A0A3Q0KPN2_SCHMA Loading...

Subtilisin-like protease

AlphaFold DB , UniProt , Accession A0A3Q0KPN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 778 aa.

Structure Viewer

Loading PAE data...

(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	53.9	Low	56.3	Low	190 Å²	190	120.6 Å²	120.6	94%	0.936	60%	0.603	S	S	*	*				0	-58.4	0	-99.7	-172.1	86.2	0	0	113.5	M3 F4 I5	M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.01Å; M1-F4 WeakPolarHBondContact O-CB 3.34Å; M1-F4 PolarHBondContact O-N 3.48Å; M1-I5 HydrophobicContact CE-CD1 4.33Å; M1-I5 PolarHBondContact O-N 3.21Å; M1-I5 VanDerWaalsContact O-N 3.08Å
2	L	57.8	Low	55	Low	135 Å²	135	117 Å²	117	71%	0.707	59%	0.586	S	S	*	*	H	α-helix	trans	-55.2	-43.6	-175.3	-155.1	84.7	0	0	0	113.4	F4 I5 I6	L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 2.91Å; L2-I5 PolarHBondContact O-N 3.41Å; L2-I6 HydrophobicContact CD2-CD1 4.46Å; L2-I6 HydrophobicContact CG-CD1 4.39Å; L2-I6 WeakPolarHBondContact O-CG1 3.34Å; L2-I6 PolarHBondContact O-N 3Å
3	M	52.8	Low	53.7	Low	141 Å²	141	113.9 Å²	113.9	70%	0.695	57%	0.571	S	S	*	*	H	α-helix	trans	-64.3	-34.6	177.9	-152.6	-173.5	132.1	0	0	112.9	M1 I6 L7	M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.01Å; M3-I6 PolarHBondContact O-N 3.42Å; M3-L7 HydrophobicContact CE-CD1 3.99Å; M3-L7 WeakPolarHBondContact O-CB 3.42Å; M3-L7 WeakPolarHBondContact O-CD1 3.49Å; M3-L7 WeakPolarHBondContact O-CG 3.45Å; M3-L7 PolarHBondContact O-N 3.16Å
4	F	62.2	Low	52.7	Low	166 Å²	166	117.1 Å²	117.1	73%	0.728	58%	0.58	S	S	*	*	H	α-helix	trans	-68.6	-40	175.7	-115.1	-85	0	0	0	111.6	M1 L2 L7 F8	M1-F4 WeakPolarHBondContact O-CB 3.34Å; M1-F4 PolarHBondContact O-N 3.48Å; L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 2.91Å; F4-L7 PolarHBondContact O-N 3.17Å; F4-F8 VanDerWaalsContact O-CB 3.28Å; F4-F8 WeakPolarHBondContact O-CB 3.32Å; F4-F8 PolarHBondContact O-N 3.27Å
5	I	67.6	Low	51.8	Low	80 Å²	80	115.2 Å²	115.2	41%	0.41	58%	0.577	S	S	.	*	H	α-helix	trans	-65.8	-42.1	176.4	-64.9	168.3	0	0	0	110.6	M1 L2 F8 H9	M1-I5 HydrophobicContact CE-CD1 4.33Å; M1-I5 PolarHBondContact O-N 3.21Å; M1-I5 VanDerWaalsContact O-N 3.08Å; L2-I5 PolarHBondContact O-N 3.41Å; I5-F8 PolarHBondContact O-N 3.23Å; I5-H9 WeakPolarHBondContact O-CB 3.17Å; I5-H9 PolarHBondContact O-N 2.98Å
6	I	65.9	Low	50.8	Low	90 Å²	90	109.5 Å²	109.5	46%	0.462	55%	0.55	S	S	.	*	H	α-helix	trans	-62.8	-47.2	176.8	-67.4	165.7	0	0	0	110.6	L2 M3 F8 H9 L10	L2-I6 HydrophobicContact CD2-CD1 4.46Å; L2-I6 HydrophobicContact CG-CD1 4.39Å; L2-I6 WeakPolarHBondContact O-CG1 3.34Å; L2-I6 PolarHBondContact O-N 3Å; M3-I6 PolarHBondContact O-N 3.42Å; I6-F8 PolarHBondContact O-N 3.13Å; I6-H9 PolarHBondContact O-N 3.25Å; I6-L10 HydrophobicContact CG2-CD1 3.79Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.08Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.16Å; I6-L10 PolarHBondContact O-N 3.46Å
7	L	56.7	Low	50	Low	94 Å²	94	107.9 Å²	107.9	49%	0.492	54%	0.543	S	S	.	.	H	α-helix	trans	-62.2	-43	177	-81.3	160.7	0	0	0	112.1	M3 F4 L10 C11	M3-L7 HydrophobicContact CE-CD1 3.99Å; M3-L7 WeakPolarHBondContact O-CB 3.42Å; M3-L7 WeakPolarHBondContact O-CD1 3.49Å; M3-L7 WeakPolarHBondContact O-CG 3.45Å; M3-L7 PolarHBondContact O-N 3.16Å; F4-L7 PolarHBondContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3.34Å; L7-C11 PolarHBondContact O-N 3.46Å
8	F	59.1	Low	49.6	Very low	141 Å²	141	105.6 Å²	105.6	62%	0.618	54%	0.544	S	S	*	.	H	α-helix	trans	-63.6	-44	177.9	-167.2	-102.5	0	0	0	111.6	F4 I5 I6 C11 L12	F4-F8 VanDerWaalsContact O-CB 3.28Å; F4-F8 WeakPolarHBondContact O-CB 3.32Å; F4-F8 PolarHBondContact O-N 3.27Å; I5-F8 PolarHBondContact O-N 3.23Å; I6-F8 PolarHBondContact O-N 3.13Å; F8-C11 PolarHBondContact O-N 2.93Å; F8-L12 HydrophobicContact CD1-CD1 3.61Å; F8-L12 HydrophobicContact CE1-CD1 3.21Å; F8-L12 HydrophobicContact CZ-CD1 3.82Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 PolarHBondContact O-N 3.47Å
