-CA 3.43Å; N546-I548 VanDerWaalsContact OD1-CB 3.31Å; N546-I548 WeakPolarHBondContact OD1-CB 3.24Å; N546-I548 PolarHBondContact OD1-N 2.73Å; N546-S549 WeakPolarHBondContact CB-OG 3.43Å; N546-S549 PolarHBondContact O-N 3.3Å; N546-S549 PolarHBondContact OD1-N 3.09Å; N546-S549 PolarHBondContact OD1-OG 2.76Å; N546-G550 WeakPolarHBondContact O-CA 3.37Å; N546-G550 PolarHBondContact O-N 3.26Å; N546-S551 WeakPolarHBondContact CB-OG 3.1Å; N546-S551 PolarHBondContact N-O 3.44Å; N546-S551 PolarHBondContact O-N 2.83Å; N546-N621 WeakPolarHBondContact CA-OD1 3.06Å
547	T	96.6	Very high	96.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-2.3	-176	68.6	0	0	0	0	114.2	I545 L598 I599 S600 I606 N621 N624	I545-T547 HydrophobicContact CG2-CG2 4.08Å; T547-L598 VanDerWaalsContact CA-O 3.27Å; T547-L598 WeakPolarHBondContact CA-O 3.21Å; T547-I599 WeakPolarHBondContact O-CA 3.41Å; T547-S600 PolarHBondContact O-N 3.28Å; T547-I606 HydrophobicContact CG2-CB 4.12Å; T547-I606 HydrophobicContact CG2-CD1 3.89Å; T547-I606 HydrophobicContact CG2-CG1 4.4Å; T547-N621 PolarHBondContact N-OD1 3.19Å; T547-N621 PolarHBondContact OG1-ND2 2.98Å; T547-N621 PolarHBondContact OG1-OD1 3.01Å; T547-N624 HydrophobicContact CG2-CB 3.71Å
548	I	95.1	Very high	96.7	Very high	110 Å²	110	22.3 Å²	22.3	56%	0.564	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-47.1	175.9	-57.7	173.8	0	0	0	109.8	N546	N546-I548 PolarHBondContact O-N 2.99Å; N546-I548 WeakPolarHBondContact OD1-CA 3.43Å; N546-I548 VanDerWaalsContact OD1-CB 3.31Å; N546-I548 WeakPolarHBondContact OD1-CB 3.24Å; N546-I548 PolarHBondContact OD1-N 2.73Å
549	S	95.6	Very high	96.4	Very high	52 Å²	52	20.7 Å²	20.7	36%	0.364	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-18.4	179.1	52.6	0	0	0	0	113.7	N546 S551	N546-S549 WeakPolarHBondContact CB-OG 3.43Å; N546-S549 PolarHBondContact O-N 3.3Å; N546-S549 PolarHBondContact OD1-N 3.09Å; N546-S549 PolarHBondContact OD1-OG 2.76Å; S549-S551 VanDerWaalsContact C-N 3.25Å; S549-S551 PolarHBondContact OG-N 2.72Å; S549-S551 PolarHBondContact OG-OG 2.93Å
550	G	95.6	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	24.7	-168.5	0	0	0	0	0	112.3	N546 G594 M595	N546-G550 WeakPolarHBondContact O-CA 3.37Å; N546-G550 PolarHBondContact O-N 3.26Å; G550-G594 PolarHBondContact O-N 3.2Å; G550-M595 WeakPolarHBondContact O-CB 3.38Å; G550-M595 PolarHBondContact O-N 2.8Å
551	S	97.4	Very high	94.8	Very high	14 Å²	14	26.1 Å²	26.1	10%	0.098	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.3	175.9	66.3	0	0	0	0	111.3	I545 N546 S549 R592 D593	I545-S551 WeakPolarHBondContact CA-O 3.43Å; N546-S551 WeakPolarHBondContact CB-OG 3.1Å; N546-S551 PolarHBondContact N-O 3.44Å; N546-S551 PolarHBondContact O-N 2.83Å; S549-S551 VanDerWaalsContact C-N 3.25Å; S549-S551 PolarHBondContact OG-N 2.72Å; S549-S551 PolarHBondContact OG-OG 2.93Å; S551-R592 WeakPolarHBondContact CA-O 3.45Å; S551-D593 WeakPolarHBondContact CB-OD1 3.45Å
552	I	98	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.9	177.5	-174.4	173.1	0	0	0	108.7	V543 T544 I545 I573 F585 L587 E591 R592 M595 L598	V543-I552 HydrophobicContact CG1-CD1 3.63Å; V543-I552 HydrophobicContact CG1-CG1 3.65Å; T544-I552 WeakPolarHBondContact O-CA 3.42Å; I545-I552 HydrophobicContact CG1-CD1 4.31Å; I545-I552 HydrophobicContact CG1-CG1 4.13Å; I552-I573 HydrophobicContact CD1-CD1 4.4Å; I552-I573 HydrophobicContact CD1-CG1 4.29Å; I552-I573 HydrophobicContact CD1-CG2 4.49Å; I552-F585 HydrophobicContact CD1-CE2 4.06Å; I552-F585 HydrophobicContact CD1-CZ 3.78Å; I552-L587 HydrophobicContact CD1-CD2 3.98Å; I552-L587 HydrophobicContact CG1-CD2 3.95Å; I552-L587 HydrophobicContact CG2-CD1 4.17Å; I552-E591 CarbonylContact O-C 3.55Å; I552-E591 WeakPolarHBondContact O-CA 3.07Å; I552-R592 HydrophobicContact CG2-CB 3.94Å; I552-R592 PolarHBondContact N-O 3.34Å; I552-R592 PolarHBondContact O-N 2.86Å; I552-M595 HydrophobicContact CG2-SD 3.64Å; I552-L598 HydrophobicContact CB-CD1 3.84Å; I552-L598 HydrophobicContact CD1-CD1 4.06Å; I552-L598 HydrophobicContact CG1-CD1 4.47Å; I552-L598 HydrophobicContact CG2-CD1 4.09Å
553	N	97.1	Very high	93.1	Very high	43 Å²	43	31.8 Å²	31.8	23%	0.23	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.8	174	67.2	65.6	0	0	0	111.6	V543 T544 R590 E591	V543-N553 CarbonylContact C-O 3.56Å; V543-N553 VanDerWaalsContact CA-O 3.32Å; V543-N553 WeakPolarHBondContact CA-O 3.44Å; T544-N553 WeakPolarHBondContact CB-OD1 3.18Å; T544-N553 PolarHBondContact N-O 3.06Å; T544-N553 PolarHBondContact O-N 3.09Å; N553-R590 CarbonylContact C-O 3.56Å; N553-R590 WeakPolarHBondContact CA-O 3.45Å; N553-R590 VanDerWaalsContact CB-O 3.3Å; N553-R590 WeakPolarHBondContact CB-O 3.43Å; N553-E591 HydrophobicContact CB-CB 4Å; N553-E591 HydrophobicContact CB-CG 4.09Å
554	Q	97.1	Very high	92.2	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.7	172.5	59.8	170	-60.5	0	0	110.7	P541 V542 L568 W569 I571 L587 E589 R590	P541-Q554 HydrophobicContact CB-CB 4.34Å; V542-Q554 WeakPolarHBondContact O-CA 3.46Å; Q554-L568 HydrophobicContact CG-CD2 3.96Å; Q554-W569 PolarHBondContact NE2-O 3.12Å; Q554-W569 PolarHBondContact OE1-O 3.25Å; Q554-I571 HydrophobicContact CB-CD1 3.94Å; Q554-I571 HydrophobicContact CG-CD1 4.48Å; Q554-L587 HydrophobicContact CB-CD2 4.13Å; Q554-L587 HydrophobicContact CG-CD2 4.33Å; Q554-E589 PolarHBondContact NE2-O 3.22Å; Q554-R590 PolarHBondContact N-O 3.38Å
555	K	95.6	Very high	91.6	Very high	88 Å²	88	38.6 Å²	38.6	38%	0.383	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.4	166.8	70.2	179.6	-169.6	-178.4	0	109.8	P541 V542 F557 Q659	P541-K555 CarbonylContact C-O 3.58Å; P541-K555 WeakPolarHBondContact CA-O 3.43Å; V542-K555 HydrophobicContact CG1-CD 4.03Å; V542-K555 HydrophobicContact CG1-CG 3.38Å; V542-K555 PolarHBondContact N-O 2.89Å; V542-K555 PolarHBondContact O-N 2.94Å; V542-K555 VanDerWaalsContact O-N 3.09Å; K555-F557 PolarHBondContact O-N 3.36Å; K555-Q659 VanDerWaalsContact NZ-NE2 3.18Å
556	H	96.4	Very high	91.2	Very high	15 Å²	15	44 Å²	44	7%	0.069	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	124.6	167.9	-173.5	-177	0	0	0	110	G539 Y540 S565 W569	G539-H556 WeakPolarHBondContact CA-NE2 3.41Å; Y540-H556 PolarHBondContact O-CD2 2.92Å; H556-S565 WeakPolarHBondContact ND1-CB 3.03Å; H556-S565 PolarHBondContact ND1-OG 2.84Å; H556-W569 HydrophobicContact CB-CH2 3.74Å; H556-W569 HydrophobicContact CB-CZ3 3.99Å; H556-W569 AromaticContact CD2-CH2 3.86Å; H556-W569 AromaticContact CG-CH2 3.79Å
557	F	96.3	Very high	91	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.255	C	S	.	.			trans	-81.5	123.1	174.4	-178.6	-91.2	0	0	0	110.1	A442 Y540 V542 K555 Y559 N653 L654 A657	A442-F557 HydrophobicContact CB-CD1 3.76Å; A442-F557 HydrophobicContact CB-CE1 3.77Å; Y540-F557 HydrophobicContact CD2-CB 4.04Å; Y540-F557 HydrophobicContact CE1-CD1 4.44Å; Y540-F557 HydrophobicContact CE2-CB 3.69Å; Y540-F557 AromaticContact CE2-CD1 3.57Å; Y540-F557 HydrophobicContact CE2-CD1 3.57Å; Y540-F557 HydrophobicContact CE2-CE1 4.45Å; Y540-F557 AromaticContact CE2-CG 3.8Å; Y540-F557 HydrophobicContact CE2-CG 3.8Å; Y540-F557 AromaticContact CZ-CD1 3.49Å; Y540-F557 VanDerWaalsContact CZ-CD1 3.49Å; Y540-F557 PolarHBondContact O-N 2.85Å; Y540-F557 WeakPolarHBondContact OH-CD1 3.23Å; Y540-F557 WeakPolarHBondContact OH-CE1 2.96Å; V542-F557 HydrophobicContact CB-CB 4.09Å; V542-F557 HydrophobicContact CB-CD2 3.94Å; V542-F557 HydrophobicContact CB-CG 4.47Å; V542-F557 HydrophobicContact CG1-CB 4.1Å; V542-F557 HydrophobicContact CG1-CD2 4.05Å; K555-F557 PolarHBondContact O-N 3.36Å; F557-Y559 HydrophobicContact CE1-CD1 4.27Å; F557-Y559 AromaticContact CE1-CE1 3.99Å; F557-Y559 HydrophobicContact CE1-CE1 3.99Å; F557-Y559 HydrophobicContact CZ-CD1 4.37Å; F557-Y559 HydrophobicContact CZ-CE1 4.14Å; F557-N653 HydrophobicContact CE1-CB 4.49Å; F557-N653 HydrophobicContact CZ-CB 3.85Å; F557-N653 WeakPolarHBondContact CZ-O 3.35Å; F557-L654 HydrophobicContact CD2-CD2 4.45Å; F557-L654 HydrophobicContact CE2-CD2 4.09Å; F557-A657 HydrophobicContact CD2-CB 4.49Å; F557-A657 HydrophobicContact CE2-CB 3.66Å; F557-A657 HydrophobicContact CZ-CB 3.8Å
558	L	92.9	Very high	91	Very high	12 Å²	12	46 Å²	46	6%	0.063	27%	0.267	C	S	.	.			trans	-139.2	143.5	177.4	-69.8	172.7	0	0	0	109.2	A442 L444 N560 A563 A657	A442-L558 WeakPolarHBondContact O-CA 2.9Å; A442-L558 WeakPolarHBondContact O-CD2 3.29Å; L444-L558 HydrophobicContact CD2-CD1 3.82Å; L444-L558 HydrophobicContact CD2-CD2 4.26Å; L444-L558 HydrophobicContact CG-CD1 4.48Å; L558-N560 VanDerWaalsContact C-N 3.31Å; L558-A563 HydrophobicContact CD1-CB 3.62Å; L558-A657 WeakPolarHBondContact O-CB 3.19Å
559	Y	88.2	Confident	91.1	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.027	24%	0.241	C	C	.	.	S	Bend	trans	-67	-35.5	172.2	-68.2	-53.7	0	0	0	112.1	A442 L443 F557 S561 N653 R656	A442-Y559 HydrophobicContact CB-CD2 3.67Å; A442-Y559 HydrophobicContact CB-CE2 3.46Å; A442-Y559 VanDerWaalsContact CB-CE2 3.46Å; A442-Y559 HydrophobicContact CB-CG 4.32Å; A442-Y559 PolarHBondContact O-N 2.84Å; L443-Y559 HydrophobicContact CD2-CD2 3.99Å; F557-Y559 HydrophobicContact CE1-CD1 4.27Å; F557-Y559 AromaticContact CE1-CE1 3.99Å; F557-Y559 HydrophobicContact CE1-CE1 3.99Å; F557-Y559 HydrophobicContact CZ-CD1 4.37Å; F557-Y559 HydrophobicContact CZ-CE1 4.14Å; Y559-S561 PolarHBondContact O-N 3.02Å; Y559-N653 HydrophobicContact CE1-CB 4.47Å; Y559-N653 WeakPolarHBondContact CE1-OD1 3.23Å; Y559-N653 PolarHBondContact OH-OD1 2.94Å; Y559-R656 HydrophobicContact CD1-CB 3.9Å; Y559-R656 HydrophobicContact CE1-CB 4.03Å; Y559-R656 VanDerWaalsContact CE1-NE 3.32Å; Y559-R656 PolarHBondContact OH-NH1 3.13Å
560	N	83.2	Confident	91.1	Very high	55 Å²	55	41.5 Å²	41.5	29%	0.294	24%	0.237	S	C	.	.			trans	-76.4	94.5	173.8	-174.7	-9.5	0	0	0	110.7	L558 S562 A563	L558-N560 VanDerWaalsContact C-N 3.31Å; N560-S562 PolarHBondContact O-N 3.3Å; N560-S562 WeakPolarHBondContact OD1-CB 2.92Å; N560-S562 PolarHBondContact OD1-N 3.49Å; N560-S562 VanDerWaalsContact OD1-N 3.1Å; N560-A563 HydrophobicContact CB-CB 4.37Å; N560-A563 WeakPolarHBondContact O-CB 3.31Å; N560-A563 PolarHBondContact O-N 3.23Å
561	S	77.1	Confident	91.1	Very high	60 Å²	60	41.5 Å²	41.5	42%	0.42	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.9	-179.3	67.8	0	0	0	0	114.8	Y559	Y559-S561 PolarHBondContact O-N 3.02Å
562	S	80.2	Confident	91	Very high	89 Å²	89	42.1 Å²	42.1	62%	0.622	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.2	179.3	-52.1	0	0	0	0	112.9	N560	N560-S562 PolarHBondContact O-N 3.3Å; N560-S562 WeakPolarHBondContact OD1-CB 2.92Å; N560-S562 PolarHBondContact OD1-N 3.49Å; N560-S562 VanDerWaalsContact OD1-N 3.1Å
563	A	80.3	Confident	90.9	Very high	30 Å²	30	42.1 Å²	42.1	25%	0.248	24%	0.241	C	C	.	.			trans	-70.3	133	179.2	0	0	0	0	0	110.6	L444 L558 N560	L444-A563 HydrophobicContact CD1-CB 4.07Å; L444-A563 HydrophobicContact CD2-CB 4.37Å; L558-A563 HydrophobicContact CD1-CB 3.62Å; N560-A563 HydrophobicContact CB-CB 4.37Å; N560-A563 WeakPolarHBondContact O-CB 3.31Å; N560-A563 PolarHBondContact O-N 3.23Å
564	V	78.8	Confident	90.8	Very high	136 Å²	136	41.4 Å²	41.4	82%	0.824	24%	0.238	S	C	*	.			trans	-102.1	121.3	176.9	-178.5	0	0	0	0	108.6
565	S	87	Confident	90.8	Very high	37 Å²	37	42 Å²	42	26%	0.259	24%	0.24	S	C	.	.			trans	-128	143.1	176.1	-173.3	0	0	0	0	111.1	H556 L567	H556-S565 WeakPolarHBondContact ND1-CB 3.03Å; H556-S565 PolarHBondContact ND1-OG 2.84Å; S565-L567 WeakPolarHBondContact OG-CG 3.44Å; S565-L567 PolarHBondContact OG-N 3.15Å
566	N	88.9	Confident	90.8	Very high	114 Å²	114	38.4 Å²	38.4	61%	0.61	23%	0.226	S	C	*	.			trans	-111	9.5	177.2	-75.5	-41.9	0	0	0	113.4	R590	N566-R590 PolarHBondContact O-NH2 3.04Å; N566-R590 PolarHBondContact OD1-NH1 3.49Å; N566-R590 PolarHBondContact OD1-NH2 3.09Å; N566-R590 VanDerWaalsContact OD1-NH2 3.16Å
567	L	94.5	Very high	90.6	Very high	49 Å²	49	38.5 Å²	38.5	26%	0.257	23%	0.227	S	C	.	.			trans	-61.3	142.3	178.1	-63.2	-176.6	0	0	0	110.9	Q537 I538 S565 W569	Q537-L567 HydrophobicContact CB-CD1 4.46Å; Q537-L567 HydrophobicContact CB-CD2 4.32Å; I538-L567 HydrophobicContact CG1-CD1 3.99Å; I538-L567 WeakPolarHBondContact O-CD1 3.49Å; S565-L567 WeakPolarHBondContact OG-CG 3.44Å; S565-L567 PolarHBondContact OG-N 3.15Å; L567-W569 HydrophobicContact CB-CH2 3.55Å; L567-W569 HydrophobicContact CB-CZ2 4.21Å; L567-W569 HydrophobicContact CB-CZ3 3.81Å; L567-W569 HydrophobicContact CD1-CH2 4.24Å; L567-W569 HydrophobicContact CD1-CZ2 4.44Å
568	L	95.5	Very high	90	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.267	25%	0.247	S	C	.	.			trans	-135	152.9	179	-70.3	175.7	0	0	0	108.9	N533 Q537 Q554 R590	N533-L568 PolarHBondContact ND2-O 2.7Å; Q537-L568 PolarHBondContact NE2-O 3.37Å; Q554-L568 HydrophobicContact CG-CD2 3.96Å; L568-R590 HydrophobicContact CD2-CB 3.9Å; L568-R590 HydrophobicContact CD2-CG 4.15Å
569	W	96.9	Very high	89.4	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	27%	0.272	C	S	.	.			trans	-127.6	155.9	177.2	-66.6	-99.4	0	0	0	110	N533 W534 P541 Q554 H556 L567 I571	N533-W569 PolarHBondContact O-NE1 3.24Å; W534-W569 AromaticContact CD2-CD1 3.62Å; W534-W569 AromaticContact CE2-CD1 3.87Å; W534-W569 AromaticContact CE3-CD1 3.53Å; W534-W569 HydrophobicContact CE3-CG 4.47Å; W534-W569 AromaticContact CE3-NE1 3.95Å; W534-W569 HydrophobicContact CH2-CB 4.2Å; W534-W569 HydrophobicContact CH2-CG 4.21Å; W534-W569 HydrophobicContact CZ2-CB 3.91Å; W534-W569 HydrophobicContact CZ2-CG 4.27Å; W534-W569 AromaticContact CZ3-CD1 3.71Å; W534-W569 HydrophobicContact CZ3-CG 4.29Å; P541-W569 HydrophobicContact CB-CD2 4.14Å; P541-W569 HydrophobicContact CB-CE3 3.61Å; P541-W569 HydrophobicContact CB-CZ3 4.03Å; P541-W569 HydrophobicContact CG-CB 4.13Å; P541-W569 HydrophobicContact CG-CD2 3.89Å; P541-W569 HydrophobicContact CG-CE3 3.9Å; P541-W569 HydrophobicContact CG-CG 4.01Å; Q554-W569 PolarHBondContact NE2-O 3.12Å; Q554-W569 PolarHBondContact OE1-O 3.25Å; H556-W569 HydrophobicContact CB-CH2 3.74Å; H556-W569 HydrophobicContact CB-CZ3 3.99Å; H556-W569 AromaticContact CD2-CH2 3.86Å; H556-W569 AromaticContact CG-CH2 3.79Å; L567-W569 HydrophobicContact CB-CH2 3.55Å; L567-W569 HydrophobicContact CB-CZ2 4.21Å; L567-W569 HydrophobicContact CB-CZ3 3.81Å; L567-W569 HydrophobicContact CD1-CH2 4.24Å; L567-W569 HydrophobicContact CD1-CZ2 4.44Å; W569-I571 HydrophobicContact CB-CD1 4.31Å; W569-I571 HydrophobicContact CB-CG1 3.76Å
570	K	95.5	Very high	89.2	Confident	67 Å²	67	49 Å²	49	29%	0.291	29%	0.287	S	S	.	.			trans	-92.3	109.9	163.1	-65.8	-174.2	-166.6	156.9	0	107.5	P525 E529 F530 W534 W586	P525-K570 HydrophobicContact CB-CD 4.41Å; E529-K570 VanDerWaalsContact O-CD 3.31Å; E529-K570 WeakPolarHBondContact O-CD 3.16Å; E529-K570 WeakPolarHBondContact O-CE 3.23Å; E529-K570 PolarHBondContact O-NZ 3.13Å; F530-K570 HydrophobicContact CD2-CB 4.48Å; F530-K570 WeakPolarHBondContact CD2-O 3.33Å; F530-K570 WeakPolarHBondContact CE2-O 3.36Å; W534-K570 PolarHBondContact NE1-O 3.02Å; W534-K570 VanDerWaalsContact NE1-O 3.12Å; K570-W586 HydrophobicContact CB-CE3 4.28Å; K570-W586 HydrophobicContact CB-CZ3 4.08Å
571	I	96.4	Very high	89.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.9	-168.6	-47.3	173.4	0	0	0	109.3	W534 P541 V543 Q554 W569 I573 L587 Y616	W534-I571 HydrophobicContact CH2-CG1 4.45Å; W534-I571 HydrophobicContact CZ2-CG1 4.14Å; P541-I571 HydrophobicContact CB-CD1 3.84Å; P541-I571 HydrophobicContact CG-CD1 3.43Å; P541-I571 VanDerWaalsContact CG-CD1 3.43Å; P541-I571 HydrophobicContact CG-CG1 4.08Å; V543-I571 HydrophobicContact CG2-CD1 3.76Å; Q554-I571 HydrophobicContact CB-CD1 3.94Å; Q554-I571 HydrophobicContact CG-CD1 4.48Å; W569-I571 HydrophobicContact CB-CD1 4.31Å; W569-I571 HydrophobicContact CB-CG1 3.76Å; I571-I573 HydrophobicContact CB-CD1 4.14Å; I571-I573 HydrophobicContact CG2-CD1 3.58Å; I571-I573 HydrophobicContact CG2-CG1 4.39Å; I571-I573 PolarHBondContact O-N 3.07Å; I571-L587 HydrophobicContact CB-CB 4.49Å; I571-L587 HydrophobicContact CD1-CD2 4.47Å; I571-L587 PolarHBondContact N-O 3.12Å; I571-L587 PolarHBondContact O-N 3.4Å; I571-Y616 HydrophobicContact CG2-CD1 3.38Å; I571-Y616 HydrophobicContact CG2-CE1 3.35Å; I571-Y616 HydrophobicContact CG2-CG 4.01Å
572	P	94.7	Very high	90	Very high	26 Å²	26	55.1 Å²	55.1	17%	0.169	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	111.2	164.9	29.5	-30.2	0	0	0	108.3	M480 F530 W586 Y616	M480-P572 HydrophobicContact CG-CG 4.33Å; M480-P572 HydrophobicContact SD-CG 4.34Å; F530-P572 HydrophobicContact CE2-CG 4.18Å; F530-P572 HydrophobicContact CZ-CG 4.03Å; P572-W586 HydrophobicContact CB-CH2 3.81Å; P572-W586 HydrophobicContact CB-CZ2 3.93Å; P572-W586 HydrophobicContact CB-CZ3 4.24Å; P572-W586 HydrophobicContact CG-CH2 4.11Å; P572-W586 HydrophobicContact CG-CZ3 4.46Å; P572-Y616 PolarHBondContact O-OH 3.05Å
573	I	95.8	Very high	90.6	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.2	179.3	-59.2	-63.8	0	0	0	108.6	V543 I552 I571 D584 F585 L587 V608 Y616	V543-I573 HydrophobicContact CG1-CD1 4.12Å; V543-I573 HydrophobicContact CG2-CD1 4.02Å; I552-I573 HydrophobicContact CD1-CD1 4.4Å; I552-I573 HydrophobicContact CD1-CG1 4.29Å; I552-I573 HydrophobicContact CD1-CG2 4.49Å; I571-I573 HydrophobicContact CB-CD1 4.14Å; I571-I573 HydrophobicContact CG2-CD1 3.58Å; I571-I573 HydrophobicContact CG2-CG1 4.39Å; I571-I573 PolarHBondContact O-N 3.07Å; I573-D584 CarbonylContact O-C 3.47Å; I573-D584 WeakPolarHBondContact O-CA 3.17Å; I573-D584 WeakPolarHBondContact O-CB 3.39Å; I573-F585 HydrophobicContact CB-CD1 4.3Å; I573-F585 HydrophobicContact CB-CD2 4.19Å; I573-F585 HydrophobicContact CB-CE1 3.99Å; I573-F585 HydrophobicContact CB-CE2 3.86Å; I573-F585 HydrophobicContact CB-CG 4.4Å; I573-F585 HydrophobicContact CB-CZ 3.75Å; I573-F585 HydrophobicContact CG1-CD2 4.43Å; I573-F585 HydrophobicContact CG1-CE2 3.89Å; I573-F585 HydrophobicContact CG1-CZ 4.1Å; I573-F585 HydrophobicContact CG2-CD1 4.26Å; I573-F585 HydrophobicContact CG2-CE1 3.55Å; I573-F585 HydrophobicContact CG2-CE2 4.08Å; I573-F585 HydrophobicContact CG2-CZ 3.44Å; I573-F585 VanDerWaalsContact CG2-CZ 3.44Å; I573-F585 PolarHBondContact N-O 3.13Å; I573-F585 PolarHBondContact O-N 3.27Å; I573-L587 HydrophobicContact CD1-CB 4.44Å; I573-L587 HydrophobicContact CG1-CB 3.88Å; I573-V608 HydrophobicContact CG2-CG1 3.82Å; I573-Y616 HydrophobicContact CD1-CE1 4.49Å; I573-Y616 HydrophobicContact CD1-CE2 4.11Å
574	T	96.3	Very high	91.2	Very high	28 Å²	28	58.8 Å²	58.8	17%	0.172	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.5	165.1	59	0	0	0	0	109.7	N583 D584 V608 N609 I610	T574-N583 CarbonylContact C-O 3.59Å; T574-N583 WeakPolarHBondContact CA-O 2.89Å; T574-D584 HydrophobicContact CG2-CB 4.25Å; T574-V608 CarbonylContact O-C 3.57Å; T574-V608 VanDerWaalsContact O-CA 3.27Å; T574-V608 WeakPolarHBondContact O-CA 3.44Å; T574-V608 WeakPolarHBondContact O-CG1 3.33Å; T574-N609 PolarHBondContact O-N 3.43Å; T574-N609 WeakPolarHBondContact OG1-CA 3.29Å; T574-I610 PolarHBondContact OG1-N 3.18Å
575	Y	96.1	Very high	91.9	Very high	18 Å²	18	53.9 Å²	53.9	7%	0.071	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157.2	179.5	74.7	-80.3	0	0	0	112.7	P582 N583 F585 E597 L598 L607	Y575-P582 CarbonylContact O-C 3.48Å; Y575-P582 WeakPolarHBondContact O-CA 2.97Å; Y575-N583 HydrophobicContact CD1-CB 4.44Å; Y575-N583 WeakPolarHBondContact CD1-O 3.27Å; Y575-N583 HydrophobicContact CE1-CB 3.75Å; Y575-N583 HydrophobicContact CE2-CB 4.49Å; Y575-N583 PolarHBondContact N-O 2.81Å; Y575-N583 PolarHBondContact O-N 2.75Å; Y575-N583 PolarHBondContact OH-ND2 3.35Å; Y575-F585 AromaticContact CD1-CD1 3.91Å; Y575-F585 HydrophobicContact CD1-CD1 3.91Å; Y575-F585 AromaticContact CD1-CE1 3.76Å; Y575-F585 HydrophobicContact CD1-CE1 3.76Å; Y575-F585 AromaticContact CE1-CD1 3.79Å; Y575-F585 HydrophobicContact CE1-CD1 3.79Å; Y575-F585 AromaticContact CE1-CE1 3.98Å; Y575-F585 HydrophobicContact CE1-CE1 3.98Å; Y575-E597 HydrophobicContact CE2-CB 3.91Å; Y575-E597 VanDerWaalsContact OH-CB 3.28Å; Y575-E597 WeakPolarHBondContact OH-CB 3.29Å; Y575-E597 WeakPolarHBondContact OH-CG 3.25Å; Y575-L598 HydrophobicContact CD2-CD2 4.3Å; Y575-L598 HydrophobicContact CG-CD2 4.3Å; Y575-L607 CarbonylContact C-O 3.57Å; Y575-L607 WeakPolarHBondContact CA-O 3.4Å
576	T	95.3	Very high	92.2	Very high	12 Å²	12	55.8 Å²	55.8	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	170.1	174.4	-163.4	0	0	0	0	111.4	S580 W605 L607 I610	T576-S580 PolarHBondContact OG1-O 2.91Å; T576-W605 HydrophobicContact CG2-CH2 4.47Å; T576-W605 HydrophobicContact CG2-CZ3 4.04Å; T576-L607 HydrophobicContact CG2-CB 4.15Å; T576-L607 HydrophobicContact CG2-CD2 4.23Å; T576-L607 PolarHBondContact N-O 3.5Å; T576-L607 PolarHBondContact O-N 3.39Å; T576-I610 HydrophobicContact CG2-CD1 3.42Å; T576-I610 VanDerWaalsContact CG2-CD1 3.42Å; T576-I610 HydrophobicContact CG2-CG1 4.38Å
577	T	92	Very high	92.4	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	173	173.6	72.1	0	0	0	0	109.5	I579 S580 E604 W605 I606	T577-I579 PolarHBondContact O-N 2.89Å; T577-I579 VanDerWaalsContact OG1-CG1 3.28Å; T577-I579 WeakPolarHBondContact OG1-CG1 3.38Å; T577-I579 PolarHBondContact OG1-N 3.13Å; T577-S580 PolarHBondContact N-OG 2.72Å; T577-S580 WeakPolarHBondContact OG1-CB 3.22Å; T577-S580 PolarHBondContact OG1-N 2.7Å; T577-S580 VanDerWaalsContact OG1-N 3.12Å; T577-S580 PolarHBondContact OG1-OG 3.35Å; T577-E604 HydrophobicContact CG2-CG 4.34Å; T577-W605 WeakPolarHBondContact CA-O 3.06Å; T577-I606 HydrophobicContact CG2-CG1 4.01Å
578	N	83.6	Confident	92.3	Very high	78 Å²	78	49.9 Å²	49.9	42%	0.417	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-4.5	173.7	70.4	-20.4	0	0	0	115	E604 W605	N578-E604 WeakPolarHBondContact OD1-CB 3.41Å; N578-W605 HydrophobicContact CB-CD2 4.28Å; N578-W605 HydrophobicContact CB-CH2 4.44Å; N578-W605 HydrophobicContact CB-CZ2 3.69Å
579	I	80.9	Confident	92.3	Very high	115 Å²	115	51.5 Å²	51.5	59%	0.59	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	-4.4	-175.3	57	170.3	0	0	0	114.5	T577	T577-I579 PolarHBondContact O-N 2.89Å; T577-I579 VanDerWaalsContact OG1-CG1 3.28Å; T577-I579 WeakPolarHBondContact OG1-CG1 3.38Å; T577-I579 PolarHBondContact OG1-N 3.13Å
580	S	83.6	Confident	92.2	Very high	48 Å²	48	56.9 Å²	56.9	34%	0.336	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.5	-174.6	65.5	0	0	0	0	111.8	T576 T577	T576-S580 PolarHBondContact OG1-O 2.91Å; T577-S580 PolarHBondContact N-OG 2.72Å; T577-S580 WeakPolarHBondContact OG1-CB 3.22Å; T577-S580 PolarHBondContact OG1-N 2.7Å; T577-S580 VanDerWaalsContact OG1-N 3.12Å; T577-S580 PolarHBondContact OG1-OG 3.35Å
581	E	87.3	Confident	92.2	Very high	168 Å²	168	58.7 Å²	58.7	79%	0.785	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	155.9	166.9	-65.3	-59.7	152.5	0	0	111
582	P	90	Very high	92.2	Very high	75 Å²	75	63.1 Å²	63.1	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	141.9	173.4	-25.1	35	0	0	0	112.8	Y575 I610	Y575-P582 CarbonylContact O-C 3.48Å; Y575-P582 WeakPolarHBondContact O-CA 2.97Å; P582-I610 HydrophobicContact CB-CG1 4.42Å
583	N	92.9	Very high	92.1	Very high	87 Å²	87	67.2 Å²	67.2	47%	0.465	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	166.4	178	-159.5	-11	0	0	0	110	T574 Y575	T574-N583 CarbonylContact C-O 3.59Å; T574-N583 WeakPolarHBondContact CA-O 2.89Å; Y575-N583 HydrophobicContact CD1-CB 4.44Å; Y575-N583 WeakPolarHBondContact CD1-O 3.27Å; Y575-N583 HydrophobicContact CE1-CB 3.75Å; Y575-N583 HydrophobicContact CE2-CB 4.49Å; Y575-N583 PolarHBondContact N-O 2.81Å; Y575-N583 PolarHBondContact O-N 2.75Å; Y575-N583 PolarHBondContact OH-ND2 3.35Å
584	D	93.3	Very high	91.8	Very high	109 Å²	109	69.6 Å²	69.6	58%	0.583	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.5	-173.8	68.3	3.8	0	0	0	114.9	I573 T574	I573-D584 CarbonylContact O-C 3.47Å; I573-D584 WeakPolarHBondContact O-CA 3.17Å; I573-D584 WeakPolarHBondContact O-CB 3.39Å; T574-D584 HydrophobicContact CG2-CB 4.25Å
585	F	93.4	Very high	91.7	Very high	32 Å²	32	69 Å²	69	14%	0.14	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	172.4	169.3	64.7	-89.4	0	0	0	111.5	I552 I573 Y575 M595 L598	I552-F585 HydrophobicContact CD1-CE2 4.06Å; I552-F585 HydrophobicContact CD1-CZ 3.78Å; I573-F585 HydrophobicContact CB-CD1 4.3Å; I573-F585 HydrophobicContact CB-CD2 4.19Å; I573-F585 HydrophobicContact CB-CE1 3.99Å; I573-F585 HydrophobicContact CB-CE2 3.86Å; I573-F585 HydrophobicContact CB-CG 4.4Å; I573-F585 HydrophobicContact CB-CZ 3.75Å; I573-F585 HydrophobicContact CG1-CD2 4.43Å; I573-F585 HydrophobicContact CG1-CE2 3.89Å; I573-F585 HydrophobicContact CG1-CZ 4.1Å; I573-F585 HydrophobicContact CG2-CD1 4.26Å; I573-F585 HydrophobicContact CG2-CE1 3.55Å; I573-F585 HydrophobicContact CG2-CE2 4.08Å; I573-F585 HydrophobicContact CG2-CZ 3.44Å; I573-F585 VanDerWaalsContact CG2-CZ 3.44Å; I573-F585 PolarHBondContact N-O 3.13Å; I573-F585 PolarHBondContact O-N 3.27Å; Y575-F585 AromaticContact CD1-CD1 3.91Å; Y575-F585 HydrophobicContact CD1-CD1 3.91Å; Y575-F585 AromaticContact CD1-CE1 3.76Å; Y575-F585 HydrophobicContact CD1-CE1 3.76Å; Y575-F585 AromaticContact CE1-CD1 3.79Å; Y575-F585 HydrophobicContact CE1-CD1 3.79Å; Y575-F585 AromaticContact CE1-CE1 3.98Å; Y575-F585 HydrophobicContact CE1-CE1 3.98Å; F585-M595 HydrophobicContact CD1-CE 4Å; F585-M595 HydrophobicContact CD2-CE 3.82Å; F585-M595 HydrophobicContact CE1-CE 3.82Å; F585-M595 HydrophobicContact CE2-CE 3.64Å; F585-M595 HydrophobicContact CE2-SD 3.91Å; F585-M595 HydrophobicContact CG-CE 4Å; F585-M595 HydrophobicContact CZ-CE 3.64Å; F585-M595 HydrophobicContact CZ-SD 4.03Å; F585-L598 HydrophobicContact CE1-CD1 4.47Å; F585-L598 HydrophobicContact CE1-CD2 4.28Å; F585-L598 HydrophobicContact CZ-CD1 3.99Å
586	W	92.6	Very high	91.5	Very high	77 Å²	77	73.1 Å²	73.1	29%	0.292	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.2	176.7	-76.8	88.1	0	0	0	112.8	Y484 P525 F530 K570 P572	Y484-W586 HydrophobicContact CD2-CH2 4.09Å; Y484-W586 AromaticContact CD2-CZ2 3.48Å; Y484-W586 HydrophobicContact CD2-CZ2 3.48Å; Y484-W586 VanDerWaalsContact CD2-CZ2 3.48Å; Y484-W586 HydrophobicContact CE1-CH2 4.4Å; Y484-W586 HydrophobicContact CE1-CZ2 4.35Å; Y484-W586 AromaticContact CE2-CE2 3.99Å; Y484-W586 AromaticContact CE2-CH2 3.93Å; Y484-W586 HydrophobicContact CE2-CH2 3.93Å; Y484-W586 AromaticContact CE2-CZ2 3.14Å; Y484-W586 HydrophobicContact CE2-CZ2 3.14Å; Y484-W586 HydrophobicContact CG-CH2 4.41Å; Y484-W586 HydrophobicContact CG-CZ2 4.23Å; Y484-W586 AromaticContact CZ-CZ2 3.56Å; P525-W586 HydrophobicContact CG-CD2 4.22Å; P525-W586 HydrophobicContact CG-CE3 4.22Å; P525-W586 HydrophobicContact CG-CH2 4.18Å; P525-W586 HydrophobicContact CG-CZ2 4.22Å; P525-W586 HydrophobicContact CG-CZ3 4.16Å; F530-W586 HydrophobicContact CD1-CH2 4.47Å; F530-W586 AromaticContact CD2-CH2 3.6Å; F530-W586 HydrophobicContact CD2-CH2 3.6Å; F530-W586 AromaticContact CD2-CZ3 3.64Å; F530-W586 HydrophobicContact CD2-CZ3 3.64Å; F530-W586 AromaticContact CE2-CH2 3.72Å; F530-W586 HydrophobicContact CE2-CH2 3.72Å; F530-W586 AromaticContact CE2-CZ3 3.86Å; F530-W586 HydrophobicContact CE2-CZ3 3.86Å; F530-W586 HydrophobicContact CG-CH2 4.01Å; F530-W586 HydrophobicContact CG-CZ3 4.39Å; F530-W586 HydrophobicContact CZ-CH2 4.19Å; K570-W586 HydrophobicContact CB-CE3 4.28Å; K570-W586 HydrophobicContact CB-CZ3 4.08Å; P572-W586 HydrophobicContact CB-CH2 3.81Å; P572-W586 HydrophobicContact CB-CZ2 3.93Å; P572-W586 HydrophobicContact CB-CZ3 4.24Å; P572-W586 HydrophobicContact CG-CH2 4.11Å; P572-W586 HydrophobicContact CG-CZ3 4.46Å
587	L	94.9	Very high	91.2	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.2	165.5	-176.8	66.5	0	0	0	109.3	V543 I552 Q554 I571 I573 R592	V543-L587 HydrophobicContact CG1-CD2 4.45Å; I552-L587 HydrophobicContact CD1-CD2 3.98Å; I552-L587 HydrophobicContact CG1-CD2 3.95Å; I552-L587 HydrophobicContact CG2-CD1 4.17Å; Q554-L587 HydrophobicContact CB-CD2 4.13Å; Q554-L587 HydrophobicContact CG-CD2 4.33Å; I571-L587 HydrophobicContact CB-CB 4.49Å; I571-L587 HydrophobicContact CD1-CD2 4.47Å; I571-L587 PolarHBondContact N-O 3.12Å; I571-L587 PolarHBondContact O-N 3.4Å; I573-L587 HydrophobicContact CD1-CB 4.44Å; I573-L587 HydrophobicContact CG1-CB 3.88Å; L587-R592 HydrophobicContact CD1-CB 4.43Å
588	G	92.1	Very high	91.3	Very high	39 Å²	39	76.6 Å²	76.6	40%	0.402	40%	0.399	S	S	.	.			trans	-114.9	-20.6	173.6	0	0	0	0	0	112.9
589	E	93.7	Very high	91.9	Very high	85 Å²	85	74.8 Å²	74.8	40%	0.397	39%	0.389	S	S	.	.	S	Bend	trans	-78.9	159.6	174.1	-49.8	93	148.2	0	0	110.8	Q554 E591 R592	Q554-E589 PolarHBondContact NE2-O 3.22Å; E589-E591 VanDerWaalsContact C-N 3.29Å; E589-E591 PolarHBondContact O-N 3.37Å; E589-R592 IonicContact OE1-CZ 3.49Å; E589-R592 IonicContact OE1-NE 2.81Å; E589-R592 IonicContact OE1-NH2 3.32Å; E589-R592 PolarHBondContact OE1-NH2 3.36Å; E589-R592 IonicContact OE2-NE 3.39Å; E589-R592 IonicContact OE2-NH2 3.74Å
590	R	95.4	Very high	92.4	Very high	114 Å²	114	70.2 Å²	70.2	43%	0.43	37%	0.368	S	S	.	.	S	Bend	trans	-64.5	-37.5	174.3	-176.1	170.2	-68.8	-140.9	2.6	112	N553 Q554 N566 L568	N553-R590 CarbonylContact C-O 3.56Å; N553-R590 WeakPolarHBondContact CA-O 3.45Å; N553-R590 VanDerWaalsContact CB-O 3.3Å; N553-R590 WeakPolarHBondContact CB-O 3.43Å; Q554-R590 PolarHBondContact N-O 3.38Å; N566-R590 PolarHBondContact O-NH2 3.04Å; N566-R590 PolarHBondContact OD1-NH1 3.49Å; N566-R590 PolarHBondContact OD1-NH2 3.09Å; N566-R590 VanDerWaalsContact OD1-NH2 3.16Å; L568-R590 HydrophobicContact CD2-CB 3.9Å; L568-R590 HydrophobicContact CD2-CG 4.15Å
591	E	95.6	Very high	92.6	Very high	105 Å²	105	74.4 Å²	74.4	49%	0.491	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	144.6	-177.8	-178.5	165.7	-143	0	0	109.7	I552 N553 E589	I552-E591 CarbonylContact O-C 3.55Å; I552-E591 WeakPolarHBondContact O-CA 3.07Å; N553-E591 HydrophobicContact CB-CB 4Å; N553-E591 HydrophobicContact CB-CG 4.09Å; E589-E591 VanDerWaalsContact C-N 3.29Å; E589-E591 PolarHBondContact O-N 3.37Å
592	R	95.7	Very high	92.5	Very high	94 Å²	94	75 Å²	75	36%	0.355	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.4	171.8	179.4	179.5	-79.2	-171.1	0.6	108.4	S551 I552 L587 E589 M595	S551-R592 WeakPolarHBondContact CA-O 3.45Å; I552-R592 HydrophobicContact CG2-CB 3.94Å; I552-R592 PolarHBondContact N-O 3.34Å; I552-R592 PolarHBondContact O-N 2.86Å; L587-R592 HydrophobicContact CD1-CB 4.43Å; E589-R592 IonicContact OE1-CZ 3.49Å; E589-R592 IonicContact OE1-NE 2.81Å; E589-R592 IonicContact OE1-NH2 3.32Å; E589-R592 PolarHBondContact OE1-NH2 3.36Å; E589-R592 IonicContact OE2-NE 3.39Å; E589-R592 IonicContact OE2-NH2 3.74Å; R592-M595 WeakPolarHBondContact CD-SD 3.16Å; R592-M595 HydrophobicContact CG-CG 4.04Å; R592-M595 HydrophobicContact CG-SD 4.04Å
593	D	93.6	Very high	92.3	Very high	111 Å²	111	73.5 Å²	73.5	59%	0.594	38%	0.377	S	S	*	.			trans	-108.8	156.7	-177.1	-70.4	-46.4	0	0	0	112.6	S551 M595	S551-D593 WeakPolarHBondContact CB-OD1 3.45Å; D593-M595 PolarHBondContact O-N 3.22Å
594	G	90.3	Very high	92.2	Very high	50 Å²	50	70.1 Å²	70.1	52%	0.515	36%	0.359	S	S	.	.			trans	70.5	30.1	167.8	0	0	0	0	0	114.6	G550 D596	G550-G594 PolarHBondContact O-N 3.2Å; G594-D596 PolarHBondContact O-N 3.44Å
595	M	93.8	Very high	92.4	Very high	17 Å²	17	65.4 Å²	65.4	8%	0.084	33%	0.333	C	S	.	.			trans	-74.7	106.8	174.8	-63.5	-167	61.4	0	0	110.4	G550 I552 F585 R592 D593 E597 L598 I599	G550-M595 WeakPolarHBondContact O-CB 3.38Å; G550-M595 PolarHBondContact O-N 2.8Å; I552-M595 HydrophobicContact CG2-SD 3.64Å; F585-M595 HydrophobicContact CD1-CE 4Å; F585-M595 HydrophobicContact CD2-CE 3.82Å; F585-M595 HydrophobicContact CE1-CE 3.82Å; F585-M595 HydrophobicContact CE2-CE 3.64Å; F585-M595 HydrophobicContact CE2-SD 3.91Å; F585-M595 HydrophobicContact CG-CE 4Å; F585-M595 HydrophobicContact CZ-CE 3.64Å; F585-M595 HydrophobicContact CZ-SD 4.03Å; R592-M595 WeakPolarHBondContact CD-SD 3.16Å; R592-M595 HydrophobicContact CG-CG 4.04Å; R592-M595 HydrophobicContact CG-SD 4.04Å; D593-M595 PolarHBondContact O-N 3.22Å; M595-E597 PolarHBondContact O-N 2.97Å; M595-E597 VanDerWaalsContact O-N 3.11Å; M595-L598 HydrophobicContact CB-CB 4.18Å; M595-L598 HydrophobicContact CB-CD1 4.08Å; M595-L598 HydrophobicContact CB-CG 4.06Å; M595-L598 HydrophobicContact CE-CD1 4.41Å; M595-L598 HydrophobicContact CG-CD1 4.48Å; M595-L598 PolarHBondContact O-N 3.42Å; M595-L598 HydrophobicContact SD-CD1 3.88Å; M595-I599 PolarHBondContact O-N 2.81Å
596	D	91.6	Very high	92.5	Very high	104 Å²	104	63.9 Å²	63.9	56%	0.556	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26	-177.5	-91.6	-21.7	0	0	0	113.7	G594 K601	G594-D596 PolarHBondContact O-N 3.44Å; D596-K601 VanDerWaalsContact O-CE 3.26Å; D596-K601 WeakPolarHBondContact O-CE 3.15Å; D596-K601 PolarHBondContact O-NZ 3.42Å
597	E	89.8	Confident	92.8	Very high	100 Å²	100	60.2 Å²	60.2	47%	0.467	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.8	177.8	-53.8	84.1	-179.5	0	0	113	Y575 M595	Y575-E597 HydrophobicContact CE2-CB 3.91Å; Y575-E597 VanDerWaalsContact OH-CB 3.28Å; Y575-E597 WeakPolarHBondContact OH-CB 3.29Å; Y575-E597 WeakPolarHBondContact OH-CG 3.25Å; M595-E597 PolarHBondContact O-N 2.97Å; M595-E597 VanDerWaalsContact O-N 3.11Å
598	L	93.9	Very high	92.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-96	4.1	177.8	-59.5	-177.9	0	0	0	112.7	I545 T547 I552 Y575 F585 M595 I606	I545-L598 HydrophobicContact CG2-CB 4.4Å; I545-L598 HydrophobicContact CG2-CD1 4.41Å; T547-L598 VanDerWaalsContact CA-O 3.27Å; T547-L598 WeakPolarHBondContact CA-O 3.21Å; I552-L598 HydrophobicContact CB-CD1 3.84Å; I552-L598 HydrophobicContact CD1-CD1 4.06Å; I552-L598 HydrophobicContact CG1-CD1 4.47Å; I552-L598 HydrophobicContact CG2-CD1 4.09Å; Y575-L598 HydrophobicContact CD2-CD2 4.3Å; Y575-L598 HydrophobicContact CG-CD2 4.3Å; F585-L598 HydrophobicContact CE1-CD1 4.47Å; F585-L598 HydrophobicContact CE1-CD2 4.28Å; F585-L598 HydrophobicContact CZ-CD1 3.99Å; M595-L598 HydrophobicContact CB-CB 4.18Å; M595-L598 HydrophobicContact CB-CD1 4.08Å; M595-L598 HydrophobicContact CB-CG 4.06Å; M595-L598 HydrophobicContact CE-CD1 4.41Å; M595-L598 HydrophobicContact CG-CD1 4.48Å; M595-L598 PolarHBondContact O-N 3.42Å; M595-L598 HydrophobicContact SD-CD1 3.88Å; L598-I606 HydrophobicContact CD2-CG2 4.38Å; L598-I606 WeakPolarHBondContact O-CD1 3.23Å
599	I	94.6	Very high	93.2	Very high	40 Å²	40	58.4 Å²	58.4	21%	0.205	29%	0.293	C	S	.	.	S	Bend	trans	-91.7	121.8	174.5	-63	172.7	0	0	0	109.2	T547 M595 K601	T547-I599 WeakPolarHBondContact O-CA 3.41Å; M595-I599 PolarHBondContact O-N 2.81Å; I599-K601 HydrophobicContact CG2-CG 4.25Å; I599-K601 PolarHBondContact O-N 3.36Å
600	S	92.6	Very high	93.2	Very high	20 Å²	20	55.1 Å²	55.1	14%	0.14	28%	0.278	C	S	.	.			trans	-71.8	111.2	169.8	140.2	0	0	0	0	109.6	T547 E604 R627	T547-S600 PolarHBondContact O-N 3.28Å; S600-E604 WeakPolarHBondContact CB-O 3.34Å; S600-E604 PolarHBondContact OG-O 3Å; S600-R627 VanDerWaalsContact CB-NH1 3.34Å; S600-R627 PolarHBondContact OG-NH1 2.89Å
601	K	87.6	Confident	93.1	Very high	136 Å²	136	53.1 Å²	53.1	59%	0.591	28%	0.277	S	S	*	.	S	Bend	trans	-93.5	-28.3	-173.8	-69.2	170.3	-171.3	169.5	0	113.8	D596 I599 E604	D596-K601 VanDerWaalsContact O-CE 3.26Å; D596-K601 WeakPolarHBondContact O-CE 3.15Å; D596-K601 PolarHBondContact O-NZ 3.42Å; I599-K601 HydrophobicContact CG2-CG 4.25Å; I599-K601 PolarHBondContact O-N 3.36Å; K601-E604 PolarHBondContact N-OE1 3.2Å
602	K	85.4	Confident	93	Very high	181 Å²	181	48.3 Å²	48.3	79%	0.787	25%	0.254	S	S	*	.	S	Bend	trans	-124.2	12.9	-174.5	-57.2	177.2	-178.3	171.1	0	113	E604	K602-E604 WeakPolarHBondContact CA-OE2 3.31Å; K602-E604 VanDerWaalsContact CB-OE2 3.24Å; K602-E604 WeakPolarHBondContact CB-OE2 3.43Å; K602-E604 PolarHBondContact N-OE2 2.9Å
603	G	84.9	Confident	92.8	Very high	42 Å²	42	44.9 Å²	44.9	43%	0.433	24%	0.244	S	C	.	.	S	Bend	trans	83.7	14.5	-176.9	0	0	0	0	0	113.8	R627	G603-R627 WeakPolarHBondContact O-CD 3.49Å
604	E	92.1	Very high	92.9	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.075	22%	0.217	C	C	.	.			trans	-60.9	152.7	168.6	62.5	-83.5	-163.7	0	0	112	T577 N578 S600 K601 K602 R627	T577-E604 HydrophobicContact CG2-CG 4.34Å; N578-E604 WeakPolarHBondContact OD1-CB 3.41Å; S600-E604 WeakPolarHBondContact CB-O 3.34Å; S600-E604 PolarHBondContact OG-O 3Å; K601-E604 PolarHBondContact N-OE1 3.2Å; K602-E604 WeakPolarHBondContact CA-OE2 3.31Å; K602-E604 VanDerWaalsContact CB-OE2 3.24Å; K602-E604 WeakPolarHBondContact CB-OE2 3.43Å; K602-E604 PolarHBondContact N-OE2 2.9Å; E604-R627 PolarHBondContact O-NH1 3.21Å
605	W	96.3	Very high	93.2	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.038	19%	0.193	C	C	.	.			trans	-82.1	150	161.7	50.5	-102.6	0	0	0	109.8	T576 T577 N578 L607 N624 R627 L628 Q631 R638 I639	T576-W605 HydrophobicContact CG2-CH2 4.47Å; T576-W605 HydrophobicContact CG2-CZ3 4.04Å; T577-W605 WeakPolarHBondContact CA-O 3.06Å; N578-W605 HydrophobicContact CB-CD2 4.28Å; N578-W605 HydrophobicContact CB-CH2 4.44Å; N578-W605 HydrophobicContact CB-CZ2 3.69Å; W605-L607 HydrophobicContact CE3-CB 3.85Å; W605-L607 HydrophobicContact CZ3-CB 3.59Å; W605-L607 HydrophobicContact CZ3-CD2 4.26Å; W605-N624 WeakPolarHBondContact CA-OD1 3.19Å; W605-R627 HydrophobicContact CB-CB 3.9Å; W605-L628 HydrophobicContact CB-CD2 3.76Å; W605-L628 HydrophobicContact CB-CG 3.95Å; W605-L628 HydrophobicContact CD2-CD2 3.83Å; W605-L628 HydrophobicContact CE3-CD2 3.75Å; W605-L628 HydrophobicContact CG-CD2 3.87Å; W605-Q631 HydrophobicContact CZ2-CG 4.39Å; W605-Q631 VanDerWaalsContact NE1-OE1 3.11Å; W605-R638 HydrophobicContact CZ2-CB 4.46Å; W605-I639 HydrophobicContact CH2-CG1 4.34Å; W605-I639 HydrophobicContact CZ2-CG1 4.17Å
606	I	96.9	Very high	93.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.8	169.7	-64.6	168	0	0	0	107.5	T547 T577 L598 V608 Y620 N624	T547-I606 HydrophobicContact CG2-CB 4.12Å; T547-I606 HydrophobicContact CG2-CD1 3.89Å; T547-I606 HydrophobicContact CG2-CG1 4.4Å; T577-I606 HydrophobicContact CG2-CG1 4.01Å; L598-I606 HydrophobicContact CD2-CG2 4.38Å; L598-I606 WeakPolarHBondContact O-CD1 3.23Å; I606-V608 HydrophobicContact CG2-CG2 4.32Å; I606-Y620 WeakPolarHBondContact O-CE1 3.3Å; I606-N624 PolarHBondContact N-OD1 3.31Å; I606-N624 PolarHBondContact O-ND2 3.07Å
607	L	97.8	Very high	93.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.3	177.9	176.8	69.7	0	0	0	108.8	Y575 T576 W605 I610 L628 I639 N643 L647	Y575-L607 CarbonylContact C-O 3.57Å; Y575-L607 WeakPolarHBondContact CA-O 3.4Å; T576-L607 HydrophobicContact CG2-CB 4.15Å; T576-L607 HydrophobicContact CG2-CD2 4.23Å; T576-L607 PolarHBondContact N-O 3.5Å; T576-L607 PolarHBondContact O-N 3.39Å; W605-L607 HydrophobicContact CE3-CB 3.85Å; W605-L607 HydrophobicContact CZ3-CB 3.59Å; W605-L607 HydrophobicContact CZ3-CD2 4.26Å; L607-I610 HydrophobicContact CB-CD1 4.43Å; L607-I610 HydrophobicContact CD2-CD1 4Å; L607-I610 HydrophobicContact CG-CD1 3.99Å; L607-L628 HydrophobicContact CB-CD2 4.38Å; L607-L628 HydrophobicContact CD1-CD2 4.41Å; L607-I639 HydrophobicContact CD2-CG2 4.15Å; L607-N643 HydrophobicContact CD1-CB 4.19Å; L607-N643 HydrophobicContact CD2-CB 3.77Å; L607-N643 HydrophobicContact CG-CB 4.45Å; L607-L647 HydrophobicContact CD1-CD1 4.37Å; L607-L647 HydrophobicContact CD1-CD2 4.17Å; L607-L647 HydrophobicContact CD1-CG 4.38Å
608	V	97.9	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.1	-179.5	168.8	0	0	0	0	110.8	I545 I573 T574 I606 Y616 V618 Y620	I545-V608 HydrophobicContact CD1-CB 3.68Å; I545-V608 HydrophobicContact CD1-CG1 4.1Å; I545-V608 HydrophobicContact CD1-CG2 3.26Å; I573-V608 HydrophobicContact CG2-CG1 3.82Å; T574-V608 CarbonylContact O-C 3.57Å; T574-V608 VanDerWaalsContact O-CA 3.27Å; T574-V608 WeakPolarHBondContact O-CA 3.44Å; T574-V608 WeakPolarHBondContact O-CG1 3.33Å; I606-V608 HydrophobicContact CG2-CG2 4.32Å; V608-Y616 HydrophobicContact CG1-CE2 4.15Å; V608-V618 HydrophobicContact CB-CG1 4.01Å; V608-V618 HydrophobicContact CB-CG2 4.24Å; V608-V618 HydrophobicContact CG1-CG1 4.31Å; V608-V618 HydrophobicContact CG1-CG2 3.97Å; V608-Y620 PolarHBondContact N-OH 3.3Å
609	N	96.9	Very high	94.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	67.9	58.6	-174	-160.9	6.6	0	0	0	112	T574 N611 T612 T613 G614 Y616 V618 N643 Q646	T574-N609 PolarHBondContact O-N 3.43Å; T574-N609 WeakPolarHBondContact OG1-CA 3.29Å; N609-N611 PolarHBondContact O-N 3.17Å; N609-T612 WeakPolarHBondContact O-CA 3.39Å; N609-T612 PolarHBondContact O-N 3.35Å; N609-T612 WeakPolarHBondContact OD1-CA 3.26Å; N609-T613 PolarHBondContact OD1-N 3.41Å; N609-T613 VanDerWaalsContact OD1-N 3.1Å; N609-G614 PolarHBondContact ND2-O 2.78Å; N609-G614 PolarHBondContact OD1-N 3.31Å; N609-Y616 HydrophobicContact CB-CE2 3.73Å; N609-Y616 WeakPolarHBondContact CB-OH 3.49Å; N609-Y616 PolarHBondContact ND2-O 3.44Å; N609-Y616 VanDerWaalsContact ND2-O 3.15Å; N609-V618 HydrophobicContact CB-CG2 3.95Å; N609-N643 PolarHBondContact O-ND2 3.42Å; N609-Q646 PolarHBondContact O-OE1 2.97Å
610	I	95.4	Very high	94.6	Very high	16 Å²	16	26.1 Å²	26.1	8%	0.082	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-59.3	128.7	-176.6	-50.8	-51.4	0	0	0	110.1	T574 T576 P582 L607 T612 T613	T574-I610 PolarHBondContact OG1-N 3.18Å; T576-I610 HydrophobicContact CG2-CD1 3.42Å; T576-I610 VanDerWaalsContact CG2-CD1 3.42Å; T576-I610 HydrophobicContact CG2-CG1 4.38Å; P582-I610 HydrophobicContact CB-CG1 4.42Å; L607-I610 HydrophobicContact CB-CD1 4.43Å; L607-I610 HydrophobicContact CD2-CD1 4Å; L607-I610 HydrophobicContact CG-CD1 3.99Å; I610-T612 PolarHBondContact O-N 3.25Å; I610-T612 VanDerWaalsContact O-N 3.14Å; I610-T613 PolarHBondContact O-OG1 3.49Å
611	N	91.8	Very high	94.8	Very high	73 Å²	73	26.2 Å²	26.2	39%	0.39	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	56.2	20.8	-173.1	-60.4	-26.2	0	0	0	114.4	R479 N609 T613 M642 N643	R479-N611 PolarHBondContact NH2-O 3.07Å; N609-N611 PolarHBondContact O-N 3.17Å; N611-T613 HydrophobicContact CB-CG2 4.32Å; N611-T613 PolarHBondContact O-N 3.06Å; N611-T613 VanDerWaalsContact O-N 3.15Å; N611-M642 HydrophobicContact CB-SD 3.74Å; N611-M642 VanDerWaalsContact O-SD 3.32Å; N611-N643 PolarHBondContact N-OD1 2.89Å
612	T	93.6	Very high	95.2	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	53.8	40.8	174.2	-34.9	0	0	0	0	111.5	L434 R479 N609 I610 Q646	L434-T612 HydrophobicContact CD2-CG2 3.37Å; R479-T612 PolarHBondContact NH1-O 3.29Å; N609-T612 WeakPolarHBondContact O-CA 3.39Å; N609-T612 PolarHBondContact O-N 3.35Å; N609-T612 WeakPolarHBondContact OD1-CA 3.26Å; I610-T612 PolarHBondContact O-N 3.25Å; I610-T612 VanDerWaalsContact O-N 3.14Å; T612-Q646 HydrophobicContact CG2-CG 4.18Å
613	T	92.3	Very high	95.8	Very high	23 Å²	23	19.5 Å²	19.5	14%	0.141	11%	0.114	C	C	.	.			trans	-74.5	-27.5	-176.9	52.7	0	0	0	0	112.9	M480 E483 N609 I610 N611	M480-T613 WeakPolarHBondContact CA-O 3.21Å; M480-T613 WeakPolarHBondContact CB-O 3.31Å; E483-T613 HydrophobicContact CG-CG2 4.18Å; N609-T613 PolarHBondContact OD1-N 3.41Å; N609-T613 VanDerWaalsContact OD1-N 3.1Å; I610-T613 PolarHBondContact O-OG1 3.49Å; N611-T613 HydrophobicContact CB-CG2 4.32Å; N611-T613 PolarHBondContact O-N 3.06Å; N611-T613 VanDerWaalsContact O-N 3.15Å
614	G	94.9	Very high	96.4	Very high	3 Å²	3	17.5 Å²	17.5	3%	0.031	9%	0.093	C	C	.	.	S	Bend	trans	-89.8	141.6	174.7	0	0	0	0	0	112.8	N609 Y616	N609-G614 PolarHBondContact ND2-O 2.78Å; N609-G614 PolarHBondContact OD1-N 3.31Å; G614-Y616 PolarHBondContact O-N 2.86Å
615	Y	97.4	Very high	96.7	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.09	C	C	.	.	S	Bend	trans	-79.4	63.1	175	-170.8	-108	0	0	0	111.1	L434 A437 F438 D441 K473 M476 V477 W534 Y540	L434-Y615 HydrophobicContact CD1-CD2 3.56Å; L434-Y615 HydrophobicContact CD1-CE2 3.91Å; A437-Y615 HydrophobicContact CB-CE2 3.89Å; A437-Y615 WeakPolarHBondContact CB-OH 3.42Å; A437-Y615 PolarHBondContact O-OH 2.95Å; F438-Y615 HydrophobicContact CD1-CD2 4.18Å; F438-Y615 HydrophobicContact CD1-CE1 4.41Å; F438-Y615 AromaticContact CD1-CE2 3.56Å; F438-Y615 HydrophobicContact CD1-CE2 3.56Å; F438-Y615 AromaticContact CD1-CZ 3.69Å; F438-Y615 HydrophobicContact CE1-CD1 4.33Å; F438-Y615 AromaticContact CE1-CD2 3.61Å; F438-Y615 HydrophobicContact CE1-CD2 3.61Å; F438-Y615 HydrophobicContact CE1-CE1 4.23Å; F438-Y615 AromaticContact CE1-CE2 3.49Å; F438-Y615 HydrophobicContact CE1-CE2 3.49Å; F438-Y615 VanDerWaalsContact CE1-CE2 3.49Å; F438-Y615 HydrophobicContact CE1-CG 4.03Å; F438-Y615 AromaticContact CE1-CZ 3.81Å; F438-Y615 HydrophobicContact CZ-CD2 4.33Å; F438-Y615 HydrophobicContact CZ-CE2 4.49Å; D441-Y615 WeakPolarHBondContact OD2-CE1 3.45Å; D441-Y615 PolarHBondContact OD2-OH 3.37Å; K473-Y615 HydrophobicContact CD-CE1 3.94Å; K473-Y615 HydrophobicContact CG-CD1 4.43Å; K473-Y615 HydrophobicContact CG-CE1 3.74Å; K473-Y615 HydrophobicContact CG-CE2 4.31Å; M476-Y615 HydrophobicContact CB-CD2 3.67Å; M476-Y615 HydrophobicContact CB-CE2 4.19Å; M476-Y615 HydrophobicContact CG-CD2 4.19Å; M476-Y615 HydrophobicContact CG-CE2 4.41Å; V477-Y615 HydrophobicContact CG2-CD1 4.3Å; V477-Y615 HydrophobicContact CG2-CG 4.35Å; W534-Y615 HydrophobicContact CE3-CD1 4.19Å; W534-Y615 AromaticContact CZ3-CD1 3.98Å; W534-Y615 HydrophobicContact CZ3-CD1 3.98Å; W534-Y615 WeakPolarHBondContact CZ3-O 3.41Å; Y540-Y615 HydrophobicContact CD1-CE1 4.09Å; Y540-Y615 HydrophobicContact CG-CE1 4.13Å
616	Y	98	Very high	96.8	Very high	1 Å²	1	20 Å²	20	0%	0.004	11%	0.108	C	C	.	.			trans	-154.7	154.5	179.1	63.6	-93.4	0	0	0	112.1	P541 V543 I571 P572 I573 V608 N609 G614 V618	P541-Y616 WeakPolarHBondContact O-CA 3.3Å; P541-Y616 VanDerWaalsContact O-CB 3.32Å; P541-Y616 WeakPolarHBondContact O-CB 3.49Å; V543-Y616 HydrophobicContact CB-CD2 4.16Å; V543-Y616 HydrophobicContact CB-CE2 4.36Å; V543-Y616 HydrophobicContact CG2-CD2 3.61Å; V543-Y616 HydrophobicContact CG2-CE2 3.98Å; V543-Y616 HydrophobicContact CG2-CG 4.25Å; I571-Y616 HydrophobicContact CG2-CD1 3.38Å; I571-Y616 HydrophobicContact CG2-CE1 3.35Å; I571-Y616 HydrophobicContact CG2-CG 4.01Å; P572-Y616 PolarHBondContact O-OH 3.05Å; I573-Y616 HydrophobicContact CD1-CE1 4.49Å; I573-Y616 HydrophobicContact CD1-CE2 4.11Å; V608-Y616 HydrophobicContact CG1-CE2 4.15Å; N609-Y616 HydrophobicContact CB-CE2 3.73Å; N609-Y616 WeakPolarHBondContact CB-OH 3.49Å; N609-Y616 PolarHBondContact ND2-O 3.44Å; N609-Y616 VanDerWaalsContact ND2-O 3.15Å; G614-Y616 PolarHBondContact O-N 2.86Å; Y616-V618 HydrophobicContact CD2-CG2 4.05Å; Y616-V618 HydrophobicContact CE2-CG2 3.76Å
617	R	98.1	Very high	96.8	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	156.2	175.8	-66.1	-172.8	173.5	-75.3	1.2	111.7	F438 Y540 P541 V542 V543 D649 D650 N653	F438-R617 HydrophobicContact CD2-CG 4.48Å; F438-R617 HydrophobicContact CE2-CG 4.1Å; F438-R617 HydrophobicContact CZ-CG 4.31Å; Y540-R617 HydrophobicContact CD2-CG 4.39Å; Y540-R617 HydrophobicContact CE2-CG 3.67Å; Y540-R617 PolarHBondContact OH-NE 3.43Å; Y540-R617 VanDerWaalsContact OH-NE 3.08Å; P541-R617 PolarHBondContact O-N 3.28Å; P541-R617 VanDerWaalsContact O-N 3.1Å; V542-R617 CarbonylContact C-O 3.54Å; V542-R617 WeakPolarHBondContact CA-O 3.5Å; V542-R617 HydrophobicContact CB-CB 4.27Å; V542-R617 HydrophobicContact CG2-CB 4.29Å; V543-R617 PolarHBondContact N-O 3.09Å; R617-D649 IonicContact CZ-OD2 2.91Å; R617-D649 IonicContact NH1-OD2 3.96Å; R617-D649 PolarHBondContact NH1-OD2 3.38Å; R617-D649 IonicContact NH2-OD2 2.81Å; R617-D649 PolarHBondContact NH2-OD2 3.35Å; R617-D650 VanDerWaalsContact CB-OD1 3.32Å; R617-D650 WeakPolarHBondContact CB-OD1 3.35Å; R617-D650 WeakPolarHBondContact CG-OD1 3.36Å; R617-D650 IonicContact CZ-OD1 3.51Å; R617-D650 IonicContact NH1-OD1 3.76Å; R617-D650 PolarHBondContact NH1-OD1 3.21Å; R617-N653 VanDerWaalsContact NH2-CG 3.33Å; R617-N653 PolarHBondContact NH2-ND2 3.47Å; R617-N653 VanDerWaalsContact NH2-ND2 3.15Å
618	V	98.6	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131	178.8	-169.4	0	0	0	0	111.9	V543 I545 V608 N609 Y616 Y620 D650 L654	V543-V618 CarbonylContact O-C 3.54Å; V543-V618 WeakPolarHBondContact O-CA 3.46Å; I545-V618 HydrophobicContact CD1-CG1 3.64Å; V608-V618 HydrophobicContact CB-CG1 4.01Å; V608-V618 HydrophobicContact CB-CG2 4.24Å; V608-V618 HydrophobicContact CG1-CG1 4.31Å; V608-V618 HydrophobicContact CG1-CG2 3.97Å; N609-V618 HydrophobicContact CB-CG2 3.95Å; Y616-V618 HydrophobicContact CD2-CG2 4.05Å; Y616-V618 HydrophobicContact CE2-CG2 3.76Å; V618-Y620 HydrophobicContact CB-CE2 4.24Å; V618-Y620 HydrophobicContact CG1-CD1 4.32Å; V618-Y620 HydrophobicContact CG1-CD2 4.39Å; V618-Y620 HydrophobicContact CG1-CE1 3.64Å; V618-Y620 HydrophobicContact CG1-CE2 3.7Å; V618-Y620 WeakPolarHBondContact CG1-OH 3.38Å; V618-D650 PolarHBondContact N-OD2 2.73Å; V618-L654 WeakPolarHBondContact O-CD1 3.41Å
619	N	98.7	Very high	96.8	Very high	13 Å²	13	24 Å²	24	7%	0.07	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.4	170.3	-168.8	18	0	0	0	110.9	V542 V543 T544 I545 W625 L654 V660	V542-N619 HydrophobicContact CG2-CB 4.02Å; V543-N619 PolarHBondContact O-N 3.46Å; T544-N619 CarbonylContact C-O 3.43Å; T544-N619 WeakPolarHBondContact CA-O 3.3Å; T544-N619 HydrophobicContact CG2-CB 4.21Å; I545-N619 PolarHBondContact N-O 3.18Å; N619-W625 PolarHBondContact OD1-NE1 3.34Å; N619-L654 HydrophobicContact CB-CD1 3.73Å; N619-L654 HydrophobicContact CB-CD2 3.94Å; N619-V660 WeakPolarHBondContact OD1-CG1 3.48Å
620	Y	98.5	Very high	96.8	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	161.8	179.6	-49.5	-87.8	0	0	0	111.2	I545 I606 V608 V618 N624 W625 L628 L647	I545-Y620 HydrophobicContact CB-CD1 4.13Å; I545-Y620 HydrophobicContact CD1-CD1 3.93Å; I545-Y620 HydrophobicContact CD1-CE1 3.61Å; I545-Y620 CarbonylContact O-C 3.55Å; I545-Y620 VanDerWaalsContact O-CA 3.32Å; I545-Y620 WeakPolarHBondContact O-CA 3.41Å; I606-Y620 WeakPolarHBondContact O-CE1 3.3Å; V608-Y620 PolarHBondContact N-OH 3.3Å; V618-Y620 HydrophobicContact CB-CE2 4.24Å; V618-Y620 HydrophobicContact CG1-CD1 4.32Å; V618-Y620 HydrophobicContact CG1-CD2 4.39Å; V618-Y620 HydrophobicContact CG1-CE1 3.64Å; V618-Y620 HydrophobicContact CG1-CE2 3.7Å; V618-Y620 WeakPolarHBondContact CG1-OH 3.38Å; Y620-N624 WeakPolarHBondContact CD1-ND2 3.46Å; Y620-W625 HydrophobicContact CD2-CD2 4.03Å; Y620-W625 AromaticContact CD2-CE2 3.71Å; Y620-W625 HydrophobicContact CD2-CE3 4.39Å; Y620-W625 HydrophobicContact CD2-CH2 4.17Å; Y620-W625 AromaticContact CD2-CZ2 3.78Å; Y620-W625 HydrophobicContact CD2-CZ2 3.78Å; Y620-W625 HydrophobicContact CD2-CZ3 4.46Å; Y620-W625 HydrophobicContact CE2-CH2 4.32Å; Y620-W625 HydrophobicContact CE2-CZ2 4.3Å; Y620-W625 PolarHBondContact O-NE1 3.08Å; Y620-L628 HydrophobicContact CD2-CD1 3.99Å; Y620-L628 HydrophobicContact CE2-CD1 3.8Å; Y620-L628 HydrophobicContact CG-CD1 4.48Å; Y620-L647 HydrophobicContact CE2-CD2 4.21Å
621	N	97.6	Very high	96.8	Very high	22 Å²	22	32 Å²	32	12%	0.118	15%	0.154	C	C	.	.			trans	-62.6	152.6	162.1	60.7	-69.5	0	0	0	111	I545 N546 T547 E623 N624 W625	I545-N621 PolarHBondContact O-N 3.38Å; I545-N621 VanDerWaalsContact O-N 3.08Å; I545-N621 PolarHBondContact O-OD1 3.01Å; N546-N621 WeakPolarHBondContact CA-OD1 3.06Å; T547-N621 PolarHBondContact N-OD1 3.19Å; T547-N621 PolarHBondContact OG1-ND2 2.98Å; T547-N621 PolarHBondContact OG1-OD1 3.01Å; N621-E623 PolarHBondContact ND2-OE2 3.08Å; N621-E623 PolarHBondContact O-N 2.81Å; N621-E623 VanDerWaalsContact O-N 3.15Å; N621-N624 PolarHBondContact O-N 3.3Å; N621-W625 PolarHBondContact O-N 2.85Å
622	V	97.1	Very high	97.1	Very high	85 Å²	85	28.6 Å²	28.6	52%	0.515	14%	0.135	S	C	.	.	H	α-helix	trans	-54.6	-38.7	-171.5	177.2	0	0	0	0	112.4	N624 W625 D626	V622-N624 VanDerWaalsContact C-N 3.29Å; V622-N624 PolarHBondContact O-N 2.86Å; V622-W625 WeakPolarHBondContact O-CB 3.42Å; V622-W625 PolarHBondContact O-N 3.18Å; V622-D626 PolarHBondContact O-N 2.88Å
623	E	96.3	Very high	97.2	Very high	91 Å²	91	30.5 Å²	30.5	43%	0.425	14%	0.144	S	C	.	.	H	α-helix	trans	-63.9	-32.8	-179.5	-59.2	78.3	-174.2	0	0	113	N621 R627	N621-E623 PolarHBondContact ND2-OE2 3.08Å; N621-E623 PolarHBondContact O-N 2.81Å; N621-E623 VanDerWaalsContact O-N 3.15Å; E623-R627 WeakPolarHBondContact O-CD 3.25Å; E623-R627 VanDerWaalsContact O-CG 3.26Å; E623-R627 WeakPolarHBondContact O-CG 3.27Å; E623-R627 PolarHBondContact O-N 3.08Å
624	N	98	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-79.7	-38.3	176.5	-169.2	69.7	0	0	0	111.4	T547 W605 I606 Y620 N621 V622 D626 R627 L628	T547-N624 HydrophobicContact CG2-CB 3.71Å; W605-N624 WeakPolarHBondContact CA-OD1 3.19Å; I606-N624 PolarHBondContact N-OD1 3.31Å; I606-N624 PolarHBondContact O-ND2 3.07Å; Y620-N624 WeakPolarHBondContact CD1-ND2 3.46Å; N621-N624 PolarHBondContact O-N 3.3Å; V622-N624 VanDerWaalsContact C-N 3.29Å; V622-N624 PolarHBondContact O-N 2.86Å; N624-D626 VanDerWaalsContact C-N 3.34Å; N624-D626 PolarHBondContact O-N 3.01Å; N624-R627 PolarHBondContact O-N 3.39Å; N624-L628 WeakPolarHBondContact ND2-CD1 3.24Å; N624-L628 WeakPolarHBondContact O-CG 3.46Å; N624-L628 PolarHBondContact O-N 2.99Å
625	W	98.4	Very high	97.4	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-54	-51.5	169.4	-85.7	121.3	0	0	0	111	N619 Y620 N621 V622 R627 L628 L629 L647 D650 A651 L654 L664	N619-W625 PolarHBondContact OD1-NE1 3.34Å; Y620-W625 HydrophobicContact CD2-CD2 4.03Å; Y620-W625 AromaticContact CD2-CE2 3.71Å; Y620-W625 HydrophobicContact CD2-CE3 4.39Å; Y620-W625 HydrophobicContact CD2-CH2 4.17Å; Y620-W625 AromaticContact CD2-CZ2 3.78Å; Y620-W625 HydrophobicContact CD2-CZ2 3.78Å; Y620-W625 HydrophobicContact CD2-CZ3 4.46Å; Y620-W625 HydrophobicContact CE2-CH2 4.32Å; Y620-W625 HydrophobicContact CE2-CZ2 4.3Å; Y620-W625 PolarHBondContact O-NE1 3.08Å; N621-W625 PolarHBondContact O-N 2.85Å; V622-W625 WeakPolarHBondContact O-CB 3.42Å; V622-W625 PolarHBondContact O-N 3.18Å; W625-R627 VanDerWaalsContact C-N 3.25Å; W625-R627 PolarHBondContact O-N 3.46Å; W625-L628 PolarHBondContact O-N 2.94Å; W625-L628 VanDerWaalsContact O-N 3.13Å; W625-L629 VanDerWaalsContact O-CG 3.32Å; W625-L629 WeakPolarHBondContact O-CG 3.48Å; W625-L629 PolarHBondContact O-N 2.69Å; W625-L647 HydrophobicContact CH2-CD2 4.19Å; W625-L647 HydrophobicContact CZ3-CB 4.49Å; W625-L647 HydrophobicContact CZ3-CD2 3.7Å; W625-D650 HydrophobicContact CH2-CB 4.41Å; W625-A651 HydrophobicContact CH2-CB 4.18Å; W625-A651 HydrophobicContact CZ3-CB 4.28Å; W625-L654 HydrophobicContact CZ2-CD1 3.75Å; W625-L664 HydrophobicContact CB-CD1 3.93Å; W625-L664 HydrophobicContact CD2-CD2 3.97Å; W625-L664 HydrophobicContact CE3-CD2 4.19Å; W625-L664 HydrophobicContact CG-CD1 3.9Å; W625-L664 HydrophobicContact CG-CD2 4.17Å
626	D	97.6	Very high	97.2	Very high	79 Å²	79	36.7 Å²	36.7	42%	0.422	18%	0.179	S	C	.	.	H	α-helix	trans	-58	-37.3	179.4	-75.7	-24.7	0	0	0	112.3	V622 N624 W630	V622-D626 PolarHBondContact O-N 2.88Å; N624-D626 VanDerWaalsContact C-N 3.34Å; N624-D626 PolarHBondContact O-N 3.01Å; D626-W630 WeakPolarHBondContact O-CB 3.28Å; D626-W630 PolarHBondContact O-N 2.9Å
627	R	97.1	Very high	97	Very high	75 Å²	75	41.1 Å²	41.1	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-70.8	-40.6	176.6	-69.2	168.7	-169.3	173.6	4.3	113	S600 G603 E604 W605 E623 N624 W625 Q631	S600-R627 VanDerWaalsContact CB-NH1 3.34Å; S600-R627 PolarHBondContact OG-NH1 2.89Å; G603-R627 WeakPolarHBondContact O-CD 3.49Å; E604-R627 PolarHBondContact O-NH1 3.21Å; W605-R627 HydrophobicContact CB-CB 3.9Å; E623-R627 WeakPolarHBondContact O-CD 3.25Å; E623-R627 VanDerWaalsContact O-CG 3.26Å; E623-R627 WeakPolarHBondContact O-CG 3.27Å; E623-R627 PolarHBondContact O-N 3.08Å; N624-R627 PolarHBondContact O-N 3.39Å; W625-R627 VanDerWaalsContact C-N 3.25Å; W625-R627 PolarHBondContact O-N 3.46Å; R627-Q631 WeakPolarHBondContact O-CB 3.48Å; R627-Q631 PolarHBondContact O-N 2.61Å
628	L	98.1	Very high	96.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-46.9	176.1	-72.9	167.3	0	0	0	110.5	W605 L607 Y620 N624 W625 W630 Q631 L632 I639 L647	W605-L628 HydrophobicContact CB-CD2 3.76Å; W605-L628 HydrophobicContact CB-CG 3.95Å; W605-L628 HydrophobicContact CD2-CD2 3.83Å; W605-L628 HydrophobicContact CE3-CD2 3.75Å; W605-L628 HydrophobicContact CG-CD2 3.87Å; L607-L628 HydrophobicContact CB-CD2 4.38Å; L607-L628 HydrophobicContact CD1-CD2 4.41Å; Y620-L628 HydrophobicContact CD2-CD1 3.99Å; Y620-L628 HydrophobicContact CE2-CD1 3.8Å; Y620-L628 HydrophobicContact CG-CD1 4.48Å; N624-L628 WeakPolarHBondContact ND2-CD1 3.24Å; N624-L628 WeakPolarHBondContact O-CG 3.46Å; N624-L628 PolarHBondContact O-N 2.99Å; W625-L628 PolarHBondContact O-N 2.94Å; W625-L628 VanDerWaalsContact O-N 3.13Å; L628-W630 PolarHBondContact O-N 3.32Å; L628-Q631 WeakPolarHBondContact O-CB 3.46Å; L628-Q631 PolarHBondContact O-N 3.48Å; L628-Q631 VanDerWaalsContact O-N 3.16Å; L628-L632 WeakPolarHBondContact O-CG 3.49Å; L628-L632 PolarHBondContact O-N 3.41Å; L628-I639 HydrophobicContact CD2-CD1 4.17Å; L628-L647 HydrophobicContact CB-CD1 4.36Å; L628-L647 HydrophobicContact CD1-CD2 3.86Å; L628-L647 HydrophobicContact CD2-CD1 4.41Å
629	L	97.8	Very high	96.7	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-40.2	177.5	-62.8	-170.5	0	0	0	111.8	W625 Q631 L632 E633 K667	W625-L629 VanDerWaalsContact O-CG 3.32Å; W625-L629 WeakPolarHBondContact O-CG 3.48Å; W625-L629 PolarHBondContact O-N 2.69Å; L629-Q631 VanDerWaalsContact C-N 3.33Å; L629-Q631 PolarHBondContact O-N 2.7Å; L629-L632 HydrophobicContact CD2-CD1 4.09Å; L629-L632 PolarHBondContact O-N 2.87Å; L629-E633 PolarHBondContact O-N 3.45Å; L629-K667 HydrophobicContact CD1-CB 3.93Å
630	W	97	Very high	96.5	Very high	166 Å²	166	50.1 Å²	50.1	63%	0.629	25%	0.249	S	C	*	.	H	α-helix	trans	-63.9	-38	173.1	-178	84.1	0	0	0	112.3	D626 L628 E633 T634	D626-W630 WeakPolarHBondContact O-CB 3.28Å; D626-W630 PolarHBondContact O-N 2.9Å; L628-W630 PolarHBondContact O-N 3.32Å; W630-E633 PolarHBondContact O-N 3.48Å; W630-T634 HydrophobicContact CD2-CG2 4Å; W630-T634 HydrophobicContact CG-CG2 4.4Å; W630-T634 HydrophobicContact CH2-CG2 4.36Å; W630-T634 HydrophobicContact CZ2-CG2 3.76Å; W630-T634 WeakPolarHBondContact O-CB 3.26Å; W630-T634 WeakPolarHBondContact O-CG2 3.41Å; W630-T634 PolarHBondContact O-N 3.46Å; W630-T634 PolarHBondContact O-OG1 3.18Å
631	Q	96.9	Very high	96.2	Very high	19 Å²	19	52.1 Å²	52.1	9%	0.089	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-42.2	174.4	-177	65.5	76.2	0	0	111.3	W605 R627 L628 L629 T634 N635 R638 I639	W605-Q631 HydrophobicContact CZ2-CG 4.39Å; W605-Q631 VanDerWaalsContact NE1-OE1 3.11Å; R627-Q631 WeakPolarHBondContact O-CB 3.48Å; R627-Q631 PolarHBondContact O-N 2.61Å; L628-Q631 WeakPolarHBondContact O-CB 3.46Å; L628-Q631 PolarHBondContact O-N 3.48Å; L628-Q631 VanDerWaalsContact O-N 3.16Å; L629-Q631 VanDerWaalsContact C-N 3.33Å; L629-Q631 PolarHBondContact O-N 2.7Å; Q631-T634 PolarHBondContact O-N 3.35Å; Q631-N635 PolarHBondContact NE2-O 2.82Å; Q631-N635 CarbonylContact O-C 3.48Å; Q631-N635 PolarHBondContact O-N 2.76Å; Q631-R638 HydrophobicContact CG-CB 3.95Å; Q631-I639 HydrophobicContact CB-CD1 4.03Å; Q631-I639 HydrophobicContact CG-CD1 3.86Å; Q631-I639 HydrophobicContact CG-CG1 4.04Å
632	L	97.1	Very high	96	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-45.7	174.8	-70	174	0	0	0	111.7	L628 L629 T634 P636 I639 R644 L647 F671	L628-L632 WeakPolarHBondContact O-CG 3.49Å; L628-L632 PolarHBondContact O-N 3.41Å; L629-L632 HydrophobicContact CD2-CD1 4.09Å; L629-L632 PolarHBondContact O-N 2.87Å; L632-T634 PolarHBondContact O-N 2.83Å; L632-P636 HydrophobicContact CD2-CB 4.44Å; L632-P636 WeakPolarHBondContact O-CB 3.29Å; L632-P636 VanDerWaalsContact O-CD 3.32Å; L632-P636 WeakPolarHBondContact O-CD 3.25Å; L632-I639 HydrophobicContact CD2-CB 4.39Å; L632-I639 HydrophobicContact CD2-CD1 3.72Å; L632-I639 HydrophobicContact CG-CD1 3.86Å; L632-R644 HydrophobicContact CD2-CB 4.07Å; L632-R644 HydrophobicContact CD2-CG 3.65Å; L632-L647 HydrophobicContact CD1-CB 4.43Å; L632-L647 HydrophobicContact CD1-CD1 4.07Å; L632-L647 HydrophobicContact CG-CD1 4.49Å; L632-F671 HydrophobicContact CB-CB 3.95Å; L632-F671 HydrophobicContact CB-CD1 3.9Å; L632-F671 HydrophobicContact CB-CD2 4.33Å; L632-F671 HydrophobicContact CB-CG 3.8Å; L632-F671 HydrophobicContact CD1-CD1 3.98Å; L632-F671 HydrophobicContact CD1-CE1 3.91Å; L632-F671 HydrophobicContact CD1-CZ 4.49Å; L632-F671 HydrophobicContact CG-CD1 4.43Å
633	E	96.2	Very high	95.9	Very high	43 Å²	43	48.4 Å²	48.4	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-70.7	-28.9	-179.7	-75.5	-169.3	-125.4	0	0	114.1	L629 W630 R670 F671 R673	L629-E633 PolarHBondContact O-N 3.45Å; W630-E633 PolarHBondContact O-N 3.48Å; E633-R670 HydrophobicContact CG-CB 4.31Å; E633-R670 IonicContact OE1-CZ 3.37Å; E633-R670 IonicContact OE1-NE 3.75Å; E633-R670 IonicContact OE1-NH1 3.95Å; E633-R670 PolarHBondContact OE1-NH1 3Å; E633-R670 IonicContact OE2-CZ 2.83Å; E633-R670 IonicContact OE2-NH1 3.44Å; E633-R670 PolarHBondContact OE2-NH1 3.12Å; E633-R670 IonicContact OE2-NH2 3.06Å; E633-F671 HydrophobicContact CG-CB 4.04Å; E633-R673 IonicContact OE2-CZ 3.03Å; E633-R673 IonicContact OE2-NH1 3.79Å; E633-R673 IonicContact OE2-NH2 3.97Å; E633-R673 PolarHBondContact OE2-NH2 3.25Å
634	T	95.5	Very high	95.9	Very high	72 Å²	72	45.4 Å²	45.4	44%	0.442	22%	0.221	S	C	.	.	H	α-helix	trans	-97.6	-38.2	-174.8	54.7	0	0	0	0	113.8	W630 Q631 L632	W630-T634 HydrophobicContact CD2-CG2 4Å; W630-T634 HydrophobicContact CG-CG2 4.4Å; W630-T634 HydrophobicContact CH2-CG2 4.36Å; W630-T634 HydrophobicContact CZ2-CG2 3.76Å; W630-T634 WeakPolarHBondContact O-CB 3.26Å; W630-T634 WeakPolarHBondContact O-CG2 3.41Å; W630-T634 PolarHBondContact O-N 3.46Å; W630-T634 PolarHBondContact O-OG1 3.18Å; Q631-T634 PolarHBondContact O-N 3.35Å; L632-T634 PolarHBondContact O-N 2.83Å
635	N	94.8	Very high	95.8	Very high	62 Å²	62	45.5 Å²	45.5	33%	0.332	22%	0.222	S	C	.	.			trans	-160.3	87.8	175.9	-175	-7.9	0	0	0	109.8	Q631 S637 R638	Q631-N635 PolarHBondContact NE2-O 2.82Å; Q631-N635 CarbonylContact O-C 3.48Å; Q631-N635 PolarHBondContact O-N 2.76Å; N635-S637 PolarHBondContact O-N 2.77Å; N635-S637 PolarHBondContact OD1-N 3.24Å; N635-S637 PolarHBondContact OD1-OG 3.35Å; N635-R638 HydrophobicContact CB-CG 4.34Å; N635-R638 PolarHBondContact O-N 2.7Å
636	P	94.3	Very high	95.7	Very high	22 Å²	22	45.9 Å²	45.9	14%	0.143	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-65.7	-24.5	-174.9	25.4	-32.7	0	0	0	112.6	L632 R638 I639 R644	L632-P636 HydrophobicContact CD2-CB 4.44Å; L632-P636 WeakPolarHBondContact O-CB 3.29Å; L632-P636 VanDerWaalsContact O-CD 3.32Å; L632-P636 WeakPolarHBondContact O-CD 3.25Å; P636-R638 PolarHBondContact O-N 3.03Å; P636-I639 PolarHBondContact O-N 3.31Å; P636-I639 VanDerWaalsContact O-O 3.12Å; P636-R644 WeakPolarHBondContact O-CD 3.45Å
637	S	93.1	Very high	95.7	Very high	95 Å²	95	42.1 Å²	42.1	66%	0.664	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-67.2	-6.2	-179.2	88.6	0	0	0	0	114.3	N635 I639	N635-S637 PolarHBondContact O-N 2.77Å; N635-S637 PolarHBondContact OD1-N 3.24Å; N635-S637 PolarHBondContact OD1-OG 3.35Å; S637-I639 VanDerWaalsContact C-N 3.31Å
638	R	94.1	Very high	95.8	Very high	160 Å²	160	38.6 Å²	38.6	60%	0.604	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-80	-14.9	171.7	-67.2	-61.4	-167.6	171.7	1.8	113.1	W605 Q631 N635 P636	W605-R638 HydrophobicContact CZ2-CB 4.46Å; Q631-R638 HydrophobicContact CG-CB 3.95Å; N635-R638 HydrophobicContact CB-CG 4.34Å; N635-R638 PolarHBondContact O-N 2.7Å; P636-R638 PolarHBondContact O-N 3.03Å
639	I	95.7	Very high	95.7	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	19%	0.192	C	C	.	.	S	Bend	trans	-108.1	132.5	174.7	-66.7	168.9	0	0	0	107.2	W605 L607 L628 Q631 L632 P636 S637 N643 R644 L647	W605-I639 HydrophobicContact CH2-CG1 4.34Å; W605-I639 HydrophobicContact CZ2-CG1 4.17Å; L607-I639 HydrophobicContact CD2-CG2 4.15Å; L628-I639 HydrophobicContact CD2-CD1 4.17Å; Q631-I639 HydrophobicContact CB-CD1 4.03Å; Q631-I639 HydrophobicContact CG-CD1 3.86Å; Q631-I639 HydrophobicContact CG-CG1 4.04Å; L632-I639 HydrophobicContact CD2-CB 4.39Å; L632-I639 HydrophobicContact CD2-CD1 3.72Å; L632-I639 HydrophobicContact CG-CD1 3.86Å; P636-I639 PolarHBondContact O-N 3.31Å; P636-I639 VanDerWaalsContact O-O 3.12Å; S637-I639 VanDerWaalsContact C-N 3.31Å; I639-N643 HydrophobicContact CG2-CB 3.78Å; I639-R644 HydrophobicContact CB-CG 4.02Å; I639-R644 HydrophobicContact CG2-CG 3.76Å; I639-L647 HydrophobicContact CD1-CD1 3.97Å; I639-L647 HydrophobicContact CG2-CD1 4.11Å
640	P	94.5	Very high	95.7	Very high	40 Å²	40	38.5 Å²	38.5	26%	0.26	19%	0.19	S	C	.	.			trans	-54.6	146.7	177.9	-24.8	33.2	0	0	0	112.4	M642 N643 R644	P640-M642 PolarHBondContact O-N 2.7Å; P640-N643 HydrophobicContact CB-CB 4.33Å; P640-N643 WeakPolarHBondContact CB-OD1 3.33Å; P640-N643 PolarHBondContact O-N 3.47Å; P640-R644 PolarHBondContact O-N 3.34Å
641	L	93.1	Very high	95.8	Very high	49 Å²	49	30.6 Å²	30.6	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-50.2	-51.3	-175.3	172	64	0	0	0	112.8	E427 N643 R644 A645 A677 L679 P680	E427-L641 WeakPolarHBondContact OE1-CD2 3.46Å; L641-N643 VanDerWaalsContact C-N 3.34Å; L641-N643 PolarHBondContact O-N 3.44Å; L641-R644 WeakPolarHBondContact O-CB 3.43Å; L641-R644 PolarHBondContact O-N 2.98Å; L641-A645 PolarHBondContact O-N 2.82Å; L641-A677 HydrophobicContact CD1-CB 3.55Å; L641-L679 HydrophobicContact CD1-CB 4.21Å; L641-L679 HydrophobicContact CD1-CD1 4.49Å; L641-L679 HydrophobicContact CD2-CD1 3.96Å; L641-L679 HydrophobicContact CG-CB 4.41Å; L641-L679 HydrophobicContact CG-CD1 3.83Å; L641-L679 HydrophobicContact CG-CG 4.46Å; L641-P680 HydrophobicContact CD1-CG 4.14Å
642	M	92.5	Very high	95.8	Very high	30 Å²	30	29.9 Å²	29.9	15%	0.148	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-40.4	177.5	-76	170.8	151.5	0	0	112.4	I430 N611 P640 R644 A645 Q646 L679	I430-M642 HydrophobicContact CD1-CE 3.98Å; I430-M642 HydrophobicContact CG1-CE 3.38Å; I430-M642 HydrophobicContact CG1-SD 4.43Å; N611-M642 HydrophobicContact CB-SD 3.74Å; N611-M642 VanDerWaalsContact O-SD 3.32Å; P640-M642 PolarHBondContact O-N 2.7Å; M642-R644 VanDerWaalsContact C-N 3.32Å; M642-R644 PolarHBondContact O-N 3.43Å; M642-A645 WeakPolarHBondContact O-CB 3.4Å; M642-A645 PolarHBondContact O-N 3.27Å; M642-Q646 PolarHBondContact O-N 2.89Å; M642-L679 HydrophobicContact CG-CD1 4.19Å
643	N	95.9	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.5	-27.1	179	-68.8	106.9	0	0	0	112.8	L607 N609 N611 I639 P640 L641 A645 Q646 L647	L607-N643 HydrophobicContact CD1-CB 4.19Å; L607-N643 HydrophobicContact CD2-CB 3.77Å; L607-N643 HydrophobicContact CG-CB 4.45Å; N609-N643 PolarHBondContact O-ND2 3.42Å; N611-N643 PolarHBondContact N-OD1 2.89Å; I639-N643 HydrophobicContact CG2-CB 3.78Å; P640-N643 HydrophobicContact CB-CB 4.33Å; P640-N643 WeakPolarHBondContact CB-OD1 3.33Å; P640-N643 PolarHBondContact O-N 3.47Å; L641-N643 VanDerWaalsContact C-N 3.34Å; L641-N643 PolarHBondContact O-N 3.44Å; N643-A645 VanDerWaalsContact C-N 3.33Å; N643-Q646 PolarHBondContact ND2-OE1 3.41Å; N643-Q646 PolarHBondContact O-N 3.02Å; N643-L647 WeakPolarHBondContact O-CB 3.46Å; N643-L647 WeakPolarHBondContact O-CG 3.2Å; N643-L647 PolarHBondContact O-N 3.24Å
644	R	96.8	Very high	95.8	Very high	28 Å²	28	28 Å²	28	11%	0.106	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-44.9	170.6	-62	-170.3	-70.9	-177.6	-4.6	110.7	L632 P636 I639 P640 L641 M642 V648 E675 P680	L632-R644 HydrophobicContact CD2-CB 4.07Å; L632-R644 HydrophobicContact CD2-CG 3.65Å; P636-R644 WeakPolarHBondContact O-CD 3.45Å; I639-R644 HydrophobicContact CB-CG 4.02Å; I639-R644 HydrophobicContact CG2-CG 3.76Å; P640-R644 PolarHBondContact O-N 3.34Å; L641-R644 WeakPolarHBondContact O-CB 3.43Å; L641-R644 PolarHBondContact O-N 2.98Å; M642-R644 VanDerWaalsContact C-N 3.32Å; M642-R644 PolarHBondContact O-N 3.43Å; R644-V648 PolarHBondContact O-N 3.27Å; R644-E675 IonicContact CZ-OE1 2.67Å; R644-E675 IonicContact CZ-OE2 3.54Å; R644-E675 VanDerWaalsContact CZ-OE2 3.25Å; R644-E675 IonicContact NE-OE2 3.41Å; R644-E675 IonicContact NH1-OE1 2.75Å; R644-E675 PolarHBondContact NH1-OE1 3.39Å; R644-E675 IonicContact NH1-OE2 3.92Å; R644-E675 PolarHBondContact NH1-OE2 3.31Å; R644-E675 IonicContact NH2-OE1 3.55Å; R644-P680 HydrophobicContact CB-CB 4.22Å; R644-P680 HydrophobicContact CB-CG 3.8Å
645	A	95.3	Very high	95.8	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.017	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-43.8	175	0	0	0	0	0	112	L641 M642 N643 L647 V648 D649 L679 S683	L641-A645 PolarHBondContact O-N 2.82Å; M642-A645 WeakPolarHBondContact O-CB 3.4Å; M642-A645 PolarHBondContact O-N 3.27Å; N643-A645 VanDerWaalsContact C-N 3.33Å; A645-L647 PolarHBondContact O-N 2.78Å; A645-V648 PolarHBondContact O-N 2.85Å; A645-D649 PolarHBondContact O-N 3.03Å; A645-L679 HydrophobicContact CB-CB 4.04Å; A645-L679 WeakPolarHBondContact CB-O 3.35Å; A645-S683 PolarHBondContact O-OG 3.34Å
646	Q	96.6	Very high	95.6	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.037	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-42.6	176.9	-172.9	-160.8	-8.1	0	0	112.3	N609 T612 M642 N643 V648 D649 D650	N609-Q646 PolarHBondContact O-OE1 2.97Å; T612-Q646 HydrophobicContact CG2-CG 4.18Å; M642-Q646 PolarHBondContact O-N 2.89Å; N643-Q646 PolarHBondContact ND2-OE1 3.41Å; N643-Q646 PolarHBondContact O-N 3.02Å; Q646-V648 VanDerWaalsContact C-N 3.27Å; Q646-V648 PolarHBondContact O-N 2.86Å; Q646-D649 PolarHBondContact O-N 2.98Å; Q646-D650 WeakPolarHBondContact CG-OD2 3.34Å; Q646-D650 PolarHBondContact NE2-OD2 3.16Å; Q646-D650 VanDerWaalsContact O-CB 3.27Å; Q646-D650 WeakPolarHBondContact O-CB 3.4Å; Q646-D650 PolarHBondContact O-N 3.34Å
647	L	98.2	Very high	95.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-37	-178.7	-74.8	169.5	0	0	0	112.1	L607 Y620 W625 L628 L632 I639 N643 A645 A651	L607-L647 HydrophobicContact CD1-CD1 4.37Å; L607-L647 HydrophobicContact CD1-CD2 4.17Å; L607-L647 HydrophobicContact CD1-CG 4.38Å; Y620-L647 HydrophobicContact CE2-CD2 4.21Å; W625-L647 HydrophobicContact CH2-CD2 4.19Å; W625-L647 HydrophobicContact CZ3-CB 4.49Å; W625-L647 HydrophobicContact CZ3-CD2 3.7Å; L628-L647 HydrophobicContact CB-CD1 4.36Å; L628-L647 HydrophobicContact CD1-CD2 3.86Å; L628-L647 HydrophobicContact CD2-CD1 4.41Å; L632-L647 HydrophobicContact CD1-CB 4.43Å; L632-L647 HydrophobicContact CD1-CD1 4.07Å; L632-L647 HydrophobicContact CG-CD1 4.49Å; I639-L647 HydrophobicContact CD1-CD1 3.97Å; I639-L647 HydrophobicContact CG2-CD1 4.11Å; N643-L647 WeakPolarHBondContact O-CB 3.46Å; N643-L647 WeakPolarHBondContact O-CG 3.2Å; N643-L647 PolarHBondContact O-N 3.24Å; A645-L647 PolarHBondContact O-N 2.78Å; L647-A651 WeakPolarHBondContact O-CB 3.39Å; L647-A651 PolarHBondContact O-N 3.27Å; L647-A651 VanDerWaalsContact O-N 3.15Å
648	V	97.8	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.3	-54.9	172.4	178.6	0	0	0	0	109.3	R644 A645 Q646 D650 A651 F652 F671 A684	R644-V648 PolarHBondContact O-N 3.27Å; A645-V648 PolarHBondContact O-N 2.85Å; Q646-V648 VanDerWaalsContact C-N 3.27Å; Q646-V648 PolarHBondContact O-N 2.86Å; V648-D650 PolarHBondContact O-N 3Å; V648-A651 PolarHBondContact O-N 3.31Å; V648-A651 VanDerWaalsContact O-N 3.15Å; V648-F652 HydrophobicContact CG1-CD2 3.87Å; V648-F652 HydrophobicContact CG1-CE2 3.85Å; V648-F652 VanDerWaalsContact O-CD2 3.3Å; V648-F652 WeakPolarHBondContact O-CD2 3.47Å; V648-F652 PolarHBondContact O-N 3.09Å; V648-F652 VanDerWaalsContact O-N 3.07Å; V648-F671 HydrophobicContact CG2-CE1 3.76Å; V648-F671 HydrophobicContact CG2-CZ 4.1Å; V648-A684 HydrophobicContact CG1-CB 3.98Å
649	D	96.9	Very high	95.4	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.032	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-46.6	-176.3	-171.5	62.1	0	0	0	113	H435 R617 A645 Q646 F652 N653 S683 N687	H435-D649 IonicContact CD2-OD2 3.86Å; H435-D649 IonicContact CE1-OD1 2.9Å; H435-D649 IonicContact NE2-OD1 3.5Å; H435-D649 IonicContact NE2-OD2 3.9Å; R617-D649 IonicContact CZ-OD2 2.91Å; R617-D649 IonicContact NH1-OD2 3.96Å; R617-D649 PolarHBondContact NH1-OD2 3.38Å; R617-D649 IonicContact NH2-OD2 2.81Å; R617-D649 PolarHBondContact NH2-OD2 3.35Å; A645-D649 PolarHBondContact O-N 3.03Å; Q646-D649 PolarHBondContact O-N 2.98Å; D649-F652 PolarHBondContact O-N 3.41Å; D649-N653 WeakPolarHBondContact O-CB 3.36Å; D649-N653 PolarHBondContact O-N 2.89Å; D649-N653 PolarHBondContact O-ND2 3.04Å; D649-N653 PolarHBondContact OD1-ND2 3.42Å; D649-N653 VanDerWaalsContact OD1-ND2 3.09Å; D649-S683 PolarHBondContact N-OG 2.66Å; D649-N687 WeakPolarHBondContact CA-ND2 3.44Å; D649-N687 PolarHBondContact OD1-ND2 3.39Å; D649-N687 PolarHBondContact OD1-OD1 2.81Å
650	D	98.2	Very high	95.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.011	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-45.8	175.9	-79.9	-13.5	0	0	0	110.8	R617 V618 W625 Q646 V648 F652 N653 L654	R617-D650 VanDerWaalsContact CB-OD1 3.32Å; R617-D650 WeakPolarHBondContact CB-OD1 3.35Å; R617-D650 WeakPolarHBondContact CG-OD1 3.36Å; R617-D650 IonicContact CZ-OD1 3.51Å; R617-D650 IonicContact NH1-OD1 3.76Å; R617-D650 PolarHBondContact NH1-OD1 3.21Å; V618-D650 PolarHBondContact N-OD2 2.73Å; W625-D650 HydrophobicContact CH2-CB 4.41Å; Q646-D650 WeakPolarHBondContact CG-OD2 3.34Å; Q646-D650 PolarHBondContact NE2-OD2 3.16Å; Q646-D650 VanDerWaalsContact O-CB 3.27Å; Q646-D650 WeakPolarHBondContact O-CB 3.4Å; Q646-D650 PolarHBondContact O-N 3.34Å; V648-D650 PolarHBondContact O-N 3Å; D650-F652 PolarHBondContact O-N 2.84Å; D650-N653 PolarHBondContact O-N 2.98Å; D650-L654 HydrophobicContact CB-CD1 4.31Å; D650-L654 WeakPolarHBondContact O-CB 3.5Å; D650-L654 VanDerWaalsContact O-CD1 3.3Å; D650-L654 WeakPolarHBondContact O-CD1 3.39Å; D650-L654 WeakPolarHBondContact O-CG 3.42Å; D650-L654 PolarHBondContact O-N 3.41Å
651	A	98.3	Very high	95.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-44.8	-179	0	0	0	0	0	112.2	W625 L647 V648 A655 L664 A665	W625-A651 HydrophobicContact CH2-CB 4.18Å; W625-A651 HydrophobicContact CZ3-CB 4.28Å; L647-A651 WeakPolarHBondContact O-CB 3.39Å; L647-A651 PolarHBondContact O-N 3.27Å; L647-A651 VanDerWaalsContact O-N 3.15Å; V648-A651 PolarHBondContact O-N 3.31Å; V648-A651 VanDerWaalsContact O-N 3.15Å; A651-A655 WeakPolarHBondContact O-CB 3.41Å; A651-A655 PolarHBondContact O-N 2.96Å; A651-L664 HydrophobicContact CB-CD2 4.07Å; A651-A665 HydrophobicContact CB-CB 4.33Å; A651-A665 WeakPolarHBondContact O-CB 3.39Å
652	F	97.4	Very high	95.7	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.018	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-45.9	178.4	-86.1	-97.1	0	0	0	112.6	V648 D649 D650 A655 R656 A665 L666 T669 N687 L688 F691	V648-F652 HydrophobicContact CG1-CD2 3.87Å; V648-F652 HydrophobicContact CG1-CE2 3.85Å; V648-F652 VanDerWaalsContact O-CD2 3.3Å; V648-F652 WeakPolarHBondContact O-CD2 3.47Å; V648-F652 PolarHBondContact O-N 3.09Å; V648-F652 VanDerWaalsContact O-N 3.07Å; D649-F652 PolarHBondContact O-N 3.41Å; D650-F652 PolarHBondContact O-N 2.84Å; F652-A655 WeakPolarHBondContact O-CB 3.31Å; F652-A655 PolarHBondContact O-N 3.49Å; F652-R656 PolarHBondContact O-N 3.24Å; F652-A665 HydrophobicContact CD1-CB 4.31Å; F652-A665 HydrophobicContact CD2-CB 4.08Å; F652-A665 HydrophobicContact CE2-CB 4.39Å; F652-A665 WeakPolarHBondContact CE2-O 3.46Å; F652-A665 HydrophobicContact CG-CB 4.04Å; F652-L666 HydrophobicContact CE1-CD2 4.44Å; F652-L666 HydrophobicContact CZ-CD2 4.4Å; F652-T669 HydrophobicContact CE2-CG2 3.56Å; F652-T669 HydrophobicContact CZ-CG2 3.64Å; F652-N687 HydrophobicContact CB-CB 3.77Å; F652-N687 VanDerWaalsContact CB-OD1 3.24Å; F652-N687 WeakPolarHBondContact CB-OD1 3.26Å; F652-N687 HydrophobicContact CD1-CB 3.75Å; F652-N687 HydrophobicContact CD2-CB 4Å; F652-N687 HydrophobicContact CE1-CB 4.33Å; F652-N687 HydrophobicContact CG-CB 3.58Å; F652-L688 HydrophobicContact CE1-CD2 3.96Å; F652-L688 HydrophobicContact CE1-CG 4.2Å; F652-L688 HydrophobicContact CZ-CD2 3.93Å; F652-L688 HydrophobicContact CZ-CG 4.05Å; F652-F691 HydrophobicContact CD1-CD2 4.14Å; F652-F691 AromaticContact CD1-CE2 3.45Å; F652-F691 HydrophobicContact CD1-CE2 3.45Å; F652-F691 VanDerWaalsContact CD1-CE2 3.45Å; F652-F691 AromaticContact CD1-CZ 3.94Å; F652-F691 HydrophobicContact CD1-CZ 3.94Å; F652-F691 HydrophobicContact CE1-CD2 4.01Å; F652-F691 AromaticContact CE1-CE2 3.59Å; F652-F691 HydrophobicContact CE1-CE2 3.59Å; F652-F691 AromaticContact CE1-CZ 3.87Å; F652-F691 HydrophobicContact CE1-CZ 3.87Å
653	N	95.8	Very high	95.9	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-70.3	-37.3	-179.8	-76.5	-74.6	0	0	0	112	F557 Y559 R617 D649 D650 A655 R656 A657 N687	F557-N653 HydrophobicContact CE1-CB 4.49Å; F557-N653 HydrophobicContact CZ-CB 3.85Å; F557-N653 WeakPolarHBondContact CZ-O 3.35Å; Y559-N653 HydrophobicContact CE1-CB 4.47Å; Y559-N653 WeakPolarHBondContact CE1-OD1 3.23Å; Y559-N653 PolarHBondContact OH-OD1 2.94Å; R617-N653 VanDerWaalsContact NH2-CG 3.33Å; R617-N653 PolarHBondContact NH2-ND2 3.47Å; R617-N653 VanDerWaalsContact NH2-ND2 3.15Å; D649-N653 WeakPolarHBondContact O-CB 3.36Å; D649-N653 PolarHBondContact O-N 2.89Å; D649-N653 PolarHBondContact O-ND2 3.04Å; D649-N653 PolarHBondContact OD1-ND2 3.42Å; D649-N653 VanDerWaalsContact OD1-ND2 3.09Å; D650-N653 PolarHBondContact O-N 2.98Å; N653-A655 VanDerWaalsContact C-N 3.31Å; N653-A655 PolarHBondContact O-N 3.07Å; N653-R656 WeakPolarHBondContact O-CB 3.41Å; N653-R656 PolarHBondContact O-N 3.29Å; N653-A657 WeakPolarHBondContact O-CB 3.22Å; N653-A657 PolarHBondContact O-N 3.06Å; N653-N687 PolarHBondContact ND2-OD1 3.18Å; N653-N687 VanDerWaalsContact ND2-OD1 3.16Å
654	L	97	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-37.6	171.5	-70.5	167.8	0	0	0	111.9	V542 F557 V618 N619 W625 D650 A657 K658 Q659 V660	V542-L654 HydrophobicContact CG2-CD2 3.71Å; F557-L654 HydrophobicContact CD2-CD2 4.45Å; F557-L654 HydrophobicContact CE2-CD2 4.09Å; V618-L654 WeakPolarHBondContact O-CD1 3.41Å; N619-L654 HydrophobicContact CB-CD1 3.73Å; N619-L654 HydrophobicContact CB-CD2 3.94Å; W625-L654 HydrophobicContact CZ2-CD1 3.75Å; D650-L654 HydrophobicContact CB-CD1 4.31Å; D650-L654 WeakPolarHBondContact O-CB 3.5Å; D650-L654 VanDerWaalsContact O-CD1 3.3Å; D650-L654 WeakPolarHBondContact O-CD1 3.39Å; D650-L654 WeakPolarHBondContact O-CG 3.42Å; D650-L654 PolarHBondContact O-N 3.41Å; L654-A657 CarbonylContact O-C 3.51Å; L654-A657 PolarHBondContact O-N 3.02Å; L654-K658 PolarHBondContact O-N 3.05Å; L654-Q659 HydrophobicContact CB-CB 4.26Å; L654-Q659 HydrophobicContact CD2-CB 3.93Å; L654-Q659 HydrophobicContact CD2-CG 4.26Å; L654-Q659 PolarHBondContact O-N 3.18Å; L654-V660 HydrophobicContact CB-CB 4.49Å; L654-V660 HydrophobicContact CB-CG1 4.14Å; L654-V660 HydrophobicContact CB-CG2 3.67Å; L654-V660 HydrophobicContact CD1-CG1 4.36Å