9	H	49	Very low	49.4	Very low	107 Å²	107	105.2 Å²	105.2	50%	0.495	55%	0.547	S	S	.	.	H	α-helix	trans	-64.9	-41.1	175	-85.5	-43.7	0	0	0	112.8	I5 I6 C11 L12 I13	I5-H9 WeakPolarHBondContact O-CB 3.17Å; I5-H9 PolarHBondContact O-N 2.98Å; I6-H9 PolarHBondContact O-N 3.25Å; H9-C11 VanDerWaalsContact C-N 3.34Å; H9-C11 PolarHBondContact O-N 3.02Å; H9-L12 PolarHBondContact O-N 2.94Å; H9-I13 WeakPolarHBondContact O-CB 3.43Å; H9-I13 WeakPolarHBondContact O-CD1 3.34Å; H9-I13 WeakPolarHBondContact O-CG1 3.3Å; H9-I13 PolarHBondContact O-N 3.14Å
10	L	49.1	Very low	49.8	Very low	98 Å²	98	100.7 Å²	100.7	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.6	-74.2	166.6	0	0	0	111.8	I6 L7 I13 K14	I6-L10 HydrophobicContact CG2-CD1 3.79Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.08Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.16Å; I6-L10 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 3.34Å; L10-I13 PolarHBondContact O-N 3.27Å; L10-K14 PolarHBondContact O-N 2.94Å
11	C	45.1	Very low	50.6	Low	85 Å²	85	99.5 Å²	99.5	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-43.6	174.4	-99.9	0	0	0	0	112.7	L7 F8 H9 K14 T15	L7-C11 PolarHBondContact O-N 3.46Å; F8-C11 PolarHBondContact O-N 2.93Å; H9-C11 VanDerWaalsContact C-N 3.34Å; H9-C11 PolarHBondContact O-N 3.02Å; C11-K14 PolarHBondContact O-N 3.44Å; C11-T15 PolarHBondContact O-N 2.85Å; C11-T15 PolarHBondContact O-OG1 3.43Å
12	L	40.6	Very low	51.6	Low	77 Å²	77	96.9 Å²	96.9	40%	0.403	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-41.1	176.1	-109.9	142.1	0	0	0	111.9	F8 H9 T15 V16	F8-L12 HydrophobicContact CD1-CD1 3.61Å; F8-L12 HydrophobicContact CE1-CD1 3.21Å; F8-L12 HydrophobicContact CZ-CD1 3.82Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 PolarHBondContact O-N 3.47Å; H9-L12 PolarHBondContact O-N 2.94Å; L12-T15 WeakPolarHBondContact CA-OG1 3.23Å; L12-T15 PolarHBondContact O-OG1 2.92Å; L12-T15 VanDerWaalsContact O-OG1 3.08Å; L12-V16 WeakPolarHBondContact O-CB 3.36Å; L12-V16 WeakPolarHBondContact O-CG2 3.19Å; L12-V16 PolarHBondContact O-N 3.44Å
13	I	38.8	Very low	52.9	Low	77 Å²	77	92.3 Å²	92.3	40%	0.395	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-45.3	176.4	-69.4	163.4	0	0	0	110.4	H9 L10 V16 L17	H9-I13 WeakPolarHBondContact O-CB 3.43Å; H9-I13 WeakPolarHBondContact O-CD1 3.34Å; H9-I13 WeakPolarHBondContact O-CG1 3.3Å; H9-I13 PolarHBondContact O-N 3.14Å; L10-I13 PolarHBondContact O-N 3.27Å; I13-V16 PolarHBondContact O-N 2.94Å; I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.37Å; I13-L17 WeakPolarHBondContact O-CB 3.08Å; I13-L17 VanDerWaalsContact O-CG 3.23Å; I13-L17 WeakPolarHBondContact O-CG 3.5Å; I13-L17 PolarHBondContact O-N 2.71Å
14	K	39.5	Very low	54.6	Low	159 Å²	159	86 Å²	86	69%	0.691	44%	0.438	S	S	*	.	H	α-helix	trans	-62.3	-45	177.9	-79.9	-172.1	175.2	-173.5	0	112.9	L10 C11 L17 A18	L10-K14 PolarHBondContact O-N 2.94Å; C11-K14 PolarHBondContact O-N 3.44Å; K14-L17 PolarHBondContact O-N 3.48Å; K14-A18 PolarHBondContact O-N 2.94Å; K14-A18 VanDerWaalsContact O-N 3.09Å
15	T	38.6	Very low	56	Low	88 Å²	88	78.1 Å²	78.1	54%	0.54	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-40.1	178.3	38.4	0	0	0	0	112.3	C11 L12 A18 T19	C11-T15 PolarHBondContact O-N 2.85Å; C11-T15 PolarHBondContact O-OG1 3.43Å; L12-T15 WeakPolarHBondContact CA-OG1 3.23Å; L12-T15 PolarHBondContact O-OG1 2.92Å; L12-T15 VanDerWaalsContact O-OG1 3.08Å; T15-A18 PolarHBondContact O-N 2.84Å; T15-T19 PolarHBondContact O-N 3.48Å