655	A	95.2	Very high	96	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.025	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-44.5	174.8	0	0	0	0	0	111.3	A651 F652 N653 A657 K658 V660 V662 A665	A651-A655 WeakPolarHBondContact O-CB 3.41Å; A651-A655 PolarHBondContact O-N 2.96Å; F652-A655 WeakPolarHBondContact O-CB 3.31Å; F652-A655 PolarHBondContact O-N 3.49Å; N653-A655 VanDerWaalsContact C-N 3.31Å; N653-A655 PolarHBondContact O-N 3.07Å; A655-A657 PolarHBondContact O-N 3.5Å; A655-K658 WeakPolarHBondContact O-CA 3.41Å; A655-K658 PolarHBondContact O-N 3.12Å; A655-V660 HydrophobicContact CB-CG2 3.97Å; A655-V662 HydrophobicContact CB-CB 4.47Å; A655-A665 HydrophobicContact CB-CB 3.85Å
656	R	91.1	Very high	96.1	Very high	31 Å²	31	16.4 Å²	16.4	12%	0.117	8%	0.083	C	C	.	.	H	α-helix	trans	-55.5	-39.9	171.7	-111.3	177.8	74.3	-178.2	6.8	112	Y559 F652 N653 K658 Y690	Y559-R656 HydrophobicContact CD1-CB 3.9Å; Y559-R656 HydrophobicContact CE1-CB 4.03Å; Y559-R656 VanDerWaalsContact CE1-NE 3.32Å; Y559-R656 PolarHBondContact OH-NH1 3.13Å; F652-R656 PolarHBondContact O-N 3.24Å; N653-R656 WeakPolarHBondContact O-CB 3.41Å; N653-R656 PolarHBondContact O-N 3.29Å; R656-K658 VanDerWaalsContact C-N 3.28Å; R656-K658 PolarHBondContact O-N 3.19Å; R656-Y690 HydrophobicContact CG-CD1 4.45Å; R656-Y690 HydrophobicContact CG-CE1 4.08Å
657	A	91.3	Very high	96.2	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.025	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	7.5	176.3	0	0	0	0	0	114.4	F557 L558 N653 L654 A655 Q659	F557-A657 HydrophobicContact CD2-CB 4.49Å; F557-A657 HydrophobicContact CE2-CB 3.66Å; F557-A657 HydrophobicContact CZ-CB 3.8Å; L558-A657 WeakPolarHBondContact O-CB 3.19Å; N653-A657 WeakPolarHBondContact O-CB 3.22Å; N653-A657 PolarHBondContact O-N 3.06Å; L654-A657 CarbonylContact O-C 3.51Å; L654-A657 PolarHBondContact O-N 3.02Å; A655-A657 PolarHBondContact O-N 3.5Å; A657-Q659 VanDerWaalsContact C-N 3.25Å; A657-Q659 HydrophobicContact CB-CG 4Å; A657-Q659 WeakPolarHBondContact O-CG 3.5Å; A657-Q659 PolarHBondContact O-N 3.37Å
658	K	91.9	Very high	96.1	Very high	77 Å²	77	19.7 Å²	19.7	34%	0.335	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	31.4	178.5	-44.5	-175.5	-161.1	-175.7	0	114.7	L654 A655 R656 E929	L654-K658 PolarHBondContact O-N 3.05Å; A655-K658 WeakPolarHBondContact O-CA 3.41Å; A655-K658 PolarHBondContact O-N 3.12Å; R656-K658 VanDerWaalsContact C-N 3.28Å; R656-K658 PolarHBondContact O-N 3.19Å; K658-E929 WeakPolarHBondContact CD-OE2 3.48Å; K658-E929 WeakPolarHBondContact CE-OE2 3.36Å; K658-E929 IonicContact NZ-OE1 3.66Å; K658-E929 PolarHBondContact NZ-OE1 2.7Å; K658-E929 IonicContact NZ-OE2 3.4Å; K658-E929 PolarHBondContact NZ-OE2 2.91Å
659	Q	94	Very high	96.1	Very high	39 Å²	39	19.7 Å²	19.7	18%	0.182	10%	0.097	C	C	.	.	S	Bend	trans	-96.5	-21.3	178.9	-50.4	-167.4	32.8	0	0	112.6	K555 L654 A657	K555-Q659 VanDerWaalsContact NZ-NE2 3.18Å; L654-Q659 HydrophobicContact CB-CB 4.26Å; L654-Q659 HydrophobicContact CD2-CB 3.93Å; L654-Q659 HydrophobicContact CD2-CG 4.26Å; L654-Q659 PolarHBondContact O-N 3.18Å; A657-Q659 VanDerWaalsContact C-N 3.25Å; A657-Q659 HydrophobicContact CB-CG 4Å; A657-Q659 WeakPolarHBondContact O-CG 3.5Å; A657-Q659 PolarHBondContact O-N 3.37Å
660	V	96.1	Very high	96.1	Very high	23 Å²	23	22.7 Å²	22.7	14%	0.139	11%	0.108	C	C	.	.	S	Bend	trans	-135.1	164.1	170.3	-57.9	0	0	0	0	108.9	N619 L654 A655 L664	N619-V660 WeakPolarHBondContact OD1-CG1 3.48Å; L654-V660 HydrophobicContact CB-CB 4.49Å; L654-V660 HydrophobicContact CB-CG1 4.14Å; L654-V660 HydrophobicContact CB-CG2 3.67Å; L654-V660 HydrophobicContact CD1-CG1 4.36Å; A655-V660 HydrophobicContact CB-CG2 3.97Å; V660-L664 HydrophobicContact CB-CD1 4.42Å; V660-L664 HydrophobicContact CB-CD2 4.44Å; V660-L664 HydrophobicContact CG2-CD2 4.3Å
661	D	96	Very high	96.1	Very high	96 Å²	96	22.7 Å²	22.7	51%	0.513	11%	0.108	S	C	.	.			trans	-70.7	139.9	175.7	-169.2	-71.1	0	0	0	110.8	T663 L664 A665	D661-T663 PolarHBondContact O-N 2.85Å; D661-T663 WeakPolarHBondContact OD1-CA 3.46Å; D661-T663 VanDerWaalsContact OD1-CB 3.22Å; D661-T663 WeakPolarHBondContact OD1-CB 3.45Å; D661-T663 WeakPolarHBondContact OD1-CG2 3.42Å; D661-T663 PolarHBondContact OD1-N 2.83Å; D661-T663 PolarHBondContact OD1-OG1 3.28Å; D661-L664 WeakPolarHBondContact O-CA 3.49Å; D661-L664 VanDerWaalsContact O-CB 3.24Å; D661-L664 WeakPolarHBondContact O-CB 3.38Å; D661-L664 PolarHBondContact O-N 3.33Å; D661-A665 PolarHBondContact O-N 2.85Å
662	V	96.6	Very high	96	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.03	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-30.8	178.3	69.6	0	0	0	0	112.6	A655 L664 A665 L666 F691 W926 N930 A933 V934	A655-V662 HydrophobicContact CB-CB 4.47Å; V662-L664 VanDerWaalsContact C-N 3.27Å; V662-L664 PolarHBondContact O-N 2.86Å; V662-A665 WeakPolarHBondContact O-CB 3.5Å; V662-A665 PolarHBondContact O-N 3.31Å; V662-L666 WeakPolarHBondContact O-CG 3.21Å; V662-L666 PolarHBondContact O-N 3.45Å; V662-F691 HydrophobicContact CG2-CE1 3.83Å; V662-F691 HydrophobicContact CG2-CZ 3.75Å; V662-W926 HydrophobicContact CG2-CZ2 4.33Å; V662-N930 WeakPolarHBondContact CB-OD1 3.1Å; V662-N930 HydrophobicContact CG1-CB 4.45Å; V662-N930 WeakPolarHBondContact CG1-OD1 3.41Å; V662-A933 HydrophobicContact CG1-CB 4.02Å; V662-V934 HydrophobicContact CG1-CG2 4.12Å; V662-V934 HydrophobicContact CG2-CG2 3.79Å
663	T	96.8	Very high	95.9	Very high	30 Å²	30	27.1 Å²	27.1	18%	0.184	13%	0.125	C	C	.	.	H	α-helix	trans	-69.9	-23.4	175.3	68.6	0	0	0	0	112.8	D661 K667 W937	D661-T663 PolarHBondContact O-N 2.85Å; D661-T663 WeakPolarHBondContact OD1-CA 3.46Å; D661-T663 VanDerWaalsContact OD1-CB 3.22Å; D661-T663 WeakPolarHBondContact OD1-CB 3.45Å; D661-T663 WeakPolarHBondContact OD1-CG2 3.42Å; D661-T663 PolarHBondContact OD1-N 2.83Å; D661-T663 PolarHBondContact OD1-OG1 3.28Å; T663-K667 WeakPolarHBondContact O-CB 3.4Å; T663-K667 WeakPolarHBondContact O-CG 3.27Å; T663-K667 PolarHBondContact O-N 3.44Å; T663-W937 HydrophobicContact CG2-CB 4.4Å; T663-W937 HydrophobicContact CG2-CG 4.43Å
664	L	97.8	Very high	95.7	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	15%	0.147	C	C	.	.	H	α-helix	trans	-69.6	-43.6	170.9	-174.4	155.9	0	0	0	110.1	W625 A651 V660 D661 V662 K667 S668	W625-L664 HydrophobicContact CB-CD1 3.93Å; W625-L664 HydrophobicContact CD2-CD2 3.97Å; W625-L664 HydrophobicContact CE3-CD2 4.19Å; W625-L664 HydrophobicContact CG-CD1 3.9Å; W625-L664 HydrophobicContact CG-CD2 4.17Å; A651-L664 HydrophobicContact CB-CD2 4.07Å; V660-L664 HydrophobicContact CB-CD1 4.42Å; V660-L664 HydrophobicContact CB-CD2 4.44Å; V660-L664 HydrophobicContact CG2-CD2 4.3Å; D661-L664 WeakPolarHBondContact O-CA 3.49Å; D661-L664 VanDerWaalsContact O-CB 3.24Å; D661-L664 WeakPolarHBondContact O-CB 3.38Å; D661-L664 PolarHBondContact O-N 3.33Å; V662-L664 VanDerWaalsContact C-N 3.27Å; V662-L664 PolarHBondContact O-N 2.86Å; L664-K667 WeakPolarHBondContact O-CB 3.48Å; L664-K667 PolarHBondContact O-N 2.9Å; L664-S668 PolarHBondContact O-N 3.37Å; L664-S668 VanDerWaalsContact O-N 3.13Å
665	A	97.6	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-48.1	172.9	0	0	0	0	0	111.6	A651 F652 A655 D661 V662 K667 S668	A651-A665 HydrophobicContact CB-CB 4.33Å; A651-A665 WeakPolarHBondContact O-CB 3.39Å; F652-A665 HydrophobicContact CD1-CB 4.31Å; F652-A665 HydrophobicContact CD2-CB 4.08Å; F652-A665 HydrophobicContact CE2-CB 4.39Å; F652-A665 WeakPolarHBondContact CE2-O 3.46Å; F652-A665 HydrophobicContact CG-CB 4.04Å; A655-A665 HydrophobicContact CB-CB 3.85Å; D661-A665 PolarHBondContact O-N 2.85Å; V662-A665 WeakPolarHBondContact O-CB 3.5Å; V662-A665 PolarHBondContact O-N 3.31Å; A665-K667 VanDerWaalsContact C-N 3.34Å; A665-K667 PolarHBondContact O-N 3.39Å; A665-S668 VanDerWaalsContact O-CB 3.25Å; A665-S668 WeakPolarHBondContact O-CB 3.25Å; A665-S668 PolarHBondContact O-N 3.4Å; A665-S668 PolarHBondContact O-OG 2.85Å
666	L	98	Very high	95.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-34.7	176.7	-63.8	172.1	0	0	0	112.7	F652 V662 S668 T669 F691 V934 W937 F938	F652-L666 HydrophobicContact CE1-CD2 4.44Å; F652-L666 HydrophobicContact CZ-CD2 4.4Å; V662-L666 WeakPolarHBondContact O-CG 3.21Å; V662-L666 PolarHBondContact O-N 3.45Å; L666-S668 PolarHBondContact O-N 2.84Å; L666-T669 PolarHBondContact O-N 3.24Å; L666-T669 PolarHBondContact O-OG1 3.4Å; L666-F691 HydrophobicContact CD2-CD1 4.32Å; L666-F691 HydrophobicContact CD2-CE1 3.92Å; L666-F691 HydrophobicContact CG-CE1 4.42Å; L666-V934 HydrophobicContact CD1-CG1 4.44Å; L666-V934 HydrophobicContact CD1-CG2 4.36Å; L666-W937 HydrophobicContact CB-CD2 3.66Å; L666-W937 VanDerWaalsContact CB-CE2 3.42Å; L666-W937 HydrophobicContact CB-CE3 3.94Å; L666-W937 HydrophobicContact CB-CG 4.24Å; L666-W937 HydrophobicContact CB-CH2 3.8Å; L666-W937 HydrophobicContact CB-CZ2 3.52Å; L666-W937 HydrophobicContact CB-CZ3 4.01Å; L666-W937 HydrophobicContact CD1-CB 3.94Å; L666-W937 HydrophobicContact CD1-CD2 3.68Å; L666-W937 HydrophobicContact CD1-CE3 3.81Å; L666-W937 HydrophobicContact CD1-CG 3.72Å; L666-W937 HydrophobicContact CG-CD2 4.28Å; L666-W937 HydrophobicContact CG-CE3 4.33Å; L666-W937 WeakPolarHBondContact O-CH2 3.36Å; L666-W937 VanDerWaalsContact O-CZ2 3.26Å; L666-W937 WeakPolarHBondContact O-CZ2 3.34Å; L666-F938 HydrophobicContact CD2-CE1 4.31Å; L666-F938 HydrophobicContact CD2-CE2 4.33Å; L666-F938 HydrophobicContact CD2-CZ 3.72Å
667	K	97.5	Very high	95.8	Very high	77 Å²	77	32.8 Å²	32.8	34%	0.335	17%	0.167	S	C	.	.	H	α-helix	trans	-61.2	-31.4	171.8	-77.3	167.8	-170.3	175.2	0	112.2	L629 T663 L664 A665 T669 R670	L629-K667 HydrophobicContact CD1-CB 3.93Å; T663-K667 WeakPolarHBondContact O-CB 3.4Å; T663-K667 WeakPolarHBondContact O-CG 3.27Å; T663-K667 PolarHBondContact O-N 3.44Å; L664-K667 WeakPolarHBondContact O-CB 3.48Å; L664-K667 PolarHBondContact O-N 2.9Å; A665-K667 VanDerWaalsContact C-N 3.34Å; A665-K667 PolarHBondContact O-N 3.39Å; K667-T669 PolarHBondContact O-N 2.99Å; K667-T669 VanDerWaalsContact O-N 3.15Å; K667-R670 WeakPolarHBondContact O-CB 3.38Å; K667-R670 WeakPolarHBondContact O-CG 3.35Å; K667-R670 PolarHBondContact O-N 2.82Å; K667-R670 VanDerWaalsContact O-N 3.14Å
668	S	97.6	Very high	95.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	178.4	81.5	0	0	0	0	113.4	L664 A665 L666 F671	L664-S668 PolarHBondContact O-N 3.37Å; L664-S668 VanDerWaalsContact O-N 3.13Å; A665-S668 VanDerWaalsContact O-CB 3.25Å; A665-S668 WeakPolarHBondContact O-CB 3.25Å; A665-S668 PolarHBondContact O-N 3.4Å; A665-S668 PolarHBondContact O-OG 2.85Å; L666-S668 PolarHBondContact O-N 2.84Å; S668-F671 WeakPolarHBondContact O-CD1 3.45Å; S668-F671 WeakPolarHBondContact O-CE1 3.31Å
669	T	97.8	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.7	178.3	62.5	0	0	0	0	113.8	F652 L666 K667 F671 L672 A684 L688 Y707 Q711	F652-T669 HydrophobicContact CE2-CG2 3.56Å; F652-T669 HydrophobicContact CZ-CG2 3.64Å; L666-T669 PolarHBondContact O-N 3.24Å; L666-T669 PolarHBondContact O-OG1 3.4Å; K667-T669 PolarHBondContact O-N 2.99Å; K667-T669 VanDerWaalsContact O-N 3.15Å; T669-F671 PolarHBondContact O-N 3.22Å; T669-L672 HydrophobicContact CG2-CD1 4.24Å; T669-L672 VanDerWaalsContact O-CB 3.26Å; T669-L672 WeakPolarHBondContact O-CB 3.5Å; T669-L672 VanDerWaalsContact O-CG 3.26Å; T669-L672 WeakPolarHBondContact O-CG 3.47Å; T669-L672 PolarHBondContact O-N 2.85Å; T669-L672 VanDerWaalsContact O-N 3.08Å; T669-A684 HydrophobicContact CG2-CB 4.36Å; T669-L688 HydrophobicContact CG2-CD1 4.32Å; T669-Y707 PolarHBondContact OG1-OH 3.11Å; T669-Q711 PolarHBondContact O-OE1 3.46Å
670	R	97.1	Very high	96	Very high	70 Å²	70	28 Å²	28	26%	0.264	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	-173.3	-69.6	173.8	75.3	-129.5	-7.2	114.5	E633 K667 L672 R673 W937 E941	E633-R670 HydrophobicContact CG-CB 4.31Å; E633-R670 IonicContact OE1-CZ 3.37Å; E633-R670 IonicContact OE1-NE 3.75Å; E633-R670 IonicContact OE1-NH1 3.95Å; E633-R670 PolarHBondContact OE1-NH1 3Å; E633-R670 IonicContact OE2-CZ 2.83Å; E633-R670 IonicContact OE2-NH1 3.44Å; E633-R670 PolarHBondContact OE2-NH1 3.12Å; E633-R670 IonicContact OE2-NH2 3.06Å; K667-R670 WeakPolarHBondContact O-CB 3.38Å; K667-R670 WeakPolarHBondContact O-CG 3.35Å; K667-R670 PolarHBondContact O-N 2.82Å; K667-R670 VanDerWaalsContact O-N 3.14Å; R670-L672 VanDerWaalsContact C-N 3.28Å; R670-R673 WeakPolarHBondContact O-CG 3.25Å; R670-W937 HydrophobicContact CG-CZ2 4.36Å; R670-E941 IonicContact NE-OE2 2.76Å
671	F	97.1	Very high	96	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.9	178.5	78.8	-83.1	0	0	0	112.9	L632 E633 V648 S668 T669 R673 S674 E675 P680	L632-F671 HydrophobicContact CB-CB 3.95Å; L632-F671 HydrophobicContact CB-CD1 3.9Å; L632-F671 HydrophobicContact CB-CD2 4.33Å; L632-F671 HydrophobicContact CB-CG 3.8Å; L632-F671 HydrophobicContact CD1-CD1 3.98Å; L632-F671 HydrophobicContact CD1-CE1 3.91Å; L632-F671 HydrophobicContact CD1-CZ 4.49Å; L632-F671 HydrophobicContact CG-CD1 4.43Å; E633-F671 HydrophobicContact CG-CB 4.04Å; V648-F671 HydrophobicContact CG2-CE1 3.76Å; V648-F671 HydrophobicContact CG2-CZ 4.1Å; S668-F671 WeakPolarHBondContact O-CD1 3.45Å; S668-F671 WeakPolarHBondContact O-CE1 3.31Å; T669-F671 PolarHBondContact O-N 3.22Å; F671-R673 PolarHBondContact O-N 3Å; F671-S674 PolarHBondContact O-N 2.94Å; F671-S674 PolarHBondContact O-OG 3.1Å; F671-E675 HydrophobicContact CD2-CB 4.08Å; F671-E675 HydrophobicContact CD2-CG 4.46Å; F671-E675 HydrophobicContact CE2-CB 4.02Å; F671-E675 HydrophobicContact CE2-CG 3.95Å; F671-E675 WeakPolarHBondContact CE2-OE2 3.43Å; F671-E675 PolarHBondContact O-N 2.98Å; F671-P680 HydrophobicContact CE2-CB 4.01Å; F671-P680 HydrophobicContact CZ-CB 3.81Å
672	L	97	Very high	95.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60	-31.2	-175.8	-66.2	173.9	0	0	0	112.7	T669 R670 S674 E675 P680 W681 A684	T669-L672 HydrophobicContact CG2-CD1 4.24Å; T669-L672 VanDerWaalsContact O-CB 3.26Å; T669-L672 WeakPolarHBondContact O-CB 3.5Å; T669-L672 VanDerWaalsContact O-CG 3.26Å; T669-L672 WeakPolarHBondContact O-CG 3.47Å; T669-L672 PolarHBondContact O-N 2.85Å; T669-L672 VanDerWaalsContact O-N 3.08Å; R670-L672 VanDerWaalsContact C-N 3.28Å; L672-S674 PolarHBondContact O-N 3.06Å; L672-E675 HydrophobicContact CD2-CB 4.27Å; L672-E675 HydrophobicContact CD2-CG 4.48Å; L672-E675 PolarHBondContact O-N 3.2Å; L672-P680 HydrophobicContact CD2-CB 4.49Å; L672-W681 HydrophobicContact CB-CD2 4.5Å; L672-W681 HydrophobicContact CB-CH2 3.91Å; L672-W681 HydrophobicContact CB-CZ2 3.77Å; L672-W681 HydrophobicContact CB-CZ3 4.34Å; L672-W681 HydrophobicContact CD1-CE3 4.34Å; L672-W681 HydrophobicContact CD1-CZ3 4.31Å; L672-W681 HydrophobicContact CD2-CD2 4.09Å; L672-W681 HydrophobicContact CD2-CG 4.25Å; L672-W681 WeakPolarHBondContact O-CZ2 3.38Å; L672-A684 HydrophobicContact CD1-CB 3.33Å; L672-A684 HydrophobicContact CD2-CB 4.34Å; L672-A684 HydrophobicContact CG-CB 4.42Å
673	R	94.3	Very high	95.8	Very high	94 Å²	94	24.6 Å²	24.6	36%	0.355	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-49.3	-18.4	171.1	72.1	-175.7	177.1	-132.6	-13.6	115.3	E633 R670 F671 Q711 E714	E633-R673 IonicContact OE2-CZ 3.03Å; E633-R673 IonicContact OE2-NH1 3.79Å; E633-R673 IonicContact OE2-NH2 3.97Å; E633-R673 PolarHBondContact OE2-NH2 3.25Å; R670-R673 WeakPolarHBondContact O-CG 3.25Å; F671-R673 PolarHBondContact O-N 3Å; R673-Q711 WeakPolarHBondContact CA-O 3.41Å; R673-E714 WeakPolarHBondContact O-CB 3.36Å
674	S	92.8	Very high	95.8	Very high	69 Å²	69	23.1 Å²	23.1	48%	0.483	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-127.9	5.2	179.4	54.3	0	0	0	0	113.6	F671 L672	F671-S674 PolarHBondContact O-N 2.94Å; F671-S674 PolarHBondContact O-OG 3.1Å; L672-S674 PolarHBondContact O-N 3.06Å
675	E	96.1	Very high	95.6	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.042	12%	0.12	C	C	.	.			trans	-90.1	139.6	179.5	-175.8	61.6	-106.3	0	0	110.3	R644 F671 L672 A677 P680 W681	R644-E675 IonicContact CZ-OE1 2.67Å; R644-E675 IonicContact CZ-OE2 3.54Å; R644-E675 VanDerWaalsContact CZ-OE2 3.25Å; R644-E675 IonicContact NE-OE2 3.41Å; R644-E675 IonicContact NH1-OE1 2.75Å; R644-E675 PolarHBondContact NH1-OE1 3.39Å; R644-E675 IonicContact NH1-OE2 3.92Å; R644-E675 PolarHBondContact NH1-OE2 3.31Å; R644-E675 IonicContact NH2-OE1 3.55Å; F671-E675 HydrophobicContact CD2-CB 4.08Å; F671-E675 HydrophobicContact CD2-CG 4.46Å; F671-E675 HydrophobicContact CE2-CB 4.02Å; F671-E675 HydrophobicContact CE2-CG 3.95Å; F671-E675 WeakPolarHBondContact CE2-OE2 3.43Å; F671-E675 PolarHBondContact O-N 2.98Å; L672-E675 HydrophobicContact CD2-CB 4.27Å; L672-E675 HydrophobicContact CD2-CG 4.48Å; L672-E675 PolarHBondContact O-N 3.2Å; E675-A677 VanDerWaalsContact OE1-CB 3.3Å; E675-A677 WeakPolarHBondContact OE1-CB 3.38Å; E675-A677 PolarHBondContact OE1-N 3.29Å; E675-A677 VanDerWaalsContact OE1-N 3.08Å; E675-P680 HydrophobicContact CG-CB 4.15Å; E675-P680 HydrophobicContact CG-CG 4.21Å; E675-W681 PolarHBondContact O-NE1 2.85Å
676	T	94.9	Very high	95.4	Very high	59 Å²	59	27 Å²	27	36%	0.362	13%	0.131	S	C	.	.			trans	-123.8	-6.9	176.8	63	0	0	0	0	113	F718 N737	T676-F718 HydrophobicContact CG2-CD2 4.33Å; T676-F718 HydrophobicContact CG2-CG 4.41Å; T676-N737 PolarHBondContact O-ND2 3.42Å
677	A	93.8	Very high	95.2	Very high	19 Å²	19	27.8 Å²	27.8	16%	0.157	14%	0.135	C	C	.	.			trans	-77.4	146.6	177.4	0	0	0	0	0	111.7	L641 E675 P680 N737	L641-A677 HydrophobicContact CD1-CB 3.55Å; E675-A677 VanDerWaalsContact OE1-CB 3.3Å; E675-A677 WeakPolarHBondContact OE1-CB 3.38Å; E675-A677 PolarHBondContact OE1-N 3.29Å; E675-A677 VanDerWaalsContact OE1-N 3.08Å; A677-P680 HydrophobicContact CB-CG 4.41Å; A677-P680 WeakPolarHBondContact O-CD 3.44Å; A677-N737 PolarHBondContact O-ND2 3.38Å
678	Y	92.8	Very high	95.1	Very high	16 Å²	16	24.2 Å²	24.2	6%	0.063	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-55.2	-178.6	172.7	-122.2	0	0	0	113.3	W681 E682 S733 H736 N737	Y678-W681 WeakPolarHBondContact O-CB 3.37Å; Y678-W681 PolarHBondContact O-N 2.87Å; Y678-E682 HydrophobicContact CD2-CB 4.12Å; Y678-E682 HydrophobicContact CE2-CB 3.65Å; Y678-E682 HydrophobicContact CE2-CG 3.92Å; Y678-E682 PolarHBondContact O-N 2.85Å; Y678-S733 WeakPolarHBondContact CB-O 3.44Å; Y678-H736 HydrophobicContact CD1-CB 4.35Å; Y678-H736 HydrophobicContact CD2-CB 3.65Å; Y678-H736 HydrophobicContact CE1-CB 4.21Å; Y678-H736 HydrophobicContact CE2-CB 3.49Å; Y678-H736 VanDerWaalsContact CE2-CB 3.49Å; Y678-H736 HydrophobicContact CG-CB 4.09Å; Y678-N737 HydrophobicContact CD2-CB 4.17Å
679	L	92.7	Very high	94.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-54.7	-45.5	-170.4	-65.7	179.9	0	0	0	115	E427 M431 L641 M642 A645 S683	E427-L679 HydrophobicContact CB-CD1 3.87Å; E427-L679 HydrophobicContact CB-CD2 4.17Å; E427-L679 HydrophobicContact CB-CG 4.28Å; E427-L679 HydrophobicContact CG-CD1 4.16Å; E427-L679 WeakPolarHBondContact O-CD2 3.22Å; M431-L679 HydrophobicContact CG-CD2 3.36Å; M431-L679 HydrophobicContact SD-CD2 3.92Å; L641-L679 HydrophobicContact CD1-CB 4.21Å; L641-L679 HydrophobicContact CD1-CD1 4.49Å; L641-L679 HydrophobicContact CD2-CD1 3.96Å; L641-L679 HydrophobicContact CG-CB 4.41Å; L641-L679 HydrophobicContact CG-CD1 3.83Å; L641-L679 HydrophobicContact CG-CG 4.46Å; M642-L679 HydrophobicContact CG-CD1 4.19Å; A645-L679 HydrophobicContact CB-CB 4.04Å; A645-L679 WeakPolarHBondContact CB-O 3.35Å; L679-S683 VanDerWaalsContact O-CB 3.29Å; L679-S683 WeakPolarHBondContact O-CB 3.3Å; L679-S683 PolarHBondContact O-N 2.89Å
680	P	95.4	Very high	94.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.7	-33.6	179.3	-16.1	31.2	0	0	0	112.9	L641 R644 F671 L672 E675 A677 A684	L641-P680 HydrophobicContact CD1-CG 4.14Å; R644-P680 HydrophobicContact CB-CB 4.22Å; R644-P680 HydrophobicContact CB-CG 3.8Å; F671-P680 HydrophobicContact CE2-CB 4.01Å; F671-P680 HydrophobicContact CZ-CB 3.81Å; L672-P680 HydrophobicContact CD2-CB 4.49Å; E675-P680 HydrophobicContact CG-CB 4.15Å; E675-P680 HydrophobicContact CG-CG 4.21Å; A677-P680 HydrophobicContact CB-CG 4.41Å; A677-P680 WeakPolarHBondContact O-CD 3.44Å; P680-A684 WeakPolarHBondContact O-CB 3.23Å; P680-A684 PolarHBondContact O-N 3.18Å; P680-A684 VanDerWaalsContact O-N 3.07Å
681	W	96.4	Very high	94.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-51.3	173.9	-91.5	105.4	0	0	0	111.1	L672 E675 Y678 S683 A684 I685 Q711 V712 L715	L672-W681 HydrophobicContact CB-CD2 4.5Å; L672-W681 HydrophobicContact CB-CH2 3.91Å; L672-W681 HydrophobicContact CB-CZ2 3.77Å; L672-W681 HydrophobicContact CB-CZ3 4.34Å; L672-W681 HydrophobicContact CD1-CE3 4.34Å; L672-W681 HydrophobicContact CD1-CZ3 4.31Å; L672-W681 HydrophobicContact CD2-CD2 4.09Å; L672-W681 HydrophobicContact CD2-CG 4.25Å; L672-W681 WeakPolarHBondContact O-CZ2 3.38Å; E675-W681 PolarHBondContact O-NE1 2.85Å; Y678-W681 WeakPolarHBondContact O-CB 3.37Å; Y678-W681 PolarHBondContact O-N 2.87Å; W681-S683 VanDerWaalsContact C-N 3.31Å; W681-S683 PolarHBondContact O-N 3.25Å; W681-A684 WeakPolarHBondContact O-CB 3.48Å; W681-A684 PolarHBondContact O-N 3.1Å; W681-A684 VanDerWaalsContact O-N 3.11Å; W681-I685 HydrophobicContact CE3-CD1 4.27Å; W681-I685 HydrophobicContact CE3-CG1 4.3Å; W681-I685 HydrophobicContact CZ3-CD1 4.33Å; W681-I685 WeakPolarHBondContact O-CG1 3.37Å; W681-I685 PolarHBondContact O-N 2.89Å; W681-Q711 HydrophobicContact CH2-CB 4.05Å; W681-Q711 WeakPolarHBondContact CH2-O 3.47Å; W681-V712 HydrophobicContact CH2-CB 4Å; W681-V712 HydrophobicContact CH2-CG2 4.24Å; W681-V712 HydrophobicContact CZ3-CB 4.4Å; W681-V712 HydrophobicContact CZ3-CG2 4.45Å; W681-L715 HydrophobicContact CD2-CD2 3.81Å; W681-L715 HydrophobicContact CE3-CD2 4.42Å; W681-L715 HydrophobicContact CG-CD2 4.04Å; W681-L715 HydrophobicContact CZ2-CB 4.01Å; W681-L715 HydrophobicContact CZ2-CD2 4.01Å
682	E	93.6	Very high	94.5	Very high	50 Å²	50	27.2 Å²	27.2	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-41.7	179.3	-175	60.2	-158.5	0	0	111.6	M431 Y678 A684 I685 R686	M431-E682 HydrophobicContact CE-CB 3.74Å; M431-E682 HydrophobicContact CE-CG 3.44Å; M431-E682 VanDerWaalsContact CE-CG 3.44Å; M431-E682 HydrophobicContact CG-CG 4.31Å; Y678-E682 HydrophobicContact CD2-CB 4.12Å; Y678-E682 HydrophobicContact CE2-CB 3.65Å; Y678-E682 HydrophobicContact CE2-CG 3.92Å; Y678-E682 PolarHBondContact O-N 2.85Å; E682-A684 VanDerWaalsContact C-N 3.35Å; E682-A684 PolarHBondContact O-N 3.44Å; E682-I685 PolarHBondContact O-N 3.39Å; E682-R686 VanDerWaalsContact O-CB 3.31Å; E682-R686 WeakPolarHBondContact O-CB 3.42Å; E682-R686 PolarHBondContact O-N 3.41Å
683	S	94.8	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-43.7	174.3	176.1	0	0	0	0	112.3	M431 A645 D649 L679 W681 N687	M431-S683 VanDerWaalsContact CE-N 3.28Å; A645-S683 PolarHBondContact O-OG 3.34Å; D649-S683 PolarHBondContact N-OG 2.66Å; L679-S683 VanDerWaalsContact O-CB 3.29Å; L679-S683 WeakPolarHBondContact O-CB 3.3Å; L679-S683 PolarHBondContact O-N 2.89Å; W681-S683 VanDerWaalsContact C-N 3.31Å; W681-S683 PolarHBondContact O-N 3.25Å; S683-N687 WeakPolarHBondContact O-CB 3.39Å; S683-N687 PolarHBondContact O-N 2.65Å; S683-N687 VanDerWaalsContact O-N 3.16Å; S683-N687 PolarHBondContact O-ND2 3.39Å
684	A	96.3	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-46.8	177.3	0	0	0	0	0	112.4	V648 T669 L672 P680 W681 E682 N687 L688	V648-A684 HydrophobicContact CG1-CB 3.98Å; T669-A684 HydrophobicContact CG2-CB 4.36Å; L672-A684 HydrophobicContact CD1-CB 3.33Å; L672-A684 HydrophobicContact CD2-CB 4.34Å; L672-A684 HydrophobicContact CG-CB 4.42Å; P680-A684 WeakPolarHBondContact O-CB 3.23Å; P680-A684 PolarHBondContact O-N 3.18Å; P680-A684 VanDerWaalsContact O-N 3.07Å; W681-A684 WeakPolarHBondContact O-CB 3.48Å; W681-A684 PolarHBondContact O-N 3.1Å; W681-A684 VanDerWaalsContact O-N 3.11Å; E682-A684 VanDerWaalsContact C-N 3.35Å; E682-A684 PolarHBondContact O-N 3.44Å; A684-N687 PolarHBondContact O-N 3.28Å; A684-L688 HydrophobicContact CB-CD1 4.49Å; A684-L688 VanDerWaalsContact O-CB 3.26Å; A684-L688 WeakPolarHBondContact O-CB 3.43Å; A684-L688 WeakPolarHBondContact O-CD1 3.38Å; A684-L688 VanDerWaalsContact O-CG 3.23Å; A684-L688 WeakPolarHBondContact O-CG 3.28Å; A684-L688 PolarHBondContact O-N 3.05Å
685	I	95	Very high	94.6	Very high	33 Å²	33	20.3 Å²	20.3	17%	0.169	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-44.2	-178	-63.5	-48.8	0	0	0	111	W681 E682 N687 L688 E689 T740 V744	W681-I685 HydrophobicContact CE3-CD1 4.27Å; W681-I685 HydrophobicContact CE3-CG1 4.3Å; W681-I685 HydrophobicContact CZ3-CD1 4.33Å; W681-I685 WeakPolarHBondContact O-CG1 3.37Å; W681-I685 PolarHBondContact O-N 2.89Å; E682-I685 PolarHBondContact O-N 3.39Å; I685-N687 VanDerWaalsContact C-N 3.34Å; I685-N687 PolarHBondContact O-N 3.5Å; I685-L688 CarbonylContact O-C 3.46Å; I685-L688 PolarHBondContact O-N 3.26Å; I685-E689 PolarHBondContact O-N 3.4Å; I685-T740 HydrophobicContact CG1-CG2 3.89Å; I685-V744 HydrophobicContact CD1-CG1 4.21Å; I685-V744 HydrophobicContact CD1-CG2 3.45Å; I685-V744 VanDerWaalsContact CD1-CG2 3.45Å; I685-V744 HydrophobicContact CG1-CG2 3.75Å; I685-V744 HydrophobicContact CG2-CG2 4.34Å
686	R	92.3	Very high	94.5	Very high	61 Å²	61	20.9 Å²	20.9	23%	0.23	10%	0.104	C	C	.	.	H	α-helix	trans	-58.8	-43.9	175.4	-174.3	174.9	175.8	152	1	112.2	M431 E439 E682 E689	M431-R686 PolarHBondContact O-NH1 3.21Å; E439-R686 IonicContact OE1-CZ 3.41Å; E439-R686 IonicContact OE1-NE 3.78Å; E439-R686 PolarHBondContact OE1-NE 2.79Å; E439-R686 IonicContact OE1-NH2 3.53Å; E439-R686 PolarHBondContact OE1-NH2 3.03Å; E682-R686 VanDerWaalsContact O-CB 3.31Å; E682-R686 WeakPolarHBondContact O-CB 3.42Å; E682-R686 PolarHBondContact O-N 3.41Å; R686-E689 VanDerWaalsContact O-CB 3.26Å; R686-E689 WeakPolarHBondContact O-CB 3.27Å; R686-E689 PolarHBondContact O-N 3.49Å
687	N	94.7	Very high	94.5	Very high	16 Å²	16	23.8 Å²	23.8	9%	0.086	11%	0.108	C	C	.	.	H	α-helix	trans	-71	-36.5	177.8	-83	-78.7	0	0	0	113.2	D649 F652 N653 S683 A684 I685 E689 Y690	D649-N687 WeakPolarHBondContact CA-ND2 3.44Å; D649-N687 PolarHBondContact OD1-ND2 3.39Å; D649-N687 PolarHBondContact OD1-OD1 2.81Å; F652-N687 HydrophobicContact CB-CB 3.77Å; F652-N687 VanDerWaalsContact CB-OD1 3.24Å; F652-N687 WeakPolarHBondContact CB-OD1 3.26Å; F652-N687 HydrophobicContact CD1-CB 3.75Å; F652-N687 HydrophobicContact CD2-CB 4Å; F652-N687 HydrophobicContact CE1-CB 4.33Å; F652-N687 HydrophobicContact CG-CB 3.58Å; N653-N687 PolarHBondContact ND2-OD1 3.18Å; N653-N687 VanDerWaalsContact ND2-OD1 3.16Å; S683-N687 WeakPolarHBondContact O-CB 3.39Å; S683-N687 PolarHBondContact O-N 2.65Å; S683-N687 VanDerWaalsContact O-N 3.16Å; S683-N687 PolarHBondContact O-ND2 3.39Å; A684-N687 PolarHBondContact O-N 3.28Å; I685-N687 VanDerWaalsContact C-N 3.34Å; I685-N687 PolarHBondContact O-N 3.5Å; N687-E689 VanDerWaalsContact C-N 3.27Å; N687-E689 PolarHBondContact O-N 2.97Å; N687-Y690 PolarHBondContact O-N 3.06Å
688	L	95.5	Very high	94.6	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-70.8	-22.9	174.4	-74.7	162.4	0	0	0	112.2	F652 T669 A684 I685 Y690 F691 I692 M704 L708	F652-L688 HydrophobicContact CE1-CD2 3.96Å; F652-L688 HydrophobicContact CE1-CG 4.2Å; F652-L688 HydrophobicContact CZ-CD2 3.93Å; F652-L688 HydrophobicContact CZ-CG 4.05Å; T669-L688 HydrophobicContact CG2-CD1 4.32Å; A684-L688 HydrophobicContact CB-CD1 4.49Å; A684-L688 VanDerWaalsContact O-CB 3.26Å; A684-L688 WeakPolarHBondContact O-CB 3.43Å; A684-L688 WeakPolarHBondContact O-CD1 3.38Å; A684-L688 VanDerWaalsContact O-CG 3.23Å; A684-L688 WeakPolarHBondContact O-CG 3.28Å; A684-L688 PolarHBondContact O-N 3.05Å; I685-L688 CarbonylContact O-C 3.46Å; I685-L688 PolarHBondContact O-N 3.26Å; L688-Y690 PolarHBondContact O-N 3.03Å; L688-F691 CarbonylContact O-C 3.5Å; L688-F691 WeakPolarHBondContact O-CA 3.28Å; L688-F691 WeakPolarHBondContact O-CB 3.29Å; L688-F691 PolarHBondContact O-N 3.02Å; L688-I692 WeakPolarHBondContact O-CG1 3.35Å; L688-I692 PolarHBondContact O-N 3.06Å; L688-M704 HydrophobicContact CB-CE 4.37Å; L688-M704 HydrophobicContact CD2-CE 3.93Å; L688-L708 HydrophobicContact CD1-CD2 3.68Å
689	E	93.4	Very high	94.7	Very high	65 Å²	65	30.6 Å²	30.6	30%	0.304	14%	0.142	S	C	.	.	H	α-helix	trans	-55.3	-41.2	174.3	-164.7	-168.5	-178.7	0	0	110.8	I685 R686 N687 F691 I692 L693 R886	I685-E689 PolarHBondContact O-N 3.4Å; R686-E689 VanDerWaalsContact O-CB 3.26Å; R686-E689 WeakPolarHBondContact O-CB 3.27Å; R686-E689 PolarHBondContact O-N 3.49Å; N687-E689 VanDerWaalsContact C-N 3.27Å; N687-E689 PolarHBondContact O-N 2.97Å; E689-F691 VanDerWaalsContact C-N 3.33Å; E689-F691 PolarHBondContact O-N 2.83Å; E689-I692 PolarHBondContact O-N 2.89Å; E689-L693 HydrophobicContact CG-CD1 4.26Å; E689-L693 HydrophobicContact CG-CG 4.49Å; E689-L693 WeakPolarHBondContact O-CB 3.42Å; E689-L693 VanDerWaalsContact O-CG 3.27Å; E689-L693 WeakPolarHBondContact O-CG 3.31Å; E689-L693 PolarHBondContact O-N 3.33Å; E689-R886 VanDerWaalsContact CD-NH2 3.26Å; E689-R886 IonicContact OE1-CZ 3.65Å; E689-R886 IonicContact OE1-NH1 3.8Å; E689-R886 PolarHBondContact OE1-NH1 3.27Å; E689-R886 IonicContact OE1-NH2 3.49Å; E689-R886 PolarHBondContact OE1-NH2 3.01Å; E689-R886 IonicContact OE2-CZ 3.68Å; E689-R886 IonicContact OE2-NH1 3.19Å; E689-R886 IonicContact OE2-NH2 2.64Å; E689-R886 PolarHBondContact OE2-NH2 2.86Å
690	Y	92.1	Very high	95	Very high	26 Å²	26	30.5 Å²	30.5	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-44.6	173.6	-179.3	-101.6	0	0	0	112	R656 N687 L688 I692 L693 M694 N923 W926	R656-Y690 HydrophobicContact CG-CD1 4.45Å; R656-Y690 HydrophobicContact CG-CE1 4.08Å; N687-Y690 PolarHBondContact O-N 3.06Å; L688-Y690 PolarHBondContact O-N 3.03Å; Y690-I692 VanDerWaalsContact C-N 3.35Å; Y690-I692 PolarHBondContact O-N 2.87Å; Y690-L693 PolarHBondContact O-N 3.32Å; Y690-M694 HydrophobicContact CD1-CG 4.22Å; Y690-M694 HydrophobicContact CD2-CG 4.42Å; Y690-M694 HydrophobicContact CE1-CG 3.8Å; Y690-M694 HydrophobicContact CE2-CE 4.32Å; Y690-M694 HydrophobicContact CE2-CG 4.02Å; Y690-M694 HydrophobicContact CE2-SD 4.16Å; Y690-M694 VanDerWaalsContact O-CG 3.25Å; Y690-M694 WeakPolarHBondContact O-CG 3.29Å; Y690-M694 PolarHBondContact O-N 3.08Å; Y690-N923 VanDerWaalsContact CE2-OD1 3.28Å; Y690-N923 WeakPolarHBondContact CE2-OD1 3.01Å; Y690-N923 PolarHBondContact OH-OD1 3.5Å; Y690-W926 HydrophobicContact CD1-CH2 4.38Å; Y690-W926 HydrophobicContact CD1-CZ2 4.45Å; Y690-W926 HydrophobicContact CD1-CZ3 4.49Å; Y690-W926 AromaticContact CE1-CD2 3.64Å; Y690-W926 HydrophobicContact CE1-CD2 3.64Å; Y690-W926 AromaticContact CE1-CE2 3.84Å; Y690-W926 AromaticContact CE1-CE3 3.69Å; Y690-W926 HydrophobicContact CE1-CE3 3.69Å; Y690-W926 HydrophobicContact CE1-CG 4.17Å; Y690-W926 HydrophobicContact CE1-CH2 4.12Å; Y690-W926 HydrophobicContact CE1-CZ2 4.1Å; Y690-W926 AromaticContact CE1-CZ3 3.92Å; Y690-W926 HydrophobicContact CE1-CZ3 3.92Å
691	F	94.9	Very high	95	Very high	4 Å²	4	33 Å²	33	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-41.8	177.9	-75.8	-120.1	0	0	0	110.9	F652 V662 L666 L688 E689 M694 F695 M704 W926 V934	F652-F691 HydrophobicContact CD1-CD2 4.14Å; F652-F691 AromaticContact CD1-CE2 3.45Å; F652-F691 HydrophobicContact CD1-CE2 3.45Å; F652-F691 VanDerWaalsContact CD1-CE2 3.45Å; F652-F691 AromaticContact CD1-CZ 3.94Å; F652-F691 HydrophobicContact CD1-CZ 3.94Å; F652-F691 HydrophobicContact CE1-CD2 4.01Å; F652-F691 AromaticContact CE1-CE2 3.59Å; F652-F691 HydrophobicContact CE1-CE2 3.59Å; F652-F691 AromaticContact CE1-CZ 3.87Å; F652-F691 HydrophobicContact CE1-CZ 3.87Å; V662-F691 HydrophobicContact CG2-CE1 3.83Å; V662-F691 HydrophobicContact CG2-CZ 3.75Å; L666-F691 HydrophobicContact CD2-CD1 4.32Å; L666-F691 HydrophobicContact CD2-CE1 3.92Å; L666-F691 HydrophobicContact CG-CE1 4.42Å; L688-F691 CarbonylContact O-C 3.5Å; L688-F691 WeakPolarHBondContact O-CA 3.28Å; L688-F691 WeakPolarHBondContact O-CB 3.29Å; L688-F691 PolarHBondContact O-N 3.02Å; E689-F691 VanDerWaalsContact C-N 3.33Å; E689-F691 PolarHBondContact O-N 2.83Å; F691-M694 PolarHBondContact O-N 3.35Å; F691-F695 HydrophobicContact CB-CD2 4.46Å; F691-F695 HydrophobicContact CD1-CE2 4.3Å; F691-F695 VanDerWaalsContact O-CB 3.3Å; F691-F695 WeakPolarHBondContact O-CB 3.4Å; F691-F695 VanDerWaalsContact O-CD2 3.31Å; F691-F695 WeakPolarHBondContact O-CD2 3.45Å; F691-F695 PolarHBondContact O-N 3.5Å; F691-M704 HydrophobicContact CB-CE 3.66Å; F691-M704 HydrophobicContact CB-SD 4.33Å; F691-W926 AromaticContact CD1-CH2 3.79Å; F691-W926 HydrophobicContact CD1-CH2 3.79Å; F691-W926 HydrophobicContact CD1-CZ2 4.33Å; F691-W926 HydrophobicContact CD2-CH2 4.16Å; F691-W926 HydrophobicContact CD2-CZ2 4.37Å; F691-W926 AromaticContact CE1-CH2 3.68Å; F691-W926 HydrophobicContact CE1-CH2 3.68Å; F691-W926 AromaticContact CE1-CZ2 3.78Å; F691-W926 HydrophobicContact CE1-CZ2 3.78Å; F691-W926 HydrophobicContact CE2-CH2 4.02Å; F691-W926 AromaticContact CE2-CZ2 3.79Å; F691-W926 HydrophobicContact CE2-CZ2 3.79Å; F691-W926 HydrophobicContact CG-CH2 4.03Å; F691-W926 AromaticContact CZ-CH2 3.81Å; F691-W926 HydrophobicContact CZ-CH2 3.81Å; F691-W926 AromaticContact CZ-CZ2 3.49Å; F691-W926 HydrophobicContact CZ-CZ2 3.49Å; F691-W926 VanDerWaalsContact CZ-CZ2 3.49Å; F691-V934 HydrophobicContact CD1-CG1 4.19Å; F691-V934 HydrophobicContact CD1-CG2 4.45Å; F691-V934 HydrophobicContact CE1-CG1 4.39Å; F691-V934 HydrophobicContact CE1-CG2 3.95Å
692	I	95.1	Very high	95.1	Very high	41 Å²	41	34.6 Å²	34.6	21%	0.21	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-51.1	174.4	-65.3	170.5	0	0	0	109.4	L688 E689 Y690 M694 F695 D696 Y701 M704 L708	L688-I692 WeakPolarHBondContact O-CG1 3.35Å; L688-I692 PolarHBondContact O-N 3.06Å; E689-I692 PolarHBondContact O-N 2.89Å; Y690-I692 VanDerWaalsContact C-N 3.35Å; Y690-I692 PolarHBondContact O-N 2.87Å; I692-M694 VanDerWaalsContact C-N 3.26Å; I692-M694 PolarHBondContact O-N 2.92Å; I692-F695 PolarHBondContact O-N 3.38Å; I692-F695 VanDerWaalsContact O-N 3.16Å; I692-D696 HydrophobicContact CG2-CB 4.14Å; I692-D696 WeakPolarHBondContact O-CA 3.3Å; I692-D696 WeakPolarHBondContact O-CB 3.33Å; I692-D696 VanDerWaalsContact O-CG 3.26Å; I692-D696 PolarHBondContact O-N 3.5Å; I692-Y701 HydrophobicContact CG1-CE2 4.45Å; I692-Y701 HydrophobicContact CG2-CE2 4.04Å; I692-M704 HydrophobicContact CD1-CE 4.37Å; I692-M704 HydrophobicContact CG1-CE 3.47Å; I692-M704 VanDerWaalsContact CG1-CE 3.47Å; I692-M704 HydrophobicContact CG1-SD 4.2Å; I692-L708 HydrophobicContact CD1-CD1 4.42Å
693	L	94.2	Very high	95.2	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-34.3	-179.1	-69.6	169.2	0	0	0	113.1	E689 Y690 R886 R887	E689-L693 HydrophobicContact CG-CD1 4.26Å; E689-L693 HydrophobicContact CG-CG 4.49Å; E689-L693 WeakPolarHBondContact O-CB 3.42Å; E689-L693 VanDerWaalsContact O-CG 3.27Å; E689-L693 WeakPolarHBondContact O-CG 3.31Å; E689-L693 PolarHBondContact O-N 3.33Å; Y690-L693 PolarHBondContact O-N 3.32Å; L693-R886 HydrophobicContact CD1-CG 4.02Å; L693-R887 HydrophobicContact CB-CG 4.29Å; L693-R887 HydrophobicContact CD2-CG 3.58Å
694	M	95.3	Very high	95.4	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.054	16%	0.163	C	C	.	.	H	α-helix	trans	-77.8	-28.9	178.4	-67.1	-54.7	94.9	0	0	113	Y690 F691 I692 N923 W926 V927	Y690-M694 HydrophobicContact CD1-CG 4.22Å; Y690-M694 HydrophobicContact CD2-CG 4.42Å; Y690-M694 HydrophobicContact CE1-CG 3.8Å; Y690-M694 HydrophobicContact CE2-CE 4.32Å; Y690-M694 HydrophobicContact CE2-CG 4.02Å; Y690-M694 HydrophobicContact CE2-SD 4.16Å; Y690-M694 VanDerWaalsContact O-CG 3.25Å; Y690-M694 WeakPolarHBondContact O-CG 3.29Å; Y690-M694 PolarHBondContact O-N 3.08Å; F691-M694 PolarHBondContact O-N 3.35Å; I692-M694 VanDerWaalsContact C-N 3.26Å; I692-M694 PolarHBondContact O-N 2.92Å; M694-N923 HydrophobicContact CE-CB 4.44Å; M694-N923 HydrophobicContact SD-CB 3.66Å; M694-W926 HydrophobicContact CB-CE3 4.47Å; M694-W926 HydrophobicContact CB-CZ3 4.01Å; M694-W926 HydrophobicContact CG-CE3 4.14Å; M694-W926 HydrophobicContact CG-CZ3 4.03Å; M694-V927 HydrophobicContact CB-CG2 3.95Å; M694-V927 HydrophobicContact CG-CG2 4.18Å; M694-V927 HydrophobicContact SD-CG2 4.08Å
695	F	96.6	Very high	95.4	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-122.6	-6.1	-168	-63.6	-49.9	0	0	0	116	F691 I692 R697 S698 V700 Y701 W926 V927 H931 V934	F691-F695 HydrophobicContact CB-CD2 4.46Å; F691-F695 HydrophobicContact CD1-CE2 4.3Å; F691-F695 VanDerWaalsContact O-CB 3.3Å; F691-F695 WeakPolarHBondContact O-CB 3.4Å; F691-F695 VanDerWaalsContact O-CD2 3.31Å; F691-F695 WeakPolarHBondContact O-CD2 3.45Å; F691-F695 PolarHBondContact O-N 3.5Å; I692-F695 PolarHBondContact O-N 3.38Å; I692-F695 VanDerWaalsContact O-N 3.16Å; F695-R697 PolarHBondContact O-N 2.92Å; F695-S698 PolarHBondContact O-N 3.43Å; F695-S698 PolarHBondContact O-OG 2.78Å; F695-V700 HydrophobicContact CB-CB 3.97Å; F695-V700 HydrophobicContact CB-CG1 4.12Å; F695-V700 HydrophobicContact CD1-CB 4.23Å; F695-V700 HydrophobicContact CD1-CG2 4.04Å; F695-V700 HydrophobicContact CD2-CG1 3.98Å; F695-V700 HydrophobicContact CE1-CG2 4.36Å; F695-V700 HydrophobicContact CG-CB 4Å; F695-V700 HydrophobicContact CG-CG1 3.97Å; F695-V700 HydrophobicContact CG-CG2 4.29Å; F695-Y701 WeakPolarHBondContact O-CB 3.28Å; F695-W926 HydrophobicContact CD2-CZ3 4.37Å; F695-W926 HydrophobicContact CE1-CZ3 4.46Å; F695-W926 AromaticContact CE2-CH2 3.55Å; F695-W926 HydrophobicContact CE2-CH2 3.55Å; F695-W926 AromaticContact CE2-CZ3 3.4Å; F695-W926 HydrophobicContact CE2-CZ3 3.4Å; F695-W926 VanDerWaalsContact CE2-CZ3 3.4Å; F695-W926 HydrophobicContact CZ-CE3 4.38Å; F695-W926 AromaticContact CZ-CH2 3.97Å; F695-W926 HydrophobicContact CZ-CH2 3.97Å; F695-W926 AromaticContact CZ-CZ3 3.45Å; F695-W926 HydrophobicContact CZ-CZ3 3.45Å; F695-W926 VanDerWaalsContact CZ-CZ3 3.45Å; F695-V927 HydrophobicContact CE1-CG1 4.18Å; F695-V927 HydrophobicContact CE1-CG2 4.34Å; F695-H931 HydrophobicContact CE1-CB 4.41Å; F695-H931 AromaticContact CE1-CD2 3.94Å; F695-V934 HydrophobicContact CD2-CG1 4.31Å; F695-V934 HydrophobicContact CE2-CB 4.24Å; F695-V934 HydrophobicContact CE2-CG1 3.87Å; F695-V934 HydrophobicContact CE2-CG2 4.33Å
696	D	94.9	Very high	95.5	Very high	21 Å²	21	35.9 Å²	35.9	11%	0.112	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-8.2	179.7	66.8	1.3	0	0	0	114.5	I692 Y701 R887	I692-D696 HydrophobicContact CG2-CB 4.14Å; I692-D696 WeakPolarHBondContact O-CA 3.3Å; I692-D696 WeakPolarHBondContact O-CB 3.33Å; I692-D696 VanDerWaalsContact O-CG 3.26Å; I692-D696 PolarHBondContact O-N 3.5Å; D696-Y701 HydrophobicContact CB-CD1 4.48Å; D696-Y701 HydrophobicContact CB-CD2 4.16Å; D696-Y701 HydrophobicContact CB-CE1 4.37Å; D696-Y701 HydrophobicContact CB-CE2 4.06Å; D696-Y701 HydrophobicContact CB-CG 4.39Å; D696-R887 IonicContact OD1-NE 3.79Å; D696-R887 IonicContact OD2-CZ 3.04Å; D696-R887 IonicContact OD2-NE 2.85Å; D696-R887 PolarHBondContact OD2-NE 2.88Å; D696-R887 IonicContact OD2-NH2 3.72Å; D696-R887 PolarHBondContact OD2-NH2 3.3Å
697	R	94.3	Very high	95.7	Very high	120 Å²	120	33.1 Å²	33.1	45%	0.453	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	16.6	175.2	-63.3	176	-64.1	159.8	4.1	113.4	F695 R887 E893	F695-R697 PolarHBondContact O-N 2.92Å; R697-R887 PolarHBondContact NH2-O 3.46Å; R697-R887 VanDerWaalsContact NH2-O 3.14Å; R697-E893 IonicContact CZ-OE1 2.72Å; R697-E893 IonicContact NH1-OE1 3.26Å; R697-E893 PolarHBondContact NH1-OE1 3.26Å; R697-E893 IonicContact NH2-OE1 3.95Å; R697-E893 PolarHBondContact NH2-OE1 3.05Å