16	V	35.8	Very low	57.1	Low	24 Å²	24	74.3 Å²	74.3	15%	0.145	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-43.1	175.3	172.5	0	0	0	0	111.1	L12 I13 A18 T19 C20 K67	L12-V16 WeakPolarHBondContact O-CB 3.36Å; L12-V16 WeakPolarHBondContact O-CG2 3.19Å; L12-V16 PolarHBondContact O-N 3.44Å; I13-V16 PolarHBondContact O-N 2.94Å; V16-A18 PolarHBondContact O-N 3.17Å; V16-T19 PolarHBondContact O-N 3.37Å; V16-T19 PolarHBondContact O-OG1 3.46Å; V16-C20 PolarHBondContact O-SG 2.73Å; V16-K67 HydrophobicContact CG1-CB 4.42Å
17	L	37.5	Very low	58.3	Low	82 Å²	82	71.2 Å²	71.2	43%	0.429	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-44.2	177.5	-75.4	167	0	0	0	112.3	I13 K14 T19 C20 H21	I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.37Å; I13-L17 WeakPolarHBondContact O-CB 3.08Å; I13-L17 VanDerWaalsContact O-CG 3.23Å; I13-L17 WeakPolarHBondContact O-CG 3.5Å; I13-L17 PolarHBondContact O-N 2.71Å; K14-L17 PolarHBondContact O-N 3.48Å; L17-T19 VanDerWaalsContact C-N 3.28Å; L17-T19 PolarHBondContact O-N 3.5Å; L17-C20 PolarHBondContact O-N 2.87Å; L17-H21 PolarHBondContact O-CD2 3.25Å
18	A	43.7	Very low	60	Low	67 Å²	67	66.7 Å²	66.7	55%	0.554	34%	0.344	S	S	*	.	H	α-helix	trans	-59.1	-36.8	178.8	0	0	0	0	0	112.9	K14 T15 V16 C20	K14-A18 PolarHBondContact O-N 2.94Å; K14-A18 VanDerWaalsContact O-N 3.09Å; T15-A18 PolarHBondContact O-N 2.84Å; V16-A18 PolarHBondContact O-N 3.17Å; A18-C20 VanDerWaalsContact C-N 3.28Å; A18-C20 PolarHBondContact O-N 2.51Å
19	T	45.9	Very low	61.4	Low	98 Å²	98	64.7 Å²	64.7	60%	0.601	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-4	178.1	58	0	0	0	0	114.7	T15 V16 L17	T15-T19 PolarHBondContact O-N 3.48Å; V16-T19 PolarHBondContact O-N 3.37Å; V16-T19 PolarHBondContact O-OG1 3.46Å; L17-T19 VanDerWaalsContact C-N 3.28Å; L17-T19 PolarHBondContact O-N 3.5Å
20	C	57.3	Low	63.4	Low	14 Å²	14	60 Å²	60	10%	0.095	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-8.1	-176.3	-72.7	0	0	0	0	115.1	V16 L17 A18 K62 C63	V16-C20 PolarHBondContact O-SG 2.73Å; L17-C20 PolarHBondContact O-N 2.87Å; A18-C20 VanDerWaalsContact C-N 3.28Å; A18-C20 PolarHBondContact O-N 2.51Å; C20-K62 PolarHBondContact O-N 2.84Å; C20-C63 HydrophobicContact CB-CB 4.13Å; C20-C63 WeakPolarHBondContact CB-SG 3.26Å; C20-C63 WeakPolarHBondContact SG-CA 3.19Å; C20-C63 WeakPolarHBondContact SG-CB 3.36Å; C20-C63 CovalentContact SG-SG 2.06Å; C20-C63 PolarHBondContact SG-SG 3.46Å
21	H	64.9	Low	65.3	Low	76 Å²	76	57.8 Å²	57.8	35%	0.352	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132	-177.7	-79.3	-85.7	0	0	0	111.6	L17 S59	L17-H21 PolarHBondContact O-CD2 3.25Å; H21-S59 PolarHBondContact ND1-OG 3.15Å
22	R	75.7	Confident	67.3	Low	135 Å²	135	57.7 Å²	57.7	51%	0.509	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139	168.9	-70.3	-168.5	176	-160.1	-4.7	109.4	F24 S59 Y60	R22-F24 HydrophobicContact CB-CE2 3.75Å; R22-F24 HydrophobicContact CB-CZ 4.32Å; R22-S59 WeakPolarHBondContact O-CA 3.48Å; R22-Y60 PolarHBondContact N-O 3.02Å; R22-Y60 PolarHBondContact O-N 2.92Å
23	Y	85.5	Confident	69.6	Low	39 Å²	39	58.8 Å²	58.8	15%	0.153	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141	178.4	-57.3	-79.9	0	0	0	110.1	E57 I58 L101 P287 T289	Y23-E57 HydrophobicContact CD1-CG 4.44Å; Y23-I58 CarbonylContact C-O 3.53Å; Y23-I58 WeakPolarHBondContact CA-O 3.28Å; Y23-L101 PolarHBondContact O-N 3.29Å; Y23-P287 HydrophobicContact CE2-CB 4.42Å; Y23-T289 HydrophobicContact CD2-CG2 4.24Å; Y23-T289 HydrophobicContact CG-CG2 4.4Å
24	F	88.1	Confident	72.1	Confident	10 Å²	10	58.7 Å²	58.7	4%	0.044	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.1	173.4	-58.9	-101.1	0	0	0	109.3	R22 E57 I58 Q86 I98 K99 P100	R22-F24 HydrophobicContact CB-CE2 3.75Å; R22-F24 HydrophobicContact CB-CZ 4.32Å; F24-E57 CarbonylContact O-C 3.52Å; F24-E57 WeakPolarHBondContact O-CA 3.48Å; F24-I58 HydrophobicContact CB-CD1 4.23Å; F24-I58 HydrophobicContact CB-CG1 3.82Å; F24-I58 PolarHBondContact N-O 3.43Å; F24-I58 WeakPolarHBondContact O-CG1 3.48Å; F24-I58 PolarHBondContact O-N 3.22Å; F24-Q86 VanDerWaalsContact CE1-NE2 3.34Å; F24-I98 HydrophobicContact CB-CG2 4.05Å; F24-I98 HydrophobicContact CD1-CG2 4.08Å; F24-I98 HydrophobicContact CG-CG2 4.38Å; F24-K99 CarbonylContact C-O 3.55Å; F24-K99 WeakPolarHBondContact CA-O 3.43Å; F24-K99 WeakPolarHBondContact CB-O 3.43Å; F24-P100 VanDerWaalsContact CD1-CA 3.49Å; F24-P100 HydrophobicContact CD1-CB 3.93Å; F24-P100 HydrophobicContact CE1-CB 3.84Å
25	A	90.7	Very high	74.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.6	165.5	0	0	0	0	0	109	V55 Y56 I98 K99 L101 F291 Y326	A25-V55 HydrophobicContact CB-CG1 3.98Å; A25-Y56 CarbonylContact C-O 3.52Å; A25-Y56 WeakPolarHBondContact CA-O 3.14Å; A25-I98 CarbonylContact O-C 3.59Å; A25-I98 WeakPolarHBondContact O-CA 3.28Å; A25-K99 PolarHBondContact N-O 3.1Å; A25-K99 PolarHBondContact O-N 2.91Å; A25-L101 HydrophobicContact CB-CD1 4.13Å; A25-L101 HydrophobicContact CB-CD2 3.99Å; A25-L101 HydrophobicContact CB-CG 4.08Å; A25-F291 HydrophobicContact CB-CD2 4.48Å; A25-Y326 HydrophobicContact CB-CE2 3.59Å; A25-Y326 VanDerWaalsContact CB-OH 3.29Å; A25-Y326 WeakPolarHBondContact CB-OH 3.02Å
26	I	90.8	Very high	76.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.1	173.8	-63.8	-176.1	0	0	0	107.8	T28 V35 I39 V55 Y56 I58 I89 I95 E97 I98	I26-T28 HydrophobicContact CG2-CG2 3.73Å; I26-V35 HydrophobicContact CD1-CG1 4.38Å; I26-I39 HydrophobicContact CD1-CG2 4.27Å; I26-V55 VanDerWaalsContact O-CA 3.31Å; I26-V55 WeakPolarHBondContact O-CA 3.42Å; I26-Y56 PolarHBondContact N-O 2.71Å; I26-Y56 PolarHBondContact O-N 2.93Å; I26-I58 HydrophobicContact CD1-CB 4.47Å; I26-I58 HydrophobicContact CD1-CD1 3.59Å; I26-I58 HydrophobicContact CD1-CG1 3.87Å; I26-I58 HydrophobicContact CD1-CG2 3.77Å; I26-I58 HydrophobicContact CG1-CD1 4.16Å; I26-I58 HydrophobicContact CG1-CG1 4.07Å; I26-I58 HydrophobicContact CG1-CG2 4.34Å; I26-I89 HydrophobicContact CD1-CG2 4.28Å; I26-I95 HydrophobicContact CG2-CD1 3.41Å; I26-I95 VanDerWaalsContact CG2-CD1 3.41Å; I26-I95 HydrophobicContact CG2-CG2 4.34Å; I26-E97 WeakPolarHBondContact CA-O 3.09Å; I26-I98 HydrophobicContact CG1-CG1 4.33Å; I26-I98 HydrophobicContact CG1-CG2 4.29Å
27	E	91.7	Very high	79.3	Confident	24 Å²	24	54.6 Å²	54.6	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.6	169.9	-53.7	-171.9	-161.1	0	0	107.7	V55 Q96 E97 K99 K325 Y326	E27-V55 HydrophobicContact CG-CG1 4.28Å; E27-V55 HydrophobicContact CG-CG2 4Å; E27-Q96 HydrophobicContact CB-CB 4.46Å; E27-Q96 WeakPolarHBondContact O-CB 3.21Å; E27-Q96 PolarHBondContact O-N 2.87Å; E27-E97 HydrophobicContact CB-CB 4.18Å; E27-E97 HydrophobicContact CG-CB 4.35Å; E27-E97 PolarHBondContact N-O 3.4Å; E27-E97 PolarHBondContact O-N 2.84Å; E27-K99 IonicContact OE1-NZ 2.71Å; E27-K99 PolarHBondContact OE1-NZ 3.4Å; E27-K325 IonicContact OE1-NZ 2.84Å; E27-K325 PolarHBondContact OE1-NZ 3.15Å; E27-K325 IonicContact OE2-NZ 3.44Å; E27-K325 PolarHBondContact OE2-NZ 3.14Å; E27-Y326 PolarHBondContact OE1-OH 2.94Å; E27-Y326 VanDerWaalsContact OE1-OH 3.1Å
28	T	92.1	Very high	81.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	146.8	-166.4	-178.3	0	0	0	0	114.4	I26 L30 V35 N54 Y56 K94	I26-T28 HydrophobicContact CG2-CG2 3.73Å; T28-L30 HydrophobicContact CG2-CB 4.15Å; T28-L30 PolarHBondContact O-N 3.31Å; T28-L30 WeakPolarHBondContact OG1-CB 3.43Å; T28-L30 WeakPolarHBondContact OG1-CG 3.28Å; T28-L30 PolarHBondContact OG1-N 3.39Å; T28-L30 VanDerWaalsContact OG1-N 3.09Å; T28-V35 HydrophobicContact CG2-CG2 3.72Å; T28-N54 PolarHBondContact N-O 2.93Å; T28-N54 WeakPolarHBondContact O-CB 3.44Å; T28-Y56 HydrophobicContact CG2-CD2 3.58Å; T28-Y56 HydrophobicContact CG2-CE2 3.83Å; T28-K94 WeakPolarHBondContact CA-O 3.3Å; T28-K94 PolarHBondContact OG1-O 3.46Å; T28-K94 VanDerWaalsContact OG1-O 3.08Å