698	S	95.8	Very high	95.9	Very high	43 Å²	43	32.6 Å²	32.6	30%	0.301	16%	0.163	S	C	.	.	S	Bend	trans	-128.9	175.9	179.7	82.9	0	0	0	0	113.3	F695 V700 Y701	F695-S698 PolarHBondContact O-N 3.43Å; F695-S698 PolarHBondContact O-OG 2.78Å; S698-V700 PolarHBondContact O-N 2.94Å; S698-V700 PolarHBondContact OG-N 3.12Å; S698-Y701 PolarHBondContact O-N 3.14Å
699	E	96.2	Very high	95.9	Very high	135 Å²	135	36.1 Å²	36.1	63%	0.631	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20	177.8	60.7	-155.4	-155.2	0	0	114.3	Y701 P703 H931 L935	E699-Y701 PolarHBondContact O-N 3.37Å; E699-P703 WeakPolarHBondContact O-CD 3.44Å; E699-H931 IonicContact OE1-CE1 3.83Å; E699-L935 HydrophobicContact CG-CD2 4.19Å
700	V	97.7	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.8	176.7	-179.2	0	0	0	0	111.9	F695 S698 G702 P703 M704 V934 L935 F938	F695-V700 HydrophobicContact CB-CB 3.97Å; F695-V700 HydrophobicContact CB-CG1 4.12Å; F695-V700 HydrophobicContact CD1-CB 4.23Å; F695-V700 HydrophobicContact CD1-CG2 4.04Å; F695-V700 HydrophobicContact CD2-CG1 3.98Å; F695-V700 HydrophobicContact CE1-CG2 4.36Å; F695-V700 HydrophobicContact CG-CB 4Å; F695-V700 HydrophobicContact CG-CG1 3.97Å; F695-V700 HydrophobicContact CG-CG2 4.29Å; S698-V700 PolarHBondContact O-N 2.94Å; S698-V700 PolarHBondContact OG-N 3.12Å; V700-G702 PolarHBondContact O-N 3.46Å; V700-P703 WeakPolarHBondContact O-CD 3.26Å; V700-M704 WeakPolarHBondContact O-CB 3.11Å; V700-M704 PolarHBondContact O-N 3.38Å; V700-M704 VanDerWaalsContact O-N 3.1Å; V700-V934 HydrophobicContact CG1-CG1 3.76Å; V700-L935 HydrophobicContact CG2-CB 4.06Å; V700-L935 HydrophobicContact CG2-CD1 4.23Å; V700-F938 HydrophobicContact CG1-CD2 4.1Å; V700-F938 HydrophobicContact CG1-CE2 4.46Å
701	Y	96.9	Very high	96.3	Very high	52 Å²	52	35.8 Å²	35.8	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-37.2	-170.2	-164	-129.8	0	0	0	113.4	I692 F695 D696 S698 E699 M704 Q705	I692-Y701 HydrophobicContact CG1-CE2 4.45Å; I692-Y701 HydrophobicContact CG2-CE2 4.04Å; F695-Y701 WeakPolarHBondContact O-CB 3.28Å; D696-Y701 HydrophobicContact CB-CD1 4.48Å; D696-Y701 HydrophobicContact CB-CD2 4.16Å; D696-Y701 HydrophobicContact CB-CE1 4.37Å; D696-Y701 HydrophobicContact CB-CE2 4.06Å; D696-Y701 HydrophobicContact CB-CG 4.39Å; S698-Y701 PolarHBondContact O-N 3.14Å; E699-Y701 PolarHBondContact O-N 3.37Å; Y701-M704 HydrophobicContact CD2-SD 4.44Å; Y701-M704 PolarHBondContact O-N 2.91Å; Y701-Q705 HydrophobicContact CD1-CG 4.01Å; Y701-Q705 HydrophobicContact CD2-CG 4.14Å; Y701-Q705 HydrophobicContact CE1-CG 3.76Å; Y701-Q705 VanDerWaalsContact CE1-NE2 3.26Å; Y701-Q705 HydrophobicContact CE2-CG 3.87Å; Y701-Q705 HydrophobicContact CG-CG 4.18Å; Y701-Q705 WeakPolarHBondContact O-CB 3.3Å; Y701-Q705 VanDerWaalsContact O-CG 3.29Å; Y701-Q705 WeakPolarHBondContact O-CG 3.07Å; Y701-Q705 PolarHBondContact O-N 3.45Å; Y701-Q705 PolarHBondContact OH-NE2 2.93Å
702	G	96.6	Very high	96.4	Very high	35 Å²	35	35.6 Å²	35.6	36%	0.361	18%	0.175	S	C	.	.	H	α-helix	trans	-58.3	-58.1	179.9	0	0	0	0	0	112.8	V700 M704 Q705 L706	V700-G702 PolarHBondContact O-N 3.46Å; G702-M704 VanDerWaalsContact C-N 3.31Å; G702-M704 PolarHBondContact O-N 2.94Å; G702-Q705 PolarHBondContact O-N 3.25Å; G702-L706 PolarHBondContact O-N 2.95Å; G702-L706 VanDerWaalsContact O-N 3.11Å
703	P	97.7	Very high	96.4	Very high	19 Å²	19	37.3 Å²	37.3	12%	0.123	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-39.5	172.9	-27.5	36.2	0	0	0	113.4	E699 V700 Q705 L706 Y707 L935 F938 E939 T942	E699-P703 WeakPolarHBondContact O-CD 3.44Å; V700-P703 WeakPolarHBondContact O-CD 3.26Å; P703-Q705 PolarHBondContact O-N 2.87Å; P703-L706 PolarHBondContact O-N 2.87Å; P703-Y707 PolarHBondContact O-N 3.37Å; P703-L935 HydrophobicContact CG-CD1 4.37Å; P703-F938 HydrophobicContact CB-CB 3.68Å; P703-E939 HydrophobicContact CB-CG 4.27Å; P703-E939 HydrophobicContact CG-CG 3.93Å; P703-T942 WeakPolarHBondContact O-CG2 3.05Å
704	M	97.6	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-45.4	176.4	-177.3	178.6	-174.7	0	0	112.1	L688 F691 I692 V700 Y701 G702 L706 Y707 L708 F938	L688-M704 HydrophobicContact CB-CE 4.37Å; L688-M704 HydrophobicContact CD2-CE 3.93Å; F691-M704 HydrophobicContact CB-CE 3.66Å; F691-M704 HydrophobicContact CB-SD 4.33Å; I692-M704 HydrophobicContact CD1-CE 4.37Å; I692-M704 HydrophobicContact CG1-CE 3.47Å; I692-M704 VanDerWaalsContact CG1-CE 3.47Å; I692-M704 HydrophobicContact CG1-SD 4.2Å; V700-M704 WeakPolarHBondContact O-CB 3.11Å; V700-M704 PolarHBondContact O-N 3.38Å; V700-M704 VanDerWaalsContact O-N 3.1Å; Y701-M704 HydrophobicContact CD2-SD 4.44Å; Y701-M704 PolarHBondContact O-N 2.91Å; G702-M704 VanDerWaalsContact C-N 3.31Å; G702-M704 PolarHBondContact O-N 2.94Å; M704-L706 VanDerWaalsContact C-N 3.34Å; M704-L706 PolarHBondContact O-N 3.16Å; M704-Y707 PolarHBondContact O-N 3.43Å; M704-L708 HydrophobicContact CE-CD1 4.17Å; M704-L708 HydrophobicContact CG-CD1 4.23Å; M704-L708 HydrophobicContact CG-CG 4.5Å; M704-L708 WeakPolarHBondContact O-CG 3.34Å; M704-L708 PolarHBondContact O-N 3.4Å; M704-F938 HydrophobicContact CB-CD1 4.44Å; M704-F938 HydrophobicContact CB-CD2 3.96Å; M704-F938 HydrophobicContact CB-CE1 4.42Å; M704-F938 HydrophobicContact CB-CE2 3.91Å; M704-F938 HydrophobicContact CB-CG 4.24Å; M704-F938 HydrophobicContact CB-CZ 4.17Å; M704-F938 HydrophobicContact CE-CZ 4.43Å; M704-F938 HydrophobicContact CG-CD2 4.38Å; M704-F938 HydrophobicContact CG-CE1 4.13Å; M704-F938 HydrophobicContact CG-CE2 3.83Å; M704-F938 HydrophobicContact CG-CZ 3.71Å; M704-F938 HydrophobicContact SD-CE2 4.2Å; M704-F938 HydrophobicContact SD-CZ 4.33Å
705	Q	96.6	Very high	96.6	Very high	51 Å²	51	42.2 Å²	42.2	24%	0.238	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-41.2	177.4	-71.6	-172.2	-59.8	0	0	111.7	Y701 G702 P703 L708 R709 S747 N748	Y701-Q705 HydrophobicContact CD1-CG 4.01Å; Y701-Q705 HydrophobicContact CD2-CG 4.14Å; Y701-Q705 HydrophobicContact CE1-CG 3.76Å; Y701-Q705 VanDerWaalsContact CE1-NE2 3.26Å; Y701-Q705 HydrophobicContact CE2-CG 3.87Å; Y701-Q705 HydrophobicContact CG-CG 4.18Å; Y701-Q705 WeakPolarHBondContact O-CB 3.3Å; Y701-Q705 VanDerWaalsContact O-CG 3.29Å; Y701-Q705 WeakPolarHBondContact O-CG 3.07Å; Y701-Q705 PolarHBondContact O-N 3.45Å; Y701-Q705 PolarHBondContact OH-NE2 2.93Å; G702-Q705 PolarHBondContact O-N 3.25Å; P703-Q705 PolarHBondContact O-N 2.87Å; Q705-L708 PolarHBondContact O-N 3.07Å; Q705-R709 VanDerWaalsContact O-CB 3.25Å; Q705-R709 WeakPolarHBondContact O-CB 3.42Å; Q705-R709 PolarHBondContact O-N 2.74Å; Q705-S747 PolarHBondContact NE2-O 2.83Å; Q705-N748 WeakPolarHBondContact CA-OD1 3.5Å; Q705-N748 HydrophobicContact CB-CB 4.46Å; Q705-N748 WeakPolarHBondContact CG-OD1 3.37Å
706	L	96.9	Very high	96.7	Very high	41 Å²	41	42.2 Å²	42.2	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-44	175.1	-77.5	162.7	0	0	0	111.7	G702 P703 M704 H710 T942 E946	G702-L706 PolarHBondContact O-N 2.95Å; G702-L706 VanDerWaalsContact O-N 3.11Å; P703-L706 PolarHBondContact O-N 2.87Å; M704-L706 VanDerWaalsContact C-N 3.34Å; M704-L706 PolarHBondContact O-N 3.16Å; L706-H710 PolarHBondContact O-N 3.35Å; L706-H710 VanDerWaalsContact O-N 3.12Å; L706-T942 HydrophobicContact CB-CG2 3.82Å; L706-E946 HydrophobicContact CD1-CG 4.39Å
707	Y	97.7	Very high	96.8	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-50.8	176	174	-96.5	0	0	0	111.8	T669 P703 M704 R709 H710 Q711 W937 F938 E941	T669-Y707 PolarHBondContact OG1-OH 3.11Å; P703-Y707 PolarHBondContact O-N 3.37Å; M704-Y707 PolarHBondContact O-N 3.43Å; Y707-R709 VanDerWaalsContact C-N 3.34Å; Y707-R709 PolarHBondContact O-N 3.26Å; Y707-H710 PolarHBondContact O-N 3.49Å; Y707-H710 VanDerWaalsContact O-N 3.14Å; Y707-Q711 HydrophobicContact CD1-CG 4.02Å; Y707-Q711 HydrophobicContact CD2-CG 4.48Å; Y707-Q711 HydrophobicContact CE1-CG 3.49Å; Y707-Q711 VanDerWaalsContact CE1-CG 3.49Å; Y707-Q711 HydrophobicContact CE2-CG 4Å; Y707-Q711 HydrophobicContact CG-CG 4.48Å; Y707-Q711 VanDerWaalsContact CZ-CG 3.45Å; Y707-Q711 WeakPolarHBondContact O-CG 3.1Å; Y707-Q711 PolarHBondContact O-N 3.11Å; Y707-Q711 PolarHBondContact OH-NE2 3.4Å; Y707-W937 HydrophobicContact CD1-CZ3 4.28Å; Y707-W937 HydrophobicContact CD2-CH2 4.14Å; Y707-W937 AromaticContact CD2-CZ3 3.88Å; Y707-W937 HydrophobicContact CD2-CZ3 3.88Å; Y707-W937 HydrophobicContact CE1-CH2 4.13Å; Y707-W937 HydrophobicContact CE1-CZ3 4.12Å; Y707-W937 AromaticContact CE2-CH2 3.48Å; Y707-W937 HydrophobicContact CE2-CH2 3.48Å; Y707-W937 VanDerWaalsContact CE2-CH2 3.48Å; Y707-W937 AromaticContact CE2-CZ3 3.71Å; Y707-W937 HydrophobicContact CE2-CZ3 3.71Å; Y707-W937 HydrophobicContact CG-CZ3 4.17Å; Y707-W937 AromaticContact CZ-CH2 3.5Å; Y707-W937 VanDerWaalsContact CZ-CH2 3.5Å; Y707-W937 AromaticContact CZ-CZ3 3.86Å; Y707-F938 HydrophobicContact CD1-CD1 4.03Å; Y707-F938 AromaticContact CD1-CE1 3.59Å; Y707-F938 HydrophobicContact CD1-CE1 3.59Å; Y707-F938 HydrophobicContact CD2-CD1 4.49Å; Y707-F938 HydrophobicContact CE1-CE1 4.22Å; Y707-F938 AromaticContact CG-CD1 3.82Å; Y707-F938 HydrophobicContact CG-CD1 3.82Å; Y707-F938 AromaticContact CG-CE1 3.88Å; Y707-F938 HydrophobicContact CG-CE1 3.88Å; Y707-E941 HydrophobicContact CD2-CB 3.93Å; Y707-E941 HydrophobicContact CE2-CB 4.26Å
708	L	97.4	Very high	96.9	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-40.5	-179.3	-67.7	178.2	0	0	0	112.1	L688 I692 M704 Q705 H710 Q711 V712 V744 N748	L688-L708 HydrophobicContact CD1-CD2 3.68Å; I692-L708 HydrophobicContact CD1-CD1 4.42Å; M704-L708 HydrophobicContact CE-CD1 4.17Å; M704-L708 HydrophobicContact CG-CD1 4.23Å; M704-L708 HydrophobicContact CG-CG 4.5Å; M704-L708 WeakPolarHBondContact O-CG 3.34Å; M704-L708 PolarHBondContact O-N 3.4Å; Q705-L708 PolarHBondContact O-N 3.07Å; L708-H710 VanDerWaalsContact C-N 3.27Å; L708-H710 PolarHBondContact O-N 3.47Å; L708-Q711 PolarHBondContact O-N 3.26Å; L708-V712 WeakPolarHBondContact O-CG1 3.15Å; L708-V712 PolarHBondContact O-N 3.32Å; L708-V744 HydrophobicContact CB-CG1 4.45Å; L708-N748 HydrophobicContact CB-CB 4.46Å
709	R	96.8	Very high	97	Very high	76 Å²	76	41.5 Å²	41.5	29%	0.287	20%	0.202	S	C	.	.	H	α-helix	trans	-56	-43.9	173.6	-173.5	-171.9	-58.3	165.2	4	111.2	Q705 Y707 V712 E713 N748 G749 L750	Q705-R709 VanDerWaalsContact O-CB 3.25Å; Q705-R709 WeakPolarHBondContact O-CB 3.42Å; Q705-R709 PolarHBondContact O-N 2.74Å; Y707-R709 VanDerWaalsContact C-N 3.34Å; Y707-R709 PolarHBondContact O-N 3.26Å; R709-V712 WeakPolarHBondContact O-CG1 3.41Å; R709-E713 PolarHBondContact O-N 3.49Å; R709-N748 HydrophobicContact CB-CB 4.28Å; R709-N748 PolarHBondContact NE-O 2.96Å; R709-N748 PolarHBondContact NH2-O 2.92Å; R709-G749 PolarHBondContact NE-O 3.21Å; R709-L750 HydrophobicContact CG-CB 4.19Å; R709-L750 HydrophobicContact CG-CD1 3.93Å
710	H	95.9	Very high	96.9	Very high	74 Å²	74	37.8 Å²	37.8	34%	0.343	18%	0.183	S	C	.	.	H	α-helix	trans	-72.1	-36.6	178.5	-174.5	55.7	0	0	0	113.1	L706 Y707 L708 E713 L945	L706-H710 PolarHBondContact O-N 3.35Å; L706-H710 VanDerWaalsContact O-N 3.12Å; Y707-H710 PolarHBondContact O-N 3.49Å; Y707-H710 VanDerWaalsContact O-N 3.14Å; L708-H710 VanDerWaalsContact C-N 3.27Å; L708-H710 PolarHBondContact O-N 3.47Å; H710-E713 IonicContact ND1-OE2 2.61Å; H710-L945 HydrophobicContact CB-CD1 3.64Å
711	Q	96.5	Very high	96.8	Very high	9 Å²	9	43 Å²	43	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-42.3	175.5	-66.5	-50.2	-54.2	0	0	111.9	T669 R673 W681 Y707 L708	T669-Q711 PolarHBondContact O-OE1 3.46Å; R673-Q711 WeakPolarHBondContact CA-O 3.41Å; W681-Q711 HydrophobicContact CH2-CB 4.05Å; W681-Q711 WeakPolarHBondContact CH2-O 3.47Å; Y707-Q711 HydrophobicContact CD1-CG 4.02Å; Y707-Q711 HydrophobicContact CD2-CG 4.48Å; Y707-Q711 HydrophobicContact CE1-CG 3.49Å; Y707-Q711 VanDerWaalsContact CE1-CG 3.49Å; Y707-Q711 HydrophobicContact CE2-CG 4Å; Y707-Q711 HydrophobicContact CG-CG 4.48Å; Y707-Q711 VanDerWaalsContact CZ-CG 3.45Å; Y707-Q711 WeakPolarHBondContact O-CG 3.1Å; Y707-Q711 PolarHBondContact O-N 3.11Å; Y707-Q711 PolarHBondContact OH-NE2 3.4Å; L708-Q711 PolarHBondContact O-N 3.26Å
712	V	97.7	Very high	96.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-83.3	-14.2	-173.1	75.4	0	0	0	0	113.5	W681 L708 R709 E714 L715 Y716 V744 A745	W681-V712 HydrophobicContact CH2-CB 4Å; W681-V712 HydrophobicContact CH2-CG2 4.24Å; W681-V712 HydrophobicContact CZ3-CB 4.4Å; W681-V712 HydrophobicContact CZ3-CG2 4.45Å; L708-V712 WeakPolarHBondContact O-CG1 3.15Å; L708-V712 PolarHBondContact O-N 3.32Å; R709-V712 WeakPolarHBondContact O-CG1 3.41Å; V712-E714 PolarHBondContact O-N 3.35Å; V712-L715 HydrophobicContact CG2-CB 4.36Å; V712-L715 HydrophobicContact CG2-CD2 4.42Å; V712-L715 CarbonylContact O-C 3.52Å; V712-L715 WeakPolarHBondContact O-CB 3.21Å; V712-L715 PolarHBondContact O-N 2.97Å; V712-Y716 PolarHBondContact O-N 2.85Å; V712-V744 HydrophobicContact CB-CB 4.37Å; V712-V744 HydrophobicContact CB-CG1 3.85Å; V712-V744 HydrophobicContact CG1-CG1 4.03Å; V712-V744 HydrophobicContact CG2-CB 3.98Å; V712-V744 HydrophobicContact CG2-CG1 4.02Å; V712-A745 HydrophobicContact CG1-CB 3.91Å
713	E	96.3	Very high	96.4	Very high	78 Å²	78	41.6 Å²	41.6	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-54.2	-48	-172.4	-173.2	172.3	-174	0	0	113.1	R709 H710 L715 Y716 N717	R709-E713 PolarHBondContact O-N 3.49Å; H710-E713 IonicContact ND1-OE2 2.61Å; E713-L715 PolarHBondContact O-N 3.1Å; E713-Y716 PolarHBondContact O-N 2.82Å; E713-N717 WeakPolarHBondContact O-CB 3.41Å; E713-N717 PolarHBondContact O-N 3.48Å; E713-N717 PolarHBondContact O-ND2 3.41Å
714	E	96.2	Very high	96.1	Very high	120 Å²	120	43.2 Å²	43.2	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-66.5	-37.2	177.6	-70.1	-62.9	133.9	0	0	112.4	R673 V712 N717 F718	R673-E714 WeakPolarHBondContact O-CB 3.36Å; V712-E714 PolarHBondContact O-N 3.35Å; E714-N717 PolarHBondContact O-N 2.84Å; E714-F718 WeakPolarHBondContact O-CB 3.35Å; E714-F718 PolarHBondContact O-N 3.34Å
715	L	97.4	Very high	95.9	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-42.8	175.9	-175.2	70.5	0	0	0	111.4	W681 V712 E713 N717 F718 F719 A741	W681-L715 HydrophobicContact CD2-CD2 3.81Å; W681-L715 HydrophobicContact CE3-CD2 4.42Å; W681-L715 HydrophobicContact CG-CD2 4.04Å; W681-L715 HydrophobicContact CZ2-CB 4.01Å; W681-L715 HydrophobicContact CZ2-CD2 4.01Å; V712-L715 HydrophobicContact CG2-CB 4.36Å; V712-L715 HydrophobicContact CG2-CD2 4.42Å; V712-L715 CarbonylContact O-C 3.52Å; V712-L715 WeakPolarHBondContact O-CB 3.21Å; V712-L715 PolarHBondContact O-N 2.97Å; E713-L715 PolarHBondContact O-N 3.1Å; L715-N717 VanDerWaalsContact C-N 3.34Å; L715-F718 WeakPolarHBondContact O-CB 3.42Å; L715-F718 PolarHBondContact O-N 3.04Å; L715-F719 HydrophobicContact CD1-CD2 4.3Å; L715-F719 HydrophobicContact CD1-CE2 3.73Å; L715-F719 HydrophobicContact CG-CD2 4.31Å; L715-F719 HydrophobicContact CG-CE2 4.1Å; L715-F719 VanDerWaalsContact O-CD2 3.31Å; L715-F719 WeakPolarHBondContact O-CD2 3.43Å; L715-F719 PolarHBondContact O-N 2.95Å; L715-A741 HydrophobicContact CD2-CB 3.64Å; L715-A741 HydrophobicContact CG-CB 3.74Å
716	Y	97.6	Very high	95.7	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-46.6	174.2	178.4	-98.5	0	0	0	110.4	V712 E713 F718 F719 K720 A745 L750 D752 C753	V712-Y716 PolarHBondContact O-N 2.85Å; E713-Y716 PolarHBondContact O-N 2.82Å; Y716-F718 VanDerWaalsContact C-N 3.3Å; Y716-F718 PolarHBondContact O-N 3.29Å; Y716-F719 CarbonylContact O-C 3.57Å; Y716-F719 PolarHBondContact O-N 3.26Å; Y716-F719 VanDerWaalsContact O-N 3.13Å; Y716-K720 HydrophobicContact CE1-CD 4.49Å; Y716-K720 HydrophobicContact CE1-CG 4.35Å; Y716-K720 WeakPolarHBondContact O-CA 3.46Å; Y716-K720 WeakPolarHBondContact O-CB 3.3Å; Y716-K720 PolarHBondContact O-N 3.06Å; Y716-A745 HydrophobicContact CD2-CB 3.82Å; Y716-A745 HydrophobicContact CG-CB 4.15Å; Y716-L750 HydrophobicContact CD1-CD2 3.5Å; Y716-L750 HydrophobicContact CD2-CD2 4.39Å; Y716-L750 HydrophobicContact CE1-CD2 4Å; Y716-L750 HydrophobicContact CG-CD2 3.73Å; Y716-D752 HydrophobicContact CE1-CB 3.92Å; Y716-D752 PolarHBondContact OH-O 3.34Å; Y716-C753 HydrophobicContact CD2-CB 4.31Å; Y716-C753 HydrophobicContact CE2-CB 3.7Å; Y716-C753 WeakPolarHBondContact OH-CA 3.46Å
717	N	96.9	Very high	95.6	Very high	65 Å²	65	50.6 Å²	50.6	35%	0.348	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-35.1	177.5	-74.1	-29.3	0	0	0	112.8	E713 E714 L715 F719 K720	E713-N717 WeakPolarHBondContact O-CB 3.41Å; E713-N717 PolarHBondContact O-N 3.48Å; E713-N717 PolarHBondContact O-ND2 3.41Å; E714-N717 PolarHBondContact O-N 2.84Å; L715-N717 VanDerWaalsContact C-N 3.34Å; N717-F719 VanDerWaalsContact C-N 3.27Å; N717-F719 PolarHBondContact O-N 3.36Å; N717-K720 PolarHBondContact O-N 3.31Å
718	F	97.1	Very high	95.4	Very high	104 Å²	104	51.7 Å²	51.7	46%	0.456	25%	0.245	S	C	.	.	H	α-helix	trans	-57.9	-39.8	173.8	177	-97.9	0	0	0	111.9	T676 E714 L715 Y716	T676-F718 HydrophobicContact CG2-CD2 4.33Å; T676-F718 HydrophobicContact CG2-CG 4.41Å; E714-F718 WeakPolarHBondContact O-CB 3.35Å; E714-F718 PolarHBondContact O-N 3.34Å; L715-F718 WeakPolarHBondContact O-CB 3.42Å; L715-F718 PolarHBondContact O-N 3.04Å; Y716-F718 VanDerWaalsContact C-N 3.3Å; Y716-F718 PolarHBondContact O-N 3.29Å
719	F	97.3	Very high	95.2	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-94.7	-11.3	178.5	-66	-62.9	0	0	0	115	L715 Y716 N717 N721 Q722 T723 P729 L734 N737 Q738 A741	L715-F719 HydrophobicContact CD1-CD2 4.3Å; L715-F719 HydrophobicContact CD1-CE2 3.73Å; L715-F719 HydrophobicContact CG-CD2 4.31Å; L715-F719 HydrophobicContact CG-CE2 4.1Å; L715-F719 VanDerWaalsContact O-CD2 3.31Å; L715-F719 WeakPolarHBondContact O-CD2 3.43Å; L715-F719 PolarHBondContact O-N 2.95Å; Y716-F719 CarbonylContact O-C 3.57Å; Y716-F719 PolarHBondContact O-N 3.26Å; Y716-F719 VanDerWaalsContact O-N 3.13Å; N717-F719 VanDerWaalsContact C-N 3.27Å; N717-F719 PolarHBondContact O-N 3.36Å; F719-N721 VanDerWaalsContact C-N 3.3Å; F719-N721 PolarHBondContact O-N 3.36Å; F719-N721 VanDerWaalsContact O-N 3.13Å; F719-Q722 PolarHBondContact O-N 2.94Å; F719-T723 PolarHBondContact O-N 3.43Å; F719-T723 PolarHBondContact O-OG1 3.1Å; F719-P729 HydrophobicContact CD1-CG 3.97Å; F719-P729 HydrophobicContact CE1-CG 3.6Å; F719-L734 HydrophobicContact CE1-CB 4.17Å; F719-L734 HydrophobicContact CZ-CB 4.25Å; F719-L734 HydrophobicContact CZ-CD2 4.18Å; F719-L734 WeakPolarHBondContact CZ-O 3.41Å; F719-N737 HydrophobicContact CE2-CB 4.26Å; F719-N737 HydrophobicContact CZ-CB 4.23Å; F719-Q738 HydrophobicContact CB-CG 4.01Å; F719-Q738 HydrophobicContact CD1-CB 3.98Å; F719-Q738 HydrophobicContact CD1-CG 4.15Å; F719-Q738 HydrophobicContact CD2-CB 4.14Å; F719-Q738 HydrophobicContact CD2-CG 4.43Å; F719-Q738 HydrophobicContact CE1-CB 4.13Å; F719-Q738 HydrophobicContact CE2-CB 4.25Å; F719-Q738 HydrophobicContact CG-CB 3.98Å; F719-Q738 HydrophobicContact CG-CG 3.95Å; F719-Q738 HydrophobicContact CZ-CB 4.25Å; F719-A741 HydrophobicContact CD2-CB 3.91Å; F719-A741 HydrophobicContact CE2-CB 4.39Å
720	K	94.5	Very high	95	Very high	56 Å²	56	55.8 Å²	55.8	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-48.1	-49.2	-169.4	-179.1	-179.9	177.7	87	0	112.9	Y716 N717 Q722 T723 D724 D752	Y716-K720 HydrophobicContact CE1-CD 4.49Å; Y716-K720 HydrophobicContact CE1-CG 4.35Å; Y716-K720 WeakPolarHBondContact O-CA 3.46Å; Y716-K720 WeakPolarHBondContact O-CB 3.3Å; Y716-K720 PolarHBondContact O-N 3.06Å; N717-K720 PolarHBondContact O-N 3.31Å; K720-Q722 VanDerWaalsContact C-N 3.33Å; K720-Q722 PolarHBondContact O-N 3.31Å; K720-T723 PolarHBondContact O-N 3.45Å; K720-D724 WeakPolarHBondContact CG-OD2 3.32Å; K720-D724 VanDerWaalsContact O-CB 3.28Å; K720-D724 WeakPolarHBondContact O-CB 3.46Å; K720-D724 PolarHBondContact O-N 3.34Å; K720-D752 IonicContact NZ-OD2 3.83Å; K720-D752 PolarHBondContact NZ-OD2 3.09Å
721	N	94.4	Very high	94.7	Very high	111 Å²	111	55 Å²	55	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-57	-46.5	179.2	-171.8	28.6	0	0	0	111.8	F719 Y725	F719-N721 VanDerWaalsContact C-N 3.3Å; F719-N721 PolarHBondContact O-N 3.36Å; F719-N721 VanDerWaalsContact O-N 3.13Å; N721-Y725 WeakPolarHBondContact O-CD2 3.48Å; N721-Y725 PolarHBondContact O-N 3.47Å; N721-Y725 VanDerWaalsContact OD1-CD2 3.28Å; N721-Y725 WeakPolarHBondContact OD1-CD2 3.19Å; N721-Y725 WeakPolarHBondContact OD1-CE2 3.26Å
722	Q	94.3	Very high	94.4	Very high	56 Å²	56	54.7 Å²	54.7	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-67.9	-44.5	-179.5	-68.5	170.3	-60.2	0	0	111.5	F719 K720 Y725 S726 T727	F719-Q722 PolarHBondContact O-N 2.94Å; K720-Q722 VanDerWaalsContact C-N 3.33Å; K720-Q722 PolarHBondContact O-N 3.31Å; Q722-Y725 CarbonylContact O-C 3.59Å; Q722-Y725 PolarHBondContact O-N 3.24Å; Q722-S726 PolarHBondContact O-N 2.85Å; Q722-S726 VanDerWaalsContact O-N 3.13Å; Q722-T727 CarbonylContact C-O 3.59Å; Q722-T727 VanDerWaalsContact CA-OG1 3.24Å; Q722-T727 WeakPolarHBondContact CA-OG1 3.47Å; Q722-T727 PolarHBondContact O-N 3.32Å; Q722-T727 VanDerWaalsContact O-O 3.13Å; Q722-T727 PolarHBondContact O-OG1 3.47Å
723	T	91.9	Very high	94	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-45.3	179.2	-55.4	0	0	0	0	112.2	F719 K720 Y725 S726 Q738 I742 M756	F719-T723 PolarHBondContact O-N 3.43Å; F719-T723 PolarHBondContact O-OG1 3.1Å; K720-T723 PolarHBondContact O-N 3.45Å; T723-Y725 VanDerWaalsContact C-N 3.25Å; T723-Y725 PolarHBondContact O-N 3.37Å; T723-S726 WeakPolarHBondContact O-CA 3.26Å; T723-S726 PolarHBondContact O-N 3.18Å; T723-Q738 PolarHBondContact OG1-NE2 2.9Å; T723-I742 HydrophobicContact CG2-CD1 3.55Å; T723-I742 HydrophobicContact CG2-CG1 3.97Å; T723-M756 HydrophobicContact CG2-CE 3.5Å; T723-M756 VanDerWaalsContact CG2-CE 3.5Å; T723-M756 HydrophobicContact CG2-CG 4.28Å; T723-M756 HydrophobicContact CG2-SD 3.74Å
724	D	91.3	Very high	93.9	Very high	53 Å²	53	53.6 Å²	53.6	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-32	179.6	-70.5	-6.8	0	0	0	111.7	K720 K760	K720-D724 WeakPolarHBondContact CG-OD2 3.32Å; K720-D724 VanDerWaalsContact O-CB 3.28Å; K720-D724 WeakPolarHBondContact O-CB 3.46Å; K720-D724 PolarHBondContact O-N 3.34Å; D724-K760 WeakPolarHBondContact O-CE 3.44Å; D724-K760 PolarHBondContact O-NZ 2.9Å
725	Y	93.2	Very high	93.7	Very high	171 Å²	171	48.5 Å²	48.5	67%	0.671	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	6.2	173	-70.2	-65.3	0	0	0	114.1	N721 Q722 T723 T727	N721-Y725 WeakPolarHBondContact O-CD2 3.48Å; N721-Y725 PolarHBondContact O-N 3.47Å; N721-Y725 VanDerWaalsContact OD1-CD2 3.28Å; N721-Y725 WeakPolarHBondContact OD1-CD2 3.19Å; N721-Y725 WeakPolarHBondContact OD1-CE2 3.26Å; Q722-Y725 CarbonylContact O-C 3.59Å; Q722-Y725 PolarHBondContact O-N 3.24Å; T723-Y725 VanDerWaalsContact C-N 3.25Å; T723-Y725 PolarHBondContact O-N 3.37Å; Y725-T727 PolarHBondContact O-N 3.31Å
726	S	91.9	Very high	93.5	Very high	14 Å²	14	49.6 Å²	49.6	10%	0.098	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	52.3	-176.4	-60	0	0	0	0	112.4	Q722 T723 K760 T772 H774	Q722-S726 PolarHBondContact O-N 2.85Å; Q722-S726 VanDerWaalsContact O-N 3.13Å; T723-S726 WeakPolarHBondContact O-CA 3.26Å; T723-S726 PolarHBondContact O-N 3.18Å; S726-K760 WeakPolarHBondContact OG-CD 3.39Å; S726-K760 WeakPolarHBondContact OG-CE 3.47Å; S726-T772 WeakPolarHBondContact CB-O 2.94Å; S726-H774 WeakPolarHBondContact O-CB 3.29Å
727	T	94.6	Very high	93.3	Very high	63 Å²	63	49.5 Å²	49.5	39%	0.387	25%	0.248	S	C	.	.			trans	-128.9	162.7	177.1	57	0	0	0	0	110.2	Q722 Y725 Q738	Q722-T727 CarbonylContact C-O 3.59Å; Q722-T727 VanDerWaalsContact CA-OG1 3.24Å; Q722-T727 WeakPolarHBondContact CA-OG1 3.47Å; Q722-T727 PolarHBondContact O-N 3.32Å; Q722-T727 VanDerWaalsContact O-O 3.13Å; Q722-T727 PolarHBondContact O-OG1 3.47Å; Y725-T727 PolarHBondContact O-N 3.31Å; T727-Q738 PolarHBondContact O-NE2 2.97Å
728	V	94.6	Very high	93.3	Very high	25 Å²	25	46.5 Å²	46.5	15%	0.152	23%	0.232	C	C	.	.			trans	-124.3	156.4	-178.4	-58.7	0	0	0	0	111.3	Q735 H774 N776 L777	V728-Q735 HydrophobicContact CB-CG 4.04Å; V728-Q735 HydrophobicContact CG2-CG 4.25Å; V728-H774 HydrophobicContact CG1-CB 4.5Å; V728-H774 WeakPolarHBondContact CG1-ND1 3.34Å; V728-N776 HydrophobicContact CG1-CB 4.12Å; V728-L777 HydrophobicContact CG1-CD1 4.45Å; V728-L777 HydrophobicContact CG1-CD2 4.28Å; V728-L777 HydrophobicContact CG1-CG 4.17Å
729	P	93.9	Very high	93.3	Very high	6 Å²	6	43 Å²	43	4%	0.039	22%	0.217	C	C	.	.			trans	-58.8	154	170.1	-23.3	31.3	0	0	0	113.6	F719 D731 L734 Q735	F719-P729 HydrophobicContact CD1-CG 3.97Å; F719-P729 HydrophobicContact CE1-CG 3.6Å; P729-D731 VanDerWaalsContact C-N 3.3Å; P729-L734 HydrophobicContact CB-CB 3.73Å; P729-L734 HydrophobicContact CB-CD1 4.39Å; P729-L734 HydrophobicContact CG-CB 3.84Å; P729-Q735 HydrophobicContact CB-CG 4.38Å; P729-Q735 VanDerWaalsContact O-CD 3.31Å; P729-Q735 VanDerWaalsContact O-CG 3.23Å; P729-Q735 WeakPolarHBondContact O-CG 3.45Å; P729-Q735 PolarHBondContact O-NE2 3.36Å
730	D	90.8	Very high	93.2	Very high	161 Å²	161	43.3 Å²	43.3	86%	0.861	22%	0.22	S	C	*	.	S	Bend	trans	-69.9	-29.3	171.8	-68.6	-28.9	0	0	0	112.4
731	D	91	Very high	93.3	Very high	58 Å²	58	40.7 Å²	40.7	31%	0.31	21%	0.208	S	C	.	.	S	Bend	trans	-80.7	126.4	-179.9	179.1	-88.1	0	0	0	111.5	Q424 P729 S733 L734 Q735	Q424-D731 PolarHBondContact NE2-OD2 2.68Å; P729-D731 VanDerWaalsContact C-N 3.3Å; D731-S733 WeakPolarHBondContact OD1-CB 3.47Å; D731-S733 PolarHBondContact OD1-N 2.83Å; D731-S733 VanDerWaalsContact OD1-N 3.1Å; D731-L734 HydrophobicContact CB-CB 4.13Å; D731-L734 HydrophobicContact CB-CD1 4.02Å; D731-L734 HydrophobicContact CB-CG 4.02Å; D731-L734 PolarHBondContact O-N 3.43Å; D731-L734 WeakPolarHBondContact OD1-CG 3.45Å; D731-L734 PolarHBondContact OD1-N 3.47Å; D731-Q735 WeakPolarHBondContact O-CG 3.07Å; D731-Q735 PolarHBondContact O-N 2.94Å; D731-Q735 VanDerWaalsContact O-N 3.09Å
732	H	89.4	Confident	93.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-44.8	-175	-162.4	-64.9	0	0	0	113.9	W370 L371 E374 K422 F423 L734 Q735 H736	W370-H732 AromaticContact CD2-CD2 3.55Å; W370-H732 AromaticContact CD2-NE2 3.91Å; W370-H732 AromaticContact CE2-CD2 3.75Å; W370-H732 HydrophobicContact CE3-CB 4.27Å; W370-H732 AromaticContact CE3-CD2 3.12Å; W370-H732 AromaticContact CE3-CG 3.86Å; W370-H732 AromaticContact CE3-NE2 3.7Å; W370-H732 HydrophobicContact CH2-CB 3.61Å; W370-H732 AromaticContact CH2-CD2 3.37Å; W370-H732 WeakPolarHBondContact CH2-CD2 3.36Å; W370-H732 AromaticContact CH2-CG 3.87Å; W370-H732 AromaticContact CZ2-CD2 3.66Å; W370-H732 VanDerWaalsContact CZ3-CA 3.48Å; W370-H732 HydrophobicContact CZ3-CB 3.42Å; W370-H732 VanDerWaalsContact CZ3-CB 3.42Å; W370-H732 AromaticContact CZ3-CD2 3.1Å; W370-H732 WeakPolarHBondContact CZ3-CD2 3.39Å; W370-H732 AromaticContact CZ3-CG 3.5Å; L371-H732 WeakPolarHBondContact CD2-CE1 3.42Å; E374-H732 IonicContact OE2-CE1 3.95Å; E374-H732 PolarHBondContact OE2-CE1 3.4Å; E374-H732 IonicContact OE2-ND1 3.4Å; E374-H732 IonicContact OE2-NE2 2.87Å; E374-H732 PolarHBondContact OE2-NE2 3.39Å; K422-H732 VanDerWaalsContact O-CB 3.24Å; K422-H732 WeakPolarHBondContact O-CB 3.48Å; F423-H732 AromaticContact CD1-CD2 3.43Å; F423-H732 VanDerWaalsContact CD1-CD2 3.43Å; F423-H732 WeakPolarHBondContact CD1-CD2 3.47Å; F423-H732 AromaticContact CD1-NE2 3.57Å; H732-L734 VanDerWaalsContact C-N 3.25Å; H732-L734 PolarHBondContact O-N 3.43Å; H732-Q735 WeakPolarHBondContact O-CB 3.48Å; H732-Q735 PolarHBondContact O-N 2.7Å; H732-H736 AromaticContact CE1-CD2 3.62Å; H732-H736 AromaticContact CE1-NE2 3.21Å; H732-H736 PolarHBondContact CE1-NE2 2.78Å; H732-H736 AromaticContact ND1-CD2 3.38Å; H732-H736 PolarHBondContact ND1-CD2 3.17Å; H732-H736 AromaticContact ND1-NE2 3.46Å; H732-H736 PolarHBondContact ND1-NE2 3.18Å; H732-H736 PolarHBondContact O-N 3.47Å
733	S	89.6	Confident	93.6	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-37.5	177.9	-60.8	0	0	0	0	110.6	E427 Y678 D731 Q735 H736 N737	E427-S733 PolarHBondContact OE2-OG 3.38Å; Y678-S733 WeakPolarHBondContact CB-O 3.44Å; D731-S733 WeakPolarHBondContact OD1-CB 3.47Å; D731-S733 PolarHBondContact OD1-N 2.83Å; D731-S733 VanDerWaalsContact OD1-N 3.1Å; S733-Q735 PolarHBondContact O-N 3.23Å; S733-H736 PolarHBondContact O-N 2.94Å; S733-N737 PolarHBondContact O-N 2.78Å
734	L	93.1	Very high	93.9	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.225	19%	0.189	C	C	.	.	H	α-helix	trans	-68.3	-28.9	173.4	-66	-175.4	0	0	0	113.6	F719 P729 D731 H732 N737 Q738	F719-L734 HydrophobicContact CE1-CB 4.17Å; F719-L734 HydrophobicContact CZ-CB 4.25Å; F719-L734 HydrophobicContact CZ-CD2 4.18Å; F719-L734 WeakPolarHBondContact CZ-O 3.41Å; P729-L734 HydrophobicContact CB-CB 3.73Å; P729-L734 HydrophobicContact CB-CD1 4.39Å; P729-L734 HydrophobicContact CG-CB 3.84Å; D731-L734 HydrophobicContact CB-CB 4.13Å; D731-L734 HydrophobicContact CB-CD1 4.02Å; D731-L734 HydrophobicContact CB-CG 4.02Å; D731-L734 PolarHBondContact O-N 3.43Å; D731-L734 WeakPolarHBondContact OD1-CG 3.45Å; D731-L734 PolarHBondContact OD1-N 3.47Å; H732-L734 VanDerWaalsContact C-N 3.25Å; H732-L734 PolarHBondContact O-N 3.43Å; L734-N737 PolarHBondContact O-N 3.43Å; L734-Q738 WeakPolarHBondContact O-CB 3.48Å; L734-Q738 PolarHBondContact O-N 2.9Å
735	Q	93.6	Very high	94.2	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-42.4	174	-61.6	-171.8	23.7	0	0	111.7	V728 P729 D731 H732 S733 N737 Q738 I739 N776	V728-Q735 HydrophobicContact CB-CG 4.04Å; V728-Q735 HydrophobicContact CG2-CG 4.25Å; P729-Q735 HydrophobicContact CB-CG 4.38Å; P729-Q735 VanDerWaalsContact O-CD 3.31Å; P729-Q735 VanDerWaalsContact O-CG 3.23Å; P729-Q735 WeakPolarHBondContact O-CG 3.45Å; P729-Q735 PolarHBondContact O-NE2 3.36Å; D731-Q735 WeakPolarHBondContact O-CG 3.07Å; D731-Q735 PolarHBondContact O-N 2.94Å; D731-Q735 VanDerWaalsContact O-N 3.09Å; H732-Q735 WeakPolarHBondContact O-CB 3.48Å; H732-Q735 PolarHBondContact O-N 2.7Å; S733-Q735 PolarHBondContact O-N 3.23Å; Q735-N737 VanDerWaalsContact C-N 3.34Å; Q735-Q738 PolarHBondContact O-N 3.12Å; Q735-I739 PolarHBondContact O-N 3.22Å; Q735-N776 PolarHBondContact OE1-ND2 3.35Å
736	H	91.9	Very high	94.4	Very high	25 Å²	25	26.8 Å²	26.8	12%	0.116	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-47.3	170.9	-76.2	-65.4	0	0	0	110.7	L371 E374 Y678 H732 S733 Q738 I739 T740	L371-H736 WeakPolarHBondContact CD2-CE1 3.2Å; E374-H736 IonicContact OE2-NE2 3.21Å; E374-H736 PolarHBondContact OE2-NE2 3.16Å; Y678-H736 HydrophobicContact CD1-CB 4.35Å; Y678-H736 HydrophobicContact CD2-CB 3.65Å; Y678-H736 HydrophobicContact CE1-CB 4.21Å; Y678-H736 HydrophobicContact CE2-CB 3.49Å; Y678-H736 VanDerWaalsContact CE2-CB 3.49Å; Y678-H736 HydrophobicContact CG-CB 4.09Å; H732-H736 AromaticContact CE1-CD2 3.62Å; H732-H736 AromaticContact CE1-NE2 3.21Å; H732-H736 PolarHBondContact CE1-NE2 2.78Å; H732-H736 AromaticContact ND1-CD2 3.38Å; H732-H736 PolarHBondContact ND1-CD2 3.17Å; H732-H736 AromaticContact ND1-NE2 3.46Å; H732-H736 PolarHBondContact ND1-NE2 3.18Å; H732-H736 PolarHBondContact O-N 3.47Å; S733-H736 PolarHBondContact O-N 2.94Å; H736-Q738 VanDerWaalsContact C-N 3.3Å; H736-Q738 PolarHBondContact O-N 3.01Å; H736-I739 WeakPolarHBondContact O-CB 3.36Å; H736-I739 PolarHBondContact O-N 2.92Å; H736-T740 PolarHBondContact O-N 3.3Å; H736-T740 VanDerWaalsContact O-N 3.09Å; H736-T740 PolarHBondContact O-OG1 2.66Å
737	N	94.5	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-27.2	-178.6	-152.3	20.2	0	0	0	113.7	T676 A677 Y678 F719 S733 L734 Q735 I739 T740 A741	T676-N737 PolarHBondContact O-ND2 3.42Å; A677-N737 PolarHBondContact O-ND2 3.38Å; Y678-N737 HydrophobicContact CD2-CB 4.17Å; F719-N737 HydrophobicContact CE2-CB 4.26Å; F719-N737 HydrophobicContact CZ-CB 4.23Å; S733-N737 PolarHBondContact O-N 2.78Å; L734-N737 PolarHBondContact O-N 3.43Å; Q735-N737 VanDerWaalsContact C-N 3.34Å; N737-I739 VanDerWaalsContact C-N 3.31Å; N737-T740 PolarHBondContact O-N 2.9Å; N737-A741 VanDerWaalsContact O-CB 3.31Å; N737-A741 WeakPolarHBondContact O-CB 3.34Å; N737-A741 PolarHBondContact O-N 3.11Å
738	Q	97	Very high	94.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-40.3	171.5	-178.1	-178	24.8	0	0	111	F719 T723 T727 L734 Q735 H736 A741 I742 L777	F719-Q738 HydrophobicContact CB-CG 4.01Å; F719-Q738 HydrophobicContact CD1-CB 3.98Å; F719-Q738 HydrophobicContact CD1-CG 4.15Å; F719-Q738 HydrophobicContact CD2-CB 4.14Å; F719-Q738 HydrophobicContact CD2-CG 4.43Å; F719-Q738 HydrophobicContact CE1-CB 4.13Å; F719-Q738 HydrophobicContact CE2-CB 4.25Å; F719-Q738 HydrophobicContact CG-CB 3.98Å; F719-Q738 HydrophobicContact CG-CG 3.95Å; F719-Q738 HydrophobicContact CZ-CB 4.25Å; T723-Q738 PolarHBondContact OG1-NE2 2.9Å; T727-Q738 PolarHBondContact O-NE2 2.97Å; L734-Q738 WeakPolarHBondContact O-CB 3.48Å; L734-Q738 PolarHBondContact O-N 2.9Å; Q735-Q738 PolarHBondContact O-N 3.12Å; H736-Q738 VanDerWaalsContact C-N 3.3Å; H736-Q738 PolarHBondContact O-N 3.01Å; Q738-A741 PolarHBondContact O-N 3.41Å; Q738-I742 HydrophobicContact CG-CD1 4.14Å; Q738-I742 WeakPolarHBondContact O-CD1 3.49Å; Q738-I742 VanDerWaalsContact O-CG1 3.27Å; Q738-I742 WeakPolarHBondContact O-CG1 3.24Å; Q738-I742 PolarHBondContact O-N 2.89Å; Q738-I742 VanDerWaalsContact O-N 3.07Å; Q738-L777 HydrophobicContact CG-CD2 4.13Å
739	I	95.6	Very high	94.7	Very high	30 Å²	30	25.9 Å²	25.9	15%	0.154	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-48.6	176.1	-63.4	171.3	0	0	0	109.9	L371 Q735 H736 N737 A741 I742 E743 N776 L777 V780	L371-I739 HydrophobicContact CD1-CD1 3.25Å; Q735-I739 PolarHBondContact O-N 3.22Å; H736-I739 WeakPolarHBondContact O-CB 3.36Å; H736-I739 PolarHBondContact O-N 2.92Å; N737-I739 VanDerWaalsContact C-N 3.31Å; I739-A741 VanDerWaalsContact C-N 3.26Å; I739-A741 PolarHBondContact O-N 3.24Å; I739-I742 PolarHBondContact O-N 3.43Å; I739-I742 VanDerWaalsContact O-N 3.17Å; I739-E743 WeakPolarHBondContact O-CB 3.3Å; I739-E743 PolarHBondContact O-N 3.33Å; I739-N776 VanDerWaalsContact CD1-O 3.28Å; I739-N776 WeakPolarHBondContact CD1-O 3.23Å; I739-L777 HydrophobicContact CG1-CD2 4.26Å; I739-V780 HydrophobicContact CG2-CB 4.13Å; I739-V780 HydrophobicContact CG2-CG1 4.2Å
740	T	95.6	Very high	94.9	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-54.9	-43.8	175.1	-51.7	0	0	0	0	111.1	I685 H736 N737 I742 E743 V744	I685-T740 HydrophobicContact CG1-CG2 3.89Å; H736-T740 PolarHBondContact O-N 3.3Å; H736-T740 VanDerWaalsContact O-N 3.09Å; H736-T740 PolarHBondContact O-OG1 2.66Å; N737-T740 PolarHBondContact O-N 2.9Å; T740-I742 PolarHBondContact O-N 3.39Å; T740-E743 PolarHBondContact O-N 3.33Å; T740-V744 HydrophobicContact CG2-CG2 4.2Å; T740-V744 WeakPolarHBondContact O-CB 3.4Å; T740-V744 VanDerWaalsContact O-CG2 3.22Å; T740-V744 WeakPolarHBondContact O-CG2 3.37Å; T740-V744 PolarHBondContact O-N 3.16Å
741	A	97.8	Very high	95.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-46.9	178	0	0	0	0	0	112.3	L715 F719 N737 Q738 I739 A745	L715-A741 HydrophobicContact CD2-CB 3.64Å; L715-A741 HydrophobicContact CG-CB 3.74Å; F719-A741 HydrophobicContact CD2-CB 3.91Å; F719-A741 HydrophobicContact CE2-CB 4.39Å; N737-A741 VanDerWaalsContact O-CB 3.31Å; N737-A741 WeakPolarHBondContact O-CB 3.34Å; N737-A741 PolarHBondContact O-N 3.11Å; Q738-A741 PolarHBondContact O-N 3.41Å; I739-A741 VanDerWaalsContact C-N 3.26Å; I739-A741 PolarHBondContact O-N 3.24Å; A741-A745 WeakPolarHBondContact O-CB 3.46Å; A741-A745 PolarHBondContact O-N 2.97Å
742	I	97.8	Very high	95.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-46.4	178.6	-63.9	163.2	0	0	0	110.3	T723 Q738 I739 T740 A745 C746 C753 M756 L777 V780	T723-I742 HydrophobicContact CG2-CD1 3.55Å; T723-I742 HydrophobicContact CG2-CG1 3.97Å; Q738-I742 HydrophobicContact CG-CD1 4.14Å; Q738-I742 WeakPolarHBondContact O-CD1 3.49Å; Q738-I742 VanDerWaalsContact O-CG1 3.27Å; Q738-I742 WeakPolarHBondContact O-CG1 3.24Å; Q738-I742 PolarHBondContact O-N 2.89Å; Q738-I742 VanDerWaalsContact O-N 3.07Å; I739-I742 PolarHBondContact O-N 3.43Å; I739-I742 VanDerWaalsContact O-N 3.17Å; T740-I742 PolarHBondContact O-N 3.39Å; I742-A745 PolarHBondContact O-N 3.49Å; I742-C746 VanDerWaalsContact O-CB 3.25Å; I742-C746 WeakPolarHBondContact O-CB 3.41Å; I742-C746 PolarHBondContact O-N 3.4Å; I742-C753 PolarHBondContact O-SG 3.45Å; I742-M756 HydrophobicContact CG2-CE 4.04Å; I742-L777 HydrophobicContact CD1-CD2 3.91Å; I742-V780 HydrophobicContact CB-CG1 4.27Å; I742-V780 HydrophobicContact CB-CG2 4.11Å; I742-V780 HydrophobicContact CD1-CG1 4.3Å; I742-V780 HydrophobicContact CG2-CB 4.49Å; I742-V780 HydrophobicContact CG2-CG1 3.99Å; I742-V780 HydrophobicContact CG2-CG2 3.68Å
743	E	96.6	Very high	95.8	Very high	87 Å²	87	23.1 Å²	23.1	41%	0.407	14%	0.136	S	C	.	.	H	α-helix	trans	-60.4	-50.8	-177.9	-179.6	167.5	-163.2	0	0	111.3	I739 T740 S747 V780	I739-E743 WeakPolarHBondContact O-CB 3.3Å; I739-E743 PolarHBondContact O-N 3.33Å; T740-E743 PolarHBondContact O-N 3.33Å; E743-S747 WeakPolarHBondContact O-CB 3.27Å; E743-S747 PolarHBondContact O-N 3.08Å; E743-S747 PolarHBondContact O-OG 3.3Å; E743-V780 HydrophobicContact CB-CG2 3.84Å
744	V	97.4	Very high	96.2	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-41.9	-179.8	178.2	0	0	0	0	110.6	I685 L708 V712 T740 S747 N748	I685-V744 HydrophobicContact CD1-CG1 4.21Å; I685-V744 HydrophobicContact CD1-CG2 3.45Å; I685-V744 VanDerWaalsContact CD1-CG2 3.45Å; I685-V744 HydrophobicContact CG1-CG2 3.75Å; I685-V744 HydrophobicContact CG2-CG2 4.34Å; L708-V744 HydrophobicContact CB-CG1 4.45Å; V712-V744 HydrophobicContact CB-CB 4.37Å; V712-V744 HydrophobicContact CB-CG1 3.85Å; V712-V744 HydrophobicContact CG1-CG1 4.03Å; V712-V744 HydrophobicContact CG2-CB 3.98Å; V712-V744 HydrophobicContact CG2-CG1 4.02Å; T740-V744 HydrophobicContact CG2-CG2 4.2Å; T740-V744 WeakPolarHBondContact O-CB 3.4Å; T740-V744 VanDerWaalsContact O-CG2 3.22Å; T740-V744 WeakPolarHBondContact O-CG2 3.37Å; T740-V744 PolarHBondContact O-N 3.16Å; V744-S747 PolarHBondContact O-OG 3Å; V744-N748 VanDerWaalsContact O-CB 3.31Å; V744-N748 WeakPolarHBondContact O-CB 3.46Å; V744-N748 PolarHBondContact O-N 3.38Å; V744-N748 PolarHBondContact O-ND2 2.93Å
745	A	98.1	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-51.1	178.5	0	0	0	0	0	112.5	V712 Y716 A741 I742 N748 G749 L750 C753	V712-A745 HydrophobicContact CG1-CB 3.91Å; Y716-A745 HydrophobicContact CD2-CB 3.82Å; Y716-A745 HydrophobicContact CG-CB 4.15Å; A741-A745 WeakPolarHBondContact O-CB 3.46Å; A741-A745 PolarHBondContact O-N 2.97Å; I742-A745 PolarHBondContact O-N 3.49Å; A745-N748 CarbonylContact O-C 3.52Å; A745-G749 PolarHBondContact O-N 2.8Å; A745-L750 HydrophobicContact CB-CB 4.02Å; A745-L750 HydrophobicContact CB-CD2 3.74Å; A745-L750 VanDerWaalsContact O-CB 3.25Å; A745-L750 WeakPolarHBondContact O-CB 3.16Å; A745-L750 PolarHBondContact O-N 2.96Å; A745-C753 HydrophobicContact CB-CB 3.86Å