29	N	89.8	Confident	83.6	Confident	99 Å²	99	49.1 Å²	49.1	53%	0.529	25%	0.253	S	S	.	.	S	Bend	trans	-84.9	9.7	171.8	-65.5	-24.3	0	0	0	113.4	K94 Q96	N29-K94 PolarHBondContact N-O 3.28Å; N29-K94 VanDerWaalsContact N-O 3.14Å; N29-Q96 PolarHBondContact ND2-NE2 3.47Å; N29-Q96 PolarHBondContact OD1-NE2 3.07Å
30	L	90	Very high	85.2	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.037	24%	0.244	C	C	.	.	S	Bend	trans	-79.9	144.6	173.4	-68.2	173.1	0	0	0	110.3	T28 E34 V35 L38 Y56 K94 I95	T28-L30 HydrophobicContact CG2-CB 4.15Å; T28-L30 PolarHBondContact O-N 3.31Å; T28-L30 WeakPolarHBondContact OG1-CB 3.43Å; T28-L30 WeakPolarHBondContact OG1-CG 3.28Å; T28-L30 PolarHBondContact OG1-N 3.39Å; T28-L30 VanDerWaalsContact OG1-N 3.09Å; L30-E34 HydrophobicContact CB-CB 4.01Å; L30-E34 HydrophobicContact CD2-CB 3.81Å; L30-E34 HydrophobicContact CD2-CG 4.27Å; L30-E34 HydrophobicContact CG-CB 4.38Å; L30-V35 HydrophobicContact CB-CG2 3.62Å; L30-V35 HydrophobicContact CD1-CG2 4.23Å; L30-L38 HydrophobicContact CD1-CD2 3.93Å; L30-Y56 VanDerWaalsContact O-CE2 3.24Å; L30-Y56 WeakPolarHBondContact O-CE2 3.33Å; L30-Y56 PolarHBondContact O-OH 3.47Å; L30-K94 HydrophobicContact CD2-CB 3.99Å; L30-K94 HydrophobicContact CD2-CD 3.32Å; L30-K94 HydrophobicContact CD2-CG 4.3Å; L30-K94 HydrophobicContact CG-CB 3.85Å; L30-K94 HydrophobicContact CG-CD 4.05Å; L30-I95 HydrophobicContact CD1-CD1 3.97Å; L30-I95 HydrophobicContact CD1-CG1 4.45Å
31	S	89	Confident	86	Confident	52 Å²	52	49 Å²	49	36%	0.364	27%	0.273	S	S	.	.			trans	-65.8	159.4	165.4	62.6	0	0	0	0	111.6	V33 E34 V35	S31-V33 PolarHBondContact O-N 2.82Å; S31-E34 WeakPolarHBondContact CB-OE2 3.43Å; S31-E34 PolarHBondContact N-OE2 2.89Å; S31-E34 PolarHBondContact O-N 2.97Å; S31-E34 VanDerWaalsContact OG-CG 3.3Å; S31-E34 WeakPolarHBondContact OG-CG 3.47Å; S31-E34 PolarHBondContact OG-N 2.88Å; S31-E34 PolarHBondContact OG-OE2 2.9Å; S31-V35 WeakPolarHBondContact O-CG2 3.45Å; S31-V35 PolarHBondContact O-N 3.4Å
32	E	88.1	Confident	86.5	Confident	84 Å²	84	48.1 Å²	48.1	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-54.5	-39.5	178	-164.5	170.5	141.4	0	0	112.3	V35 N36 V46 S49 Y56	E32-V35 PolarHBondContact O-N 2.99Å; E32-N36 VanDerWaalsContact O-CB 3.31Å; E32-N36 WeakPolarHBondContact O-CB 3.4Å; E32-N36 PolarHBondContact O-N 2.85Å; E32-V46 HydrophobicContact CG-CG1 4.11Å; E32-S49 WeakPolarHBondContact OE2-CB 3.5Å; E32-S49 PolarHBondContact OE2-OG 2.74Å; E32-Y56 HydrophobicContact CB-CD1 4.13Å; E32-Y56 HydrophobicContact CB-CE1 3.45Å; E32-Y56 VanDerWaalsContact CB-CE1 3.45Å; E32-Y56 HydrophobicContact CG-CD1 3.86Å; E32-Y56 HydrophobicContact CG-CE1 3.68Å; E32-Y56 PolarHBondContact N-OH 2.85Å
33	V	88.7	Confident	86.4	Confident	100 Å²	100	44.2 Å²	44.2	61%	0.606	27%	0.27	S	S	*	.	H	α-helix	trans	-64.5	-44.6	177.8	178	0	0	0	0	111.1	S31 N36 N37	S31-V33 PolarHBondContact O-N 2.82Å; V33-N36 PolarHBondContact O-N 2.92Å; V33-N37 WeakPolarHBondContact O-CB 3.44Å; V33-N37 PolarHBondContact O-N 2.82Å; V33-N37 PolarHBondContact O-ND2 3.04Å
34	E	90.5	Very high	86.1	Confident	74 Å²	74	42.4 Å²	42.4	35%	0.346	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.7	-71.4	166.3	113.8	0	0	111.5	L30 S31 N37 L38 K94	L30-E34 HydrophobicContact CB-CB 4.01Å; L30-E34 HydrophobicContact CD2-CB 3.81Å; L30-E34 HydrophobicContact CD2-CG 4.27Å; L30-E34 HydrophobicContact CG-CB 4.38Å; S31-E34 WeakPolarHBondContact CB-OE2 3.43Å; S31-E34 PolarHBondContact N-OE2 2.89Å; S31-E34 PolarHBondContact O-N 2.97Å; S31-E34 VanDerWaalsContact OG-CG 3.3Å; S31-E34 WeakPolarHBondContact OG-CG 3.47Å; S31-E34 PolarHBondContact OG-N 2.88Å; S31-E34 PolarHBondContact OG-OE2 2.9Å; E34-N37 PolarHBondContact O-N 2.83Å; E34-L38 VanDerWaalsContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 PolarHBondContact O-N 2.85Å; E34-K94 IonicContact OE1-NZ 3.78Å; E34-K94 PolarHBondContact OE1-NZ 3.39Å
35	V	88.6	Confident	85.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-47	175.5	176.9	0	0	0	0	110.2	I26 T28 L30 S31 E32 N37 L38 I39 V46 Y56 I58	I26-V35 HydrophobicContact CD1-CG1 4.38Å; T28-V35 HydrophobicContact CG2-CG2 3.72Å; L30-V35 HydrophobicContact CB-CG2 3.62Å; L30-V35 HydrophobicContact CD1-CG2 4.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.45Å; S31-V35 PolarHBondContact O-N 3.4Å; E32-V35 PolarHBondContact O-N 2.99Å; V35-N37 VanDerWaalsContact C-N 3.32Å; V35-N37 PolarHBondContact O-N 3.08Å; V35-L38 WeakPolarHBondContact O-CB 3.44Å; V35-L38 PolarHBondContact O-N 2.82Å; V35-I39 HydrophobicContact CG1-CD1 4.36Å; V35-I39 HydrophobicContact CG1-CG2 4.35Å; V35-I39 WeakPolarHBondContact O-CG1 2.96Å; V35-I39 WeakPolarHBondContact O-CG2 3.31Å; V35-I39 PolarHBondContact O-N 3.47Å; V35-V46 HydrophobicContact CB-CG2 4.34Å; V35-V46 HydrophobicContact CG1-CG2 3.84Å; V35-Y56 HydrophobicContact CG2-CD2 3.77Å; V35-Y56 HydrophobicContact CG2-CE2 4.05Å; V35-Y56 HydrophobicContact CG2-CG 4.32Å; V35-I58 HydrophobicContact CG1-CG2 4.26Å
36	N	87.9	Confident	85.7	Confident	71 Å²	71	46.8 Å²	46.8	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-39.6	179.7	-162.9	42.5	0	0	0	111.8	E32 V33 G40 V46	E32-N36 VanDerWaalsContact O-CB 3.31Å; E32-N36 WeakPolarHBondContact O-CB 3.4Å; E32-N36 PolarHBondContact O-N 2.85Å; V33-N36 PolarHBondContact O-N 2.92Å; N36-G40 VanDerWaalsContact O-CA 3.31Å; N36-G40 WeakPolarHBondContact O-CA 3.29Å; N36-G40 PolarHBondContact O-N 3.47Å; N36-V46 HydrophobicContact CB-CG2 3.99Å
37	N	88.1	Confident	85.3	Confident	114 Å²	114	48 Å²	48	61%	0.61	30%	0.299	S	S	*	.	H	α-helix	trans	-64.7	-43.3	173.6	-71.3	-21.8	0	0	0	112.1	V33 E34 V35	V33-N37 WeakPolarHBondContact O-CB 3.44Å; V33-N37 PolarHBondContact O-N 2.82Å; V33-N37 PolarHBondContact O-ND2 3.04Å; E34-N37 PolarHBondContact O-N 2.83Å; V35-N37 VanDerWaalsContact C-N 3.32Å; V35-N37 PolarHBondContact O-N 3.08Å
38	L	86.3	Confident	85.1	Confident	35 Å²	35	47 Å²	47	18%	0.183	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-46.1	-179.9	179.4	64.6	0	0	0	111.8	L30 E34 V35 F42 I89 H92 I95	L30-L38 HydrophobicContact CD1-CD2 3.93Å; E34-L38 VanDerWaalsContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 PolarHBondContact O-N 2.85Å; V35-L38 WeakPolarHBondContact O-CB 3.44Å; V35-L38 PolarHBondContact O-N 2.82Å; L38-F42 WeakPolarHBondContact O-CD2 3.38Å; L38-I89 HydrophobicContact CD2-CG1 4.43Å; L38-I89 HydrophobicContact CD2-CG2 4.18Å; L38-I89 HydrophobicContact CG-CG1 4.38Å; L38-H92 HydrophobicContact CD2-CB 4.36Å; L38-I95 HydrophobicContact CD2-CD1 4.09Å; L38-I95 HydrophobicContact CD2-CG1 4.27Å
39	I	85	Confident	85	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-85.5	-27.4	-177	72.4	-173.8	0	0	0	112.8	I26 V35 G41 F42 G43 G44 T45 V46 I58 F85 I89	I26-I39 HydrophobicContact CD1-CG2 4.27Å; V35-I39 HydrophobicContact CG1-CD1 4.36Å; V35-I39 HydrophobicContact CG1-CG2 4.35Å; V35-I39 WeakPolarHBondContact O-CG1 2.96Å; V35-I39 WeakPolarHBondContact O-CG2 3.31Å; V35-I39 PolarHBondContact O-N 3.47Å; I39-G41 PolarHBondContact O-N 3Å; I39-F42 PolarHBondContact O-N 2.82Å; I39-G43 PolarHBondContact O-N 2.71Å; I39-G44 PolarHBondContact O-N 2.96Å; I39-G44 VanDerWaalsContact O-N 3.11Å; I39-T45 VanDerWaalsContact CD1-C 3.45Å; I39-V46 HydrophobicContact CD1-CG2 3.7Å; I39-I58 HydrophobicContact CD1-CB 3.93Å; I39-I58 HydrophobicContact CD1-CG2 3.36Å; I39-I58 HydrophobicContact CG2-CD1 4.41Å; I39-I58 HydrophobicContact CG2-CG2 4.43Å; I39-F85 HydrophobicContact CB-CE2 4.07Å; I39-F85 HydrophobicContact CB-CZ 4.42Å; I39-F85 HydrophobicContact CG2-CE2 4.27Å; I39-F85 HydrophobicContact CG2-CZ 4.39Å; I39-I89 HydrophobicContact CG2-CD1 3.67Å