746	C	97.8	Very high	96.6	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-70.6	-44.1	-176.2	-80	0	0	0	0	112.2	I742 N748 G749 C753 Q784	I742-C746 VanDerWaalsContact O-CB 3.25Å; I742-C746 WeakPolarHBondContact O-CB 3.41Å; I742-C746 PolarHBondContact O-N 3.4Å; C746-N748 PolarHBondContact O-N 2.93Å; C746-G749 PolarHBondContact O-N 3.23Å; C746-C753 VanDerWaalsContact CA-SG 3.53Å; C746-C753 HydrophobicContact CB-CB 4.12Å; C746-C753 WeakPolarHBondContact CB-SG 3.3Å; C746-C753 PolarHBondContact N-SG 2.75Å; C746-C753 WeakPolarHBondContact SG-CB 3.31Å; C746-C753 PolarHBondContact SG-O 3.44Å; C746-C753 CovalentContact SG-SG 2.05Å; C746-C753 PolarHBondContact SG-SG 3.07Å; C746-Q784 HydrophobicContact CB-CB 4Å; C746-Q784 VanDerWaalsContact CB-CD 3.5Å; C746-Q784 HydrophobicContact CB-CG 3.48Å; C746-Q784 VanDerWaalsContact CB-CG 3.48Å
747	S	95.6	Very high	96.8	Very high	48 Å²	48	26.5 Å²	26.5	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-63.6	-28.6	179.3	62.2	0	0	0	0	112.8	Q705 E743 V744	Q705-S747 PolarHBondContact NE2-O 2.83Å; E743-S747 WeakPolarHBondContact O-CB 3.27Å; E743-S747 PolarHBondContact O-N 3.08Å; E743-S747 PolarHBondContact O-OG 3.3Å; V744-S747 PolarHBondContact O-OG 3Å
748	N	96.4	Very high	97	Very high	4 Å²	4	29 Å²	29	2%	0.021	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	11.5	174.3	-64.7	-74.8	0	0	0	113.1	Q705 L708 R709 V744 A745 C746	Q705-N748 WeakPolarHBondContact CA-OD1 3.5Å; Q705-N748 HydrophobicContact CB-CB 4.46Å; Q705-N748 WeakPolarHBondContact CG-OD1 3.37Å; L708-N748 HydrophobicContact CB-CB 4.46Å; R709-N748 HydrophobicContact CB-CB 4.28Å; R709-N748 PolarHBondContact NE-O 2.96Å; R709-N748 PolarHBondContact NH2-O 2.92Å; V744-N748 VanDerWaalsContact O-CB 3.31Å; V744-N748 WeakPolarHBondContact O-CB 3.46Å; V744-N748 PolarHBondContact O-N 3.38Å; V744-N748 PolarHBondContact O-ND2 2.93Å; A745-N748 CarbonylContact O-C 3.52Å; C746-N748 PolarHBondContact O-N 2.93Å
749	G	95.7	Very high	96.9	Very high	31 Å²	31	33.9 Å²	33.9	32%	0.32	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	32.6	168.4	0	0	0	0	0	115.2	R709 A745 C746 P751	R709-G749 PolarHBondContact NE-O 3.21Å; A745-G749 PolarHBondContact O-N 2.8Å; C746-G749 PolarHBondContact O-N 3.23Å; G749-P751 VanDerWaalsContact O-CD 3.29Å; G749-P751 WeakPolarHBondContact O-CD 3.38Å
750	L	97.3	Very high	96.9	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.079	19%	0.19	C	C	.	.			trans	-62.7	117	167.5	-174	68.2	0	0	0	109	R709 Y716 A745 D752 C753 V754	R709-L750 HydrophobicContact CG-CB 4.19Å; R709-L750 HydrophobicContact CG-CD1 3.93Å; Y716-L750 HydrophobicContact CD1-CD2 3.5Å; Y716-L750 HydrophobicContact CD2-CD2 4.39Å; Y716-L750 HydrophobicContact CE1-CD2 4Å; Y716-L750 HydrophobicContact CG-CD2 3.73Å; A745-L750 HydrophobicContact CB-CB 4.02Å; A745-L750 HydrophobicContact CB-CD2 3.74Å; A745-L750 VanDerWaalsContact O-CB 3.25Å; A745-L750 WeakPolarHBondContact O-CB 3.16Å; A745-L750 PolarHBondContact O-N 2.96Å; L750-D752 PolarHBondContact O-N 3.23Å; L750-C753 HydrophobicContact CB-CB 4.13Å; L750-C753 HydrophobicContact CD2-CB 4.33Å; L750-C753 PolarHBondContact O-N 2.88Å; L750-C753 VanDerWaalsContact O-N 3.07Å; L750-V754 PolarHBondContact O-N 3.49Å; L750-V754 VanDerWaalsContact O-N 3.14Å
751	P	96.1	Very high	96.9	Very high	83 Å²	83	33.5 Å²	33.5	54%	0.539	19%	0.188	S	C	.	.	H	α-helix	trans	-54.8	-48.2	-172.4	-29.2	36.9	0	0	0	113.5	G749 C753 V754 E755	G749-P751 VanDerWaalsContact O-CD 3.29Å; G749-P751 WeakPolarHBondContact O-CD 3.38Å; P751-C753 VanDerWaalsContact C-N 3.27Å; P751-C753 PolarHBondContact O-N 2.91Å; P751-V754 PolarHBondContact O-N 3.06Å; P751-E755 WeakPolarHBondContact O-CB 3.45Å; P751-E755 PolarHBondContact O-N 2.76Å
752	D	96.4	Very high	96.8	Very high	70 Å²	70	35.4 Å²	35.4	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-56.9	-36.8	178.5	-76	31.5	0	0	0	113.4	Y716 K720 L750 M756	Y716-D752 HydrophobicContact CE1-CB 3.92Å; Y716-D752 PolarHBondContact OH-O 3.34Å; K720-D752 IonicContact NZ-OD2 3.83Å; K720-D752 PolarHBondContact NZ-OD2 3.09Å; L750-D752 PolarHBondContact O-N 3.23Å; D752-M756 VanDerWaalsContact O-CB 3.27Å; D752-M756 WeakPolarHBondContact O-CB 3.43Å; D752-M756 PolarHBondContact O-N 3.45Å
753	C	98	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.4	-46	179.5	-171.8	0	0	0	0	111	Y716 I742 A745 C746 L750 P751 E755 M756 A757	Y716-C753 HydrophobicContact CD2-CB 4.31Å; Y716-C753 HydrophobicContact CE2-CB 3.7Å; Y716-C753 WeakPolarHBondContact OH-CA 3.46Å; I742-C753 PolarHBondContact O-SG 3.45Å; A745-C753 HydrophobicContact CB-CB 3.86Å; C746-C753 VanDerWaalsContact CA-SG 3.53Å; C746-C753 HydrophobicContact CB-CB 4.12Å; C746-C753 WeakPolarHBondContact CB-SG 3.3Å; C746-C753 PolarHBondContact N-SG 2.75Å; C746-C753 WeakPolarHBondContact SG-CB 3.31Å; C746-C753 PolarHBondContact SG-O 3.44Å; C746-C753 CovalentContact SG-SG 2.05Å; C746-C753 PolarHBondContact SG-SG 3.07Å; L750-C753 HydrophobicContact CB-CB 4.13Å; L750-C753 HydrophobicContact CD2-CB 4.33Å; L750-C753 PolarHBondContact O-N 2.88Å; L750-C753 VanDerWaalsContact O-N 3.07Å; P751-C753 VanDerWaalsContact C-N 3.27Å; P751-C753 PolarHBondContact O-N 2.91Å; C753-E755 VanDerWaalsContact C-N 3.34Å; C753-M756 PolarHBondContact O-N 3.32Å; C753-A757 PolarHBondContact O-N 2.99Å
754	V	97.6	Very high	96.5	Very high	47 Å²	47	34.8 Å²	34.8	29%	0.285	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-43.5	179.9	178.2	0	0	0	0	110.3	L750 P751 A757 T758 A788	L750-V754 PolarHBondContact O-N 3.49Å; L750-V754 VanDerWaalsContact O-N 3.14Å; P751-V754 PolarHBondContact O-N 3.06Å; V754-A757 PolarHBondContact O-N 2.76Å; V754-T758 HydrophobicContact CG1-CG2 4.39Å; V754-T758 WeakPolarHBondContact O-CB 3.39Å; V754-T758 VanDerWaalsContact O-CG2 3.27Å; V754-T758 WeakPolarHBondContact O-CG2 3.46Å; V754-T758 PolarHBondContact O-N 3.47Å; V754-T758 PolarHBondContact O-OG1 3Å; V754-A788 HydrophobicContact CG1-CB 4.08Å
755	E	97.5	Very high	96.3	Very high	112 Å²	112	36 Å²	36	52%	0.523	21%	0.205	S	C	.	.	H	α-helix	trans	-57.6	-53.4	173.9	-173.7	169.3	-156.6	0	0	110.4	P751 C753 A757 T758 E759	P751-E755 WeakPolarHBondContact O-CB 3.45Å; P751-E755 PolarHBondContact O-N 2.76Å; C753-E755 VanDerWaalsContact C-N 3.34Å; E755-A757 PolarHBondContact O-N 2.93Å; E755-T758 PolarHBondContact O-N 3.49Å; E755-T758 PolarHBondContact O-OG1 2.83Å; E755-E759 HydrophobicContact CG-CG 4.32Å; E755-E759 WeakPolarHBondContact O-CB 3.32Å; E755-E759 WeakPolarHBondContact O-CG 3.22Å; E755-E759 PolarHBondContact O-N 3.2Å
756	M	97.2	Very high	95.9	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-53.4	-50.9	177.3	178.5	-76.6	-60	0	0	112.5	T723 I742 D752 C753 T758 E759 K760 I781	T723-M756 HydrophobicContact CG2-CE 3.5Å; T723-M756 VanDerWaalsContact CG2-CE 3.5Å; T723-M756 HydrophobicContact CG2-CG 4.28Å; T723-M756 HydrophobicContact CG2-SD 3.74Å; I742-M756 HydrophobicContact CG2-CE 4.04Å; D752-M756 VanDerWaalsContact O-CB 3.27Å; D752-M756 WeakPolarHBondContact O-CB 3.43Å; D752-M756 PolarHBondContact O-N 3.45Å; C753-M756 PolarHBondContact O-N 3.32Å; M756-T758 VanDerWaalsContact C-N 3.35Å; M756-T758 PolarHBondContact O-N 3.4Å; M756-E759 PolarHBondContact O-N 3.31Å; M756-K760 WeakPolarHBondContact O-CB 3.4Å; M756-K760 VanDerWaalsContact O-CG 3.28Å; M756-K760 WeakPolarHBondContact O-CG 3.39Å; M756-K760 PolarHBondContact O-N 3.26Å; M756-K760 HydrophobicContact SD-CG 3.98Å; M756-I781 HydrophobicContact SD-CD1 4.22Å; M756-I781 HydrophobicContact SD-CG1 4.45Å
757	A	97.4	Very high	95.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-42	-178.1	0	0	0	0	0	111.8	C753 V754 E755 F761 Q784	C753-A757 PolarHBondContact O-N 2.99Å; V754-A757 PolarHBondContact O-N 2.76Å; E755-A757 PolarHBondContact O-N 2.93Å; A757-F761 WeakPolarHBondContact O-CB 3.49Å; A757-F761 PolarHBondContact O-N 3.48Å; A757-F761 VanDerWaalsContact O-N 3.11Å; A757-Q784 HydrophobicContact CB-CB 3.91Å
758	T	97.2	Very high	93.7	Very high	52 Å²	52	52.8 Å²	52.8	32%	0.319	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-40.9	178.4	57.9	0	0	0	0	112.7	V754 E755 M756 A762 A788	V754-T758 HydrophobicContact CG1-CG2 4.39Å; V754-T758 WeakPolarHBondContact O-CB 3.39Å; V754-T758 VanDerWaalsContact O-CG2 3.27Å; V754-T758 WeakPolarHBondContact O-CG2 3.46Å; V754-T758 PolarHBondContact O-N 3.47Å; V754-T758 PolarHBondContact O-OG1 3Å; E755-T758 PolarHBondContact O-N 3.49Å; E755-T758 PolarHBondContact O-OG1 2.83Å; M756-T758 VanDerWaalsContact C-N 3.35Å; M756-T758 PolarHBondContact O-N 3.4Å; T758-A762 VanDerWaalsContact O-CB 3.29Å; T758-A762 WeakPolarHBondContact O-CB 3.37Å; T758-A762 PolarHBondContact O-N 2.97Å; T758-A788 HydrophobicContact CG2-CB 3.64Å
759	E	96	Very high	92.4	Very high	104 Å²	104	57.8 Å²	57.8	49%	0.486	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-47.7	176.6	-73.6	-174.2	156.6	0	0	111.5	E755 M756 F761 A762 E763	E755-E759 HydrophobicContact CG-CG 4.32Å; E755-E759 WeakPolarHBondContact O-CB 3.32Å; E755-E759 WeakPolarHBondContact O-CG 3.22Å; E755-E759 PolarHBondContact O-N 3.2Å; M756-E759 PolarHBondContact O-N 3.31Å; E759-F761 VanDerWaalsContact C-N 3.33Å; E759-F761 PolarHBondContact O-N 3.18Å; E759-A762 PolarHBondContact O-N 3.49Å; E759-E763 WeakPolarHBondContact O-CG 3.35Å; E759-E763 PolarHBondContact O-N 3.48Å
760	K	95.2	Very high	91.7	Very high	30 Å²	30	60.5 Å²	60.5	13%	0.13	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-41	178.9	-68.6	-59.9	176.8	-161.1	0	112.7	D724 S726 M756 E763 W764 I773 I781	D724-K760 WeakPolarHBondContact O-CE 3.44Å; D724-K760 PolarHBondContact O-NZ 2.9Å; S726-K760 WeakPolarHBondContact OG-CD 3.39Å; S726-K760 WeakPolarHBondContact OG-CE 3.47Å; M756-K760 WeakPolarHBondContact O-CB 3.4Å; M756-K760 VanDerWaalsContact O-CG 3.28Å; M756-K760 WeakPolarHBondContact O-CG 3.39Å; M756-K760 PolarHBondContact O-N 3.26Å; M756-K760 HydrophobicContact SD-CG 3.98Å; K760-E763 IonicContact NZ-OE2 3.92Å; K760-E763 PolarHBondContact O-N 3.17Å; K760-W764 PolarHBondContact O-N 3.29Å; K760-W764 VanDerWaalsContact O-N 3.17Å; K760-I773 HydrophobicContact CB-CD1 4.33Å; K760-I773 HydrophobicContact CB-CG1 4.1Å; K760-I781 HydrophobicContact CB-CG2 4.19Å
761	F	95.8	Very high	91.4	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-68.9	-39.9	176.8	-162.2	-93.9	0	0	0	111.6	A757 E759 W764 M765 Y782 A785 V786 E793 F796 A797	A757-F761 WeakPolarHBondContact O-CB 3.49Å; A757-F761 PolarHBondContact O-N 3.48Å; A757-F761 VanDerWaalsContact O-N 3.11Å; E759-F761 VanDerWaalsContact C-N 3.33Å; E759-F761 PolarHBondContact O-N 3.18Å; F761-W764 AromaticContact CD2-CE3 3.99Å; F761-W764 HydrophobicContact CD2-CE3 3.99Å; F761-W764 HydrophobicContact CD2-CZ3 4.31Å; F761-W764 AromaticContact CE2-CE3 3.76Å; F761-W764 HydrophobicContact CE2-CE3 3.76Å; F761-W764 AromaticContact CE2-CZ3 3.66Å; F761-W764 HydrophobicContact CE2-CZ3 3.66Å; F761-W764 HydrophobicContact CZ-CE3 4.35Å; F761-W764 HydrophobicContact CZ-CZ3 4.21Å; F761-W764 WeakPolarHBondContact O-CB 3.4Å; F761-W764 PolarHBondContact O-N 2.83Å; F761-M765 HydrophobicContact CD1-CG 4.03Å; F761-M765 HydrophobicContact CD1-SD 3.61Å; F761-M765 HydrophobicContact CE1-CG 4Å; F761-M765 HydrophobicContact CE1-SD 3.66Å; F761-M765 WeakPolarHBondContact O-CG 3.5Å; F761-M765 PolarHBondContact O-N 3.16Å; F761-Y782 AromaticContact CD2-CD1 3.92Å; F761-Y782 HydrophobicContact CD2-CD1 3.92Å; F761-Y782 AromaticContact CE2-CD1 3.84Å; F761-Y782 HydrophobicContact CE2-CD1 3.84Å; F761-Y782 HydrophobicContact CE2-CE1 4.48Å; F761-Y782 HydrophobicContact CE2-CG 4.28Å; F761-A785 HydrophobicContact CB-CB 3.37Å; F761-A785 HydrophobicContact CD1-CB 4.07Å; F761-A785 HydrophobicContact CD2-CB 3.81Å; F761-A785 HydrophobicContact CG-CB 3.48Å; F761-A785 VanDerWaalsContact CG-CB 3.48Å; F761-V786 HydrophobicContact CZ-CG2 4.4Å; F761-E793 HydrophobicContact CD1-CB 4.36Å; F761-E793 HydrophobicContact CD1-CG 4.2Å; F761-E793 HydrophobicContact CE1-CB 3.9Å; F761-E793 HydrophobicContact CE1-CG 4.21Å; F761-F796 AromaticContact CE1-CD1 3.79Å; F761-F796 HydrophobicContact CE1-CD1 3.79Å; F761-F796 HydrophobicContact CE1-CE1 4.34Å; F761-F796 AromaticContact CZ-CD1 3.69Å; F761-F796 HydrophobicContact CZ-CD1 3.69Å; F761-F796 HydrophobicContact CZ-CE1 4.13Å; F761-A797 HydrophobicContact CZ-CB 4.3Å
762	A	95.3	Very high	91.1	Very high	39 Å²	39	59.7 Å²	59.7	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-41.2	174.6	0	0	0	0	0	112.2	T758 E759 W764 M765 D766	T758-A762 VanDerWaalsContact O-CB 3.29Å; T758-A762 WeakPolarHBondContact O-CB 3.37Å; T758-A762 PolarHBondContact O-N 2.97Å; E759-A762 PolarHBondContact O-N 3.49Å; A762-W764 VanDerWaalsContact C-N 3.28Å; A762-W764 PolarHBondContact O-N 3.41Å; A762-M765 WeakPolarHBondContact O-CB 3.42Å; A762-M765 PolarHBondContact O-N 2.91Å; A762-D766 PolarHBondContact O-N 3.45Å
763	E	94.1	Very high	90.9	Very high	66 Å²	66	56.4 Å²	56.4	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-40.9	173.4	-74.8	-178.5	164.3	0	0	111.9	E759 K760 D766 R767	E759-E763 WeakPolarHBondContact O-CG 3.35Å; E759-E763 PolarHBondContact O-N 3.48Å; K760-E763 IonicContact NZ-OE2 3.92Å; K760-E763 PolarHBondContact O-N 3.17Å; E763-D766 PolarHBondContact O-N 2.78Å; E763-R767 WeakPolarHBondContact O-CB 3.33Å; E763-R767 VanDerWaalsContact O-CG 3.24Å; E763-R767 WeakPolarHBondContact O-CG 3.47Å; E763-R767 PolarHBondContact O-N 2.83Å
764	W	93.8	Very high	90.7	Very high	9 Å²	9	59.3 Å²	59.3	3%	0.034	31%	0.307	C	S	.	.	H	α-helix	trans	-66	-43.3	175.7	179	30.2	0	0	0	111.9	K760 F761 A762 D766 R767 N771 Y782 F796 K800 L813	K760-W764 PolarHBondContact O-N 3.29Å; K760-W764 VanDerWaalsContact O-N 3.17Å; F761-W764 AromaticContact CD2-CE3 3.99Å; F761-W764 HydrophobicContact CD2-CE3 3.99Å; F761-W764 HydrophobicContact CD2-CZ3 4.31Å; F761-W764 AromaticContact CE2-CE3 3.76Å; F761-W764 HydrophobicContact CE2-CE3 3.76Å; F761-W764 AromaticContact CE2-CZ3 3.66Å; F761-W764 HydrophobicContact CE2-CZ3 3.66Å; F761-W764 HydrophobicContact CZ-CE3 4.35Å; F761-W764 HydrophobicContact CZ-CZ3 4.21Å; F761-W764 WeakPolarHBondContact O-CB 3.4Å; F761-W764 PolarHBondContact O-N 2.83Å; A762-W764 VanDerWaalsContact C-N 3.28Å; A762-W764 PolarHBondContact O-N 3.41Å; W764-D766 VanDerWaalsContact C-N 3.29Å; W764-D766 PolarHBondContact O-N 3.23Å; W764-R767 PolarHBondContact O-N 3.09Å; W764-N771 VanDerWaalsContact CD1-CA 3.4Å; W764-N771 HydrophobicContact CD2-CB 4.31Å; W764-N771 HydrophobicContact CG-CB 4.17Å; W764-Y782 HydrophobicContact CE3-CD1 4.36Å; W764-Y782 AromaticContact CE3-CE1 3.72Å; W764-Y782 HydrophobicContact CE3-CE1 3.72Å; W764-Y782 HydrophobicContact CH2-CE1 4.13Å; W764-Y782 HydrophobicContact CH2-CE2 4.37Å; W764-Y782 AromaticContact CH2-CZ 3.79Å; W764-Y782 AromaticContact CZ3-CD1 3.97Å; W764-Y782 HydrophobicContact CZ3-CD1 3.97Å; W764-Y782 AromaticContact CZ3-CE1 3.37Å; W764-Y782 HydrophobicContact CZ3-CE1 3.37Å; W764-Y782 HydrophobicContact CZ3-CE2 4.24Å; W764-Y782 AromaticContact CZ3-CZ 3.51Å; W764-F796 AromaticContact CD2-CE1 3.62Å; W764-F796 HydrophobicContact CD2-CE1 3.62Å; W764-F796 AromaticContact CD2-CZ 3.8Å; W764-F796 HydrophobicContact CD2-CZ 3.8Å; W764-F796 AromaticContact CE2-CE1 3.88Å; W764-F796 AromaticContact CE2-CZ 3.78Å; W764-F796 AromaticContact CE3-CE1 3.5Å; W764-F796 HydrophobicContact CE3-CE1 3.5Å; W764-F796 HydrophobicContact CE3-CZ 4.18Å; W764-F796 HydrophobicContact CG-CE1 4.29Å; W764-F796 HydrophobicContact CG-CZ 4.15Å; W764-F796 AromaticContact CH2-CE1 3.95Å; W764-F796 HydrophobicContact CH2-CE1 3.95Å; W764-F796 HydrophobicContact CZ2-CE1 4.06Å; W764-F796 HydrophobicContact CZ2-CZ 4.17Å; W764-F796 HydrophobicContact CZ3-CD1 4.47Å; W764-F796 AromaticContact CZ3-CE1 3.66Å; W764-F796 HydrophobicContact CZ3-CE1 3.66Å; W764-F796 HydrophobicContact CZ3-CZ 4.5Å; W764-K800 HydrophobicContact CH2-CB 4.02Å; W764-K800 HydrophobicContact CH2-CD 4.47Å; W764-K800 HydrophobicContact CH2-CG 3.72Å; W764-K800 HydrophobicContact CZ2-CB 4.23Å; W764-K800 HydrophobicContact CZ2-CD 3.89Å; W764-K800 HydrophobicContact CZ2-CG 3.62Å; W764-L813 HydrophobicContact CH2-CD2 4.14Å; W764-L813 HydrophobicContact CZ3-CD2 4.44Å
765	M	93.9	Very high	90.5	Very high	32 Å²	32	57.9 Å²	57.9	16%	0.158	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-36.1	176.3	-68	174.5	75.2	0	0	112.9	F761 A762 K792 E793 F796	F761-M765 HydrophobicContact CD1-CG 4.03Å; F761-M765 HydrophobicContact CD1-SD 3.61Å; F761-M765 HydrophobicContact CE1-CG 4Å; F761-M765 HydrophobicContact CE1-SD 3.66Å; F761-M765 WeakPolarHBondContact O-CG 3.5Å; F761-M765 PolarHBondContact O-N 3.16Å; A762-M765 WeakPolarHBondContact O-CB 3.42Å; A762-M765 PolarHBondContact O-N 2.91Å; M765-K792 HydrophobicContact CE-CD 3.75Å; M765-K792 VanDerWaalsContact CE-CE 3.47Å; M765-K792 HydrophobicContact CE-CG 3.75Å; M765-E793 HydrophobicContact SD-CG 4.2Å; M765-F796 HydrophobicContact CB-CE2 4.37Å; M765-F796 HydrophobicContact CB-CZ 4.39Å; M765-F796 HydrophobicContact CE-CB 3.93Å; M765-F796 HydrophobicContact CE-CG 4.21Å; M765-F796 HydrophobicContact CG-CB 4.42Å; M765-F796 HydrophobicContact CG-CD1 3.56Å; M765-F796 HydrophobicContact CG-CD2 4.02Å; M765-F796 HydrophobicContact CG-CE1 3.65Å; M765-F796 HydrophobicContact CG-CE2 4.11Å; M765-F796 HydrophobicContact CG-CG 3.74Å; M765-F796 HydrophobicContact CG-CZ 3.93Å; M765-F796 HydrophobicContact SD-CD1 4.44Å
766	D	90.6	Very high	90.2	Very high	128 Å²	128	52.9 Å²	52.9	68%	0.684	28%	0.275	S	S	*	.	H	α-helix	trans	-82.5	-22.4	-175.4	-74.1	-13.4	0	0	0	113.7	A762 E763 W764 N768	A762-D766 PolarHBondContact O-N 3.45Å; E763-D766 PolarHBondContact O-N 2.78Å; W764-D766 VanDerWaalsContact C-N 3.29Å; W764-D766 PolarHBondContact O-N 3.23Å; D766-N768 PolarHBondContact O-N 2.64Å
767	R	81.8	Confident	90.1	Very high	133 Å²	133	52.6 Å²	52.6	50%	0.502	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	26.2	-169.1	-75.5	-175.7	-176	-163	9	116.3	E763 W764 D769 T770	E763-R767 WeakPolarHBondContact O-CB 3.33Å; E763-R767 VanDerWaalsContact O-CG 3.24Å; E763-R767 WeakPolarHBondContact O-CG 3.47Å; E763-R767 PolarHBondContact O-N 2.83Å; W764-R767 PolarHBondContact O-N 3.09Å; R767-D769 VanDerWaalsContact C-N 3.33Å; R767-D769 PolarHBondContact O-N 2.85Å; R767-T770 PolarHBondContact O-N 3.46Å
768	N	65.1	Low	89.9	Confident	146 Å²	146	53.5 Å²	53.5	78%	0.781	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	55.1	172	-149.2	60.4	0	0	0	112.5	D766	D766-N768 PolarHBondContact O-N 2.64Å
769	D	67.9	Low	89.7	Confident	108 Å²	108	52.8 Å²	52.8	58%	0.578	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-0.7	172.9	-50.9	-29.2	0	0	0	118.6	R767 N771 K800	R767-D769 VanDerWaalsContact C-N 3.33Å; R767-D769 PolarHBondContact O-N 2.85Å; D769-N771 PolarHBondContact O-N 3.02Å; D769-K800 IonicContact OD1-NZ 2.97Å; D769-K800 PolarHBondContact OD1-NZ 2.8Å
770	T	82.6	Confident	89.7	Confident	89 Å²	89	48.2 Å²	48.2	55%	0.546	25%	0.253	S	S	.	.			trans	-85.2	107.5	172.7	-51.7	0	0	0	0	111.3	R767 T772	R767-T770 PolarHBondContact O-N 3.46Å; T770-T772 HydrophobicContact CG2-CG2 4.5Å; T770-T772 PolarHBondContact O-N 3.35Å
771	N	89.4	Confident	89.8	Confident	32 Å²	32	46.8 Å²	46.8	17%	0.171	25%	0.247	C	C	.	.			trans	-83.3	109.6	175.3	-167.6	-9.4	0	0	0	111.8	W764 D769 I773 R778 Y782	W764-N771 VanDerWaalsContact CD1-CA 3.4Å; W764-N771 HydrophobicContact CD2-CB 4.31Å; W764-N771 HydrophobicContact CG-CB 4.17Å; D769-N771 PolarHBondContact O-N 3.02Å; N771-I773 VanDerWaalsContact OD1-CB 3.31Å; N771-I773 WeakPolarHBondContact OD1-CB 3.39Å; N771-I773 PolarHBondContact OD1-N 3.02Å; N771-R778 PolarHBondContact ND2-NE 3.4Å; N771-Y782 PolarHBondContact ND2-OH 3.46Å
772	T	89.7	Confident	89.9	Confident	48 Å²	48	46.7 Å²	46.7	29%	0.294	25%	0.247	S	C	.	.			trans	-90.2	-3.1	178.6	52.6	0	0	0	0	113.8	S726 T770 H774	S726-T772 WeakPolarHBondContact CB-O 2.94Å; T770-T772 HydrophobicContact CG2-CG2 4.5Å; T770-T772 PolarHBondContact O-N 3.35Å; T772-H774 PolarHBondContact O-N 3.43Å
773	I	93.8	Very high	90	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	-72.9	124.2	175.5	-60.1	161.7	0	0	0	108.1	K760 N771 T775 L777 R778 I781 Y782	K760-I773 HydrophobicContact CB-CD1 4.33Å; K760-I773 HydrophobicContact CB-CG1 4.1Å; N771-I773 VanDerWaalsContact OD1-CB 3.31Å; N771-I773 WeakPolarHBondContact OD1-CB 3.39Å; N771-I773 PolarHBondContact OD1-N 3.02Å; I773-T775 PolarHBondContact O-N 2.98Å; I773-L777 HydrophobicContact CG2-CB 4.22Å; I773-R778 HydrophobicContact CB-CG 4.14Å; I773-R778 HydrophobicContact CG2-CB 4.47Å; I773-R778 HydrophobicContact CG2-CG 3.79Å; I773-R778 PolarHBondContact O-NE 3.32Å; I773-I781 HydrophobicContact CD1-CG2 3.72Å; I773-I781 HydrophobicContact CG1-CG2 4.39Å; I773-I781 HydrophobicContact CG2-CB 4.33Å; I773-I781 HydrophobicContact CG2-CD1 3.63Å; I773-Y782 HydrophobicContact CD1-CD1 4.25Å; I773-Y782 HydrophobicContact CD1-CE1 3.85Å
774	H	93.9	Very high	90.2	Very high	60 Å²	60	43.8 Å²	43.8	28%	0.278	23%	0.229	S	C	.	.			trans	-54.1	136.7	175.6	-167.4	-79.6	0	0	0	110.5	S726 V728 T772 N776 L777 R778	S726-H774 WeakPolarHBondContact O-CB 3.29Å; V728-H774 HydrophobicContact CG1-CB 4.5Å; V728-H774 WeakPolarHBondContact CG1-ND1 3.34Å; T772-H774 PolarHBondContact O-N 3.43Å; H774-N776 VanDerWaalsContact C-N 3.29Å; H774-N776 PolarHBondContact ND1-N 3.24Å; H774-N776 PolarHBondContact O-N 3.05Å; H774-L777 HydrophobicContact CB-CD1 4.27Å; H774-L777 HydrophobicContact CB-CG 4.24Å; H774-L777 WeakPolarHBondContact O-CA 2.92Å; H774-L777 PolarHBondContact O-N 2.94Å; H774-R778 PolarHBondContact O-N 3.2Å
775	T	92.1	Very high	90.4	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.104	23%	0.228	C	C	.	.	H	α-helix	trans	-54	-42	-171.8	53.3	0	0	0	0	113.1	G366 V367 I773 L777 R778	G366-T775 VanDerWaalsContact O-CG2 3.31Å; G366-T775 WeakPolarHBondContact O-CG2 3.41Å; V367-T775 WeakPolarHBondContact O-CB 3.48Å; V367-T775 WeakPolarHBondContact O-CG2 3.35Å; I773-T775 PolarHBondContact O-N 2.98Å; T775-L777 VanDerWaalsContact C-N 3.28Å; T775-L777 PolarHBondContact O-N 3.26Å; T775-R778 PolarHBondContact O-N 3.15Å
776	N	91.9	Very high	90.6	Very high	7 Å²	7	42 Å²	42	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-28.2	174.2	-67.6	35.2	0	0	0	115.1	S369 W370 V728 Q735 I739 H774	S369-N776 WeakPolarHBondContact CB-OD1 3.45Å; W370-N776 PolarHBondContact N-OD1 3.41Å; V728-N776 HydrophobicContact CG1-CB 4.12Å; Q735-N776 PolarHBondContact OE1-ND2 3.35Å; I739-N776 VanDerWaalsContact CD1-O 3.28Å; I739-N776 WeakPolarHBondContact CD1-O 3.23Å; H774-N776 VanDerWaalsContact C-N 3.29Å; H774-N776 PolarHBondContact ND1-N 3.24Å; H774-N776 PolarHBondContact O-N 3.05Å
777	L	95.1	Very high	91	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-94.7	-9.6	-175.2	-54.5	-177.5	0	0	0	112.7	V728 Q738 I739 I742 I773 H774 T775 V780 I781	V728-L777 HydrophobicContact CG1-CD1 4.45Å; V728-L777 HydrophobicContact CG1-CD2 4.28Å; V728-L777 HydrophobicContact CG1-CG 4.17Å; Q738-L777 HydrophobicContact CG-CD2 4.13Å; I739-L777 HydrophobicContact CG1-CD2 4.26Å; I742-L777 HydrophobicContact CD1-CD2 3.91Å; I773-L777 HydrophobicContact CG2-CB 4.22Å; H774-L777 HydrophobicContact CB-CD1 4.27Å; H774-L777 HydrophobicContact CB-CG 4.24Å; H774-L777 WeakPolarHBondContact O-CA 2.92Å; H774-L777 PolarHBondContact O-N 2.94Å; T775-L777 VanDerWaalsContact C-N 3.28Å; T775-L777 PolarHBondContact O-N 3.26Å; L777-V780 VanDerWaalsContact O-CG1 3.28Å; L777-V780 WeakPolarHBondContact O-CG1 3.33Å; L777-V780 PolarHBondContact O-N 2.95Å; L777-I781 HydrophobicContact CB-CD1 3.72Å; L777-I781 HydrophobicContact CB-CG1 4.43Å; L777-I781 WeakPolarHBondContact O-CB 3.44Å; L777-I781 WeakPolarHBondContact O-CG1 3.45Å; L777-I781 PolarHBondContact O-N 3.23Å
778	R	93.8	Very high	91.7	Very high	20 Å²	20	32.9 Å²	32.9	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-56.1	-175.7	-77.2	178.6	-177.8	180	5.4	112.3	N771 I773 H774 T775 V780 I781 Y782 E809	N771-R778 PolarHBondContact ND2-NE 3.4Å; I773-R778 HydrophobicContact CB-CG 4.14Å; I773-R778 HydrophobicContact CG2-CB 4.47Å; I773-R778 HydrophobicContact CG2-CG 3.79Å; I773-R778 PolarHBondContact O-NE 3.32Å; H774-R778 PolarHBondContact O-N 3.2Å; T775-R778 PolarHBondContact O-N 3.15Å; R778-V780 VanDerWaalsContact C-N 3.32Å; R778-V780 PolarHBondContact O-N 3.08Å; R778-I781 PolarHBondContact O-N 3.26Å; R778-Y782 HydrophobicContact CB-CD1 4.46Å; R778-Y782 HydrophobicContact CB-CD2 4.33Å; R778-Y782 HydrophobicContact CB-CE1 3.92Å; R778-Y782 HydrophobicContact CB-CE2 3.8Å; R778-Y782 WeakPolarHBondContact CD-OH 3.36Å; R778-Y782 HydrophobicContact CG-CE1 3.95Å; R778-Y782 HydrophobicContact CG-CE2 4.33Å; R778-Y782 WeakPolarHBondContact CG-OH 3.43Å; R778-Y782 VanDerWaalsContact O-CB 3.28Å; R778-Y782 WeakPolarHBondContact O-CB 3.41Å; R778-Y782 VanDerWaalsContact O-CD1 3.24Å; R778-Y782 WeakPolarHBondContact O-CD1 3.15Å; R778-Y782 PolarHBondContact O-N 3.2Å; R778-E809 VanDerWaalsContact CD-OE2 3.32Å; R778-E809 WeakPolarHBondContact CD-OE2 3.43Å; R778-E809 IonicContact CZ-OE2 2.8Å; R778-E809 IonicContact NE-OE2 3.6Å; R778-E809 IonicContact NH1-OE2 3.92Å; R778-E809 PolarHBondContact NH1-OE2 2.74Å
779	S	92.2	Very high	93.2	Very high	36 Å²	36	26.8 Å²	26.8	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-48.8	-51.1	-179.5	-175.4	0	0	0	0	112.8	C783	S779-C783 WeakPolarHBondContact O-CB 3.43Å; S779-C783 PolarHBondContact O-N 3.11Å
780	V	96.1	Very high	94.5	Very high	8 Å²	8	25 Å²	25	5%	0.048	15%	0.154	C	C	.	.	H	α-helix	trans	-70.8	-46.9	180	66.3	0	0	0	0	111.5	I739 I742 E743 L777 R778 Y782 C783 Q784	I739-V780 HydrophobicContact CG2-CB 4.13Å; I739-V780 HydrophobicContact CG2-CG1 4.2Å; I742-V780 HydrophobicContact CB-CG1 4.27Å; I742-V780 HydrophobicContact CB-CG2 4.11Å; I742-V780 HydrophobicContact CD1-CG1 4.3Å; I742-V780 HydrophobicContact CG2-CB 4.49Å; I742-V780 HydrophobicContact CG2-CG1 3.99Å; I742-V780 HydrophobicContact CG2-CG2 3.68Å; E743-V780 HydrophobicContact CB-CG2 3.84Å; L777-V780 VanDerWaalsContact O-CG1 3.28Å; L777-V780 WeakPolarHBondContact O-CG1 3.33Å; L777-V780 PolarHBondContact O-N 2.95Å; R778-V780 VanDerWaalsContact C-N 3.32Å; R778-V780 PolarHBondContact O-N 3.08Å; V780-Y782 PolarHBondContact O-N 3.35Å; V780-C783 PolarHBondContact O-N 3.26Å; V780-Q784 HydrophobicContact CG2-CG 4.14Å; V780-Q784 VanDerWaalsContact O-CG 3.22Å; V780-Q784 WeakPolarHBondContact O-CG 3.46Å; V780-Q784 PolarHBondContact O-N 2.9Å
781	I	97.3	Very high	95.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-42.5	-178.6	-72.1	169.9	0	0	0	111.4	M756 K760 I773 L777 R778 Q784 A785	M756-I781 HydrophobicContact SD-CD1 4.22Å; M756-I781 HydrophobicContact SD-CG1 4.45Å; K760-I781 HydrophobicContact CB-CG2 4.19Å; I773-I781 HydrophobicContact CD1-CG2 3.72Å; I773-I781 HydrophobicContact CG1-CG2 4.39Å; I773-I781 HydrophobicContact CG2-CB 4.33Å; I773-I781 HydrophobicContact CG2-CD1 3.63Å; L777-I781 HydrophobicContact CB-CD1 3.72Å; L777-I781 HydrophobicContact CB-CG1 4.43Å; L777-I781 WeakPolarHBondContact O-CB 3.44Å; L777-I781 WeakPolarHBondContact O-CG1 3.45Å; L777-I781 PolarHBondContact O-N 3.23Å; R778-I781 PolarHBondContact O-N 3.26Å; I781-Q784 PolarHBondContact O-N 3.35Å; I781-A785 WeakPolarHBondContact O-CB 3.45Å; I781-A785 PolarHBondContact O-N 3.31Å
782	Y	97.5	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-50.2	177.6	-63.7	-7	0	0	0	111	F761 W764 N771 I773 R778 V780 Q784 A785 V786 E809 L813 A816	F761-Y782 AromaticContact CD2-CD1 3.92Å; F761-Y782 HydrophobicContact CD2-CD1 3.92Å; F761-Y782 AromaticContact CE2-CD1 3.84Å; F761-Y782 HydrophobicContact CE2-CD1 3.84Å; F761-Y782 HydrophobicContact CE2-CE1 4.48Å; F761-Y782 HydrophobicContact CE2-CG 4.28Å; W764-Y782 HydrophobicContact CE3-CD1 4.36Å; W764-Y782 AromaticContact CE3-CE1 3.72Å; W764-Y782 HydrophobicContact CE3-CE1 3.72Å; W764-Y782 HydrophobicContact CH2-CE1 4.13Å; W764-Y782 HydrophobicContact CH2-CE2 4.37Å; W764-Y782 AromaticContact CH2-CZ 3.79Å; W764-Y782 AromaticContact CZ3-CD1 3.97Å; W764-Y782 HydrophobicContact CZ3-CD1 3.97Å; W764-Y782 AromaticContact CZ3-CE1 3.37Å; W764-Y782 HydrophobicContact CZ3-CE1 3.37Å; W764-Y782 HydrophobicContact CZ3-CE2 4.24Å; W764-Y782 AromaticContact CZ3-CZ 3.51Å; N771-Y782 PolarHBondContact ND2-OH 3.46Å; I773-Y782 HydrophobicContact CD1-CD1 4.25Å; I773-Y782 HydrophobicContact CD1-CE1 3.85Å; R778-Y782 HydrophobicContact CB-CD1 4.46Å; R778-Y782 HydrophobicContact CB-CD2 4.33Å; R778-Y782 HydrophobicContact CB-CE1 3.92Å; R778-Y782 HydrophobicContact CB-CE2 3.8Å; R778-Y782 WeakPolarHBondContact CD-OH 3.36Å; R778-Y782 HydrophobicContact CG-CE1 3.95Å; R778-Y782 HydrophobicContact CG-CE2 4.33Å; R778-Y782 WeakPolarHBondContact CG-OH 3.43Å; R778-Y782 VanDerWaalsContact O-CB 3.28Å; R778-Y782 WeakPolarHBondContact O-CB 3.41Å; R778-Y782 VanDerWaalsContact O-CD1 3.24Å; R778-Y782 WeakPolarHBondContact O-CD1 3.15Å; R778-Y782 PolarHBondContact O-N 3.2Å; V780-Y782 PolarHBondContact O-N 3.35Å; Y782-Q784 PolarHBondContact O-N 3.45Å; Y782-A785 PolarHBondContact O-N 2.65Å; Y782-V786 WeakPolarHBondContact O-CB 3.11Å; Y782-V786 VanDerWaalsContact O-CG2 3.28Å; Y782-V786 WeakPolarHBondContact O-CG2 3.04Å; Y782-V786 PolarHBondContact O-N 3.31Å; Y782-E809 VanDerWaalsContact CE2-OE1 3.26Å; Y782-E809 WeakPolarHBondContact CE2-OE1 3.37Å; Y782-E809 PolarHBondContact OH-OE1 3.47Å; Y782-L813 HydrophobicContact CD2-CD2 3.64Å; Y782-L813 HydrophobicContact CD2-CG 4.18Å; Y782-L813 HydrophobicContact CE2-CD2 3.64Å; Y782-L813 HydrophobicContact CE2-CG 3.99Å; Y782-L813 HydrophobicContact CG-CD2 4.46Å; Y782-A816 VanDerWaalsContact CB-CB 3.42Å
783	C	98.1	Very high	96	Very high	20 Å²	20	29.7 Å²	29.7	14%	0.135	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-47.1	179.4	175.3	0	0	0	0	111.1	S779 V780 V786 A787 A816 C819	S779-C783 WeakPolarHBondContact O-CB 3.43Å; S779-C783 PolarHBondContact O-N 3.11Å; V780-C783 PolarHBondContact O-N 3.26Å; C783-V786 PolarHBondContact O-N 3.42Å; C783-A787 WeakPolarHBondContact O-CB 3.49Å; C783-A787 PolarHBondContact O-N 3.3Å; C783-A816 HydrophobicContact CB-CB 4.44Å; C783-C819 HydrophobicContact CB-CB 3.97Å; C783-C819 WeakPolarHBondContact CB-SG 3.38Å; C783-C819 VanDerWaalsContact O-CB 3.3Å; C783-C819 WeakPolarHBondContact O-CB 3.18Å; C783-C819 WeakPolarHBondContact SG-CB 3.19Å; C783-C819 CovalentContact SG-SG 2.04Å; C783-C819 PolarHBondContact SG-SG 2.93Å
784	Q	98	Very high	96.3	Very high	24 Å²	24	29.6 Å²	29.6	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-38.7	-179	-60.4	-52.7	-29.9	0	0	112.3	C746 A757 V780 I781 Y782 A787 A788	C746-Q784 HydrophobicContact CB-CB 4Å; C746-Q784 VanDerWaalsContact CB-CD 3.5Å; C746-Q784 HydrophobicContact CB-CG 3.48Å; C746-Q784 VanDerWaalsContact CB-CG 3.48Å; A757-Q784 HydrophobicContact CB-CB 3.91Å; V780-Q784 HydrophobicContact CG2-CG 4.14Å; V780-Q784 VanDerWaalsContact O-CG 3.22Å; V780-Q784 WeakPolarHBondContact O-CG 3.46Å; V780-Q784 PolarHBondContact O-N 2.9Å; I781-Q784 PolarHBondContact O-N 3.35Å; Y782-Q784 PolarHBondContact O-N 3.45Å; Q784-A787 PolarHBondContact O-N 2.92Å; Q784-A788 WeakPolarHBondContact O-CB 3.44Å; Q784-A788 PolarHBondContact O-N 3.49Å
785	A	97.9	Very high	96.5	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-67.4	-44.4	176	0	0	0	0	0	112.4	F761 I781 Y782 A787 A788 G789	F761-A785 HydrophobicContact CB-CB 3.37Å; F761-A785 HydrophobicContact CD1-CB 4.07Å; F761-A785 HydrophobicContact CD2-CB 3.81Å; F761-A785 HydrophobicContact CG-CB 3.48Å; F761-A785 VanDerWaalsContact CG-CB 3.48Å; I781-A785 WeakPolarHBondContact O-CB 3.45Å; I781-A785 PolarHBondContact O-N 3.31Å; Y782-A785 PolarHBondContact O-N 2.65Å; A785-A787 VanDerWaalsContact C-N 3.3Å; A785-A787 PolarHBondContact O-N 3.43Å; A785-A788 PolarHBondContact O-N 3.34Å; A785-G789 PolarHBondContact O-N 2.94Å
786	V	98.4	Very high	96.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-33.5	175.7	172.1	0	0	0	0	111.5	F761 Y782 C783 A797 A816	F761-V786 HydrophobicContact CZ-CG2 4.4Å; Y782-V786 WeakPolarHBondContact O-CB 3.11Å; Y782-V786 VanDerWaalsContact O-CG2 3.28Å; Y782-V786 WeakPolarHBondContact O-CG2 3.04Å; Y782-V786 PolarHBondContact O-N 3.31Å; C783-V786 PolarHBondContact O-N 3.42Å; V786-A797 HydrophobicContact CG2-CB 4.26Å; V786-A816 WeakPolarHBondContact CG1-O 3.01Å
787	A	97.9	Very high	97	Very high	17 Å²	17	29.4 Å²	29.4	14%	0.14	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-37.1	174	0	0	0	0	0	112.9	C783 Q784 A785 C819	C783-A787 WeakPolarHBondContact O-CB 3.49Å; C783-A787 PolarHBondContact O-N 3.3Å; Q784-A787 PolarHBondContact O-N 2.92Å; A785-A787 VanDerWaalsContact C-N 3.3Å; A785-A787 PolarHBondContact O-N 3.43Å; A787-C819 WeakPolarHBondContact CA-O 3.46Å; A787-C819 HydrophobicContact CB-CB 4.19Å; A787-C819 VanDerWaalsContact CB-O 3.3Å; A787-C819 WeakPolarHBondContact CB-O 3.2Å
788	A	97.3	Very high	97.1	Very high	53 Å²	53	30.3 Å²	30.3	44%	0.438	16%	0.162	S	C	.	.	H	α-helix	trans	-81	-27.7	177.6	0	0	0	0	0	113.3	V754 T758 Q784 A785	V754-A788 HydrophobicContact CG1-CB 4.08Å; T758-A788 HydrophobicContact CG2-CB 3.64Å; Q784-A788 WeakPolarHBondContact O-CB 3.44Å; Q784-A788 PolarHBondContact O-N 3.49Å; A785-A788 PolarHBondContact O-N 3.34Å
789	G	96.1	Very high	97.1	Very high	18 Å²	18	34.1 Å²	34.1	19%	0.186	18%	0.181	C	C	.	.	S	Bend	trans	-82.1	-164	-176.1	0	0	0	0	0	115.6	A785	A785-G789 PolarHBondContact O-N 2.94Å
790	D	96.5	Very high	97.2	Very high	70 Å²	70	33.7 Å²	33.7	37%	0.374	17%	0.174	S	C	.	.			trans	-132.1	-152.8	175.8	-151.1	-44.6	0	0	0	109.6	K792 E793 W794 K822	D790-K792 PolarHBondContact O-N 3.21Å; D790-E793 PolarHBondContact N-OE2 3.01Å; D790-E793 PolarHBondContact O-N 2.95Å; D790-W794 PolarHBondContact O-N 3.34Å; D790-K822 VanDerWaalsContact CG-CE 3.49Å; D790-K822 IonicContact OD1-NZ 3.03Å; D790-K822 VanDerWaalsContact OD2-CE 3.28Å; D790-K822 WeakPolarHBondContact OD2-CE 3.44Å; D790-K822 IonicContact OD2-NZ 3.51Å; D790-K822 PolarHBondContact OD2-NZ 2.92Å
791	K	97.9	Very high	97.1	Very high	98 Å²	98	33.9 Å²	33.9	43%	0.426	17%	0.174	S	C	.	.	H	α-helix	trans	-52.5	-36.8	179.3	-172.2	-176.3	179	-174.3	0	113.3	W794 E795 W824	K791-W794 PolarHBondContact O-N 3.44Å; K791-E795 HydrophobicContact CD-CG 4.49Å; K791-E795 WeakPolarHBondContact CE-OE1 3.45Å; K791-E795 HydrophobicContact CG-CG 3.74Å; K791-E795 IonicContact NZ-OE1 3.89Å; K791-E795 WeakPolarHBondContact O-CB 3.36Å; K791-E795 WeakPolarHBondContact O-CG 3.49Å; K791-E795 PolarHBondContact O-N 3.31Å; K791-W824 HydrophobicContact CB-CH2 4.42Å; K791-W824 HydrophobicContact CB-CZ2 4.11Å; K791-W824 HydrophobicContact CD-CH2 3.75Å; K791-W824 HydrophobicContact CD-CZ2 4.11Å; K791-W824 HydrophobicContact CG-CH2 3.91Å; K791-W824 HydrophobicContact CG-CZ2 4.11Å
792	K	97.7	Very high	96.8	Very high	128 Å²	128	37.8 Å²	37.8	56%	0.557	20%	0.195	S	C	*	.	H	α-helix	trans	-62.2	-49.3	-173.2	-170.2	-156.4	173.9	-159.3	0	111	M765 D790 F796	M765-K792 HydrophobicContact CE-CD 3.75Å; M765-K792 VanDerWaalsContact CE-CE 3.47Å; M765-K792 HydrophobicContact CE-CG 3.75Å; D790-K792 PolarHBondContact O-N 3.21Å; K792-F796 PolarHBondContact O-N 2.86Å
793	E	97.8	Very high	96.3	Very high	42 Å²	42	42.9 Å²	42.9	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-40.3	180	-64.5	67	-143.6	0	0	110.6	F761 M765 D790 F796 A797	F761-E793 HydrophobicContact CD1-CB 4.36Å; F761-E793 HydrophobicContact CD1-CG 4.2Å; F761-E793 HydrophobicContact CE1-CB 3.9Å; F761-E793 HydrophobicContact CE1-CG 4.21Å; M765-E793 HydrophobicContact SD-CG 4.2Å; D790-E793 PolarHBondContact N-OE2 3.01Å; D790-E793 PolarHBondContact O-N 2.95Å; E793-F796 PolarHBondContact O-N 3.05Å; E793-A797 PolarHBondContact O-N 2.91Å
794	W	98.6	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-47.4	178.6	-163.1	97.3	0	0	0	112.7	D790 K791 F796 A797 W798 L817 L825 Y829 Y832	D790-W794 PolarHBondContact O-N 3.34Å; K791-W794 PolarHBondContact O-N 3.44Å; W794-F796 VanDerWaalsContact C-N 3.28Å; W794-F796 PolarHBondContact O-N 3.38Å; W794-A797 PolarHBondContact O-N 2.75Å; W794-W798 HydrophobicContact CE3-CB 3.89Å; W794-W798 HydrophobicContact CE3-CG 4.46Å; W794-W798 HydrophobicContact CH2-CB 4.22Å; W794-W798 HydrophobicContact CH2-CD2 4.04Å; W794-W798 HydrophobicContact CH2-CE3 4Å; W794-W798 HydrophobicContact CH2-CG 4.13Å; W794-W798 HydrophobicContact CZ3-CB 3.51Å; W794-W798 HydrophobicContact CZ3-CD2 4.02Å; W794-W798 HydrophobicContact CZ3-CE3 4.39Å; W794-W798 AromaticContact CZ3-CG 3.62Å; W794-W798 HydrophobicContact CZ3-CG 3.62Å; W794-W798 WeakPolarHBondContact O-CB 3.47Å; W794-W798 PolarHBondContact O-N 3.1Å; W794-L817 HydrophobicContact CD2-CD2 3.57Å; W794-L817 HydrophobicContact CE3-CD2 4.02Å; W794-L817 HydrophobicContact CG-CD2 3.93Å; W794-L817 HydrophobicContact CH2-CD2 4.15Å; W794-L817 HydrophobicContact CZ2-CB 4.23Å; W794-L817 HydrophobicContact CZ2-CD2 3.73Å; W794-L817 HydrophobicContact CZ2-CG 4.46Å; W794-L817 HydrophobicContact CZ3-CD2 4.26Å; W794-L817 PolarHBondContact NE1-O 3.31Å; W794-L817 WeakPolarHBondContact O-CD2 3.41Å; W794-L825 HydrophobicContact CB-CD1 3.86Å; W794-L825 HydrophobicContact CD2-CD1 4.49Å; W794-L825 HydrophobicContact CD2-CD2 4.08Å; W794-L825 HydrophobicContact CE3-CD2 4.26Å; W794-L825 HydrophobicContact CG-CD1 3.84Å; W794-L825 HydrophobicContact CG-CD2 4.26Å; W794-L825 HydrophobicContact CG-CG 4.48Å; W794-Y829 HydrophobicContact CH2-CD2 4.42Å; W794-Y829 HydrophobicContact CZ2-CD1 4.32Å; W794-Y829 HydrophobicContact CZ2-CD2 4.14Å; W794-Y829 AromaticContact CZ2-CG 3.87Å; W794-Y829 HydrophobicContact CZ2-CG 3.87Å; W794-Y832 HydrophobicContact CH2-CD2 4.41Å; W794-Y832 AromaticContact CH2-CE2 3.91Å; W794-Y832 HydrophobicContact CH2-CE2 3.91Å; W794-Y832 HydrophobicContact CZ3-CE2 4.39Å
795	E	98.1	Very high	94.7	Very high	55 Å²	55	46.5 Å²	46.5	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-34.8	179.6	-63.5	-73.9	-162.1	0	0	111.3	K791 W798 E799 R828	K791-E795 HydrophobicContact CD-CG 4.49Å; K791-E795 WeakPolarHBondContact CE-OE1 3.45Å; K791-E795 HydrophobicContact CG-CG 3.74Å; K791-E795 IonicContact NZ-OE1 3.89Å; K791-E795 WeakPolarHBondContact O-CB 3.36Å; K791-E795 WeakPolarHBondContact O-CG 3.49Å; K791-E795 PolarHBondContact O-N 3.31Å; E795-W798 PolarHBondContact O-N 3.16Å; E795-E799 WeakPolarHBondContact O-CB 3.17Å; E795-E799 PolarHBondContact O-N 2.89Å; E795-R828 IonicContact OE1-CZ 3.29Å; E795-R828 IonicContact OE1-NH1 3.37Å; E795-R828 PolarHBondContact OE1-NH1 2.68Å; E795-R828 IonicContact OE1-NH2 3.97Å; E795-R828 PolarHBondContact OE1-NH2 3.06Å; E795-R828 IonicContact OE2-CZ 3.44Å; E795-R828 IonicContact OE2-NH1 3.99Å; E795-R828 IonicContact OE2-NH2 3.12Å; E795-R828 PolarHBondContact OE2-NH2 3.03Å
796	F	97	Very high	93.8	Very high	25 Å²	25	46.9 Å²	46.9	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-48.6	173.7	175	-96	0	0	0	111.7	F761 W764 M765 K792 E793 W794 W798 E799 K800	F761-F796 AromaticContact CE1-CD1 3.79Å; F761-F796 HydrophobicContact CE1-CD1 3.79Å; F761-F796 HydrophobicContact CE1-CE1 4.34Å; F761-F796 AromaticContact CZ-CD1 3.69Å; F761-F796 HydrophobicContact CZ-CD1 3.69Å; F761-F796 HydrophobicContact CZ-CE1 4.13Å; W764-F796 AromaticContact CD2-CE1 3.62Å; W764-F796 HydrophobicContact CD2-CE1 3.62Å; W764-F796 AromaticContact CD2-CZ 3.8Å; W764-F796 HydrophobicContact CD2-CZ 3.8Å; W764-F796 AromaticContact CE2-CE1 3.88Å; W764-F796 AromaticContact CE2-CZ 3.78Å; W764-F796 AromaticContact CE3-CE1 3.5Å; W764-F796 HydrophobicContact CE3-CE1 3.5Å; W764-F796 HydrophobicContact CE3-CZ 4.18Å; W764-F796 HydrophobicContact CG-CE1 4.29Å; W764-F796 HydrophobicContact CG-CZ 4.15Å; W764-F796 AromaticContact CH2-CE1 3.95Å; W764-F796 HydrophobicContact CH2-CE1 3.95Å; W764-F796 HydrophobicContact CZ2-CE1 4.06Å; W764-F796 HydrophobicContact CZ2-CZ 4.17Å; W764-F796 HydrophobicContact CZ3-CD1 4.47Å; W764-F796 AromaticContact CZ3-CE1 3.66Å; W764-F796 HydrophobicContact CZ3-CE1 3.66Å; W764-F796 HydrophobicContact CZ3-CZ 4.5Å; M765-F796 HydrophobicContact CB-CE2 4.37Å; M765-F796 HydrophobicContact CB-CZ 4.39Å; M765-F796 HydrophobicContact CE-CB 3.93Å; M765-F796 HydrophobicContact CE-CG 4.21Å; M765-F796 HydrophobicContact CG-CB 4.42Å; M765-F796 HydrophobicContact CG-CD1 3.56Å; M765-F796 HydrophobicContact CG-CD2 4.02Å; M765-F796 HydrophobicContact CG-CE1 3.65Å; M765-F796 HydrophobicContact CG-CE2 4.11Å; M765-F796 HydrophobicContact CG-CG 3.74Å; M765-F796 HydrophobicContact CG-CZ 3.93Å; M765-F796 HydrophobicContact SD-CD1 4.44Å; K792-F796 PolarHBondContact O-N 2.86Å; E793-F796 PolarHBondContact O-N 3.05Å; W794-F796 VanDerWaalsContact C-N 3.28Å; W794-F796 PolarHBondContact O-N 3.38Å; F796-W798 VanDerWaalsContact C-N 3.25Å; F796-W798 PolarHBondContact O-N 2.96Å; F796-E799 PolarHBondContact O-N 2.61Å; F796-K800 HydrophobicContact CD1-CG 4.39Å; F796-K800 HydrophobicContact CE1-CG 4.03Å; F796-K800 VanDerWaalsContact CE2-CE 3.44Å; F796-K800 HydrophobicContact CE2-CG 4.35Å; F796-K800 HydrophobicContact CZ-CD 4.34Å; F796-K800 VanDerWaalsContact CZ-CE 3.45Å; F796-K800 HydrophobicContact CZ-CG 4.02Å; F796-K800 WeakPolarHBondContact O-CG 3.47Å; F796-K800 PolarHBondContact O-N 2.87Å