40	G	80	Confident	85.1	Confident	40 Å²	40	43.6 Å²	43.6	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-33.8	-179.3	0	0	0	0	0	112	N36 F42 G43	N36-G40 VanDerWaalsContact O-CA 3.31Å; N36-G40 WeakPolarHBondContact O-CA 3.29Å; N36-G40 PolarHBondContact O-N 3.47Å; G40-F42 PolarHBondContact O-N 3.27Å; G40-G43 PolarHBondContact O-N 3.46Å
41	G	74.7	Confident	84.7	Confident	69 Å²	69	46.8 Å²	46.8	71%	0.711	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.6	172.5	0	0	0	0	0	114.6	I39	I39-G41 PolarHBondContact O-N 3Å
42	F	74	Confident	84.4	Confident	57 Å²	57	47.5 Å²	47.5	25%	0.25	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	3.5	179.3	-57.1	-88.2	0	0	0	113.3	L38 I39 G40 Y60 F85	L38-F42 WeakPolarHBondContact O-CD2 3.38Å; I39-F42 PolarHBondContact O-N 2.82Å; G40-F42 PolarHBondContact O-N 3.27Å; F42-Y60 HydrophobicContact CB-CE2 4.42Å; F42-Y60 WeakPolarHBondContact O-CE2 3.11Å; F42-F85 HydrophobicContact CB-CB 4.4Å; F42-F85 HydrophobicContact CB-CD2 3.33Å; F42-F85 HydrophobicContact CB-CE2 3.82Å; F42-F85 HydrophobicContact CB-CG 4.23Å; F42-F85 HydrophobicContact CD1-CB 4.09Å; F42-F85 HydrophobicContact CD1-CD2 4.13Å; F42-F85 AromaticContact CD2-CD2 3.58Å; F42-F85 HydrophobicContact CD2-CD2 3.58Å; F42-F85 HydrophobicContact CD2-CE2 4.13Å; F42-F85 HydrophobicContact CE2-CD2 4.38Å; F42-F85 HydrophobicContact CG-CB 4.24Å; F42-F85 AromaticContact CG-CD2 3.43Å; F42-F85 HydrophobicContact CG-CD2 3.43Å; F42-F85 VanDerWaalsContact CG-CD2 3.43Å; F42-F85 HydrophobicContact CG-CE2 4.21Å; F42-F85 HydrophobicContact CG-CG 4.32Å
43	G	74.2	Confident	84.2	Confident	53 Å²	53	45.5 Å²	45.5	55%	0.546	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	20.3	-176.3	0	0	0	0	0	114.3	I39 G40	I39-G43 PolarHBondContact O-N 2.71Å; G40-G43 PolarHBondContact O-N 3.46Å
44	G	79.1	Confident	84.2	Confident	2 Å²	2	44.5 Å²	44.5	2%	0.021	28%	0.277	C	S	.	.			trans	-85.4	161.3	165.4	0	0	0	0	0	111.4	I39 S59	I39-G44 PolarHBondContact O-N 2.96Å; I39-G44 VanDerWaalsContact O-N 3.11Å; G44-S59 WeakPolarHBondContact CA-O 3.49Å
45	T	83	Confident	84.3	Confident	76 Å²	76	41.1 Å²	41.1	47%	0.466	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.4	174.2	55.5	0	0	0	0	110	I39 I58 S59	I39-T45 VanDerWaalsContact CD1-C 3.45Å; T45-I58 VanDerWaalsContact O-CA 3.31Å; T45-I58 WeakPolarHBondContact O-CA 3.36Å; T45-S59 PolarHBondContact N-O 3.16Å; T45-S59 PolarHBondContact O-N 2.82Å
46	V	87.1	Confident	84.4	Confident	25 Å²	25	41.8 Å²	41.8	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.8	168.9	-179.9	0	0	0	0	107.6	E32 V35 N36 I39 G48 Y56 E57 I58	E32-V46 HydrophobicContact CG-CG1 4.11Å; V35-V46 HydrophobicContact CB-CG2 4.34Å; V35-V46 HydrophobicContact CG1-CG2 3.84Å; N36-V46 HydrophobicContact CB-CG2 3.99Å; I39-V46 HydrophobicContact CD1-CG2 3.7Å; V46-G48 WeakPolarHBondContact CG1-O 3.46Å; V46-Y56 HydrophobicContact CG1-CD1 4.3Å; V46-E57 CarbonylContact C-O 3.56Å; V46-E57 WeakPolarHBondContact CA-O 3.47Å; V46-I58 HydrophobicContact CG2-CG2 4.28Å
47	T	84.3	Confident	84.6	Confident	26 Å²	26	38.8 Å²	38.8	16%	0.16	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-16.9	178.5	49.9	0	0	0	0	112.6	E57 R295	T47-E57 PolarHBondContact N-O 3.3Å; T47-E57 VanDerWaalsContact OG1-CG 3.25Å; T47-E57 WeakPolarHBondContact OG1-CG 3.37Å; T47-E57 PolarHBondContact OG1-O 3.17Å; T47-E57 PolarHBondContact OG1-OE2 3.24Å; T47-R295 PolarHBondContact O-NH1 2.04Å
48	G	86.6	Confident	84.5	Confident	3 Å²	3	33.4 Å²	33.4	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	166.8	172.7	0	0	0	0	0	113.5	V46 Y56 E57 F291	V46-G48 WeakPolarHBondContact CG1-O 3.46Å; G48-Y56 WeakPolarHBondContact O-CA 2.88Å; G48-E57 PolarHBondContact N-O 2.84Å; G48-E57 PolarHBondContact O-N 3.28Å; G48-F291 VanDerWaalsContact C-CE1 3.49Å
49	S	90.4	Very high	84.2	Confident	26 Å²	26	32 Å²	32	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.1	-179.8	54.2	0	0	0	0	112	E32 Y56	E32-S49 WeakPolarHBondContact OE2-CB 3.5Å; E32-S49 PolarHBondContact OE2-OG 2.74Å; S49-Y56 VanDerWaalsContact CB-CD1 3.48Å