797	A	97	Very high	93	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-37.7	175.6	0	0	0	0	0	112	F761 V786 E793 W794 K800 F801 L813 L817	F761-A797 HydrophobicContact CZ-CB 4.3Å; V786-A797 HydrophobicContact CG2-CB 4.26Å; E793-A797 PolarHBondContact O-N 2.91Å; W794-A797 PolarHBondContact O-N 2.75Å; A797-K800 PolarHBondContact O-N 3.05Å; A797-F801 WeakPolarHBondContact O-CB 3.44Å; A797-F801 PolarHBondContact O-N 2.81Å; A797-L813 HydrophobicContact CB-CD2 4.16Å; A797-L817 HydrophobicContact CB-CD2 3.82Å; A797-L817 HydrophobicContact CB-CG 4.3Å
798	W	97.5	Very high	92.2	Very high	20 Å²	20	47.6 Å²	47.6	8%	0.076	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-43.6	176.3	179.7	-108.3	0	0	0	112.3	W794 E795 F796 K800 F801 L802 L817 Y829 Y832 K838 I839	W794-W798 HydrophobicContact CE3-CB 3.89Å; W794-W798 HydrophobicContact CE3-CG 4.46Å; W794-W798 HydrophobicContact CH2-CB 4.22Å; W794-W798 HydrophobicContact CH2-CD2 4.04Å; W794-W798 HydrophobicContact CH2-CE3 4Å; W794-W798 HydrophobicContact CH2-CG 4.13Å; W794-W798 HydrophobicContact CZ3-CB 3.51Å; W794-W798 HydrophobicContact CZ3-CD2 4.02Å; W794-W798 HydrophobicContact CZ3-CE3 4.39Å; W794-W798 AromaticContact CZ3-CG 3.62Å; W794-W798 HydrophobicContact CZ3-CG 3.62Å; W794-W798 WeakPolarHBondContact O-CB 3.47Å; W794-W798 PolarHBondContact O-N 3.1Å; E795-W798 PolarHBondContact O-N 3.16Å; F796-W798 VanDerWaalsContact C-N 3.25Å; F796-W798 PolarHBondContact O-N 2.96Å; W798-K800 VanDerWaalsContact C-N 3.31Å; W798-K800 PolarHBondContact O-N 3.16Å; W798-F801 AromaticContact CE3-CD1 3.84Å; W798-F801 HydrophobicContact CE3-CD1 3.84Å; W798-F801 HydrophobicContact CE3-CE1 4.48Å; W798-F801 AromaticContact CH2-CD1 3.99Å; W798-F801 HydrophobicContact CH2-CD1 3.99Å; W798-F801 AromaticContact CH2-CE1 3.89Å; W798-F801 HydrophobicContact CH2-CE1 3.89Å; W798-F801 AromaticContact CZ3-CD1 3.51Å; W798-F801 HydrophobicContact CZ3-CD1 3.51Å; W798-F801 AromaticContact CZ3-CE1 3.69Å; W798-F801 HydrophobicContact CZ3-CE1 3.69Å; W798-F801 HydrophobicContact CZ3-CG 4.48Å; W798-F801 WeakPolarHBondContact O-CB 3.5Å; W798-F801 PolarHBondContact O-N 3.01Å; W798-L802 HydrophobicContact CH2-CD2 4.36Å; W798-L802 HydrophobicContact CZ2-CD1 4.24Å; W798-L802 HydrophobicContact CZ2-CD2 3.94Å; W798-L802 HydrophobicContact CZ2-CG 4.23Å; W798-L802 WeakPolarHBondContact O-CG 2.84Å; W798-L802 PolarHBondContact O-N 2.84Å; W798-L817 HydrophobicContact CB-CD2 4.06Å; W798-L817 HydrophobicContact CE3-CD1 3.68Å; W798-L817 HydrophobicContact CZ3-CD1 4.29Å; W798-Y829 HydrophobicContact CE3-CE2 4.47Å; W798-Y829 HydrophobicContact CZ3-CD2 4.36Å; W798-Y829 AromaticContact CZ3-CE2 3.86Å; W798-Y829 HydrophobicContact CZ3-CE2 3.86Å; W798-Y832 HydrophobicContact CD2-CD2 4.39Å; W798-Y832 HydrophobicContact CD2-CE2 4.07Å; W798-Y832 AromaticContact CE2-CD2 3.93Å; W798-Y832 AromaticContact CE2-CE2 3.58Å; W798-Y832 HydrophobicContact CE3-CD2 4.35Å; W798-Y832 HydrophobicContact CE3-CE2 4.43Å; W798-Y832 AromaticContact CH2-CD2 3.43Å; W798-Y832 HydrophobicContact CH2-CD2 3.43Å; W798-Y832 VanDerWaalsContact CH2-CD2 3.43Å; W798-Y832 AromaticContact CH2-CE2 3.99Å; W798-Y832 HydrophobicContact CH2-CE2 3.99Å; W798-Y832 HydrophobicContact CH2-CG 4.28Å; W798-Y832 AromaticContact CZ2-CD2 3.43Å; W798-Y832 HydrophobicContact CZ2-CD2 3.43Å; W798-Y832 VanDerWaalsContact CZ2-CD2 3.43Å; W798-Y832 AromaticContact CZ2-CE2 3.54Å; W798-Y832 HydrophobicContact CZ2-CE2 3.54Å; W798-Y832 HydrophobicContact CZ2-CG 4.33Å; W798-Y832 AromaticContact CZ3-CD2 3.91Å; W798-Y832 HydrophobicContact CZ3-CD2 3.91Å; W798-Y832 HydrophobicContact CZ3-CE2 4.4Å; W798-K838 HydrophobicContact CH2-CB 4.17Å; W798-K838 HydrophobicContact CZ2-CB 4.29Å; W798-K838 HydrophobicContact CZ2-CD 4.29Å; W798-K838 HydrophobicContact CZ2-CG 4.35Å; W798-I839 HydrophobicContact CH2-CD1 4.2Å; W798-I839 HydrophobicContact CZ3-CD1 4.16Å
799	E	95.5	Very high	91.8	Very high	100 Å²	100	45.7 Å²	45.7	47%	0.467	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-42.2	174.1	-176.9	-176.4	164.4	0	0	111.4	E795 F796 L802 N803	E795-E799 WeakPolarHBondContact O-CB 3.17Å; E795-E799 PolarHBondContact O-N 2.89Å; F796-E799 PolarHBondContact O-N 2.61Å; E799-L802 PolarHBondContact O-N 2.89Å; E799-N803 WeakPolarHBondContact O-CB 3.25Å; E799-N803 VanDerWaalsContact O-CG 3.31Å; E799-N803 PolarHBondContact O-N 3.3Å; E799-N803 PolarHBondContact O-ND2 3.08Å
800	K	93.6	Very high	91.6	Very high	27 Å²	27	47.9 Å²	47.9	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-37.9	175.9	-64.5	-59.3	177.9	-158.6	0	112.7	W764 D769 F796 A797 W798 N803 S804 L813	W764-K800 HydrophobicContact CH2-CB 4.02Å; W764-K800 HydrophobicContact CH2-CD 4.47Å; W764-K800 HydrophobicContact CH2-CG 3.72Å; W764-K800 HydrophobicContact CZ2-CB 4.23Å; W764-K800 HydrophobicContact CZ2-CD 3.89Å; W764-K800 HydrophobicContact CZ2-CG 3.62Å; D769-K800 IonicContact OD1-NZ 2.97Å; D769-K800 PolarHBondContact OD1-NZ 2.8Å; F796-K800 HydrophobicContact CD1-CG 4.39Å; F796-K800 HydrophobicContact CE1-CG 4.03Å; F796-K800 VanDerWaalsContact CE2-CE 3.44Å; F796-K800 HydrophobicContact CE2-CG 4.35Å; F796-K800 HydrophobicContact CZ-CD 4.34Å; F796-K800 VanDerWaalsContact CZ-CE 3.45Å; F796-K800 HydrophobicContact CZ-CG 4.02Å; F796-K800 WeakPolarHBondContact O-CG 3.47Å; F796-K800 PolarHBondContact O-N 2.87Å; A797-K800 PolarHBondContact O-N 3.05Å; W798-K800 VanDerWaalsContact C-N 3.31Å; W798-K800 PolarHBondContact O-N 3.16Å; K800-N803 PolarHBondContact O-N 2.64Å; K800-S804 WeakPolarHBondContact O-CB 3.48Å; K800-S804 PolarHBondContact O-N 3.22Å; K800-L813 HydrophobicContact CB-CD1 3.75Å; K800-L813 HydrophobicContact CB-CD2 4.39Å
801	F	93.7	Very high	91.2	Very high	11 Å²	11	47.2 Å²	47.2	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-44.9	175.1	166.8	-100.3	0	0	0	111.4	A797 W798 K810 L813 R814 L817 K838 I839	A797-F801 WeakPolarHBondContact O-CB 3.44Å; A797-F801 PolarHBondContact O-N 2.81Å; W798-F801 AromaticContact CE3-CD1 3.84Å; W798-F801 HydrophobicContact CE3-CD1 3.84Å; W798-F801 HydrophobicContact CE3-CE1 4.48Å; W798-F801 AromaticContact CH2-CD1 3.99Å; W798-F801 HydrophobicContact CH2-CD1 3.99Å; W798-F801 AromaticContact CH2-CE1 3.89Å; W798-F801 HydrophobicContact CH2-CE1 3.89Å; W798-F801 AromaticContact CZ3-CD1 3.51Å; W798-F801 HydrophobicContact CZ3-CD1 3.51Å; W798-F801 AromaticContact CZ3-CE1 3.69Å; W798-F801 HydrophobicContact CZ3-CE1 3.69Å; W798-F801 HydrophobicContact CZ3-CG 4.48Å; W798-F801 WeakPolarHBondContact O-CB 3.5Å; W798-F801 PolarHBondContact O-N 3.01Å; F801-K810 HydrophobicContact CD2-CB 4Å; F801-K810 HydrophobicContact CD2-CG 4.03Å; F801-K810 WeakPolarHBondContact CD2-O 3.22Å; F801-K810 HydrophobicContact CE2-CB 3.95Å; F801-K810 HydrophobicContact CE2-CD 4.3Å; F801-K810 HydrophobicContact CE2-CG 4.12Å; F801-K810 WeakPolarHBondContact O-CE 3.26Å; F801-L813 HydrophobicContact CB-CB 4.03Å; F801-L813 HydrophobicContact CB-CD1 4.29Å; F801-R814 HydrophobicContact CD2-CB 4.38Å; F801-R814 HydrophobicContact CE2-CB 4.18Å; F801-R814 HydrophobicContact CE2-CG 4.37Å; F801-L817 HydrophobicContact CB-CD1 4.42Å; F801-K838 WeakPolarHBondContact CE1-O 3.44Å; F801-I839 HydrophobicContact CE1-CD1 3.84Å; F801-I839 HydrophobicContact CZ-CD1 3.76Å
802	L	90.4	Very high	90.9	Very high	83 Å²	83	43.5 Å²	43.5	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-37.7	179.1	-68.8	178.3	0	0	0	112.8	W798 E799	W798-L802 HydrophobicContact CH2-CD2 4.36Å; W798-L802 HydrophobicContact CZ2-CD1 4.24Å; W798-L802 HydrophobicContact CZ2-CD2 3.94Å; W798-L802 HydrophobicContact CZ2-CG 4.23Å; W798-L802 WeakPolarHBondContact O-CG 2.84Å; W798-L802 PolarHBondContact O-N 2.84Å; E799-L802 PolarHBondContact O-N 2.89Å
803	N	87.3	Confident	90.8	Very high	106 Å²	106	37.4 Å²	37.4	57%	0.567	19%	0.192	S	C	*	.	H	α-helix	trans	-88.6	-13.6	-175	-67.4	-16.4	0	0	0	114.1	E799 K800	E799-N803 WeakPolarHBondContact O-CB 3.25Å; E799-N803 VanDerWaalsContact O-CG 3.31Å; E799-N803 PolarHBondContact O-N 3.3Å; E799-N803 PolarHBondContact O-ND2 3.08Å; K800-N803 PolarHBondContact O-N 2.64Å
804	S	84.7	Confident	90.8	Very high	23 Å²	23	36 Å²	36	16%	0.161	18%	0.184	C	C	.	.			trans	-67.9	141.6	178	-174.6	0	0	0	0	110.9	K800 D806 K810	K800-S804 WeakPolarHBondContact O-CB 3.48Å; K800-S804 PolarHBondContact O-N 3.22Å; S804-D806 PolarHBondContact OG-N 3.43Å; S804-D806 VanDerWaalsContact OG-N 3.14Å; S804-D806 PolarHBondContact OG-O 3.23Å; S804-K810 WeakPolarHBondContact O-CE 3.2Å; S804-K810 PolarHBondContact O-NZ 3.43Å
805	T	77.6	Confident	90.6	Very high	97 Å²	97	39.6 Å²	39.6	60%	0.595	20%	0.2	S	C	*	.			trans	-100.8	-13.5	167.1	51.6	0	0	0	0	112.3
806	D	80.4	Confident	90.6	Very high	11 Å²	11	37 Å²	37	6%	0.059	19%	0.188	C	C	.	.			trans	-86.6	124.6	178.1	178.4	-109.5	0	0	0	110.9	V367 S804 S808 E809 K810	V367-D806 HydrophobicContact CG1-CB 3.89Å; S804-D806 PolarHBondContact OG-N 3.43Å; S804-D806 VanDerWaalsContact OG-N 3.14Å; S804-D806 PolarHBondContact OG-O 3.23Å; D806-S808 WeakPolarHBondContact OD1-CB 3.32Å; D806-S808 PolarHBondContact OD1-N 3.45Å; D806-E809 HydrophobicContact CB-CB 4.12Å; D806-E809 WeakPolarHBondContact OD1-CB 3.25Å; D806-E809 PolarHBondContact OD1-N 2.98Å; D806-K810 WeakPolarHBondContact O-CG 3.17Å; D806-K810 PolarHBondContact O-N 2.97Å
807	T	80.3	Confident	90.7	Very high	20 Å²	20	35.8 Å²	35.8	12%	0.123	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-35.6	-177.4	-54	0	0	0	0	111.6	K810 D811	T807-K810 WeakPolarHBondContact O-CB 3.49Å; T807-K810 PolarHBondContact O-N 3Å; T807-D811 PolarHBondContact O-N 2.88Å
808	S	82.4	Confident	90.8	Very high	12 Å²	12	36.1 Å²	36.1	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-48	178	-161.7	0	0	0	0	111.6	H372 D806 K810 D811 Q812	H372-S808 VanDerWaalsContact CE1-CB 3.45Å; H372-S808 WeakPolarHBondContact CE1-CB 3.44Å; H372-S808 PolarHBondContact CE1-OG 3.15Å; H372-S808 VanDerWaalsContact ND1-CB 3.28Å; H372-S808 WeakPolarHBondContact ND1-CB 3.27Å; H372-S808 PolarHBondContact ND1-OG 3.27Å; D806-S808 WeakPolarHBondContact OD1-CB 3.32Å; D806-S808 PolarHBondContact OD1-N 3.45Å; S808-K810 VanDerWaalsContact C-N 3.31Å; S808-K810 PolarHBondContact O-N 3.49Å; S808-D811 PolarHBondContact O-N 3.29Å; S808-Q812 VanDerWaalsContact O-CG 3.26Å; S808-Q812 WeakPolarHBondContact O-CG 3.35Å; S808-Q812 PolarHBondContact O-N 3.1Å; S808-Q812 PolarHBondContact OG-NE2 3.17Å
809	E	88.3	Confident	90.8	Very high	13 Å²	13	36 Å²	36	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-40.3	176.1	-174.2	70.9	-163.4	0	0	110.7	V367 R778 Y782 D806 Q812 L813	V367-E809 HydrophobicContact CG1-CB 4.46Å; R778-E809 VanDerWaalsContact CD-OE2 3.32Å; R778-E809 WeakPolarHBondContact CD-OE2 3.43Å; R778-E809 IonicContact CZ-OE2 2.8Å; R778-E809 IonicContact NE-OE2 3.6Å; R778-E809 IonicContact NH1-OE2 3.92Å; R778-E809 PolarHBondContact NH1-OE2 2.74Å; Y782-E809 VanDerWaalsContact CE2-OE1 3.26Å; Y782-E809 WeakPolarHBondContact CE2-OE1 3.37Å; Y782-E809 PolarHBondContact OH-OE1 3.47Å; D806-E809 HydrophobicContact CB-CB 4.12Å; D806-E809 WeakPolarHBondContact OD1-CB 3.25Å; D806-E809 PolarHBondContact OD1-N 2.98Å; E809-Q812 PolarHBondContact O-N 2.88Å; E809-L813 HydrophobicContact CG-CD1 3.92Å; E809-L813 WeakPolarHBondContact O-CB 3.22Å; E809-L813 VanDerWaalsContact O-CG 3.28Å; E809-L813 WeakPolarHBondContact O-CG 3.47Å; E809-L813 PolarHBondContact O-N 2.8Å
810	K	90.6	Very high	90.9	Very high	65 Å²	65	31.2 Å²	31.2	28%	0.283	17%	0.165	S	C	.	.	H	α-helix	trans	-58.6	-49	173.9	-80.9	-170.8	-178.6	176.9	0	111.8	F801 S804 D806 T807 S808 Q812 L813 R814	F801-K810 HydrophobicContact CD2-CB 4Å; F801-K810 HydrophobicContact CD2-CG 4.03Å; F801-K810 WeakPolarHBondContact CD2-O 3.22Å; F801-K810 HydrophobicContact CE2-CB 3.95Å; F801-K810 HydrophobicContact CE2-CD 4.3Å; F801-K810 HydrophobicContact CE2-CG 4.12Å; F801-K810 WeakPolarHBondContact O-CE 3.26Å; S804-K810 WeakPolarHBondContact O-CE 3.2Å; S804-K810 PolarHBondContact O-NZ 3.43Å; D806-K810 WeakPolarHBondContact O-CG 3.17Å; D806-K810 PolarHBondContact O-N 2.97Å; T807-K810 WeakPolarHBondContact O-CB 3.49Å; T807-K810 PolarHBondContact O-N 3Å; S808-K810 VanDerWaalsContact C-N 3.31Å; S808-K810 PolarHBondContact O-N 3.49Å; K810-Q812 VanDerWaalsContact C-N 3.35Å; K810-Q812 PolarHBondContact O-N 3.38Å; K810-L813 PolarHBondContact O-N 3.09Å; K810-R814 WeakPolarHBondContact O-CB 3.24Å; K810-R814 PolarHBondContact O-N 3.1Å
811	D	88.8	Confident	91	Very high	55 Å²	55	37 Å²	37	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-63.8	-40.7	-179.8	-78.9	-35.9	0	0	0	112.3	T807 S808 L813 R814 K815	T807-D811 PolarHBondContact O-N 2.88Å; S808-D811 PolarHBondContact O-N 3.29Å; D811-L813 PolarHBondContact O-N 3.14Å; D811-R814 PolarHBondContact O-N 3.35Å; D811-R814 IonicContact OD1-CZ 3.19Å; D811-R814 IonicContact OD1-NE 2.88Å; D811-R814 PolarHBondContact OD1-NE 3.4Å; D811-R814 IonicContact OD1-NH2 3.16Å; D811-R814 PolarHBondContact OD1-NH2 2.79Å; D811-K815 PolarHBondContact O-N 2.9Å
812	Q	92.2	Very high	91.2	Very high	20 Å²	20	39.9 Å²	39.9	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-43.6	175.3	-67.8	175.9	36.3	0	0	112	S808 E809 K810 A816	S808-Q812 VanDerWaalsContact O-CG 3.26Å; S808-Q812 WeakPolarHBondContact O-CG 3.35Å; S808-Q812 PolarHBondContact O-N 3.1Å; S808-Q812 PolarHBondContact OG-NE2 3.17Å; E809-Q812 PolarHBondContact O-N 2.88Å; K810-Q812 VanDerWaalsContact C-N 3.35Å; K810-Q812 PolarHBondContact O-N 3.38Å; Q812-A816 WeakPolarHBondContact O-CB 3.38Å; Q812-A816 PolarHBondContact O-N 2.95Å
813	L	95.9	Very high	91.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-40.4	176.6	-71.5	165.7	0	0	0	111.8	W764 Y782 A797 K800 F801 E809 K810 D811 K815 A816 L817	W764-L813 HydrophobicContact CH2-CD2 4.14Å; W764-L813 HydrophobicContact CZ3-CD2 4.44Å; Y782-L813 HydrophobicContact CD2-CD2 3.64Å; Y782-L813 HydrophobicContact CD2-CG 4.18Å; Y782-L813 HydrophobicContact CE2-CD2 3.64Å; Y782-L813 HydrophobicContact CE2-CG 3.99Å; Y782-L813 HydrophobicContact CG-CD2 4.46Å; A797-L813 HydrophobicContact CB-CD2 4.16Å; K800-L813 HydrophobicContact CB-CD1 3.75Å; K800-L813 HydrophobicContact CB-CD2 4.39Å; F801-L813 HydrophobicContact CB-CB 4.03Å; F801-L813 HydrophobicContact CB-CD1 4.29Å; E809-L813 HydrophobicContact CG-CD1 3.92Å; E809-L813 WeakPolarHBondContact O-CB 3.22Å; E809-L813 VanDerWaalsContact O-CG 3.28Å; E809-L813 WeakPolarHBondContact O-CG 3.47Å; E809-L813 PolarHBondContact O-N 2.8Å; K810-L813 PolarHBondContact O-N 3.09Å; D811-L813 PolarHBondContact O-N 3.14Å; L813-K815 VanDerWaalsContact C-N 3.33Å; L813-K815 PolarHBondContact O-N 3.15Å; L813-A816 PolarHBondContact O-N 3.19Å; L813-A816 VanDerWaalsContact O-N 3.15Å; L813-L817 WeakPolarHBondContact O-CD1 3.3Å; L813-L817 WeakPolarHBondContact O-CG 3.01Å; L813-L817 PolarHBondContact O-N 3.5Å
814	R	96.1	Very high	92.1	Very high	12 Å²	12	40 Å²	40	5%	0.045	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-44.3	176.7	-162.7	170.5	60.2	98	-10.5	111.1	F801 K810 D811 Y829 D843 S846 T847	F801-R814 HydrophobicContact CD2-CB 4.38Å; F801-R814 HydrophobicContact CE2-CB 4.18Å; F801-R814 HydrophobicContact CE2-CG 4.37Å; K810-R814 WeakPolarHBondContact O-CB 3.24Å; K810-R814 PolarHBondContact O-N 3.1Å; D811-R814 PolarHBondContact O-N 3.35Å; D811-R814 IonicContact OD1-CZ 3.19Å; D811-R814 IonicContact OD1-NE 2.88Å; D811-R814 PolarHBondContact OD1-NE 3.4Å; D811-R814 IonicContact OD1-NH2 3.16Å; D811-R814 PolarHBondContact OD1-NH2 2.79Å; R814-Y829 WeakPolarHBondContact CA-OH 3.4Å; R814-Y829 WeakPolarHBondContact CG-OH 3.48Å; R814-Y829 PolarHBondContact O-OH 2.9Å; R814-Y829 VanDerWaalsContact O-OH 3.06Å; R814-D843 IonicContact CZ-OD1 3.59Å; R814-D843 IonicContact NE-OD1 3.57Å; R814-D843 PolarHBondContact NH1-O 3.1Å; R814-D843 IonicContact NH2-OD1 2.76Å; R814-D843 PolarHBondContact NH2-OD1 2.87Å; R814-S846 PolarHBondContact NH1-OG 3.26Å; R814-S846 PolarHBondContact NH2-OG 3.35Å; R814-S846 VanDerWaalsContact NH2-OG 3.1Å; R814-T847 VanDerWaalsContact CD-OG1 3.31Å; R814-T847 WeakPolarHBondContact CD-OG1 3.49Å; R814-T847 VanDerWaalsContact CG-OG1 3.32Å; R814-T847 WeakPolarHBondContact CG-OG1 3.24Å; R814-T847 VanDerWaalsContact NH1-N 3.18Å; R814-T847 PolarHBondContact NH1-OG1 3.49Å
815	K	96.3	Very high	92.8	Very high	76 Å²	76	38.9 Å²	38.9	33%	0.33	19%	0.19	S	C	.	.	H	α-helix	trans	-64.2	-48.3	170.8	-176.5	175.8	177.3	-179.6	0	111.6	D811 L813 L817 S818	D811-K815 PolarHBondContact O-N 2.9Å; L813-K815 VanDerWaalsContact C-N 3.33Å; L813-K815 PolarHBondContact O-N 3.15Å; K815-L817 VanDerWaalsContact C-N 3.3Å; K815-L817 PolarHBondContact O-N 3.44Å; K815-S818 PolarHBondContact O-N 2.88Å; K815-S818 PolarHBondContact O-OG 3.1Å
816	A	97.8	Very high	93.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-37.3	-177.5	0	0	0	0	0	113.9	Y782 C783 V786 Q812 L813 S818 C819	Y782-A816 VanDerWaalsContact CB-CB 3.42Å; C783-A816 HydrophobicContact CB-CB 4.44Å; V786-A816 WeakPolarHBondContact CG1-O 3.01Å; Q812-A816 WeakPolarHBondContact O-CB 3.38Å; Q812-A816 PolarHBondContact O-N 2.95Å; L813-A816 PolarHBondContact O-N 3.19Å; L813-A816 VanDerWaalsContact O-N 3.15Å; A816-S818 PolarHBondContact O-N 3.05Å; A816-C819 VanDerWaalsContact O-CB 3.3Å; A816-C819 WeakPolarHBondContact O-CB 3.13Å; A816-C819 PolarHBondContact O-N 3.31Å
817	L	98.5	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-27.1	177.1	-72.4	160.7	0	0	0	112.9	W794 A797 W798 F801 L813 K815 C819 Y829	W794-L817 HydrophobicContact CD2-CD2 3.57Å; W794-L817 HydrophobicContact CE3-CD2 4.02Å; W794-L817 HydrophobicContact CG-CD2 3.93Å; W794-L817 HydrophobicContact CH2-CD2 4.15Å; W794-L817 HydrophobicContact CZ2-CB 4.23Å; W794-L817 HydrophobicContact CZ2-CD2 3.73Å; W794-L817 HydrophobicContact CZ2-CG 4.46Å; W794-L817 HydrophobicContact CZ3-CD2 4.26Å; W794-L817 PolarHBondContact NE1-O 3.31Å; W794-L817 WeakPolarHBondContact O-CD2 3.41Å; A797-L817 HydrophobicContact CB-CD2 3.82Å; A797-L817 HydrophobicContact CB-CG 4.3Å; W798-L817 HydrophobicContact CB-CD2 4.06Å; W798-L817 HydrophobicContact CE3-CD1 3.68Å; W798-L817 HydrophobicContact CZ3-CD1 4.29Å; F801-L817 HydrophobicContact CB-CD1 4.42Å; L813-L817 WeakPolarHBondContact O-CD1 3.3Å; L813-L817 WeakPolarHBondContact O-CG 3.01Å; L813-L817 PolarHBondContact O-N 3.5Å; K815-L817 VanDerWaalsContact C-N 3.3Å; K815-L817 PolarHBondContact O-N 3.44Å; L817-C819 VanDerWaalsContact C-N 3.3Å; L817-Y829 HydrophobicContact CB-CD1 4.2Å; L817-Y829 HydrophobicContact CB-CE1 3.67Å; L817-Y829 HydrophobicContact CD1-CE2 4.49Å
818	S	98.1	Very high	95.5	Very high	6 Å²	6	39 Å²	39	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-77.2	-15.3	176.4	86.2	0	0	0	0	113.1	K815 A816 T820 L826 H850 N854	K815-S818 PolarHBondContact O-N 2.88Å; K815-S818 PolarHBondContact O-OG 3.1Å; A816-S818 PolarHBondContact O-N 3.05Å; S818-T820 VanDerWaalsContact C-N 3.27Å; S818-T820 PolarHBondContact O-N 3.4Å; S818-L826 WeakPolarHBondContact O-CD2 3.4Å; S818-H850 WeakPolarHBondContact CB-O 3.32Å; S818-H850 PolarHBondContact OG-O 3.15Å; S818-N854 PolarHBondContact O-ND2 2.89Å
819	C	98.3	Very high	96.3	Very high	18 Å²	18	38.4 Å²	38.4	12%	0.122	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.4	-176.5	-58.6	0	0	0	0	113.7	C783 A787 A816 L817	C783-C819 HydrophobicContact CB-CB 3.97Å; C783-C819 WeakPolarHBondContact CB-SG 3.38Å; C783-C819 VanDerWaalsContact O-CB 3.3Å; C783-C819 WeakPolarHBondContact O-CB 3.18Å; C783-C819 WeakPolarHBondContact SG-CB 3.19Å; C783-C819 CovalentContact SG-SG 2.04Å; C783-C819 PolarHBondContact SG-SG 2.93Å; A787-C819 WeakPolarHBondContact CA-O 3.46Å; A787-C819 HydrophobicContact CB-CB 4.19Å; A787-C819 VanDerWaalsContact CB-O 3.3Å; A787-C819 WeakPolarHBondContact CB-O 3.2Å; A816-C819 VanDerWaalsContact O-CB 3.3Å; A816-C819 WeakPolarHBondContact O-CB 3.13Å; A816-C819 PolarHBondContact O-N 3.31Å; L817-C819 VanDerWaalsContact C-N 3.3Å
820	T	98.3	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.			trans	-61.2	140.5	178.3	-172.3	0	0	0	0	112.1	S818 K822 L825 L826 N854	S818-T820 VanDerWaalsContact C-N 3.27Å; S818-T820 PolarHBondContact O-N 3.4Å; T820-K822 VanDerWaalsContact C-N 3.31Å; T820-K822 PolarHBondContact OG1-N 3.08Å; T820-L825 HydrophobicContact CG2-CB 3.88Å; T820-L825 HydrophobicContact CG2-CD1 4.44Å; T820-L826 HydrophobicContact CG2-CD2 3.55Å; T820-L826 HydrophobicContact CG2-CG 3.86Å; T820-N854 PolarHBondContact O-ND2 3.21Å
821	K	95.8	Very high	97.1	Very high	147 Å²	147	37.5 Å²	37.5	64%	0.639	18%	0.181	S	C	*	.			trans	-87.6	-0.8	176.1	-61.1	178.3	-177.2	176	0	112.8	T823	K821-T823 PolarHBondContact O-N 3.43Å
822	K	98.3	Very high	97.5	Very high	72 Å²	72	36.3 Å²	36.3	31%	0.313	17%	0.173	S	C	.	.			trans	-86.7	105.1	-179.1	-50.2	-65.6	172.7	157.9	0	109.8	D790 T820 W824 L825 L826	D790-K822 VanDerWaalsContact CG-CE 3.49Å; D790-K822 IonicContact OD1-NZ 3.03Å; D790-K822 VanDerWaalsContact OD2-CE 3.28Å; D790-K822 WeakPolarHBondContact OD2-CE 3.44Å; D790-K822 IonicContact OD2-NZ 3.51Å; D790-K822 PolarHBondContact OD2-NZ 2.92Å; T820-K822 VanDerWaalsContact C-N 3.31Å; T820-K822 PolarHBondContact OG1-N 3.08Å; K822-W824 PolarHBondContact O-N 3Å; K822-W824 VanDerWaalsContact O-N 3.13Å; K822-L825 HydrophobicContact CB-CB 4.27Å; K822-L825 HydrophobicContact CB-CD1 3.93Å; K822-L825 HydrophobicContact CB-CG 4.17Å; K822-L825 HydrophobicContact CG-CD1 4.14Å; K822-L825 WeakPolarHBondContact O-CB 3.5Å; K822-L825 PolarHBondContact O-N 3.47Å; K822-L826 PolarHBondContact O-N 2.92Å
823	T	97.9	Very high	97.7	Very high	74 Å²	74	35.4 Å²	35.4	45%	0.454	17%	0.168	S	C	.	.	H	α-helix	trans	-57.2	-31.8	-177	53.9	0	0	0	0	114.3	K821 L826 N827 A856 L860	K821-T823 PolarHBondContact O-N 3.43Å; T823-L826 PolarHBondContact O-N 3.39Å; T823-N827 PolarHBondContact O-N 3.25Å; T823-A856 HydrophobicContact CG2-CB 4.4Å; T823-L860 HydrophobicContact CG2-CD1 4.44Å
824	W	98.3	Very high	97.6	Very high	118 Å²	118	38.2 Å²	38.2	45%	0.447	18%	0.183	S	C	.	.	H	α-helix	trans	-69.7	-30.9	177	77	-91.5	0	0	0	112.9	K791 K822 R828	K791-W824 HydrophobicContact CB-CH2 4.42Å; K791-W824 HydrophobicContact CB-CZ2 4.11Å; K791-W824 HydrophobicContact CD-CH2 3.75Å; K791-W824 HydrophobicContact CD-CZ2 4.11Å; K791-W824 HydrophobicContact CG-CH2 3.91Å; K791-W824 HydrophobicContact CG-CZ2 4.11Å; K822-W824 PolarHBondContact O-N 3Å; K822-W824 VanDerWaalsContact O-N 3.13Å; W824-R828 WeakPolarHBondContact O-CB 3.46Å; W824-R828 PolarHBondContact O-N 2.59Å; W824-R828 VanDerWaalsContact O-N 3.13Å
825	L	98.6	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.3	-42.4	173.2	-73.8	173.5	0	0	0	110.8	W794 T820 K822 R828 Y829	W794-L825 HydrophobicContact CB-CD1 3.86Å; W794-L825 HydrophobicContact CD2-CD1 4.49Å; W794-L825 HydrophobicContact CD2-CD2 4.08Å; W794-L825 HydrophobicContact CE3-CD2 4.26Å; W794-L825 HydrophobicContact CG-CD1 3.84Å; W794-L825 HydrophobicContact CG-CD2 4.26Å; W794-L825 HydrophobicContact CG-CG 4.48Å; T820-L825 HydrophobicContact CG2-CB 3.88Å; T820-L825 HydrophobicContact CG2-CD1 4.44Å; K822-L825 HydrophobicContact CB-CB 4.27Å; K822-L825 HydrophobicContact CB-CD1 3.93Å; K822-L825 HydrophobicContact CB-CG 4.17Å; K822-L825 HydrophobicContact CG-CD1 4.14Å; K822-L825 WeakPolarHBondContact O-CB 3.5Å; K822-L825 PolarHBondContact O-N 3.47Å; L825-R828 WeakPolarHBondContact O-CB 3.41Å; L825-R828 PolarHBondContact O-N 3.11Å; L825-Y829 WeakPolarHBondContact O-CB 3.38Å; L825-Y829 PolarHBondContact O-N 3.01Å
826	L	98.6	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-43.8	175.6	-63.4	177.2	0	0	0	112.2	S818 T820 K822 T823 R828 Y829 L830 I851 A856 L860	S818-L826 WeakPolarHBondContact O-CD2 3.4Å; T820-L826 HydrophobicContact CG2-CD2 3.55Å; T820-L826 HydrophobicContact CG2-CG 3.86Å; K822-L826 PolarHBondContact O-N 2.92Å; T823-L826 PolarHBondContact O-N 3.39Å; L826-R828 PolarHBondContact O-N 3Å; L826-Y829 WeakPolarHBondContact O-CB 3.37Å; L826-Y829 PolarHBondContact O-N 3Å; L826-Y829 VanDerWaalsContact O-N 3.14Å; L826-L830 PolarHBondContact O-N 3.15Å; L826-I851 HydrophobicContact CB-CG2 4.33Å; L826-I851 HydrophobicContact CD2-CG2 4.37Å; L826-A856 HydrophobicContact CD1-CB 4.16Å; L826-L860 HydrophobicContact CB-CD1 3.9Å
827	N	98.3	Very high	96.2	Very high	78 Å²	78	46 Å²	46	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-41	174.4	-89.5	-34.5	0	0	0	112.6	T823 Y829 L830 S831	T823-N827 PolarHBondContact O-N 3.25Å; N827-Y829 VanDerWaalsContact C-N 3.26Å; N827-Y829 PolarHBondContact O-N 3.15Å; N827-L830 PolarHBondContact O-N 3.29Å; N827-S831 PolarHBondContact O-N 3.38Å; N827-S831 VanDerWaalsContact O-N 3.09Å
828	R	98.5	Very high	95.8	Very high	52 Å²	52	49.5 Å²	49.5	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-40.9	173.2	-175.5	177.3	72.1	165.3	2.6	110.4	E795 W824 L825 L826 S831 Y832	E795-R828 IonicContact OE1-CZ 3.29Å; E795-R828 IonicContact OE1-NH1 3.37Å; E795-R828 PolarHBondContact OE1-NH1 2.68Å; E795-R828 IonicContact OE1-NH2 3.97Å; E795-R828 PolarHBondContact OE1-NH2 3.06Å; E795-R828 IonicContact OE2-CZ 3.44Å; E795-R828 IonicContact OE2-NH1 3.99Å; E795-R828 IonicContact OE2-NH2 3.12Å; E795-R828 PolarHBondContact OE2-NH2 3.03Å; W824-R828 WeakPolarHBondContact O-CB 3.46Å; W824-R828 PolarHBondContact O-N 2.59Å; W824-R828 VanDerWaalsContact O-N 3.13Å; L825-R828 WeakPolarHBondContact O-CB 3.41Å; L825-R828 PolarHBondContact O-N 3.11Å; L826-R828 PolarHBondContact O-N 3Å; R828-S831 WeakPolarHBondContact O-CB 3.29Å; R828-S831 PolarHBondContact O-N 2.88Å; R828-S831 VanDerWaalsContact O-N 3.16Å; R828-S831 PolarHBondContact O-OG 2.76Å; R828-Y832 WeakPolarHBondContact CD-OH 3.45Å; R828-Y832 HydrophobicContact CG-CE1 3.73Å; R828-Y832 HydrophobicContact CG-CE2 4.36Å; R828-Y832 PolarHBondContact NE-OH 3.17Å; R828-Y832 WeakPolarHBondContact O-CD1 3.28Å; R828-Y832 PolarHBondContact O-N 3.13Å
829	Y	98.5	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-43.1	-179.6	-165.9	-157.7	0	0	0	112.5	W794 W798 R814 L817 L825 L826 N827 S831 Y832 T833 I839 T847 I851	W794-Y829 HydrophobicContact CH2-CD2 4.42Å; W794-Y829 HydrophobicContact CZ2-CD1 4.32Å; W794-Y829 HydrophobicContact CZ2-CD2 4.14Å; W794-Y829 AromaticContact CZ2-CG 3.87Å; W794-Y829 HydrophobicContact CZ2-CG 3.87Å; W798-Y829 HydrophobicContact CE3-CE2 4.47Å; W798-Y829 HydrophobicContact CZ3-CD2 4.36Å; W798-Y829 AromaticContact CZ3-CE2 3.86Å; W798-Y829 HydrophobicContact CZ3-CE2 3.86Å; R814-Y829 WeakPolarHBondContact CA-OH 3.4Å; R814-Y829 WeakPolarHBondContact CG-OH 3.48Å; R814-Y829 PolarHBondContact O-OH 2.9Å; R814-Y829 VanDerWaalsContact O-OH 3.06Å; L817-Y829 HydrophobicContact CB-CD1 4.2Å; L817-Y829 HydrophobicContact CB-CE1 3.67Å; L817-Y829 HydrophobicContact CD1-CE2 4.49Å; L825-Y829 WeakPolarHBondContact O-CB 3.38Å; L825-Y829 PolarHBondContact O-N 3.01Å; L826-Y829 WeakPolarHBondContact O-CB 3.37Å; L826-Y829 PolarHBondContact O-N 3Å; L826-Y829 VanDerWaalsContact O-N 3.14Å; N827-Y829 VanDerWaalsContact C-N 3.26Å; N827-Y829 PolarHBondContact O-N 3.15Å; Y829-S831 VanDerWaalsContact C-N 3.27Å; Y829-S831 PolarHBondContact O-N 2.99Å; Y829-Y832 HydrophobicContact CD2-CD2 4.13Å; Y829-Y832 WeakPolarHBondContact O-CB 3.38Å; Y829-Y832 PolarHBondContact O-N 3.15Å; Y829-T833 PolarHBondContact O-N 3.44Å; Y829-I839 HydrophobicContact CE2-CD1 4Å; Y829-I839 HydrophobicContact CE2-CG1 4.47Å; Y829-T847 HydrophobicContact CD1-CG2 4.37Å; Y829-T847 HydrophobicContact CE1-CG2 3.77Å; Y829-T847 HydrophobicContact CE2-CG2 3.98Å; Y829-I851 HydrophobicContact CD1-CD1 3.56Å; Y829-I851 HydrophobicContact CD1-CG1 3.98Å; Y829-I851 HydrophobicContact CE1-CD1 4.2Å; Y829-I851 HydrophobicContact CE1-CG1 4.41Å; Y829-I851 HydrophobicContact CG-CD1 4.02Å
830	L	98.4	Very high	94.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-41.7	170	-72.7	167	0	0	0	111.6	L826 N827 Y832 T833 V848 I851 L860 F864	L826-L830 PolarHBondContact O-N 3.15Å; N827-L830 PolarHBondContact O-N 3.29Å; L830-Y832 PolarHBondContact O-N 2.91Å; L830-T833 PolarHBondContact O-N 2.86Å; L830-T833 PolarHBondContact O-OG1 3.07Å; L830-V848 HydrophobicContact CD2-CG1 4.29Å; L830-V848 HydrophobicContact CD2-CG2 4.09Å; L830-I851 HydrophobicContact CD1-CG2 4.28Å; L830-I851 HydrophobicContact CD2-CB 4.43Å; L830-I851 HydrophobicContact CD2-CD1 3.68Å; L830-I851 HydrophobicContact CD2-CG2 4.27Å; L830-I851 HydrophobicContact CG-CD1 3.77Å; L830-I851 HydrophobicContact CG-CG2 4.23Å; L830-L860 HydrophobicContact CD1-CB 3.8Å; L830-F864 HydrophobicContact CB-CD1 4.47Å; L830-F864 HydrophobicContact CB-CD2 3.86Å; L830-F864 HydrophobicContact CB-CE2 3.98Å; L830-F864 HydrophobicContact CB-CG 4.11Å; L830-F864 HydrophobicContact CB-CZ 4.33Å; L830-F864 HydrophobicContact CD1-CB 4.05Å; L830-F864 HydrophobicContact CD1-CG 4.31Å; L830-F864 HydrophobicContact CD2-CB 4.39Å; L830-F864 HydrophobicContact CD2-CD1 3.88Å; L830-F864 HydrophobicContact CD2-CE1 4.28Å; L830-F864 HydrophobicContact CD2-CG 4.07Å; L830-F864 HydrophobicContact CG-CG 4.39Å; L830-F864 WeakPolarHBondContact O-CE2 3.34Å; L830-F864 WeakPolarHBondContact O-CZ 3.16Å
831	S	97.9	Very high	94.2	Very high	56 Å²	56	53.9 Å²	53.9	39%	0.392	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-24.5	177	76.7	0	0	0	0	113.8	N827 R828 Y829 T833 L834	N827-S831 PolarHBondContact O-N 3.38Å; N827-S831 VanDerWaalsContact O-N 3.09Å; R828-S831 WeakPolarHBondContact O-CB 3.29Å; R828-S831 PolarHBondContact O-N 2.88Å; R828-S831 VanDerWaalsContact O-N 3.16Å; R828-S831 PolarHBondContact O-OG 2.76Å; Y829-S831 VanDerWaalsContact C-N 3.27Å; Y829-S831 PolarHBondContact O-N 2.99Å; S831-T833 VanDerWaalsContact C-N 3.29Å; S831-L834 PolarHBondContact O-N 3.06Å
832	Y	97.8	Very high	93.6	Very high	31 Å²	31	48.9 Å²	48.9	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-74	-21.3	175.4	-62.7	-11.6	0	0	0	112.4	W794 W798 R828 Y829 L830 L834 D835 K838	W794-Y832 HydrophobicContact CH2-CD2 4.41Å; W794-Y832 AromaticContact CH2-CE2 3.91Å; W794-Y832 HydrophobicContact CH2-CE2 3.91Å; W794-Y832 HydrophobicContact CZ3-CE2 4.39Å; W798-Y832 HydrophobicContact CD2-CD2 4.39Å; W798-Y832 HydrophobicContact CD2-CE2 4.07Å; W798-Y832 AromaticContact CE2-CD2 3.93Å; W798-Y832 AromaticContact CE2-CE2 3.58Å; W798-Y832 HydrophobicContact CE3-CD2 4.35Å; W798-Y832 HydrophobicContact CE3-CE2 4.43Å; W798-Y832 AromaticContact CH2-CD2 3.43Å; W798-Y832 HydrophobicContact CH2-CD2 3.43Å; W798-Y832 VanDerWaalsContact CH2-CD2 3.43Å; W798-Y832 AromaticContact CH2-CE2 3.99Å; W798-Y832 HydrophobicContact CH2-CE2 3.99Å; W798-Y832 HydrophobicContact CH2-CG 4.28Å; W798-Y832 AromaticContact CZ2-CD2 3.43Å; W798-Y832 HydrophobicContact CZ2-CD2 3.43Å; W798-Y832 VanDerWaalsContact CZ2-CD2 3.43Å; W798-Y832 AromaticContact CZ2-CE2 3.54Å; W798-Y832 HydrophobicContact CZ2-CE2 3.54Å; W798-Y832 HydrophobicContact CZ2-CG 4.33Å; W798-Y832 AromaticContact CZ3-CD2 3.91Å; W798-Y832 HydrophobicContact CZ3-CD2 3.91Å; W798-Y832 HydrophobicContact CZ3-CE2 4.4Å; R828-Y832 WeakPolarHBondContact CD-OH 3.45Å; R828-Y832 HydrophobicContact CG-CE1 3.73Å; R828-Y832 HydrophobicContact CG-CE2 4.36Å; R828-Y832 PolarHBondContact NE-OH 3.17Å; R828-Y832 WeakPolarHBondContact O-CD1 3.28Å; R828-Y832 PolarHBondContact O-N 3.13Å; Y829-Y832 HydrophobicContact CD2-CD2 4.13Å; Y829-Y832 WeakPolarHBondContact O-CB 3.38Å; Y829-Y832 PolarHBondContact O-N 3.15Å; L830-Y832 PolarHBondContact O-N 2.91Å; Y832-L834 PolarHBondContact O-N 2.95Å; Y832-D835 PolarHBondContact O-N 3.46Å; Y832-D835 VanDerWaalsContact O-N 3.16Å; Y832-K838 HydrophobicContact CD1-CD 3.66Å; Y832-K838 HydrophobicContact CD2-CD 4.3Å; Y832-K838 HydrophobicContact CE1-CD 4.17Å; Y832-K838 HydrophobicContact CG-CD 3.74Å
833	T	95.7	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.7	176.7	74.8	0	0	0	0	112.9	Y829 L830 S831 D835 I839 V844 T847 V848 F864 Y871	Y829-T833 PolarHBondContact O-N 3.44Å; L830-T833 PolarHBondContact O-N 2.86Å; L830-T833 PolarHBondContact O-OG1 3.07Å; S831-T833 VanDerWaalsContact C-N 3.29Å; T833-D835 VanDerWaalsContact C-N 3.28Å; T833-I839 HydrophobicContact CG2-CG2 4.43Å; T833-V844 WeakPolarHBondContact O-CG2 3.21Å; T833-T847 HydrophobicContact CG2-CG2 3.63Å; T833-V848 HydrophobicContact CG2-CG2 4.33Å; T833-F864 WeakPolarHBondContact OG1-CE1 3.39Å; T833-F864 WeakPolarHBondContact OG1-CZ 3.41Å; T833-Y871 VanDerWaalsContact O-CE1 3.24Å; T833-Y871 WeakPolarHBondContact O-CE1 3.31Å; T833-Y871 PolarHBondContact O-OH 2.81Å
834	L	94.4	Very high	92.9	Very high	60 Å²	60	42.5 Å²	42.5	31%	0.314	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.3	172.9	-56.6	179.8	0	0	0	112.9	S831 Y832 F864 H868 Y871	S831-L834 PolarHBondContact O-N 3.06Å; Y832-L834 PolarHBondContact O-N 2.95Å; L834-F864 HydrophobicContact CD1-CE2 3.9Å; L834-F864 HydrophobicContact CD1-CZ 4.08Å; L834-F864 HydrophobicContact CD2-CE1 4.44Å; L834-F864 HydrophobicContact CD2-CE2 4.26Å; L834-F864 HydrophobicContact CD2-CZ 3.61Å; L834-F864 HydrophobicContact CG-CE2 4Å; L834-F864 HydrophobicContact CG-CZ 3.67Å; L834-H868 HydrophobicContact CD2-CB 4.12Å; L834-Y871 HydrophobicContact CD2-CD1 3.64Å; L834-Y871 HydrophobicContact CD2-CE1 4.04Å; L834-Y871 HydrophobicContact CD2-CG 4.36Å
835	D	92	Very high	92.6	Very high	47 Å²	47	37.4 Å²	37.4	25%	0.251	19%	0.193	S	C	.	.			trans	-120.2	98	-175	-172.9	-13.4	0	0	0	108.6	Y832 T833 D837 K838 I839	Y832-D835 PolarHBondContact O-N 3.46Å; Y832-D835 VanDerWaalsContact O-N 3.16Å; T833-D835 VanDerWaalsContact C-N 3.28Å; D835-D837 PolarHBondContact O-N 3.08Å; D835-D837 VanDerWaalsContact O-N 3.1Å; D835-D837 PolarHBondContact OD1-N 2.77Å; D835-K838 HydrophobicContact CB-CB 4.3Å; D835-K838 HydrophobicContact CB-CD 4.21Å; D835-K838 HydrophobicContact CB-CG 4.32Å; D835-K838 PolarHBondContact O-N 3.19Å; D835-K838 WeakPolarHBondContact OD2-CD 3.34Å; D835-K838 VanDerWaalsContact OD2-CE 3.26Å; D835-K838 WeakPolarHBondContact OD2-CE 3.43Å; D835-K838 IonicContact OD2-NZ 2.71Å; D835-K838 PolarHBondContact OD2-NZ 3.42Å; D835-I839 PolarHBondContact O-N 3.3Å
836	P	84.6	Confident	92.3	Very high	75 Å²	75	39.2 Å²	39.2	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.7	-176.5	-25.5	32.7	0	0	0	114.4	K838 I839	P836-K838 VanDerWaalsContact C-N 3.25Å; P836-K838 PolarHBondContact O-N 3.22Å; P836-I839 WeakPolarHBondContact CA-O 3.28Å
837	D	84	Confident	92.2	Very high	129 Å²	129	39.2 Å²	39.2	69%	0.69	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-14.5	177.5	-67.3	-37.7	0	0	0	112.5	K187 D835	K187-D837 IonicContact NZ-OD1 2.76Å; D835-D837 PolarHBondContact O-N 3.08Å; D835-D837 VanDerWaalsContact O-N 3.1Å; D835-D837 PolarHBondContact OD1-N 2.77Å
838	K	90.3	Very high	92.2	Very high	75 Å²	75	35.5 Å²	35.5	33%	0.326	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-47.9	175.2	-68.6	-177.8	-172.9	129.3	0	112.4	W798 F801 Y832 D835 P836	W798-K838 HydrophobicContact CH2-CB 4.17Å; W798-K838 HydrophobicContact CZ2-CB 4.29Å; W798-K838 HydrophobicContact CZ2-CD 4.29Å; W798-K838 HydrophobicContact CZ2-CG 4.35Å; F801-K838 WeakPolarHBondContact CE1-O 3.44Å; Y832-K838 HydrophobicContact CD1-CD 3.66Å; Y832-K838 HydrophobicContact CD2-CD 4.3Å; Y832-K838 HydrophobicContact CE1-CD 4.17Å; Y832-K838 HydrophobicContact CG-CD 3.74Å; D835-K838 HydrophobicContact CB-CB 4.3Å; D835-K838 HydrophobicContact CB-CD 4.21Å; D835-K838 HydrophobicContact CB-CG 4.32Å; D835-K838 PolarHBondContact O-N 3.19Å; D835-K838 WeakPolarHBondContact OD2-CD 3.34Å; D835-K838 VanDerWaalsContact OD2-CE 3.26Å; D835-K838 WeakPolarHBondContact OD2-CE 3.43Å; D835-K838 IonicContact OD2-NZ 2.71Å; D835-K838 PolarHBondContact OD2-NZ 3.42Å; P836-K838 VanDerWaalsContact C-N 3.25Å; P836-K838 PolarHBondContact O-N 3.22Å
839	I	91.1	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-131.6	118.3	179	-58.9	-66.7	0	0	0	106.9	W798 F801 Y829 T833 D835 P836 D843 V844	W798-I839 HydrophobicContact CH2-CD1 4.2Å; W798-I839 HydrophobicContact CZ3-CD1 4.16Å; F801-I839 HydrophobicContact CE1-CD1 3.84Å; F801-I839 HydrophobicContact CZ-CD1 3.76Å; Y829-I839 HydrophobicContact CE2-CD1 4Å; Y829-I839 HydrophobicContact CE2-CG1 4.47Å; T833-I839 HydrophobicContact CG2-CG2 4.43Å; D835-I839 PolarHBondContact O-N 3.3Å; P836-I839 WeakPolarHBondContact CA-O 3.28Å; I839-D843 HydrophobicContact CG2-CB 3.82Å; I839-V844 HydrophobicContact CG2-CG2 4.32Å
840	R	86.3	Confident	92	Very high	66 Å²	66	35.5 Å²	35.5	25%	0.249	19%	0.188	C	C	.	.			trans	-60.1	150.7	179.2	-61	178.8	-65	168.1	3.8	110.2	P341 D342 M842 D843 V844	P341-R840 PolarHBondContact O-NH1 2.81Å; D342-R840 IonicContact OD1-NH1 3.42Å; R840-M842 HydrophobicContact CB-CG 4.06Å; R840-M842 PolarHBondContact O-N 3.39Å; R840-D843 IonicContact CZ-OD2 3.31Å; R840-D843 VanDerWaalsContact CZ-OD2 3.26Å; R840-D843 IonicContact NE-OD2 2.72Å; R840-D843 PolarHBondContact NE-OD2 3.46Å; R840-D843 IonicContact NH2-OD1 3.09Å; R840-D843 PolarHBondContact NH2-OD1 3.26Å; R840-D843 IonicContact NH2-OD2 2.73Å; R840-D843 PolarHBondContact NH2-OD2 3.21Å; R840-D843 WeakPolarHBondContact O-CA 3.4Å; R840-D843 WeakPolarHBondContact O-CB 3.38Å; R840-D843 PolarHBondContact O-N 2.91Å; R840-V844 PolarHBondContact O-N 2.99Å
841	L	82.6	Confident	92	Very high	50 Å²	50	35.4 Å²	35.4	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-55	-41.6	-179.3	-174.2	60.9	0	0	0	112.2	Y179 D843 V844 Y871 Q874	Y179-L841 HydrophobicContact CD1-CD2 4.37Å; L841-D843 PolarHBondContact O-N 3.4Å; L841-V844 HydrophobicContact CD1-CG2 4.38Å; L841-V844 WeakPolarHBondContact O-CB 3.32Å; L841-V844 WeakPolarHBondContact O-CG2 3.46Å; L841-V844 PolarHBondContact O-N 3.24Å; L841-V844 VanDerWaalsContact O-N 3.15Å; L841-Y871 HydrophobicContact CD1-CE1 4.29Å; L841-Y871 HydrophobicContact CD1-CE2 4.43Å; L841-Q874 HydrophobicContact CD1-CB 4.47Å; L841-Q874 HydrophobicContact CD2-CB 4.41Å
842	M	83.1	Confident	91.9	Very high	41 Å²	41	32.7 Å²	32.7	20%	0.202	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-25.6	176.4	68.6	-172.8	-60.3	0	0	114.1	L180 D342 L343 Q357 R840	L180-M842 HydrophobicContact CD1-CB 4.45Å; D342-M842 HydrophobicContact CB-SD 4.19Å; L343-M842 VanDerWaalsContact O-CE 3.3Å; L343-M842 WeakPolarHBondContact O-CE 3.38Å; Q357-M842 HydrophobicContact CG-CE 4.13Å; R840-M842 HydrophobicContact CB-CG 4.06Å; R840-M842 PolarHBondContact O-N 3.39Å
843	D	89.1	Confident	91.8	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.059	18%	0.182	C	C	.	.	H	α-helix	trans	-90.6	-9.4	-179.3	-66.7	-37.4	0	0	0	112.4	R814 I839 R840 L841 S846 T847	R814-D843 IonicContact CZ-OD1 3.59Å; R814-D843 IonicContact NE-OD1 3.57Å; R814-D843 PolarHBondContact NH1-O 3.1Å; R814-D843 IonicContact NH2-OD1 2.76Å; R814-D843 PolarHBondContact NH2-OD1 2.87Å; I839-D843 HydrophobicContact CG2-CB 3.82Å; R840-D843 IonicContact CZ-OD2 3.31Å; R840-D843 VanDerWaalsContact CZ-OD2 3.26Å; R840-D843 IonicContact NE-OD2 2.72Å; R840-D843 PolarHBondContact NE-OD2 3.46Å; R840-D843 IonicContact NH2-OD1 3.09Å; R840-D843 PolarHBondContact NH2-OD1 3.26Å; R840-D843 IonicContact NH2-OD2 2.73Å; R840-D843 PolarHBondContact NH2-OD2 3.21Å; R840-D843 WeakPolarHBondContact O-CA 3.4Å; R840-D843 WeakPolarHBondContact O-CB 3.38Å; R840-D843 PolarHBondContact O-N 2.91Å; L841-D843 PolarHBondContact O-N 3.4Å; D843-S846 PolarHBondContact O-OG 2.81Å; D843-T847 VanDerWaalsContact O-CB 3.32Å; D843-T847 WeakPolarHBondContact O-CB 3.47Å; D843-T847 PolarHBondContact O-N 3.12Å; D843-T847 PolarHBondContact O-OG1 3.04Å; D843-T847 VanDerWaalsContact O-OG1 3.09Å
844	V	92.2	Very high	91.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-54.4	-175.3	171.5	0	0	0	0	111.3	T833 I839 R840 L841 S846 T847 V848 Y871 V872	T833-V844 WeakPolarHBondContact O-CG2 3.21Å; I839-V844 HydrophobicContact CG2-CG2 4.32Å; R840-V844 PolarHBondContact O-N 2.99Å; L841-V844 HydrophobicContact CD1-CG2 4.38Å; L841-V844 WeakPolarHBondContact O-CB 3.32Å; L841-V844 WeakPolarHBondContact O-CG2 3.46Å; L841-V844 PolarHBondContact O-N 3.24Å; L841-V844 VanDerWaalsContact O-N 3.15Å; V844-S846 PolarHBondContact O-N 3.2Å; V844-T847 PolarHBondContact O-N 2.94Å; V844-V848 HydrophobicContact CG1-CG2 4.32Å; V844-V848 WeakPolarHBondContact O-CG2 3.5Å; V844-V848 PolarHBondContact O-N 2.93Å; V844-Y871 HydrophobicContact CG2-CE1 4.36Å; V844-V872 HydrophobicContact CG1-CB 4.32Å; V844-V872 HydrophobicContact CG1-CG1 4.04Å
845	T	92.1	Very high	91.8	Very high	10 Å²	10	35.7 Å²	35.7	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-49.7	-177.2	-67.1	0	0	0	0	111.3	T847 V848 N849 D876 L880	T845-T847 PolarHBondContact O-N 3.07Å; T845-V848 PolarHBondContact O-N 3.38Å; T845-N849 WeakPolarHBondContact O-CB 3.49Å; T845-N849 PolarHBondContact O-N 2.77Å; T845-D876 HydrophobicContact CG2-CB 4.35Å; T845-D876 WeakPolarHBondContact CG2-O 3.47Å; T845-D876 PolarHBondContact OG1-O 3.05Å; T845-L880 HydrophobicContact CG2-CB 3.95Å; T845-L880 HydrophobicContact CG2-CD1 4.41Å
846	S	92.9	Very high	92	Very high	38 Å²	38	35 Å²	35	27%	0.266	19%	0.192	S	C	.	.	H	α-helix	trans	-66	-38.2	-179.6	45.2	0	0	0	0	112.1	R814 D843 V844 N849 H850	R814-S846 PolarHBondContact NH1-OG 3.26Å; R814-S846 PolarHBondContact NH2-OG 3.35Å; R814-S846 VanDerWaalsContact NH2-OG 3.1Å; D843-S846 PolarHBondContact O-OG 2.81Å; V844-S846 PolarHBondContact O-N 3.2Å; S846-N849 PolarHBondContact O-N 2.82Å; S846-H850 WeakPolarHBondContact O-CB 3.45Å; S846-H850 PolarHBondContact O-N 2.88Å; S846-H850 PolarHBondContact O-ND1 2.79Å
847	T	96.5	Very high	92.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-45	174.9	-70.1	0	0	0	0	112	R814 Y829 T833 D843 V844 T845 N849 H850 I851	R814-T847 VanDerWaalsContact CD-OG1 3.31Å; R814-T847 WeakPolarHBondContact CD-OG1 3.49Å; R814-T847 VanDerWaalsContact CG-OG1 3.32Å; R814-T847 WeakPolarHBondContact CG-OG1 3.24Å; R814-T847 VanDerWaalsContact NH1-N 3.18Å; R814-T847 PolarHBondContact NH1-OG1 3.49Å; Y829-T847 HydrophobicContact CD1-CG2 4.37Å; Y829-T847 HydrophobicContact CE1-CG2 3.77Å; Y829-T847 HydrophobicContact CE2-CG2 3.98Å; T833-T847 HydrophobicContact CG2-CG2 3.63Å; D843-T847 VanDerWaalsContact O-CB 3.32Å; D843-T847 WeakPolarHBondContact O-CB 3.47Å; D843-T847 PolarHBondContact O-N 3.12Å; D843-T847 PolarHBondContact O-OG1 3.04Å; D843-T847 VanDerWaalsContact O-OG1 3.09Å; V844-T847 PolarHBondContact O-N 2.94Å; T845-T847 PolarHBondContact O-N 3.07Å; T847-N849 VanDerWaalsContact C-N 3.32Å; T847-N849 PolarHBondContact O-N 3.26Å; T847-H850 PolarHBondContact O-N 2.79Å; T847-I851 HydrophobicContact CG2-CD1 4.11Å; T847-I851 WeakPolarHBondContact O-CG1 3.45Å; T847-I851 PolarHBondContact O-N 2.91Å; T847-I851 VanDerWaalsContact O-N 3.08Å
848	V	97.5	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-41.7	178	176.4	0	0	0	0	110.5	L830 T833 V844 T845 I851 A852 A861 F864 I865 L880 V884	L830-V848 HydrophobicContact CD2-CG1 4.29Å; L830-V848 HydrophobicContact CD2-CG2 4.09Å; T833-V848 HydrophobicContact CG2-CG2 4.33Å; V844-V848 HydrophobicContact CG1-CG2 4.32Å; V844-V848 WeakPolarHBondContact O-CG2 3.5Å; V844-V848 PolarHBondContact O-N 2.93Å; T845-V848 PolarHBondContact O-N 3.38Å; V848-I851 PolarHBondContact O-N 3.11Å; V848-A852 WeakPolarHBondContact O-CB 3.44Å; V848-A852 PolarHBondContact O-N 2.76Å; V848-A861 HydrophobicContact CG1-CB 4.17Å; V848-F864 HydrophobicContact CG2-CD1 4.43Å; V848-F864 HydrophobicContact CG2-CE1 4.16Å; V848-I865 HydrophobicContact CG1-CG2 3.76Å; V848-L880 HydrophobicContact CB-CD1 3.81Å; V848-L880 HydrophobicContact CG1-CD1 3.65Å; V848-V884 HydrophobicContact CG1-CG2 3.96Å
849	N	96.3	Very high	93.5	Very high	15 Å²	15	24.9 Å²	24.9	8%	0.08	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-41.7	175.9	-78.1	-11.7	0	0	0	112.2	T845 S846 T847 I851 A852 Q853 S879 L880 G883	T845-N849 WeakPolarHBondContact O-CB 3.49Å; T845-N849 PolarHBondContact O-N 2.77Å; S846-N849 PolarHBondContact O-N 2.82Å; T847-N849 VanDerWaalsContact C-N 3.32Å; T847-N849 PolarHBondContact O-N 3.26Å; N849-I851 VanDerWaalsContact C-N 3.27Å; N849-I851 PolarHBondContact O-N 3.33Å; N849-A852 PolarHBondContact O-N 3.25Å; N849-Q853 WeakPolarHBondContact O-CB 3.46Å; N849-Q853 VanDerWaalsContact O-CG 3.29Å; N849-Q853 WeakPolarHBondContact O-CG 3.17Å; N849-Q853 PolarHBondContact O-N 3.4Å; N849-S879 PolarHBondContact ND2-O 2.88Å; N849-S879 PolarHBondContact ND2-OG 3.06Å; N849-L880 PolarHBondContact OD1-O 3.46Å; N849-G883 WeakPolarHBondContact OD1-CA 3.39Å
850	H	96.8	Very high	93.8	Very high	37 Å²	37	26.4 Å²	26.4	17%	0.171	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-34.8	173.3	-70.4	142	0	0	0	112.8	S818 S846 T847	S818-H850 WeakPolarHBondContact CB-O 3.32Å; S818-H850 PolarHBondContact OG-O 3.15Å; S846-H850 WeakPolarHBondContact O-CB 3.45Å; S846-H850 PolarHBondContact O-N 2.88Å; S846-H850 PolarHBondContact O-ND1 2.79Å; T847-H850 PolarHBondContact O-N 2.79Å
851	I	98.2	Very high	94.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-74	-41	175.3	-65.1	167.5	0	0	0	110.5	L826 Y829 L830 T847 V848 N849 Q853 N854 G857 A861	L826-I851 HydrophobicContact CB-CG2 4.33Å; L826-I851 HydrophobicContact CD2-CG2 4.37Å; Y829-I851 HydrophobicContact CD1-CD1 3.56Å; Y829-I851 HydrophobicContact CD1-CG1 3.98Å; Y829-I851 HydrophobicContact CE1-CD1 4.2Å; Y829-I851 HydrophobicContact CE1-CG1 4.41Å; Y829-I851 HydrophobicContact CG-CD1 4.02Å; L830-I851 HydrophobicContact CD1-CG2 4.28Å; L830-I851 HydrophobicContact CD2-CB 4.43Å; L830-I851 HydrophobicContact CD2-CD1 3.68Å; L830-I851 HydrophobicContact CD2-CG2 4.27Å; L830-I851 HydrophobicContact CG-CD1 3.77Å; L830-I851 HydrophobicContact CG-CG2 4.23Å; T847-I851 HydrophobicContact CG2-CD1 4.11Å; T847-I851 WeakPolarHBondContact O-CG1 3.45Å; T847-I851 PolarHBondContact O-N 2.91Å; T847-I851 VanDerWaalsContact O-N 3.08Å; V848-I851 PolarHBondContact O-N 3.11Å; N849-I851 VanDerWaalsContact C-N 3.27Å; N849-I851 PolarHBondContact O-N 3.33Å; I851-Q853 VanDerWaalsContact C-N 3.26Å; I851-Q853 PolarHBondContact O-N 3.09Å; I851-N854 WeakPolarHBondContact O-CB 3.44Å; I851-N854 PolarHBondContact O-N 3.31Å; I851-N854 VanDerWaalsContact O-N 3.1Å; I851-G857 CarbonylContact O-C 3.56Å; I851-G857 WeakPolarHBondContact O-CA 3.33Å; I851-A861 HydrophobicContact CG2-CB 4.47Å
852	A	97.4	Very high	95.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-37.1	175.8	0	0	0	0	0	111.5	V848 N849 N854 Q858 A861 V884 R887	V848-A852 WeakPolarHBondContact O-CB 3.44Å; V848-A852 PolarHBondContact O-N 2.76Å; N849-A852 PolarHBondContact O-N 3.25Å; A852-N854 PolarHBondContact O-N 2.87Å; A852-N854 VanDerWaalsContact O-N 3.15Å; A852-Q858 PolarHBondContact O-OE1 2.85Å; A852-A861 HydrophobicContact CB-CB 3.72Å; A852-V884 HydrophobicContact CB-CB 4.38Å; A852-V884 HydrophobicContact CB-CG2 3.97Å; A852-R887 PolarHBondContact O-NH1 3.4Å
853	Q	94.3	Very high	95.8	Very high	82 Å²	82	23.3 Å²	23.3	38%	0.383	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16	173.6	-78.9	175.8	2.7	0	0	114	N849 I851 R887	N849-Q853 WeakPolarHBondContact O-CB 3.46Å; N849-Q853 VanDerWaalsContact O-CG 3.29Å; N849-Q853 WeakPolarHBondContact O-CG 3.17Å; N849-Q853 PolarHBondContact O-N 3.4Å; I851-Q853 VanDerWaalsContact C-N 3.26Å; I851-Q853 PolarHBondContact O-N 3.09Å; Q853-R887 PolarHBondContact O-NH1 3.46Å; Q853-R887 PolarHBondContact O-NH2 3.32Å
854	N	95.2	Very high	96.2	Very high	26 Å²	26	23.9 Å²	23.9	14%	0.139	15%	0.145	C	C	.	.	S	Bend	trans	-89	128.4	171.7	-175.6	-27.4	0	0	0	110.5	S818 T820 I851 A852 A856 G857 Q858	S818-N854 PolarHBondContact O-ND2 2.89Å; T820-N854 PolarHBondContact O-ND2 3.21Å; I851-N854 WeakPolarHBondContact O-CB 3.44Å; I851-N854 PolarHBondContact O-N 3.31Å; I851-N854 VanDerWaalsContact O-N 3.1Å; A852-N854 PolarHBondContact O-N 2.87Å; A852-N854 VanDerWaalsContact O-N 3.15Å; N854-A856 PolarHBondContact O-N 2.83Å; N854-A856 VanDerWaalsContact O-N 3.12Å; N854-A856 WeakPolarHBondContact OD1-CB 3.32Å; N854-A856 PolarHBondContact OD1-N 3.33Å; N854-G857 CarbonylContact O-C 3.53Å; N854-G857 WeakPolarHBondContact O-CA 3.45Å; N854-G857 PolarHBondContact O-N 3.45Å; N854-Q858 PolarHBondContact O-N 3.38Å
855	A	95.2	Very high	96.4	Very high	45 Å²	45	23.8 Å²	23.8	37%	0.372	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-33.1	177.6	0	0	0	0	0	113.2
856	A	95.9	Very high	96.6	Very high	34 Å²	34	27.3 Å²	27.3	28%	0.281	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.6	174.8	0	0	0	0	0	113.5	T823 L826 N854	T823-A856 HydrophobicContact CG2-CB 4.4Å; L826-A856 HydrophobicContact CD1-CB 4.16Å; N854-A856 PolarHBondContact O-N 2.83Å; N854-A856 VanDerWaalsContact O-N 3.12Å; N854-A856 WeakPolarHBondContact OD1-CB 3.32Å; N854-A856 PolarHBondContact OD1-N 3.33Å
857	G	97.1	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-23.6	-177.6	0	0	0	0	0	114.7	I851 N854 A859 L860 A861	I851-G857 CarbonylContact O-C 3.56Å; I851-G857 WeakPolarHBondContact O-CA 3.33Å; N854-G857 CarbonylContact O-C 3.53Å; N854-G857 WeakPolarHBondContact O-CA 3.45Å; N854-G857 PolarHBondContact O-N 3.45Å; G857-A859 PolarHBondContact O-N 2.86Å; G857-L860 WeakPolarHBondContact O-CA 3.4Å; G857-L860 VanDerWaalsContact O-CB 3.29Å; G857-L860 WeakPolarHBondContact O-CB 3.5Å; G857-L860 PolarHBondContact O-N 3.4Å; G857-A861 PolarHBondContact O-N 3.48Å
858	Q	96.6	Very high	96.7	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-47.4	-55.2	-174.5	175.5	59.9	11.2	0	0	114	A852 N854 L860 A861 W862 V884 R887	A852-Q858 PolarHBondContact O-OE1 2.85Å; N854-Q858 PolarHBondContact O-N 3.38Å; Q858-L860 VanDerWaalsContact C-N 3.26Å; Q858-L860 PolarHBondContact O-N 3.41Å; Q858-A861 PolarHBondContact O-N 3.07Å; Q858-W862 PolarHBondContact O-N 2.98Å; Q858-V884 PolarHBondContact NE2-O 2.83Å; Q858-R887 HydrophobicContact CG-CB 4.28Å
859	A	96.2	Very high	96.6	Very high	62 Å²	62	33 Å²	33	51%	0.512	19%	0.19	S	C	.	.	H	α-helix	trans	-67.7	-28.2	-179.4	0	0	0	0	0	112.7	G857 N863	G857-A859 PolarHBondContact O-N 2.86Å; A859-N863 WeakPolarHBondContact O-CB 3.32Å; A859-N863 PolarHBondContact O-N 3.35Å; A859-N863 PolarHBondContact O-ND2 2.86Å
860	L	98.3	Very high	96.3	Very high	32 Å²	32	38.6 Å²	38.6	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-70.5	-48.4	177.2	-53.8	179.4	0	0	0	110.2	T823 L826 L830 G857 Q858 N863 F864	T823-L860 HydrophobicContact CG2-CD1 4.44Å; L826-L860 HydrophobicContact CB-CD1 3.9Å; L830-L860 HydrophobicContact CD1-CB 3.8Å; G857-L860 WeakPolarHBondContact O-CA 3.4Å; G857-L860 VanDerWaalsContact O-CB 3.29Å; G857-L860 WeakPolarHBondContact O-CB 3.5Å; G857-L860 PolarHBondContact O-N 3.4Å; Q858-L860 VanDerWaalsContact C-N 3.26Å; Q858-L860 PolarHBondContact O-N 3.41Å; L860-N863 PolarHBondContact O-N 2.84Å; L860-F864 VanDerWaalsContact O-CB 3.24Å; L860-F864 WeakPolarHBondContact O-CB 3.38Å; L860-F864 PolarHBondContact O-N 3.39Å
861	A	98.1	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-45.8	177.6	0	0	0	0	0	111.6	V848 I851 A852 G857 Q858 N863 F864 I865 V884	V848-A861 HydrophobicContact CG1-CB 4.17Å; I851-A861 HydrophobicContact CG2-CB 4.47Å; A852-A861 HydrophobicContact CB-CB 3.72Å; G857-A861 PolarHBondContact O-N 3.48Å; Q858-A861 PolarHBondContact O-N 3.07Å; A861-N863 PolarHBondContact O-N 2.91Å; A861-F864 WeakPolarHBondContact O-CB 3.36Å; A861-F864 PolarHBondContact O-N 3.4Å; A861-F864 VanDerWaalsContact O-N 3.17Å; A861-I865 PolarHBondContact O-N 3.17Å; A861-V884 HydrophobicContact CB-CG1 4.46Å; A861-V884 HydrophobicContact CB-CG2 4.47Å
862	W	97.9	Very high	95.5	Very high	8 Å²	8	40.1 Å²	40.1	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-43.3	176.9	176.5	-128	0	0	0	113.2	Q858 F864 I865 R866 V884 T885 F888 E896 L897 F900	Q858-W862 PolarHBondContact O-N 2.98Å; W862-F864 VanDerWaalsContact C-N 3.34Å; W862-I865 HydrophobicContact CE3-CD1 3.76Å; W862-I865 HydrophobicContact CE3-CG1 3.95Å; W862-I865 HydrophobicContact CZ3-CD1 3.86Å; W862-I865 HydrophobicContact CZ3-CG1 4.33Å; W862-R866 HydrophobicContact CD2-CG 4.32Å; W862-R866 HydrophobicContact CE3-CG 4.34Å; W862-R866 HydrophobicContact CH2-CG 4.22Å; W862-R866 HydrophobicContact CZ2-CG 4.2Å; W862-R866 HydrophobicContact CZ3-CG 4.29Å; W862-R866 VanDerWaalsContact NE1-CZ 3.3Å; W862-R866 WeakPolarHBondContact O-CG 3.45Å; W862-R866 PolarHBondContact O-N 3Å; W862-V884 HydrophobicContact CB-CG1 3.91Å; W862-V884 HydrophobicContact CE3-CG1 3.84Å; W862-T885 HydrophobicContact CZ3-CG2 4.13Å; W862-F888 HydrophobicContact CD2-CE2 4.32Å; W862-F888 AromaticContact CD2-CZ 3.66Å; W862-F888 HydrophobicContact CD2-CZ 3.66Å; W862-F888 AromaticContact CE2-CZ 3.76Å; W862-F888 HydrophobicContact CE3-CE2 4.49Å; W862-F888 HydrophobicContact CE3-CZ 4.06Å; W862-F888 AromaticContact CG-CZ 3.86Å; W862-F888 HydrophobicContact CG-CZ 3.86Å; W862-F888 HydrophobicContact CH2-CE2 4.37Å; W862-F888 HydrophobicContact CZ2-CE2 4.17Å; W862-F888 HydrophobicContact CZ2-CZ 4.26Å; W862-F888 AromaticContact NE1-CZ 3.96Å; W862-E896 HydrophobicContact CZ2-CB 4.17Å; W862-L897 HydrophobicContact CH2-CD1 3.95Å; W862-L897 HydrophobicContact CZ3-CD1 4.49Å; W862-F900 HydrophobicContact CH2-CB 3.72Å; W862-F900 AromaticContact CH2-CD1 3.68Å; W862-F900 HydrophobicContact CH2-CD1 3.68Å; W862-F900 HydrophobicContact CH2-CE1 4.48Å; W862-F900 AromaticContact CH2-CG 3.76Å; W862-F900 HydrophobicContact CH2-CG 3.76Å; W862-F900 HydrophobicContact CZ2-CB 4.17Å; W862-F900 HydrophobicContact CZ3-CD1 4.01Å; W862-F900 HydrophobicContact CZ3-CE1 4.39Å; W862-F900 HydrophobicContact CZ3-CG 4.38Å
863	N	97.8	Very high	95	Very high	84 Å²	84	41.2 Å²	41.2	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-67.2	-38	175.9	-71.4	-25.5	0	0	0	112.1	A859 L860 A861 R866 A867	A859-N863 WeakPolarHBondContact O-CB 3.32Å; A859-N863 PolarHBondContact O-N 3.35Å; A859-N863 PolarHBondContact O-ND2 2.86Å; L860-N863 PolarHBondContact O-N 2.84Å; A861-N863 PolarHBondContact O-N 2.91Å; N863-R866 PolarHBondContact OD1-NH2 2.98Å; N863-A867 PolarHBondContact O-N 3.24Å
864	F	97.9	Very high	94.3	Very high	22 Å²	22	42 Å²	42	10%	0.096	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-49.2	-179.7	177.7	-96.2	0	0	0	112.2	L830 T833 L834 V848 L860 A861 W862 R866 A867 H868 V872	L830-F864 HydrophobicContact CB-CD1 4.47Å; L830-F864 HydrophobicContact CB-CD2 3.86Å; L830-F864 HydrophobicContact CB-CE2 3.98Å; L830-F864 HydrophobicContact CB-CG 4.11Å; L830-F864 HydrophobicContact CB-CZ 4.33Å; L830-F864 HydrophobicContact CD1-CB 4.05Å; L830-F864 HydrophobicContact CD1-CG 4.31Å; L830-F864 HydrophobicContact CD2-CB 4.39Å; L830-F864 HydrophobicContact CD2-CD1 3.88Å; L830-F864 HydrophobicContact CD2-CE1 4.28Å; L830-F864 HydrophobicContact CD2-CG 4.07Å; L830-F864 HydrophobicContact CG-CG 4.39Å; L830-F864 WeakPolarHBondContact O-CE2 3.34Å; L830-F864 WeakPolarHBondContact O-CZ 3.16Å; T833-F864 WeakPolarHBondContact OG1-CE1 3.39Å; T833-F864 WeakPolarHBondContact OG1-CZ 3.41Å; L834-F864 HydrophobicContact CD1-CE2 3.9Å; L834-F864 HydrophobicContact CD1-CZ 4.08Å; L834-F864 HydrophobicContact CD2-CE1 4.44Å; L834-F864 HydrophobicContact CD2-CE2 4.26Å; L834-F864 HydrophobicContact CD2-CZ 3.61Å; L834-F864 HydrophobicContact CG-CE2 4Å; L834-F864 HydrophobicContact CG-CZ 3.67Å; V848-F864 HydrophobicContact CG2-CD1 4.43Å; V848-F864 HydrophobicContact CG2-CE1 4.16Å; L860-F864 VanDerWaalsContact O-CB 3.24Å; L860-F864 WeakPolarHBondContact O-CB 3.38Å; L860-F864 PolarHBondContact O-N 3.39Å; A861-F864 WeakPolarHBondContact O-CB 3.36Å; A861-F864 PolarHBondContact O-N 3.4Å; A861-F864 VanDerWaalsContact O-N 3.17Å; W862-F864 VanDerWaalsContact C-N 3.34Å; F864-R866 VanDerWaalsContact C-N 3.3Å; F864-R866 PolarHBondContact O-N 3.32Å; F864-A867 PolarHBondContact O-N 2.91Å; F864-H868 AromaticContact CD2-CD2 3.53Å; F864-H868 AromaticContact CE2-CD2 3.51Å; F864-H868 PolarHBondContact O-CD2 3Å; F864-H868 PolarHBondContact O-N 3.49Å; F864-V872 HydrophobicContact CE1-CG1 3.92Å
865	I	96.4	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-35.9	-179.4	68	163.8	0	0	0	111.9	V848 A861 W862 A867 H868 W869 V872 L880 V884	V848-I865 HydrophobicContact CG1-CG2 3.76Å; A861-I865 PolarHBondContact O-N 3.17Å; W862-I865 HydrophobicContact CE3-CD1 3.76Å; W862-I865 HydrophobicContact CE3-CG1 3.95Å; W862-I865 HydrophobicContact CZ3-CD1 3.86Å; W862-I865 HydrophobicContact CZ3-CG1 4.33Å; I865-A867 PolarHBondContact O-N 2.91Å; I865-H868 PolarHBondContact O-N 3.42Å; I865-W869 WeakPolarHBondContact O-CA 3.37Å; I865-W869 WeakPolarHBondContact O-CB 3.32Å; I865-W869 PolarHBondContact O-N 3.4Å; I865-V872 HydrophobicContact CB-CG2 4.29Å; I865-V872 HydrophobicContact CG2-CG2 4.33Å; I865-L880 HydrophobicContact CG2-CD1 4.03Å; I865-L880 HydrophobicContact CG2-CD2 4.05Å; I865-L880 HydrophobicContact CG2-CG 4.18Å; I865-V884 HydrophobicContact CD1-CB 3.93Å; I865-V884 HydrophobicContact CD1-CG1 3.8Å; I865-V884 HydrophobicContact CD1-CG2 4.12Å; I865-V884 HydrophobicContact CG1-CG1 4.27Å; I865-V884 HydrophobicContact CG2-CG2 4.3Å
866	R	95.8	Very high	92.7	Very high	85 Å²	85	43.6 Å²	43.6	32%	0.321	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-29.3	175.1	-70.9	-168.2	-65.5	-179.2	-3	112.8	W862 N863 F864 E896 F900	W862-R866 HydrophobicContact CD2-CG 4.32Å; W862-R866 HydrophobicContact CE3-CG 4.34Å; W862-R866 HydrophobicContact CH2-CG 4.22Å; W862-R866 HydrophobicContact CZ2-CG 4.2Å; W862-R866 HydrophobicContact CZ3-CG 4.29Å; W862-R866 VanDerWaalsContact NE1-CZ 3.3Å; W862-R866 WeakPolarHBondContact O-CG 3.45Å; W862-R866 PolarHBondContact O-N 3Å; N863-R866 PolarHBondContact OD1-NH2 2.98Å; F864-R866 VanDerWaalsContact C-N 3.3Å; F864-R866 PolarHBondContact O-N 3.32Å; R866-E896 IonicContact CZ-OE1 2.81Å; R866-E896 IonicContact NH1-OE1 2.69Å; R866-E896 PolarHBondContact NH1-OE1 3.43Å; R866-E896 IonicContact NH2-OE1 3.55Å; R866-E896 PolarHBondContact NH2-OE1 3.31Å; R866-F900 HydrophobicContact CB-CD2 4.48Å; R866-F900 HydrophobicContact CB-CE2 4.5Å; R866-F900 HydrophobicContact CG-CD2 3.71Å; R866-F900 HydrophobicContact CG-CE2 4Å; R866-F900 HydrophobicContact CG-CG 4.27Å
867	A	96.6	Very high	92.2	Very high	70 Å²	70	42.6 Å²	42.6	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-85.2	-22.4	179.7	0	0	0	0	0	113.4	N863 F864 I865	N863-A867 PolarHBondContact O-N 3.24Å; F864-A867 PolarHBondContact O-N 2.91Å; I865-A867 PolarHBondContact O-N 2.91Å
868	H	95.6	Very high	91.6	Very high	75 Å²	75	44 Å²	44	35%	0.347	25%	0.25	S	C	.	.	H	α-helix	trans	-130.5	23.2	-170.2	-61.3	-66	0	0	0	113.6	L834 F864 I865 D870 Y871 V872	L834-H868 HydrophobicContact CD2-CB 4.12Å; F864-H868 AromaticContact CD2-CD2 3.53Å; F864-H868 AromaticContact CE2-CD2 3.51Å; F864-H868 PolarHBondContact O-CD2 3Å; F864-H868 PolarHBondContact O-N 3.49Å; I865-H868 PolarHBondContact O-N 3.42Å; H868-D870 VanDerWaalsContact C-N 3.33Å; H868-D870 PolarHBondContact O-N 3.28Å; H868-Y871 PolarHBondContact O-N 2.89Å; H868-Y871 VanDerWaalsContact O-N 3.09Å; H868-V872 HydrophobicContact CB-CG1 4.43Å; H868-V872 WeakPolarHBondContact O-CG2 3.2Å; H868-V872 PolarHBondContact O-N 2.84Å; H868-V872 VanDerWaalsContact O-N 3.13Å
869	W	94.1	Very high	91.1	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.045	27%	0.265	C	S	.	.	H	α-helix	trans	-50.7	-48.3	-172.2	-179.3	-107.1	0	0	0	113.2	I865 Y871 V872 S873 A877 L880 V881 F900 T904 E905 M906 A909	I865-W869 WeakPolarHBondContact O-CA 3.37Å; I865-W869 WeakPolarHBondContact O-CB 3.32Å; I865-W869 PolarHBondContact O-N 3.4Å; W869-Y871 PolarHBondContact O-N 3.33Å; W869-V872 HydrophobicContact CE3-CG2 4.23Å; W869-V872 PolarHBondContact O-N 3.24Å; W869-S873 WeakPolarHBondContact O-CB 3.22Å; W869-S873 PolarHBondContact O-N 3.41Å; W869-S873 PolarHBondContact O-OG 2.67Å; W869-A877 HydrophobicContact CH2-CB 3.95Å; W869-A877 HydrophobicContact CZ2-CB 4.23Å; W869-L880 HydrophobicContact CZ3-CD2 4.12Å; W869-V881 HydrophobicContact CH2-CG2 3.54Å; W869-V881 HydrophobicContact CZ3-CG2 3.84Å; W869-F900 HydrophobicContact CD2-CE2 4.49Å; W869-F900 AromaticContact CD2-CZ 3.75Å; W869-F900 HydrophobicContact CD2-CZ 3.75Å; W869-F900 HydrophobicContact CE3-CE1 4.35Å; W869-F900 AromaticContact CE3-CZ 3.6Å; W869-F900 HydrophobicContact CE3-CZ 3.6Å; W869-F900 HydrophobicContact CG-CZ 4.21Å; W869-F900 HydrophobicContact CZ3-CE1 4.34Å; W869-F900 HydrophobicContact CZ3-CZ 4.04Å; W869-T904 HydrophobicContact CB-CG2 4.2Å; W869-T904 HydrophobicContact CD2-CG2 4.24Å; W869-T904 HydrophobicContact CG-CG2 3.58Å; W869-E905 PolarHBondContact NE1-O 3.01Å; W869-E905 VanDerWaalsContact NE1-O 3.11Å; W869-M906 HydrophobicContact CH2-SD 4.44Å; W869-M906 HydrophobicContact CZ2-SD 3.9Å; W869-A909 HydrophobicContact CH2-CB 4.08Å; W869-A909 HydrophobicContact CZ2-CB 4.16Å
870	D	90.3	Very high	91	Very high	133 Å²	133	43.2 Å²	43.2	71%	0.711	24%	0.24	S	C	*	.	H	α-helix	trans	-54.9	-30.6	-177	-57.5	-12.1	0	0	0	113.5	H868 Q874	H868-D870 VanDerWaalsContact C-N 3.33Å; H868-D870 PolarHBondContact O-N 3.28Å; D870-Q874 WeakPolarHBondContact O-CG 3.42Å; D870-Q874 PolarHBondContact O-NE2 2.94Å
871	Y	89.4	Confident	90.7	Very high	68 Å²	68	41.7 Å²	41.7	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-89.5	-49	177.4	177.4	-91.5	0	0	0	112.1	T833 L834 L841 V844 H868 W869 S873 Q874	T833-Y871 VanDerWaalsContact O-CE1 3.24Å; T833-Y871 WeakPolarHBondContact O-CE1 3.31Å; T833-Y871 PolarHBondContact O-OH 2.81Å; L834-Y871 HydrophobicContact CD2-CD1 3.64Å; L834-Y871 HydrophobicContact CD2-CE1 4.04Å; L834-Y871 HydrophobicContact CD2-CG 4.36Å; L841-Y871 HydrophobicContact CD1-CE1 4.29Å; L841-Y871 HydrophobicContact CD1-CE2 4.43Å; V844-Y871 HydrophobicContact CG2-CE1 4.36Å; H868-Y871 PolarHBondContact O-N 2.89Å; H868-Y871 VanDerWaalsContact O-N 3.09Å; W869-Y871 PolarHBondContact O-N 3.33Å; Y871-S873 PolarHBondContact O-N 3.49Å; Y871-Q874 WeakPolarHBondContact O-CB 3.42Å; Y871-Q874 WeakPolarHBondContact O-CG 3.33Å; Y871-Q874 PolarHBondContact O-N 3.14Å
872	V	89.8	Confident	90.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-71.8	-21.1	-174.9	-59.3	0	0	0	0	112.9	V844 F864 I865 H868 W869 Q874 L880	V844-V872 HydrophobicContact CG1-CB 4.32Å; V844-V872 HydrophobicContact CG1-CG1 4.04Å; F864-V872 HydrophobicContact CE1-CG1 3.92Å; I865-V872 HydrophobicContact CB-CG2 4.29Å; I865-V872 HydrophobicContact CG2-CG2 4.33Å; H868-V872 HydrophobicContact CB-CG1 4.43Å; H868-V872 WeakPolarHBondContact O-CG2 3.2Å; H868-V872 PolarHBondContact O-N 2.84Å; H868-V872 VanDerWaalsContact O-N 3.13Å; W869-V872 HydrophobicContact CE3-CG2 4.23Å; W869-V872 PolarHBondContact O-N 3.24Å; V872-Q874 VanDerWaalsContact C-N 3.27Å; V872-Q874 PolarHBondContact O-N 2.86Å; V872-L880 HydrophobicContact CB-CD2 3.71Å; V872-L880 HydrophobicContact CG2-CD2 3.44Å; V872-L880 VanDerWaalsContact CG2-CD2 3.44Å
873	S	86.1	Confident	90.2	Very high	23 Å²	23	45.8 Å²	45.8	16%	0.161	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.3	175.2	61.8	0	0	0	0	114.2	W869 Y871 G875	W869-S873 WeakPolarHBondContact O-CB 3.22Å; W869-S873 PolarHBondContact O-N 3.41Å; W869-S873 PolarHBondContact O-OG 2.67Å; Y871-S873 PolarHBondContact O-N 3.49Å; S873-G875 VanDerWaalsContact C-N 3.27Å
874	Q	81.1	Confident	90.1	Very high	99 Å²	99	41.8 Å²	41.8	46%	0.463	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.1	174.5	-59	-60	-34.1	0	0	112.7	Y179 L841 D870 Y871 V872	Y179-Q874 HydrophobicContact CE1-CG 4.48Å; L841-Q874 HydrophobicContact CD1-CB 4.47Å; L841-Q874 HydrophobicContact CD2-CB 4.41Å; D870-Q874 WeakPolarHBondContact O-CG 3.42Å; D870-Q874 PolarHBondContact O-NE2 2.94Å; Y871-Q874 WeakPolarHBondContact O-CB 3.42Å; Y871-Q874 WeakPolarHBondContact O-CG 3.33Å; Y871-Q874 PolarHBondContact O-N 3.14Å; V872-Q874 VanDerWaalsContact C-N 3.27Å; V872-Q874 PolarHBondContact O-N 2.86Å
875	G	75.5	Confident	90	Very high	31 Å²	31	41 Å²	41	32%	0.32	23%	0.233	S	C	.	.	S	Bend	trans	-86.3	-147.3	167.5	0	0	0	0	0	111.3	S873 A877	S873-G875 VanDerWaalsContact C-N 3.27Å; G875-A877 PolarHBondContact O-N 2.92Å
876	D	80.1	Confident	89.9	Confident	72 Å²	72	45.4 Å²	45.4	39%	0.385	25%	0.25	S	C	.	.			trans	-75	89.8	174	-176.7	-8.8	0	0	0	111.1	T845 A878 S879 L880	T845-D876 HydrophobicContact CG2-CB 4.35Å; T845-D876 WeakPolarHBondContact CG2-O 3.47Å; T845-D876 PolarHBondContact OG1-O 3.05Å; D876-A878 VanDerWaalsContact C-N 3.31Å; D876-A878 PolarHBondContact O-N 3.48Å; D876-A878 PolarHBondContact OD1-N 2.88Å; D876-A878 VanDerWaalsContact OD1-N 3.14Å; D876-S879 WeakPolarHBondContact OD1-CB 3.08Å; D876-S879 PolarHBondContact OD1-N 2.83Å; D876-S879 WeakPolarHBondContact OD2-CB 3.42Å; D876-L880 WeakPolarHBondContact O-CB 3.18Å; D876-L880 PolarHBondContact O-N 2.81Å; D876-L880 VanDerWaalsContact O-N 3.1Å
877	A	85.3	Confident	89.9	Confident	13 Å²	13	42 Å²	42	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-31.3	179.4	0	0	0	0	0	112.9	W869 G875 V881 A909	W869-A877 HydrophobicContact CH2-CB 3.95Å; W869-A877 HydrophobicContact CZ2-CB 4.23Å; G875-A877 PolarHBondContact O-N 2.92Å; A877-V881 WeakPolarHBondContact O-CG2 3.45Å; A877-V881 PolarHBondContact O-N 3.23Å; A877-V881 VanDerWaalsContact O-N 3.12Å; A877-A909 HydrophobicContact CB-CB 3.85Å
878	A	84.6	Confident	89.9	Confident	31 Å²	31	38.9 Å²	38.9	26%	0.256	21%	0.21	S	C	.	.	H	α-helix	trans	-69	-50.5	-179.7	0	0	0	0	0	110.6	D876 L880 V881 M882 A912	D876-A878 VanDerWaalsContact C-N 3.31Å; D876-A878 PolarHBondContact O-N 3.48Å; D876-A878 PolarHBondContact OD1-N 2.88Å; D876-A878 VanDerWaalsContact OD1-N 3.14Å; A878-L880 VanDerWaalsContact C-N 3.28Å; A878-L880 PolarHBondContact O-N 3.08Å; A878-V881 PolarHBondContact O-N 3.45Å; A878-M882 WeakPolarHBondContact O-CG 3.33Å; A878-M882 PolarHBondContact O-N 3.22Å; A878-A912 HydrophobicContact CB-CB 3.74Å
879	S	87.4	Confident	90	Very high	48 Å²	48	35.9 Å²	35.9	34%	0.336	20%	0.198	S	C	.	.	H	α-helix	trans	-61.7	-35.4	174.5	177.7	0	0	0	0	112.3	N849 D876 M882 G883	N849-S879 PolarHBondContact ND2-O 2.88Å; N849-S879 PolarHBondContact ND2-OG 3.06Å; D876-S879 WeakPolarHBondContact OD1-CB 3.08Å; D876-S879 PolarHBondContact OD1-N 2.83Å; D876-S879 WeakPolarHBondContact OD2-CB 3.42Å; S879-M882 PolarHBondContact O-N 2.77Å; S879-G883 PolarHBondContact O-N 3.12Å
880	L	92.1	Very high	90.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-47.3	175.5	-174.5	62	0	0	0	112.2	T845 V848 N849 I865 W869 V872 D876 A878 V884	T845-L880 HydrophobicContact CG2-CB 3.95Å; T845-L880 HydrophobicContact CG2-CD1 4.41Å; V848-L880 HydrophobicContact CB-CD1 3.81Å; V848-L880 HydrophobicContact CG1-CD1 3.65Å; N849-L880 PolarHBondContact OD1-O 3.46Å; I865-L880 HydrophobicContact CG2-CD1 4.03Å; I865-L880 HydrophobicContact CG2-CD2 4.05Å; I865-L880 HydrophobicContact CG2-CG 4.18Å; W869-L880 HydrophobicContact CZ3-CD2 4.12Å; V872-L880 HydrophobicContact CB-CD2 3.71Å; V872-L880 HydrophobicContact CG2-CD2 3.44Å; V872-L880 VanDerWaalsContact CG2-CD2 3.44Å; D876-L880 WeakPolarHBondContact O-CB 3.18Å; D876-L880 PolarHBondContact O-N 2.81Å; D876-L880 VanDerWaalsContact O-N 3.1Å; A878-L880 VanDerWaalsContact C-N 3.28Å; A878-L880 PolarHBondContact O-N 3.08Å; L880-V884 HydrophobicContact CD1-CG2 4.05Å; L880-V884 WeakPolarHBondContact O-CB 3.2Å; L880-V884 WeakPolarHBondContact O-CG2 3.36Å; L880-V884 PolarHBondContact O-N 2.78Å
881	V	93.9	Very high	90.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-47.2	178.1	171.6	0	0	0	0	110.6	W869 A877 A878 G883 T885 A909 A916	W869-V881 HydrophobicContact CH2-CG2 3.54Å; W869-V881 HydrophobicContact CZ3-CG2 3.84Å; A877-V881 WeakPolarHBondContact O-CG2 3.45Å; A877-V881 PolarHBondContact O-N 3.23Å; A877-V881 VanDerWaalsContact O-N 3.12Å; A878-V881 PolarHBondContact O-N 3.45Å; V881-G883 PolarHBondContact O-N 2.92Å; V881-T885 HydrophobicContact CG1-CG2 4.36Å; V881-T885 WeakPolarHBondContact O-CB 3.45Å; V881-T885 VanDerWaalsContact O-CG2 3.23Å; V881-T885 WeakPolarHBondContact O-CG2 3.25Å; V881-T885 PolarHBondContact O-N 2.58Å; V881-T885 VanDerWaalsContact O-N 3.07Å; V881-T885 PolarHBondContact O-OG1 2.87Å; V881-A909 HydrophobicContact CG2-CB 4.29Å; V881-A916 HydrophobicContact CG1-CB 4.2Å
882	M	90.5	Very high	90.8	Very high	78 Å²	78	38.4 Å²	38.4	38%	0.384	22%	0.217	S	C	.	.	H	α-helix	trans	-60.5	-45.7	179.1	-72.7	-64.1	-70.9	0	0	111.8	A878 S879 R886 A912 Q915 A916	A878-M882 WeakPolarHBondContact O-CG 3.33Å; A878-M882 PolarHBondContact O-N 3.22Å; S879-M882 PolarHBondContact O-N 2.77Å; M882-R886 PolarHBondContact O-N 2.82Å; M882-R886 VanDerWaalsContact O-N 3.13Å; M882-A912 HydrophobicContact CG-CB 4.08Å; M882-Q915 HydrophobicContact SD-CB 4.21Å; M882-A916 HydrophobicContact SD-CB 4.24Å
883	G	93.4	Very high	91.2	Very high	17 Å²	17	39.2 Å²	39.2	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-47.3	-179	0	0	0	0	0	113	N849 S879 V881 T885	N849-G883 WeakPolarHBondContact OD1-CA 3.39Å; S879-G883 PolarHBondContact O-N 3.12Å; V881-G883 PolarHBondContact O-N 2.92Å; G883-T885 VanDerWaalsContact C-N 3.33Å; G883-T885 PolarHBondContact O-N 3.23Å
884	V	96.5	Very high	91.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.9	-24.6	-177.5	178.1	0	0	0	0	112.6	V848 A852 Q858 A861 W862 I865 L880	V848-V884 HydrophobicContact CG1-CG2 3.96Å; A852-V884 HydrophobicContact CB-CB 4.38Å; A852-V884 HydrophobicContact CB-CG2 3.97Å; Q858-V884 PolarHBondContact NE2-O 2.83Å; A861-V884 HydrophobicContact CB-CG1 4.46Å; A861-V884 HydrophobicContact CB-CG2 4.47Å; W862-V884 HydrophobicContact CB-CG1 3.91Å; W862-V884 HydrophobicContact CE3-CG1 3.84Å; I865-V884 HydrophobicContact CD1-CB 3.93Å; I865-V884 HydrophobicContact CD1-CG1 3.8Å; I865-V884 HydrophobicContact CD1-CG2 4.12Å; I865-V884 HydrophobicContact CG1-CG1 4.27Å; I865-V884 HydrophobicContact CG2-CG2 4.3Å; L880-V884 HydrophobicContact CD1-CG2 4.05Å; L880-V884 WeakPolarHBondContact O-CB 3.2Å; L880-V884 WeakPolarHBondContact O-CG2 3.36Å; L880-V884 PolarHBondContact O-N 2.78Å
885	T	96.3	Very high	92.6	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-97.4	-5.6	-179.6	63.4	0	0	0	0	113.8	W862 V881 G883 R887 F888 L897 A916	W862-T885 HydrophobicContact CZ3-CG2 4.13Å; V881-T885 HydrophobicContact CG1-CG2 4.36Å; V881-T885 WeakPolarHBondContact O-CB 3.45Å; V881-T885 VanDerWaalsContact O-CG2 3.23Å; V881-T885 WeakPolarHBondContact O-CG2 3.25Å; V881-T885 PolarHBondContact O-N 2.58Å; V881-T885 VanDerWaalsContact O-N 3.07Å; V881-T885 PolarHBondContact O-OG1 2.87Å; G883-T885 VanDerWaalsContact C-N 3.33Å; G883-T885 PolarHBondContact O-N 3.23Å; T885-R887 PolarHBondContact O-N 2.82Å; T885-F888 HydrophobicContact CG2-CD2 3.98Å; T885-F888 HydrophobicContact CG2-CE2 3.62Å; T885-F888 HydrophobicContact CG2-CZ 4.21Å; T885-F888 VanDerWaalsContact O-CB 3.31Å; T885-F888 WeakPolarHBondContact O-CB 3.12Å; T885-F888 WeakPolarHBondContact O-CG 3.4Å; T885-F888 PolarHBondContact O-N 2.97Å; T885-L897 HydrophobicContact CG2-CD1 3.82Å; T885-L897 HydrophobicContact CG2-CD2 4.19Å; T885-A916 WeakPolarHBondContact OG1-CB 3.47Å
886	R	93.9	Very high	93.6	Very high	93 Å²	93	39.8 Å²	39.8	35%	0.351	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.6	-175.4	-159.6	179.2	178.8	-152.8	-4.9	114.6	E689 L693 M882	E689-R886 VanDerWaalsContact CD-NH2 3.26Å; E689-R886 IonicContact OE1-CZ 3.65Å; E689-R886 IonicContact OE1-NH1 3.8Å; E689-R886 PolarHBondContact OE1-NH1 3.27Å; E689-R886 IonicContact OE1-NH2 3.49Å; E689-R886 PolarHBondContact OE1-NH2 3.01Å; E689-R886 IonicContact OE2-CZ 3.68Å; E689-R886 IonicContact OE2-NH1 3.19Å; E689-R886 IonicContact OE2-NH2 2.64Å; E689-R886 PolarHBondContact OE2-NH2 2.86Å; L693-R886 HydrophobicContact CD1-CG 4.02Å; M882-R886 PolarHBondContact O-N 2.82Å; M882-R886 VanDerWaalsContact O-N 3.13Å
887	R	95.3	Very high	94.5	Very high	14 Å²	14	36.4 Å²	36.4	5%	0.053	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.7	179.2	-81	-168.9	169.4	76.8	6.3	115.5	L693 D696 R697 A852 Q853 Q858 T885 S889	L693-R887 HydrophobicContact CB-CG 4.29Å; L693-R887 HydrophobicContact CD2-CG 3.58Å; D696-R887 IonicContact OD1-NE 3.79Å; D696-R887 IonicContact OD2-CZ 3.04Å; D696-R887 IonicContact OD2-NE 2.85Å; D696-R887 PolarHBondContact OD2-NE 2.88Å; D696-R887 IonicContact OD2-NH2 3.72Å; D696-R887 PolarHBondContact OD2-NH2 3.3Å; R697-R887 PolarHBondContact NH2-O 3.46Å; R697-R887 VanDerWaalsContact NH2-O 3.14Å; A852-R887 PolarHBondContact O-NH1 3.4Å; Q853-R887 PolarHBondContact O-NH1 3.46Å; Q853-R887 PolarHBondContact O-NH2 3.32Å; Q858-R887 HydrophobicContact CG-CB 4.28Å; T885-R887 PolarHBondContact O-N 2.82Å; R887-S889 PolarHBondContact O-N 2.88Å
888	F	97.3	Very high	95	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	20%	0.202	C	C	.	.			trans	-67.9	125	-172	-70.2	-2.7	0	0	0	110.8	W862 T885 E893 L897 T920 N923	W862-F888 HydrophobicContact CD2-CE2 4.32Å; W862-F888 AromaticContact CD2-CZ 3.66Å; W862-F888 HydrophobicContact CD2-CZ 3.66Å; W862-F888 AromaticContact CE2-CZ 3.76Å; W862-F888 HydrophobicContact CE3-CE2 4.49Å; W862-F888 HydrophobicContact CE3-CZ 4.06Å; W862-F888 AromaticContact CG-CZ 3.86Å; W862-F888 HydrophobicContact CG-CZ 3.86Å; W862-F888 HydrophobicContact CH2-CE2 4.37Å; W862-F888 HydrophobicContact CZ2-CE2 4.17Å; W862-F888 HydrophobicContact CZ2-CZ 4.26Å; W862-F888 AromaticContact NE1-CZ 3.96Å; T885-F888 HydrophobicContact CG2-CD2 3.98Å; T885-F888 HydrophobicContact CG2-CE2 3.62Å; T885-F888 HydrophobicContact CG2-CZ 4.21Å; T885-F888 VanDerWaalsContact O-CB 3.31Å; T885-F888 WeakPolarHBondContact O-CB 3.12Å; T885-F888 WeakPolarHBondContact O-CG 3.4Å; T885-F888 PolarHBondContact O-N 2.97Å; F888-E893 HydrophobicContact CB-CB 3.93Å; F888-E893 HydrophobicContact CD1-CB 3.93Å; F888-E893 HydrophobicContact CD1-CG 3.89Å; F888-E893 HydrophobicContact CD2-CB 3.98Å; F888-E893 HydrophobicContact CE1-CB 4.42Å; F888-E893 HydrophobicContact CE1-CG 4.22Å; F888-E893 HydrophobicContact CE2-CB 4.45Å; F888-E893 HydrophobicContact CG-CB 3.7Å; F888-E893 HydrophobicContact CG-CG 4.2Å; F888-L897 HydrophobicContact CD2-CB 4.36Å; F888-L897 HydrophobicContact CD2-CD2 4.32Å; F888-L897 HydrophobicContact CE2-CB 4.23Å; F888-T920 HydrophobicContact CB-CG2 3.73Å; F888-N923 VanDerWaalsContact O-CB 3.29Å; F888-N923 WeakPolarHBondContact O-CB 3.3Å; F888-N923 PolarHBondContact O-ND2 2.82Å
889	S	96.4	Very high	95.6	Very high	13 Å²	13	43.9 Å²	43.9	9%	0.091	22%	0.217	C	C	.	.			trans	-148.8	11.2	-173.6	64.7	0	0	0	0	113	R887 E893 I924	R887-S889 PolarHBondContact O-N 2.88Å; S889-E893 PolarHBondContact N-OE2 3.16Å; S889-I924 VanDerWaalsContact C-CG1 3.4Å; S889-I924 WeakPolarHBondContact O-CA 3.21Å; S889-I924 VanDerWaalsContact O-CG1 3.26Å; S889-I924 WeakPolarHBondContact O-CG1 3.38Å
890	T	96.8	Very high	96	Very high	53 Å²	53	42.1 Å²	42.1	33%	0.325	20%	0.204	S	C	.	.	S	Bend	trans	-120.7	150.9	179	68.3	0	0	0	0	112.8	F892 E893 L894	T890-F892 PolarHBondContact O-N 2.9Å; T890-F892 VanDerWaalsContact O-N 3.12Å; T890-E893 WeakPolarHBondContact CB-OE2 3.37Å; T890-E893 PolarHBondContact N-OE2 3.27Å; T890-E893 PolarHBondContact O-N 2.75Å; T890-E893 VanDerWaalsContact OG1-CD 3.29Å; T890-E893 VanDerWaalsContact OG1-CG 3.29Å; T890-E893 WeakPolarHBondContact OG1-CG 3.19Å; T890-E893 PolarHBondContact OG1-N 3.09Å; T890-E893 PolarHBondContact OG1-OE2 3.36Å; T890-L894 PolarHBondContact O-N 3.47Å; T890-L894 VanDerWaalsContact O-N 3.12Å
891	P	97.7	Very high	96.1	Very high	80 Å²	80	45.2 Å²	45.2	52%	0.519	22%	0.215	S	C	.	.	H	α-helix	trans	-57.7	-25.7	174.1	-26.6	35.1	0	0	0	114.2	Q895 I924	P891-Q895 WeakPolarHBondContact O-CG 3.18Å; P891-Q895 PolarHBondContact O-N 3.27Å; P891-I924 HydrophobicContact CG-CG2 4.3Å
892	F	97.7	Very high	96.1	Very high	133 Å²	133	49.9 Å²	49.9	58%	0.583	24%	0.24	S	C	*	.	H	α-helix	trans	-72	-50.4	177.4	-179.7	-96.6	0	0	0	111.4	T890 L894 Q895 E896	T890-F892 PolarHBondContact O-N 2.9Å; T890-F892 VanDerWaalsContact O-N 3.12Å; F892-L894 VanDerWaalsContact C-N 3.29Å; F892-L894 PolarHBondContact O-N 2.91Å; F892-Q895 PolarHBondContact O-N 2.83Å; F892-Q895 VanDerWaalsContact O-N 3.13Å; F892-E896 HydrophobicContact CD1-CG 4.41Å; F892-E896 HydrophobicContact CE1-CG 3.99Å; F892-E896 WeakPolarHBondContact CE1-OE2 3.36Å; F892-E896 HydrophobicContact CZ-CG 4.21Å; F892-E896 PolarHBondContact O-N 2.92Å
893	E	97.9	Very high	96.1	Very high	17 Å²	17	52.6 Å²	52.6	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-40.8	176.4	-71.4	161.7	146.8	0	0	111.1	R697 F888 S889 T890 Q895 E896 L897	R697-E893 IonicContact CZ-OE1 2.72Å; R697-E893 IonicContact NH1-OE1 3.26Å; R697-E893 PolarHBondContact NH1-OE1 3.26Å; R697-E893 IonicContact NH2-OE1 3.95Å; R697-E893 PolarHBondContact NH2-OE1 3.05Å; F888-E893 HydrophobicContact CB-CB 3.93Å; F888-E893 HydrophobicContact CD1-CB 3.93Å; F888-E893 HydrophobicContact CD1-CG 3.89Å; F888-E893 HydrophobicContact CD2-CB 3.98Å; F888-E893 HydrophobicContact CE1-CB 4.42Å; F888-E893 HydrophobicContact CE1-CG 4.22Å; F888-E893 HydrophobicContact CE2-CB 4.45Å; F888-E893 HydrophobicContact CG-CB 3.7Å; F888-E893 HydrophobicContact CG-CG 4.2Å; S889-E893 PolarHBondContact N-OE2 3.16Å; T890-E893 WeakPolarHBondContact CB-OE2 3.37Å; T890-E893 PolarHBondContact N-OE2 3.27Å; T890-E893 PolarHBondContact O-N 2.75Å; T890-E893 VanDerWaalsContact OG1-CD 3.29Å; T890-E893 VanDerWaalsContact OG1-CG 3.29Å; T890-E893 WeakPolarHBondContact OG1-CG 3.19Å; T890-E893 PolarHBondContact OG1-N 3.09Å; T890-E893 PolarHBondContact OG1-OE2 3.36Å; E893-Q895 VanDerWaalsContact C-N 3.35Å; E893-Q895 PolarHBondContact O-N 2.97Å; E893-E896 PolarHBondContact O-N 2.75Å; E893-E896 VanDerWaalsContact O-N 3.16Å; E893-L897 PolarHBondContact O-N 3.47Å
894	L	98.1	Very high	96	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-44.5	174.8	178.8	60.7	0	0	0	112.5	T890 F892 E896 L897 I898 I917 T920 Q921 I924	T890-L894 PolarHBondContact O-N 3.47Å; T890-L894 VanDerWaalsContact O-N 3.12Å; F892-L894 VanDerWaalsContact C-N 3.29Å; F892-L894 PolarHBondContact O-N 2.91Å; L894-E896 VanDerWaalsContact C-N 3.32Å; L894-L897 PolarHBondContact O-N 2.83Å; L894-I898 HydrophobicContact CD1-CD1 4.02Å; L894-I898 HydrophobicContact CD1-CG1 4.36Å; L894-I898 HydrophobicContact CG-CD1 3.99Å; L894-I898 WeakPolarHBondContact O-CG1 3.46Å; L894-I898 PolarHBondContact O-N 2.81Å; L894-I917 HydrophobicContact CD1-CG2 4.09Å; L894-T920 HydrophobicContact CB-CG2 3.78Å; L894-T920 HydrophobicContact CD1-CG2 3.98Å; L894-T920 HydrophobicContact CG-CG2 4.42Å; L894-Q921 HydrophobicContact CD1-CG 4.12Å; L894-Q921 HydrophobicContact CD2-CG 3.81Å; L894-I924 HydrophobicContact CB-CD1 3.93Å; L894-I924 HydrophobicContact CD2-CD1 3.83Å; L894-I924 HydrophobicContact CG-CD1 4.48Å
895	Q	98	Very high	95.5	Very high	105 Å²	105	60.9 Å²	60.9	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-35.9	177.7	-74.4	178.9	20.1	0	0	112	P891 F892 E893 R899	P891-Q895 WeakPolarHBondContact O-CG 3.18Å; P891-Q895 PolarHBondContact O-N 3.27Å; F892-Q895 PolarHBondContact O-N 2.83Å; F892-Q895 VanDerWaalsContact O-N 3.13Å; E893-Q895 VanDerWaalsContact C-N 3.35Å; E893-Q895 PolarHBondContact O-N 2.97Å; Q895-R899 WeakPolarHBondContact O-CB 3.44Å; Q895-R899 VanDerWaalsContact O-CG 3.27Å; Q895-R899 WeakPolarHBondContact O-CG 3.26Å; Q895-R899 PolarHBondContact O-N 3.33Å
896	E	97.4	Very high	94.8	Very high	36 Å²	36	61 Å²	61	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-43.1	174.3	-69.5	-161.6	103.2	0	0	112	W862 R866 F892 E893 L894 R899 F900	W862-E896 HydrophobicContact CZ2-CB 4.17Å; R866-E896 IonicContact CZ-OE1 2.81Å; R866-E896 IonicContact NH1-OE1 2.69Å; R866-E896 PolarHBondContact NH1-OE1 3.43Å; R866-E896 IonicContact NH2-OE1 3.55Å; R866-E896 PolarHBondContact NH2-OE1 3.31Å; F892-E896 HydrophobicContact CD1-CG 4.41Å; F892-E896 HydrophobicContact CE1-CG 3.99Å; F892-E896 WeakPolarHBondContact CE1-OE2 3.36Å; F892-E896 HydrophobicContact CZ-CG 4.21Å; F892-E896 PolarHBondContact O-N 2.92Å; E893-E896 PolarHBondContact O-N 2.75Å; E893-E896 VanDerWaalsContact O-N 3.16Å; L894-E896 VanDerWaalsContact C-N 3.32Å; E896-R899 PolarHBondContact O-N 2.83Å; E896-F900 WeakPolarHBondContact O-CB 3.48Å; E896-F900 PolarHBondContact O-N 3.11Å
897	L	97.6	Very high	94.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-44.3	177.9	-179.6	55.5	0	0	0	112	W862 T885 F888 E893 L894 R899 F900 R901 T913 A916 I917	W862-L897 HydrophobicContact CH2-CD1 3.95Å; W862-L897 HydrophobicContact CZ3-CD1 4.49Å; T885-L897 HydrophobicContact CG2-CD1 3.82Å; T885-L897 HydrophobicContact CG2-CD2 4.19Å; F888-L897 HydrophobicContact CD2-CB 4.36Å; F888-L897 HydrophobicContact CD2-CD2 4.32Å; F888-L897 HydrophobicContact CE2-CB 4.23Å; E893-L897 PolarHBondContact O-N 3.47Å; L894-L897 PolarHBondContact O-N 2.83Å; L897-R899 VanDerWaalsContact C-N 3.32Å; L897-R899 PolarHBondContact O-N 2.79Å; L897-F900 HydrophobicContact CD1-CD1 4.45Å; L897-F900 WeakPolarHBondContact O-CB 3.46Å; L897-F900 PolarHBondContact O-N 2.85Å; L897-R901 PolarHBondContact O-N 2.92Å; L897-T913 HydrophobicContact CD1-CG2 4.42Å; L897-A916 HydrophobicContact CD2-CB 3.89Å; L897-I917 HydrophobicContact CD2-CG1 3.77Å; L897-I917 HydrophobicContact CG-CG1 3.87Å
898	I	97.3	Very high	92.8	Very high	50 Å²	50	65.3 Å²	65.3	26%	0.256	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-44.2	175.4	-70.2	167.7	0	0	0	110.6	L894 F900 R901 D902 I917	L894-I898 HydrophobicContact CD1-CD1 4.02Å; L894-I898 HydrophobicContact CD1-CG1 4.36Å; L894-I898 HydrophobicContact CG-CD1 3.99Å; L894-I898 WeakPolarHBondContact O-CG1 3.46Å; L894-I898 PolarHBondContact O-N 2.81Å; I898-F900 VanDerWaalsContact C-N 3.32Å; I898-F900 PolarHBondContact O-N 2.84Å; I898-R901 WeakPolarHBondContact O-CB 3.37Å; I898-R901 PolarHBondContact O-N 2.93Å; I898-D902 PolarHBondContact O-N 3.37Å; I898-I917 HydrophobicContact CG1-CD1 4.12Å; I898-I917 HydrophobicContact CG1-CG1 4.34Å
899	R	96.6	Very high	92.1	Very high	151 Å²	151	65.1 Å²	65.1	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-65	-35.9	176.4	-75	175.2	-175	169.6	6.4	112.5	Q895 E896 L897 D902 N903	Q895-R899 WeakPolarHBondContact O-CB 3.44Å; Q895-R899 VanDerWaalsContact O-CG 3.27Å; Q895-R899 WeakPolarHBondContact O-CG 3.26Å; Q895-R899 PolarHBondContact O-N 3.33Å; E896-R899 PolarHBondContact O-N 2.83Å; L897-R899 VanDerWaalsContact C-N 3.32Å; L897-R899 PolarHBondContact O-N 2.79Å; R899-D902 PolarHBondContact O-N 2.85Å; R899-N903 WeakPolarHBondContact O-CB 3.41Å; R899-N903 PolarHBondContact O-N 3.31Å; R899-N903 PolarHBondContact O-ND2 2.88Å
900	F	95.6	Very high	91.5	Very high	12 Å²	12	70.7 Å²	70.7	5%	0.053	36%	0.359	C	S	.	.	H	α-helix	trans	-63.4	-47.8	176.4	176.3	-118.3	0	0	0	110.7	W862 R866 W869 E896 L897 I898 D902 N903 T904 M906	W862-F900 HydrophobicContact CH2-CB 3.72Å; W862-F900 AromaticContact CH2-CD1 3.68Å; W862-F900 HydrophobicContact CH2-CD1 3.68Å; W862-F900 HydrophobicContact CH2-CE1 4.48Å; W862-F900 AromaticContact CH2-CG 3.76Å; W862-F900 HydrophobicContact CH2-CG 3.76Å; W862-F900 HydrophobicContact CZ2-CB 4.17Å; W862-F900 HydrophobicContact CZ3-CD1 4.01Å; W862-F900 HydrophobicContact CZ3-CE1 4.39Å; W862-F900 HydrophobicContact CZ3-CG 4.38Å; R866-F900 HydrophobicContact CB-CD2 4.48Å; R866-F900 HydrophobicContact CB-CE2 4.5Å; R866-F900 HydrophobicContact CG-CD2 3.71Å; R866-F900 HydrophobicContact CG-CE2 4Å; R866-F900 HydrophobicContact CG-CG 4.27Å; W869-F900 HydrophobicContact CD2-CE2 4.49Å; W869-F900 AromaticContact CD2-CZ 3.75Å; W869-F900 HydrophobicContact CD2-CZ 3.75Å; W869-F900 HydrophobicContact CE3-CE1 4.35Å; W869-F900 AromaticContact CE3-CZ 3.6Å; W869-F900 HydrophobicContact CE3-CZ 3.6Å; W869-F900 HydrophobicContact CG-CZ 4.21Å; W869-F900 HydrophobicContact CZ3-CE1 4.34Å; W869-F900 HydrophobicContact CZ3-CZ 4.04Å; E896-F900 WeakPolarHBondContact O-CB 3.48Å; E896-F900 PolarHBondContact O-N 3.11Å; L897-F900 HydrophobicContact CD1-CD1 4.45Å; L897-F900 WeakPolarHBondContact O-CB 3.46Å; L897-F900 PolarHBondContact O-N 2.85Å; I898-F900 VanDerWaalsContact C-N 3.32Å; I898-F900 PolarHBondContact O-N 2.84Å; F900-D902 PolarHBondContact O-N 3.49Å; F900-N903 PolarHBondContact O-N 2.87Å; F900-T904 WeakPolarHBondContact CD2-OG1 3.36Å; F900-T904 HydrophobicContact CE2-CG2 4.07Å; F900-T904 WeakPolarHBondContact CE2-OG1 3.33Å; F900-T904 HydrophobicContact CZ-CG2 4.36Å; F900-T904 VanDerWaalsContact O-CB 3.27Å; F900-T904 WeakPolarHBondContact O-CB 3.41Å; F900-T904 PolarHBondContact O-N 2.83Å; F900-T904 PolarHBondContact O-OG1 2.93Å; F900-M906 HydrophobicContact CD1-CE 3.43Å; F900-M906 VanDerWaalsContact CD1-CE 3.43Å; F900-M906 HydrophobicContact CD2-CE 4.33Å; F900-M906 HydrophobicContact CE1-CE 3.34Å; F900-M906 HydrophobicContact CE1-SD 4.13Å; F900-M906 HydrophobicContact CE2-CE 4.24Å; F900-M906 HydrophobicContact CG-CE 3.95Å; F900-M906 HydrophobicContact CZ-CE 3.77Å; F900-M906 WeakPolarHBondContact O-CE 3.43Å
901	R	94.3	Very high	90.6	Very high	64 Å²	64	72.2 Å²	72.2	24%	0.242	36%	0.359	C	S	.	.	H	α-helix	trans	-53.4	-49.4	171.8	-174	-160.1	63.8	-163.2	-3.3	112.7	L897 I898 N903 M906 T913	L897-R901 PolarHBondContact O-N 2.92Å; I898-R901 WeakPolarHBondContact O-CB 3.37Å; I898-R901 PolarHBondContact O-N 2.93Å; R901-N903 VanDerWaalsContact C-N 3.25Å; R901-N903 PolarHBondContact O-N 3.41Å; R901-M906 VanDerWaalsContact CA-CE 3.42Å; R901-M906 HydrophobicContact CB-CE 4.43Å; R901-M906 HydrophobicContact CG-CG 4.46Å; R901-T913 HydrophobicContact CB-CG2 3.76Å; R901-T913 HydrophobicContact CG-CG2 3.82Å
902	D	93.2	Very high	89.9	Confident	98 Å²	98	68.7 Å²	68.7	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-72.2	-18.8	-172.4	-66.6	-12.4	0	0	0	113.5	I898 R899 F900	I898-D902 PolarHBondContact O-N 3.37Å; R899-D902 PolarHBondContact O-N 2.85Å; F900-D902 PolarHBondContact O-N 3.49Å
903	N	91.7	Very high	89.5	Confident	135 Å²	135	62.4 Å²	62.4	72%	0.722	31%	0.309	S	S	*	.	H	α-helix	trans	-110.9	3.3	-175.8	-65.5	-52.3	0	0	0	114.1	R899 F900 R901	R899-N903 WeakPolarHBondContact O-CB 3.41Å; R899-N903 PolarHBondContact O-N 3.31Å; R899-N903 PolarHBondContact O-ND2 2.88Å; F900-N903 PolarHBondContact O-N 2.87Å; R901-N903 VanDerWaalsContact C-N 3.25Å; R901-N903 PolarHBondContact O-N 3.41Å
904	T	90.1	Very high	88.9	Confident	36 Å²	36	64.5 Å²	64.5	22%	0.221	32%	0.321	C	S	.	.	S	Bend	trans	-135.8	139.7	-172.7	-40.6	0	0	0	0	109.9	W869 F900 M906	W869-T904 HydrophobicContact CB-CG2 4.2Å; W869-T904 HydrophobicContact CD2-CG2 4.24Å; W869-T904 HydrophobicContact CG-CG2 3.58Å; F900-T904 WeakPolarHBondContact CD2-OG1 3.36Å; F900-T904 HydrophobicContact CE2-CG2 4.07Å; F900-T904 WeakPolarHBondContact CE2-OG1 3.33Å; F900-T904 HydrophobicContact CZ-CG2 4.36Å; F900-T904 VanDerWaalsContact O-CB 3.27Å; F900-T904 WeakPolarHBondContact O-CB 3.41Å; F900-T904 PolarHBondContact O-N 2.83Å; F900-T904 PolarHBondContact O-OG1 2.93Å; T904-M906 HydrophobicContact CG2-CE 4.18Å; T904-M906 PolarHBondContact O-N 3.3Å
905	E	85.9	Confident	88.2	Confident	155 Å²	155	64.3 Å²	64.3	72%	0.724	32%	0.319	S	S	*	.			trans	-73.4	106.7	172.7	-67.7	-179	177.5	0	0	109.2	W869	W869-E905 PolarHBondContact NE1-O 3.01Å; W869-E905 VanDerWaalsContact NE1-O 3.11Å
906	M	82.3	Confident	87.9	Confident	9 Å²	9	59.4 Å²	59.4	4%	0.044	30%	0.297	C	S	.	.			trans	-80.7	-22.4	-173.8	-69.2	-62.3	160.7	0	0	113.4	W869 F900 R901 T904 G908 A909 Y910	W869-M906 HydrophobicContact CH2-SD 4.44Å; W869-M906 HydrophobicContact CZ2-SD 3.9Å; F900-M906 HydrophobicContact CD1-CE 3.43Å; F900-M906 VanDerWaalsContact CD1-CE 3.43Å; F900-M906 HydrophobicContact CD2-CE 4.33Å; F900-M906 HydrophobicContact CE1-CE 3.34Å; F900-M906 HydrophobicContact CE1-SD 4.13Å; F900-M906 HydrophobicContact CE2-CE 4.24Å; F900-M906 HydrophobicContact CG-CE 3.95Å; F900-M906 HydrophobicContact CZ-CE 3.77Å; F900-M906 WeakPolarHBondContact O-CE 3.43Å; R901-M906 VanDerWaalsContact CA-CE 3.42Å; R901-M906 HydrophobicContact CB-CE 4.43Å; R901-M906 HydrophobicContact CG-CG 4.46Å; T904-M906 HydrophobicContact CG2-CE 4.18Å; T904-M906 PolarHBondContact O-N 3.3Å; M906-G908 PolarHBondContact O-N 2.99Å; M906-A909 WeakPolarHBondContact O-CA 3.13Å; M906-A909 WeakPolarHBondContact O-CB 3.42Å; M906-A909 PolarHBondContact O-N 2.84Å; M906-Y910 HydrophobicContact CB-CD2 4.3Å
907	N	78.1	Confident	87.7	Confident	128 Å²	128	58.4 Å²	58.4	68%	0.684	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	44.6	-124.9	-178.6	-58.7	-28.4	0	0	0	111.1	A909 Y910	N907-A909 PolarHBondContact O-N 3.34Å; N907-A909 VanDerWaalsContact O-N 3.11Å; N907-Y910 PolarHBondContact O-N 3.11Å
908	G	69.8	Low	87.2	Confident	68 Å²	68	59.9 Å²	59.9	70%	0.701	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.1	-17.7	178.1	0	0	0	0	0	115.6	M906	M906-G908 PolarHBondContact O-N 2.99Å
909	A	82.3	Confident	86.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.4	3.3	179.3	0	0	0	0	0	114.2	W869 A877 V881 M906 N907 R911 A912 T913	W869-A909 HydrophobicContact CH2-CB 4.08Å; W869-A909 HydrophobicContact CZ2-CB 4.16Å; A877-A909 HydrophobicContact CB-CB 3.85Å; V881-A909 HydrophobicContact CG2-CB 4.29Å; M906-A909 WeakPolarHBondContact O-CA 3.13Å; M906-A909 WeakPolarHBondContact O-CB 3.42Å; M906-A909 PolarHBondContact O-N 2.84Å; N907-A909 PolarHBondContact O-N 3.34Å; N907-A909 VanDerWaalsContact O-N 3.11Å; A909-R911 PolarHBondContact O-N 3.24Å; A909-A912 PolarHBondContact O-N 2.82Å; A909-T913 WeakPolarHBondContact O-CB 3.19Å; A909-T913 PolarHBondContact O-N 2.91Å; A909-T913 PolarHBondContact O-OG1 2.92Å
910	Y	82.5	Confident	86.7	Confident	130 Å²	130	52.3 Å²	52.3	51%	0.51	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-47.8	-174.6	-175.1	-104.9	0	0	0	112.7	M906 N907 T913 L914	M906-Y910 HydrophobicContact CB-CD2 4.3Å; N907-Y910 PolarHBondContact O-N 3.11Å; Y910-T913 WeakPolarHBondContact O-CB 3.38Å; Y910-T913 PolarHBondContact O-N 3.47Å; Y910-L914 HydrophobicContact CD1-CD1 4.15Å; Y910-L914 HydrophobicContact CE1-CD1 3.66Å; Y910-L914 HydrophobicContact CE1-CG 4.25Å; Y910-L914 WeakPolarHBondContact O-CG 3.34Å; Y910-L914 PolarHBondContact O-N 2.9Å
911	R	77.8	Confident	86.5	Confident	85 Å²	85	56.6 Å²	56.6	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-47.2	177.6	-173.9	178.8	-179.4	-169.7	-2.9	111.5	T445 G464 A909 T913 L914 Q915	T445-R911 PolarHBondContact O-NH2 2.74Å; G464-R911 PolarHBondContact O-NH1 3.27Å; A909-R911 PolarHBondContact O-N 3.24Å; R911-T913 PolarHBondContact O-N 3.16Å; R911-L914 WeakPolarHBondContact O-CA 3.43Å; R911-L914 WeakPolarHBondContact O-CB 3.27Å; R911-L914 PolarHBondContact O-N 3.07Å; R911-Q915 PolarHBondContact O-N 3.34Å
912	A	83	Confident	86.2	Confident	6 Å²	6	54.6 Å²	54.6	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-38.9	175.2	0	0	0	0	0	112.2	A878 M882 A909 L914 Q915 A916	A878-A912 HydrophobicContact CB-CB 3.74Å; M882-A912 HydrophobicContact CG-CB 4.08Å; A909-A912 PolarHBondContact O-N 2.82Å; A912-L914 PolarHBondContact O-N 2.91Å; A912-Q915 PolarHBondContact O-N 3.23Å; A912-A916 WeakPolarHBondContact O-CB 3.44Å; A912-A916 PolarHBondContact O-N 2.95Å
913	T	89.9	Confident	86.2	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-37.5	175.6	-56.4	0	0	0	0	112.1	L897 R901 A909 Y910 R911 I917	L897-T913 HydrophobicContact CD1-CG2 4.42Å; R901-T913 HydrophobicContact CB-CG2 3.76Å; R901-T913 HydrophobicContact CG-CG2 3.82Å; A909-T913 WeakPolarHBondContact O-CB 3.19Å; A909-T913 PolarHBondContact O-N 2.91Å; A909-T913 PolarHBondContact O-OG1 2.92Å; Y910-T913 WeakPolarHBondContact O-CB 3.38Å; Y910-T913 PolarHBondContact O-N 3.47Å; R911-T913 PolarHBondContact O-N 3.16Å; T913-I917 HydrophobicContact CG2-CD1 4.33Å; T913-I917 VanDerWaalsContact O-CG1 3.27Å; T913-I917 WeakPolarHBondContact O-CG1 3.47Å; T913-I917 PolarHBondContact O-N 2.94Å
914	L	86.1	Confident	86.3	Confident	61 Å²	61	45 Å²	45	32%	0.319	23%	0.233	S	C	.	.	H	α-helix	trans	-66.8	-43.3	174.1	-64.9	-180	0	0	0	111.8	Y910 R911 A912 A916 I917 E918	Y910-L914 HydrophobicContact CD1-CD1 4.15Å; Y910-L914 HydrophobicContact CE1-CD1 3.66Å; Y910-L914 HydrophobicContact CE1-CG 4.25Å; Y910-L914 WeakPolarHBondContact O-CG 3.34Å; Y910-L914 PolarHBondContact O-N 2.9Å; R911-L914 WeakPolarHBondContact O-CA 3.43Å; R911-L914 WeakPolarHBondContact O-CB 3.27Å; R911-L914 PolarHBondContact O-N 3.07Å; A912-L914 PolarHBondContact O-N 2.91Å; L914-A916 VanDerWaalsContact C-N 3.35Å; L914-I917 PolarHBondContact O-N 2.86Å; L914-E918 PolarHBondContact O-N 2.84Å
915	Q	82.4	Confident	86.3	Confident	21 Å²	21	46.7 Å²	46.7	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-45.4	174.2	-72.6	169	-43	0	0	110.9	M882 R911 A912 I917 E918 Q919	M882-Q915 HydrophobicContact SD-CB 4.21Å; R911-Q915 PolarHBondContact O-N 3.34Å; A912-Q915 PolarHBondContact O-N 3.23Å; Q915-I917 VanDerWaalsContact C-N 3.3Å; Q915-I917 PolarHBondContact O-N 2.98Å; Q915-E918 PolarHBondContact O-N 3.21Å; Q915-Q919 WeakPolarHBondContact O-CB 3.34Å; Q915-Q919 PolarHBondContact O-N 2.87Å
916	A	91.2	Very high	86.6	Confident	3 Å²	3	39.5 Å²	39.5	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-37.7	176.1	0	0	0	0	0	112.7	V881 M882 T885 L897 A912 L914 T920	V881-A916 HydrophobicContact CG1-CB 4.2Å; M882-A916 HydrophobicContact SD-CB 4.24Å; T885-A916 WeakPolarHBondContact OG1-CB 3.47Å; L897-A916 HydrophobicContact CD2-CB 3.89Å; A912-A916 WeakPolarHBondContact O-CB 3.44Å; A912-A916 PolarHBondContact O-N 2.95Å; L914-A916 VanDerWaalsContact C-N 3.35Å; A916-T920 WeakPolarHBondContact O-CB 3.14Å; A916-T920 PolarHBondContact O-N 3.13Å; A916-T920 PolarHBondContact O-OG1 3.48Å
917	I	93.6	Very high	87.2	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.072	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-48	174.9	-72.1	166.8	0	0	0	111	L894 L897 I898 T913 L914 Q915 T920 Q921	L894-I917 HydrophobicContact CD1-CG2 4.09Å; L897-I917 HydrophobicContact CD2-CG1 3.77Å; L897-I917 HydrophobicContact CG-CG1 3.87Å; I898-I917 HydrophobicContact CG1-CD1 4.12Å; I898-I917 HydrophobicContact CG1-CG1 4.34Å; T913-I917 HydrophobicContact CG2-CD1 4.33Å; T913-I917 VanDerWaalsContact O-CG1 3.27Å; T913-I917 WeakPolarHBondContact O-CG1 3.47Å; T913-I917 PolarHBondContact O-N 2.94Å; L914-I917 PolarHBondContact O-N 2.86Å; Q915-I917 VanDerWaalsContact C-N 3.3Å; Q915-I917 PolarHBondContact O-N 2.98Å; I917-T920 PolarHBondContact O-N 3.18Å; I917-Q921 WeakPolarHBondContact O-CG 3.45Å; I917-Q921 PolarHBondContact O-N 3.15Å; I917-Q921 VanDerWaalsContact O-N 3.1Å
918	E	88.3	Confident	87.9	Confident	32 Å²	32	42 Å²	42	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-48.2	176.5	-176.7	178.8	-175.2	0	0	110.5	T445 L914 Q915 T920 Q921 V922	T445-E918 WeakPolarHBondContact CG2-OE2 3.32Å; T445-E918 PolarHBondContact OG1-OE2 3.01Å; L914-E918 PolarHBondContact O-N 2.84Å; Q915-E918 PolarHBondContact O-N 3.21Å; E918-T920 VanDerWaalsContact C-N 3.34Å; E918-T920 PolarHBondContact O-N 2.82Å; E918-Q921 WeakPolarHBondContact O-CB 3.13Å; E918-Q921 PolarHBondContact O-N 2.86Å; E918-Q921 VanDerWaalsContact O-N 3.12Å; E918-V922 WeakPolarHBondContact O-CG2 3.38Å; E918-V922 PolarHBondContact O-N 2.93Å
919	Q	88.1	Confident	89.1	Confident	40 Å²	40	43.2 Å²	43.2	19%	0.187	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-41.2	179.2	-172.4	58.9	54.8	0	0	111.9	Q915 Q921 V922 N923	Q915-Q919 WeakPolarHBondContact O-CB 3.34Å; Q915-Q919 PolarHBondContact O-N 2.87Å; Q919-Q921 VanDerWaalsContact C-N 3.3Å; Q919-Q921 PolarHBondContact O-N 3.48Å; Q919-V922 PolarHBondContact O-N 3.31Å; Q919-N923 PolarHBondContact NE2-OD1 3.3Å; Q919-N923 WeakPolarHBondContact O-CB 3.2Å; Q919-N923 PolarHBondContact O-N 3.26Å; Q919-N923 PolarHBondContact O-ND2 2.96Å; Q919-N923 PolarHBondContact O-OD1 2.92Å
920	T	94.4	Very high	89.7	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-38.7	175.8	-59.2	0	0	0	0	111.4	F888 L894 A916 I917 E918 N923 I924	F888-T920 HydrophobicContact CB-CG2 3.73Å; L894-T920 HydrophobicContact CB-CG2 3.78Å; L894-T920 HydrophobicContact CD1-CG2 3.98Å; L894-T920 HydrophobicContact CG-CG2 4.42Å; A916-T920 WeakPolarHBondContact O-CB 3.14Å; A916-T920 PolarHBondContact O-N 3.13Å; A916-T920 PolarHBondContact O-OG1 3.48Å; I917-T920 PolarHBondContact O-N 3.18Å; E918-T920 VanDerWaalsContact C-N 3.34Å; E918-T920 PolarHBondContact O-N 2.82Å; T920-N923 PolarHBondContact O-N 3.34Å; T920-I924 HydrophobicContact CG2-CD1 4.08Å; T920-I924 WeakPolarHBondContact O-CD1 3.36Å; T920-I924 VanDerWaalsContact O-CG1 3.25Å; T920-I924 WeakPolarHBondContact O-CG1 3.45Å; T920-I924 PolarHBondContact O-N 2.98Å
921	Q	91.4	Very high	90.3	Very high	101 Å²	101	39.7 Å²	39.7	47%	0.472	19%	0.19	S	C	.	.	H	α-helix	trans	-65.2	-43.7	175.7	-68.9	170	-2.8	0	0	111.8	L894 I917 E918 Q919 N923 I924 Q925	L894-Q921 HydrophobicContact CD1-CG 4.12Å; L894-Q921 HydrophobicContact CD2-CG 3.81Å; I917-Q921 WeakPolarHBondContact O-CG 3.45Å; I917-Q921 PolarHBondContact O-N 3.15Å; I917-Q921 VanDerWaalsContact O-N 3.1Å; E918-Q921 WeakPolarHBondContact O-CB 3.13Å; E918-Q921 PolarHBondContact O-N 2.86Å; E918-Q921 VanDerWaalsContact O-N 3.12Å; Q919-Q921 VanDerWaalsContact C-N 3.3Å; Q919-Q921 PolarHBondContact O-N 3.48Å; Q921-N923 VanDerWaalsContact C-N 3.32Å; Q921-N923 PolarHBondContact O-N 2.85Å; Q921-I924 PolarHBondContact O-N 3.14Å; Q921-Q925 PolarHBondContact O-N 3.21Å; Q921-Q925 VanDerWaalsContact O-N 3.16Å
922	V	87.9	Confident	91.3	Very high	23 Å²	23	40.8 Å²	40.8	14%	0.139	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-44.8	174.5	172.3	0	0	0	0	110.5	E918 Q919 Q925 W926	E918-V922 WeakPolarHBondContact O-CG2 3.38Å; E918-V922 PolarHBondContact O-N 2.93Å; Q919-V922 PolarHBondContact O-N 3.31Å; V922-Q925 PolarHBondContact O-N 3.08Å; V922-W926 WeakPolarHBondContact O-CB 3.4Å; V922-W926 PolarHBondContact O-N 3.28Å
923	N	92.3	Very high	91.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.011	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-46.8	178.9	-69.5	-9.7	0	0	0	112.5	Y690 M694 F888 Q919 T920 Q921 Q925 W926 V927	Y690-N923 VanDerWaalsContact CE2-OD1 3.28Å; Y690-N923 WeakPolarHBondContact CE2-OD1 3.01Å; Y690-N923 PolarHBondContact OH-OD1 3.5Å; M694-N923 HydrophobicContact CE-CB 4.44Å; M694-N923 HydrophobicContact SD-CB 3.66Å; F888-N923 VanDerWaalsContact O-CB 3.29Å; F888-N923 WeakPolarHBondContact O-CB 3.3Å; F888-N923 PolarHBondContact O-ND2 2.82Å; Q919-N923 PolarHBondContact NE2-OD1 3.3Å; Q919-N923 WeakPolarHBondContact O-CB 3.2Å; Q919-N923 PolarHBondContact O-N 3.26Å; Q919-N923 PolarHBondContact O-ND2 2.96Å; Q919-N923 PolarHBondContact O-OD1 2.92Å; T920-N923 PolarHBondContact O-N 3.34Å; Q921-N923 VanDerWaalsContact C-N 3.32Å; Q921-N923 PolarHBondContact O-N 2.85Å; N923-Q925 VanDerWaalsContact C-N 3.3Å; N923-Q925 PolarHBondContact O-N 3.41Å; N923-W926 PolarHBondContact O-N 3.17Å; N923-V927 WeakPolarHBondContact O-CG2 3.42Å; N923-V927 PolarHBondContact O-N 3.21Å
924	I	94.4	Very high	92.3	Very high	30 Å²	30	42.2 Å²	42.2	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-48.5	177	-70.5	161	0	0	0	110.5	S889 P891 L894 T920 Q921 Q928	S889-I924 VanDerWaalsContact C-CG1 3.4Å; S889-I924 WeakPolarHBondContact O-CA 3.21Å; S889-I924 VanDerWaalsContact O-CG1 3.26Å; S889-I924 WeakPolarHBondContact O-CG1 3.38Å; P891-I924 HydrophobicContact CG-CG2 4.3Å; L894-I924 HydrophobicContact CB-CD1 3.93Å; L894-I924 HydrophobicContact CD2-CD1 3.83Å; L894-I924 HydrophobicContact CG-CD1 4.48Å; T920-I924 HydrophobicContact CG2-CD1 4.08Å; T920-I924 WeakPolarHBondContact O-CD1 3.36Å; T920-I924 VanDerWaalsContact O-CG1 3.25Å; T920-I924 WeakPolarHBondContact O-CG1 3.45Å; T920-I924 PolarHBondContact O-N 2.98Å; Q921-I924 PolarHBondContact O-N 3.14Å; I924-Q928 WeakPolarHBondContact O-CB 3.26Å; I924-Q928 PolarHBondContact O-N 2.75Å; I924-Q928 VanDerWaalsContact O-N 3.12Å
925	Q	91.3	Very high	92.9	Very high	70 Å²	70	40.3 Å²	40.3	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-64.3	-44.5	-179.9	-179	169.2	20.8	0	0	111.4	Q921 V922 N923 Q928 E929	Q921-Q925 PolarHBondContact O-N 3.21Å; Q921-Q925 VanDerWaalsContact O-N 3.16Å; V922-Q925 PolarHBondContact O-N 3.08Å; N923-Q925 VanDerWaalsContact C-N 3.3Å; N923-Q925 PolarHBondContact O-N 3.41Å; Q925-Q928 PolarHBondContact O-N 3.31Å; Q925-E929 VanDerWaalsContact CG-OE1 3.23Å; Q925-E929 WeakPolarHBondContact CG-OE1 3.45Å; Q925-E929 PolarHBondContact NE2-OE1 3.44Å; Q925-E929 WeakPolarHBondContact O-CG 3.28Å; Q925-E929 PolarHBondContact O-N 3.44Å; Q925-E929 VanDerWaalsContact O-N 3.16Å
926	W	91.7	Very high	93.6	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.019	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-44.9	-178.1	-174.4	91.3	0	0	0	112.1	V662 Y690 F691 M694 F695 V922 N923 E929 N930	V662-W926 HydrophobicContact CG2-CZ2 4.33Å; Y690-W926 HydrophobicContact CD1-CH2 4.38Å; Y690-W926 HydrophobicContact CD1-CZ2 4.45Å; Y690-W926 HydrophobicContact CD1-CZ3 4.49Å; Y690-W926 AromaticContact CE1-CD2 3.64Å; Y690-W926 HydrophobicContact CE1-CD2 3.64Å; Y690-W926 AromaticContact CE1-CE2 3.84Å; Y690-W926 AromaticContact CE1-CE3 3.69Å; Y690-W926 HydrophobicContact CE1-CE3 3.69Å; Y690-W926 HydrophobicContact CE1-CG 4.17Å; Y690-W926 HydrophobicContact CE1-CH2 4.12Å; Y690-W926 HydrophobicContact CE1-CZ2 4.1Å; Y690-W926 AromaticContact CE1-CZ3 3.92Å; Y690-W926 HydrophobicContact CE1-CZ3 3.92Å; F691-W926 AromaticContact CD1-CH2 3.79Å; F691-W926 HydrophobicContact CD1-CH2 3.79Å; F691-W926 HydrophobicContact CD1-CZ2 4.33Å; F691-W926 HydrophobicContact CD2-CH2 4.16Å; F691-W926 HydrophobicContact CD2-CZ2 4.37Å; F691-W926 AromaticContact CE1-CH2 3.68Å; F691-W926 HydrophobicContact CE1-CH2 3.68Å; F691-W926 AromaticContact CE1-CZ2 3.78Å; F691-W926 HydrophobicContact CE1-CZ2 3.78Å; F691-W926 HydrophobicContact CE2-CH2 4.02Å; F691-W926 AromaticContact CE2-CZ2 3.79Å; F691-W926 HydrophobicContact CE2-CZ2 3.79Å; F691-W926 HydrophobicContact CG-CH2 4.03Å; F691-W926 AromaticContact CZ-CH2 3.81Å; F691-W926 HydrophobicContact CZ-CH2 3.81Å; F691-W926 AromaticContact CZ-CZ2 3.49Å; F691-W926 HydrophobicContact CZ-CZ2 3.49Å; F691-W926 VanDerWaalsContact CZ-CZ2 3.49Å; M694-W926 HydrophobicContact CB-CE3 4.47Å; M694-W926 HydrophobicContact CB-CZ3 4.01Å; M694-W926 HydrophobicContact CG-CE3 4.14Å; M694-W926 HydrophobicContact CG-CZ3 4.03Å; F695-W926 HydrophobicContact CD2-CZ3 4.37Å; F695-W926 HydrophobicContact CE1-CZ3 4.46Å; F695-W926 AromaticContact CE2-CH2 3.55Å; F695-W926 HydrophobicContact CE2-CH2 3.55Å; F695-W926 AromaticContact CE2-CZ3 3.4Å; F695-W926 HydrophobicContact CE2-CZ3 3.4Å; F695-W926 VanDerWaalsContact CE2-CZ3 3.4Å; F695-W926 HydrophobicContact CZ-CE3 4.38Å; F695-W926 AromaticContact CZ-CH2 3.97Å; F695-W926 HydrophobicContact CZ-CH2 3.97Å; F695-W926 AromaticContact CZ-CZ3 3.45Å; F695-W926 HydrophobicContact CZ-CZ3 3.45Å; F695-W926 VanDerWaalsContact CZ-CZ3 3.45Å; V922-W926 WeakPolarHBondContact O-CB 3.4Å; V922-W926 PolarHBondContact O-N 3.28Å; N923-W926 PolarHBondContact O-N 3.17Å; W926-E929 PolarHBondContact O-N 2.79Å; W926-N930 HydrophobicContact CD2-CB 4.4Å; W926-N930 HydrophobicContact CH2-CB 4.48Å; W926-N930 HydrophobicContact CZ2-CB 4.19Å; W926-N930 PolarHBondContact NE1-ND2 3.27Å; W926-N930 WeakPolarHBondContact O-CB 3.47Å; W926-N930 PolarHBondContact O-N 2.99Å; W926-N930 PolarHBondContact O-ND2 3.39Å
927	V	94.8	Very high	93.9	Very high	28 Å²	28	45.2 Å²	45.2	17%	0.17	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-47	176.3	169.2	0	0	0	0	110.6	M694 F695 N923 E929 N930 H931	M694-V927 HydrophobicContact CB-CG2 3.95Å; M694-V927 HydrophobicContact CG-CG2 4.18Å; M694-V927 HydrophobicContact SD-CG2 4.08Å; F695-V927 HydrophobicContact CE1-CG1 4.18Å; F695-V927 HydrophobicContact CE1-CG2 4.34Å; N923-V927 WeakPolarHBondContact O-CG2 3.42Å; N923-V927 PolarHBondContact O-N 3.21Å; V927-E929 PolarHBondContact O-N 3.04Å; V927-N930 PolarHBondContact O-N 2.89Å; V927-H931 WeakPolarHBondContact O-CB 3.28Å; V927-H931 PolarHBondContact O-N 3.12Å
928	Q	93.6	Very high	94.1	Very high	162 Å²	162	44.5 Å²	44.5	76%	0.757	22%	0.223	S	C	*	.	H	α-helix	trans	-58.7	-34.4	-179.6	-176.9	178.6	-2.2	0	0	113	I924 Q925	I924-Q928 WeakPolarHBondContact O-CB 3.26Å; I924-Q928 PolarHBondContact O-N 2.75Å; I924-Q928 VanDerWaalsContact O-N 3.12Å; Q925-Q928 PolarHBondContact O-N 3.31Å
929	E	93.1	Very high	94.5	Very high	93 Å²	93	47.8 Å²	47.8	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-89.5	-28.8	-175.4	-69	173.9	-174	0	0	113.5	K658 Q925 W926 V927	K658-E929 WeakPolarHBondContact CD-OE2 3.48Å; K658-E929 WeakPolarHBondContact CE-OE2 3.36Å; K658-E929 IonicContact NZ-OE1 3.66Å; K658-E929 PolarHBondContact NZ-OE1 2.7Å; K658-E929 IonicContact NZ-OE2 3.4Å; K658-E929 PolarHBondContact NZ-OE2 2.91Å; Q925-E929 VanDerWaalsContact CG-OE1 3.23Å; Q925-E929 WeakPolarHBondContact CG-OE1 3.45Å; Q925-E929 PolarHBondContact NE2-OE1 3.44Å; Q925-E929 WeakPolarHBondContact O-CG 3.28Å; Q925-E929 PolarHBondContact O-N 3.44Å; Q925-E929 VanDerWaalsContact O-N 3.16Å; W926-E929 PolarHBondContact O-N 2.79Å; V927-E929 PolarHBondContact O-N 3.04Å
930	N	95.4	Very high	95	Very high	18 Å²	18	52.4 Å²	52.4	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-110.1	-14.4	-170.6	-64.6	-81.2	0	0	0	114.3	V662 W926 V927 D932 A933 V934	V662-N930 WeakPolarHBondContact CB-OD1 3.1Å; V662-N930 HydrophobicContact CG1-CB 4.45Å; V662-N930 WeakPolarHBondContact CG1-OD1 3.41Å; W926-N930 HydrophobicContact CD2-CB 4.4Å; W926-N930 HydrophobicContact CH2-CB 4.48Å; W926-N930 HydrophobicContact CZ2-CB 4.19Å; W926-N930 PolarHBondContact NE1-ND2 3.27Å; W926-N930 WeakPolarHBondContact O-CB 3.47Å; W926-N930 PolarHBondContact O-N 2.99Å; W926-N930 PolarHBondContact O-ND2 3.39Å; V927-N930 PolarHBondContact O-N 2.89Å; N930-D932 PolarHBondContact O-N 3.14Å; N930-A933 PolarHBondContact O-N 3.41Å; N930-V934 HydrophobicContact CB-CG2 4.15Å; N930-V934 WeakPolarHBondContact O-CB 3.47Å; N930-V934 WeakPolarHBondContact O-CG2 3.49Å; N930-V934 PolarHBondContact O-N 2.94Å
931	H	96.4	Very high	95	Very high	37 Å²	37	55.1 Å²	55.1	17%	0.171	27%	0.266	C	S	.	.	H	α-helix	trans	-46.9	-58.1	-175.2	177.5	-86.2	0	0	0	113.2	F695 E699 V927 A933 V934 L935	F695-H931 HydrophobicContact CE1-CB 4.41Å; F695-H931 AromaticContact CE1-CD2 3.94Å; E699-H931 IonicContact OE1-CE1 3.83Å; V927-H931 WeakPolarHBondContact O-CB 3.28Å; V927-H931 PolarHBondContact O-N 3.12Å; H931-A933 PolarHBondContact O-N 3.24Å; H931-V934 PolarHBondContact O-N 2.78Å; H931-L935 WeakPolarHBondContact O-CB 3.31Å; H931-L935 PolarHBondContact O-N 3.19Å
932	D	97.1	Very high	95.1	Very high	109 Å²	109	50.5 Å²	50.5	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-67.5	-41.8	-173.2	-61.3	-14.8	0	0	0	111.8	N930 V934 L935 E936	N930-D932 PolarHBondContact O-N 3.14Å; D932-V934 VanDerWaalsContact C-N 3.33Å; D932-V934 PolarHBondContact O-N 2.79Å; D932-L935 PolarHBondContact O-N 2.84Å; D932-E936 WeakPolarHBondContact O-CB 3.27Å; D932-E936 VanDerWaalsContact O-CG 3.32Å; D932-E936 WeakPolarHBondContact O-CG 3.48Å; D932-E936 PolarHBondContact O-N 2.84Å
933	A	97.2	Very high	95.3	Very high	35 Å²	35	52.6 Å²	52.6	29%	0.289	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-37.3	178.8	0	0	0	0	0	112.3	V662 N930 H931 W937	V662-A933 HydrophobicContact CG1-CB 4.02Å; N930-A933 PolarHBondContact O-N 3.41Å; H931-A933 PolarHBondContact O-N 3.24Å; A933-W937 VanDerWaalsContact O-CB 3.24Å; A933-W937 WeakPolarHBondContact O-CB 3.33Å; A933-W937 PolarHBondContact O-N 2.86Å; A933-W937 VanDerWaalsContact O-N 3.08Å
934	V	97.8	Very high	94.8	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-44.1	176.4	174.6	0	0	0	0	110.5	V662 L666 F691 F695 V700 N930 H931 D932 W937 F938	V662-V934 HydrophobicContact CG1-CG2 4.12Å; V662-V934 HydrophobicContact CG2-CG2 3.79Å; L666-V934 HydrophobicContact CD1-CG1 4.44Å; L666-V934 HydrophobicContact CD1-CG2 4.36Å; F691-V934 HydrophobicContact CD1-CG1 4.19Å; F691-V934 HydrophobicContact CD1-CG2 4.45Å; F691-V934 HydrophobicContact CE1-CG1 4.39Å; F691-V934 HydrophobicContact CE1-CG2 3.95Å; F695-V934 HydrophobicContact CD2-CG1 4.31Å; F695-V934 HydrophobicContact CE2-CB 4.24Å; F695-V934 HydrophobicContact CE2-CG1 3.87Å; F695-V934 HydrophobicContact CE2-CG2 4.33Å; V700-V934 HydrophobicContact CG1-CG1 3.76Å; N930-V934 HydrophobicContact CB-CG2 4.15Å; N930-V934 WeakPolarHBondContact O-CB 3.47Å; N930-V934 WeakPolarHBondContact O-CG2 3.49Å; N930-V934 PolarHBondContact O-N 2.94Å; H931-V934 PolarHBondContact O-N 2.78Å; D932-V934 VanDerWaalsContact C-N 3.33Å; D932-V934 PolarHBondContact O-N 2.79Å; V934-W937 PolarHBondContact O-N 3.49Å; V934-F938 HydrophobicContact CG1-CD2 3.64Å; V934-F938 HydrophobicContact CG1-CE2 3.42Å; V934-F938 VanDerWaalsContact CG1-CE2 3.42Å; V934-F938 VanDerWaalsContact O-CD2 3.27Å; V934-F938 WeakPolarHBondContact O-CD2 3.38Å; V934-F938 PolarHBondContact O-N 3.36Å
935	L	98	Very high	94.1	Very high	21 Å²	21	61.7 Å²	61.7	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-56.3	175.5	-178.5	58.4	0	0	0	111.3	E699 V700 P703 H931 D932 W937 F938 E939	E699-L935 HydrophobicContact CG-CD2 4.19Å; V700-L935 HydrophobicContact CG2-CB 4.06Å; V700-L935 HydrophobicContact CG2-CD1 4.23Å; P703-L935 HydrophobicContact CG-CD1 4.37Å; H931-L935 WeakPolarHBondContact O-CB 3.31Å; H931-L935 PolarHBondContact O-N 3.19Å; D932-L935 PolarHBondContact O-N 2.84Å; L935-W937 PolarHBondContact O-N 3.35Å; L935-F938 PolarHBondContact O-N 2.8Å; L935-E939 HydrophobicContact CD1-CG 4.11Å; L935-E939 HydrophobicContact CG-CG 4.45Å; L935-E939 WeakPolarHBondContact O-CG 3.33Å; L935-E939 PolarHBondContact O-N 2.78Å
936	E	97.9	Very high	92.4	Very high	126 Å²	126	68.4 Å²	68.4	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-59.2	-34.8	-179.5	-73.7	-179.4	-176.6	0	0	112	D932 R940	D932-E936 WeakPolarHBondContact O-CB 3.27Å; D932-E936 VanDerWaalsContact O-CG 3.32Å; D932-E936 WeakPolarHBondContact O-CG 3.48Å; D932-E936 PolarHBondContact O-N 2.84Å; E936-R940 WeakPolarHBondContact O-CB 3.13Å; E936-R940 PolarHBondContact O-N 3.23Å
937	W	97.9	Very high	92.5	Very high	1 Å²	1	71.6 Å²	71.6	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-50.7	177.2	-171.7	103.1	0	0	0	111.4	T663 L666 R670 Y707 A933 V934 L935 R940 E941	T663-W937 HydrophobicContact CG2-CB 4.4Å; T663-W937 HydrophobicContact CG2-CG 4.43Å; L666-W937 HydrophobicContact CB-CD2 3.66Å; L666-W937 VanDerWaalsContact CB-CE2 3.42Å; L666-W937 HydrophobicContact CB-CE3 3.94Å; L666-W937 HydrophobicContact CB-CG 4.24Å; L666-W937 HydrophobicContact CB-CH2 3.8Å; L666-W937 HydrophobicContact CB-CZ2 3.52Å; L666-W937 HydrophobicContact CB-CZ3 4.01Å; L666-W937 HydrophobicContact CD1-CB 3.94Å; L666-W937 HydrophobicContact CD1-CD2 3.68Å; L666-W937 HydrophobicContact CD1-CE3 3.81Å; L666-W937 HydrophobicContact CD1-CG 3.72Å; L666-W937 HydrophobicContact CG-CD2 4.28Å; L666-W937 HydrophobicContact CG-CE3 4.33Å; L666-W937 WeakPolarHBondContact O-CH2 3.36Å; L666-W937 VanDerWaalsContact O-CZ2 3.26Å; L666-W937 WeakPolarHBondContact O-CZ2 3.34Å; R670-W937 HydrophobicContact CG-CZ2 4.36Å; Y707-W937 HydrophobicContact CD1-CZ3 4.28Å; Y707-W937 HydrophobicContact CD2-CH2 4.14Å; Y707-W937 AromaticContact CD2-CZ3 3.88Å; Y707-W937 HydrophobicContact CD2-CZ3 3.88Å; Y707-W937 HydrophobicContact CE1-CH2 4.13Å; Y707-W937 HydrophobicContact CE1-CZ3 4.12Å; Y707-W937 AromaticContact CE2-CH2 3.48Å; Y707-W937 HydrophobicContact CE2-CH2 3.48Å; Y707-W937 VanDerWaalsContact CE2-CH2 3.48Å; Y707-W937 AromaticContact CE2-CZ3 3.71Å; Y707-W937 HydrophobicContact CE2-CZ3 3.71Å; Y707-W937 HydrophobicContact CG-CZ3 4.17Å; Y707-W937 AromaticContact CZ-CH2 3.5Å; Y707-W937 VanDerWaalsContact CZ-CH2 3.5Å; Y707-W937 AromaticContact CZ-CZ3 3.86Å; A933-W937 VanDerWaalsContact O-CB 3.24Å; A933-W937 WeakPolarHBondContact O-CB 3.33Å; A933-W937 PolarHBondContact O-N 2.86Å; A933-W937 VanDerWaalsContact O-N 3.08Å; V934-W937 PolarHBondContact O-N 3.49Å; L935-W937 PolarHBondContact O-N 3.35Å; W937-R940 PolarHBondContact O-N 2.93Å; W937-E941 HydrophobicContact CD2-CG 3.9Å; W937-E941 HydrophobicContact CE3-CG 3.88Å; W937-E941 HydrophobicContact CH2-CG 3.74Å; W937-E941 HydrophobicContact CZ2-CG 3.73Å; W937-E941 HydrophobicContact CZ3-CB 4.31Å; W937-E941 HydrophobicContact CZ3-CG 3.8Å; W937-E941 WeakPolarHBondContact O-CG 3.26Å; W937-E941 PolarHBondContact O-N 2.92Å
938	F	97.9	Very high	92.4	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-45.2	-179.6	-75.3	-58.7	0	0	0	111.2	L666 V700 P703 M704 Y707 V934 L935 R940 E941 T942	L666-F938 HydrophobicContact CD2-CE1 4.31Å; L666-F938 HydrophobicContact CD2-CE2 4.33Å; L666-F938 HydrophobicContact CD2-CZ 3.72Å; V700-F938 HydrophobicContact CG1-CD2 4.1Å; V700-F938 HydrophobicContact CG1-CE2 4.46Å; P703-F938 HydrophobicContact CB-CB 3.68Å; M704-F938 HydrophobicContact CB-CD1 4.44Å; M704-F938 HydrophobicContact CB-CD2 3.96Å; M704-F938 HydrophobicContact CB-CE1 4.42Å; M704-F938 HydrophobicContact CB-CE2 3.91Å; M704-F938 HydrophobicContact CB-CG 4.24Å; M704-F938 HydrophobicContact CB-CZ 4.17Å; M704-F938 HydrophobicContact CE-CZ 4.43Å; M704-F938 HydrophobicContact CG-CD2 4.38Å; M704-F938 HydrophobicContact CG-CE1 4.13Å; M704-F938 HydrophobicContact CG-CE2 3.83Å; M704-F938 HydrophobicContact CG-CZ 3.71Å; M704-F938 HydrophobicContact SD-CE2 4.2Å; M704-F938 HydrophobicContact SD-CZ 4.33Å; Y707-F938 HydrophobicContact CD1-CD1 4.03Å; Y707-F938 AromaticContact CD1-CE1 3.59Å; Y707-F938 HydrophobicContact CD1-CE1 3.59Å; Y707-F938 HydrophobicContact CD2-CD1 4.49Å; Y707-F938 HydrophobicContact CE1-CE1 4.22Å; Y707-F938 AromaticContact CG-CD1 3.82Å; Y707-F938 HydrophobicContact CG-CD1 3.82Å; Y707-F938 AromaticContact CG-CE1 3.88Å; Y707-F938 HydrophobicContact CG-CE1 3.88Å; V934-F938 HydrophobicContact CG1-CD2 3.64Å; V934-F938 HydrophobicContact CG1-CE2 3.42Å; V934-F938 VanDerWaalsContact CG1-CE2 3.42Å; V934-F938 VanDerWaalsContact O-CD2 3.27Å; V934-F938 WeakPolarHBondContact O-CD2 3.38Å; V934-F938 PolarHBondContact O-N 3.36Å; L935-F938 PolarHBondContact O-N 2.8Å; F938-R940 VanDerWaalsContact C-N 3.26Å; F938-R940 PolarHBondContact O-N 2.84Å; F938-E941 PolarHBondContact O-N 2.69Å; F938-E941 VanDerWaalsContact O-N 3.17Å; F938-T942 WeakPolarHBondContact O-CG2 3.46Å; F938-T942 PolarHBondContact O-N 3.43Å; F938-T942 PolarHBondContact O-OG1 3.23Å
939	E	96.9	Very high	92.3	Very high	100 Å²	100	68.9 Å²	68.9	47%	0.467	35%	0.349	S	S	.	.	H	α-helix	trans	-56.3	-41.4	175.4	-72.3	-176.9	155.5	0	0	112	P703 L935 T942 A943	P703-E939 HydrophobicContact CB-CG 4.27Å; P703-E939 HydrophobicContact CG-CG 3.93Å; L935-E939 HydrophobicContact CD1-CG 4.11Å; L935-E939 HydrophobicContact CG-CG 4.45Å; L935-E939 WeakPolarHBondContact O-CG 3.33Å; L935-E939 PolarHBondContact O-N 2.78Å; E939-T942 PolarHBondContact O-N 2.95Å; E939-T942 PolarHBondContact O-OG1 3.01Å; E939-A943 WeakPolarHBondContact O-CA 3.38Å; E939-A943 WeakPolarHBondContact O-CB 2.96Å; E939-A943 PolarHBondContact O-N 3.4Å
940	R	96.7	Very high	92.2	Very high	137 Å²	137	67.5 Å²	67.5	52%	0.517	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-43.7	177.6	-178	179.7	64.3	-130.4	-7.2	112.4	E936 W937 F938 T942	E936-R940 WeakPolarHBondContact O-CB 3.13Å; E936-R940 PolarHBondContact O-N 3.23Å; W937-R940 PolarHBondContact O-N 2.93Å; F938-R940 VanDerWaalsContact C-N 3.26Å; F938-R940 PolarHBondContact O-N 2.84Å; R940-T942 VanDerWaalsContact C-N 3.26Å; R940-T942 PolarHBondContact O-N 3.11Å
941	E	94.9	Very high	92	Very high	59 Å²	59	70.6 Å²	70.6	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-71.4	-23.6	179.4	-64.7	-65.6	128.8	0	0	112	R670 Y707 W937 F938	R670-E941 IonicContact NE-OE2 2.76Å; Y707-E941 HydrophobicContact CD2-CB 3.93Å; Y707-E941 HydrophobicContact CE2-CB 4.26Å; W937-E941 HydrophobicContact CD2-CG 3.9Å; W937-E941 HydrophobicContact CE3-CG 3.88Å; W937-E941 HydrophobicContact CH2-CG 3.74Å; W937-E941 HydrophobicContact CZ2-CG 3.73Å; W937-E941 HydrophobicContact CZ3-CB 4.31Å; W937-E941 HydrophobicContact CZ3-CG 3.8Å; W937-E941 WeakPolarHBondContact O-CG 3.26Å; W937-E941 PolarHBondContact O-N 2.92Å; F938-E941 PolarHBondContact O-N 2.69Å; F938-E941 VanDerWaalsContact O-N 3.17Å
942	T	94.6	Very high	91.8	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-100.5	-4.5	179.1	64.4	0	0	0	0	114.9	P703 L706 F938 E939 R940 N944 L945	P703-T942 WeakPolarHBondContact O-CG2 3.05Å; L706-T942 HydrophobicContact CB-CG2 3.82Å; F938-T942 WeakPolarHBondContact O-CG2 3.46Å; F938-T942 PolarHBondContact O-N 3.43Å; F938-T942 PolarHBondContact O-OG1 3.23Å; E939-T942 PolarHBondContact O-N 2.95Å; E939-T942 PolarHBondContact O-OG1 3.01Å; R940-T942 VanDerWaalsContact C-N 3.26Å; R940-T942 PolarHBondContact O-N 3.11Å; T942-N944 PolarHBondContact O-N 2.93Å; T942-L945 HydrophobicContact CG2-CD1 4.19Å; T942-L945 WeakPolarHBondContact O-CB 3.24Å; T942-L945 PolarHBondContact O-N 3.49Å
943	A	90.9	Very high	91.4	Very high	67 Å²	67	70.3 Å²	70.3	55%	0.554	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.8	-174.9	0	0	0	0	0	115.3	E939	E939-A943 WeakPolarHBondContact O-CA 3.38Å; E939-A943 WeakPolarHBondContact O-CB 2.96Å; E939-A943 PolarHBondContact O-N 3.4Å
944	N	82.9	Confident	90.9	Very high	157 Å²	157	73 Å²	73	84%	0.84	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	6	178	-59.1	-56.6	0	0	0	113.5	T942	T942-N944 PolarHBondContact O-N 2.93Å
945	L	80.2	Confident	90.4	Very high	65 Å²	65	79.1 Å²	79.1	34%	0.34	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-11.1	-177.6	-59.6	179	0	0	0	113.2	H710 T942	H710-L945 HydrophobicContact CB-CD1 3.64Å; T942-L945 HydrophobicContact CG2-CD1 4.19Å; T942-L945 WeakPolarHBondContact O-CB 3.24Å; T942-L945 PolarHBondContact O-N 3.49Å
946	E	55.6	Low	89.7	Confident	211 Å²	211	84.4 Å²	84.4	99%	0.986	42%	0.418	S	S	*	.			trans	-78.4	0	176.5	-69.8	-168.4	160.7	0	0	114.3	L706	L706-E946 HydrophobicContact CD1-CG 4.39Å

Retrieved 946 of 946 residues in 1039.9 ms (Link to these results)

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