50	L	91.2	Very high	83.6	Confident	1 Å²	1	33 Å²	33	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	77.5	167.1	-66.7	174.7	0	0	0	107.4	Y52 Q53 N54 V55 F291 A294 R295 S298	L50-Y52 VanDerWaalsContact C-N 3.26Å; L50-Y52 HydrophobicContact CB-CE1 4.26Å; L50-Y52 HydrophobicContact CD2-CE1 3.88Å; L50-Y52 PolarHBondContact O-N 3.46Å; L50-Q53 HydrophobicContact CB-CB 4.36Å; L50-Q53 VanDerWaalsContact CD1-OE1 3.31Å; L50-Q53 PolarHBondContact O-N 3.12Å; L50-N54 PolarHBondContact O-N 3.43Å; L50-N54 VanDerWaalsContact O-N 3.17Å; L50-V55 HydrophobicContact CB-CB 4.47Å; L50-V55 PolarHBondContact N-O 2.99Å; L50-V55 PolarHBondContact O-N 3.39Å; L50-F291 HydrophobicContact CB-CE2 4.27Å; L50-F291 HydrophobicContact CB-CZ 4.24Å; L50-F291 HydrophobicContact CD1-CD2 3.89Å; L50-F291 HydrophobicContact CD1-CE2 3.59Å; L50-F291 HydrophobicContact CD1-CZ 4.02Å; L50-F291 HydrophobicContact CG-CD2 4.45Å; L50-F291 HydrophobicContact CG-CE1 4.27Å; L50-F291 HydrophobicContact CG-CE2 3.76Å; L50-F291 HydrophobicContact CG-CZ 3.67Å; L50-A294 HydrophobicContact CD1-CB 3.78Å; L50-R295 HydrophobicContact CD2-CB 4.24Å; L50-S298 WeakPolarHBondContact CD2-OG 3.39Å
51	P	81.1	Confident	82.8	Confident	74 Å²	74	33.4 Å²	33.4	48%	0.481	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-60.9	-33.8	-169.6	-24.8	35	0	0	0	113.5	Q53 N54	P51-Q53 PolarHBondContact O-N 2.81Å; P51-N54 PolarHBondContact O-N 3.48Å; P51-N54 PolarHBondContact O-OD1 3.16Å
52	Y	83.4	Confident	82	Confident	68 Å²	68	34 Å²	34	27%	0.267	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-68	-14.8	178.4	64.3	-86.4	0	0	0	113.5	L50 S298 S330 Y333	L50-Y52 VanDerWaalsContact C-N 3.26Å; L50-Y52 HydrophobicContact CB-CE1 4.26Å; L50-Y52 HydrophobicContact CD2-CE1 3.88Å; L50-Y52 PolarHBondContact O-N 3.46Å; Y52-S298 WeakPolarHBondContact OH-CB 3.35Å; Y52-S298 PolarHBondContact OH-OG 3.27Å; Y52-S298 VanDerWaalsContact OH-OG 3.08Å; Y52-S330 WeakPolarHBondContact OH-CA 3.28Å; Y52-S330 PolarHBondContact OH-OG 3.45Å; Y52-Y333 HydrophobicContact CD1-CD1 4.28Å; Y52-Y333 AromaticContact CD1-CE1 3.99Å; Y52-Y333 HydrophobicContact CD1-CE1 3.99Å; Y52-Y333 AromaticContact CD2-CD1 3.96Å; Y52-Y333 HydrophobicContact CD2-CD1 3.96Å; Y52-Y333 AromaticContact CD2-CD2 3.46Å; Y52-Y333 HydrophobicContact CD2-CD2 3.46Å; Y52-Y333 VanDerWaalsContact CD2-CD2 3.46Å; Y52-Y333 HydrophobicContact CD2-CE1 4.25Å; Y52-Y333 AromaticContact CD2-CE2 3.78Å; Y52-Y333 HydrophobicContact CD2-CE2 3.78Å; Y52-Y333 AromaticContact CD2-CG 3.56Å; Y52-Y333 HydrophobicContact CD2-CG 3.56Å; Y52-Y333 HydrophobicContact CE1-CD1 4.12Å; Y52-Y333 HydrophobicContact CE1-CE1 4.16Å; Y52-Y333 AromaticContact CE2-CD1 3.75Å; Y52-Y333 HydrophobicContact CE2-CD1 3.75Å; Y52-Y333 AromaticContact CE2-CD2 3.9Å; Y52-Y333 HydrophobicContact CE2-CD2 3.9Å; Y52-Y333 HydrophobicContact CE2-CE1 4.38Å; Y52-Y333 AromaticContact CE2-CG 3.48Å; Y52-Y333 HydrophobicContact CE2-CG 3.48Å; Y52-Y333 VanDerWaalsContact CE2-CG 3.48Å; Y52-Y333 HydrophobicContact CG-CD1 4.23Å; Y52-Y333 AromaticContact CG-CD2 3.98Å; Y52-Y333 HydrophobicContact CG-CD2 3.98Å; Y52-Y333 HydrophobicContact CG-CE1 4.05Å; Y52-Y333 AromaticContact CG-CE2 3.79Å; Y52-Y333 HydrophobicContact CG-CE2 3.79Å; Y52-Y333 HydrophobicContact CG-CG 4.19Å; Y52-Y333 AromaticContact CG-CZ 3.85Å; Y52-Y333 AromaticContact CZ-CD1 3.85Å
53	Q	83.1	Confident	80.8	Confident	42 Å²	42	32.7 Å²	32.7	20%	0.196	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-106.8	-3.5	172.2	-61.4	177	-13.3	0	0	112.5	L50 P51 V55	L50-Q53 HydrophobicContact CB-CB 4.36Å; L50-Q53 VanDerWaalsContact CD1-OE1 3.31Å; L50-Q53 PolarHBondContact O-N 3.12Å; P51-Q53 PolarHBondContact O-N 2.81Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 HydrophobicContact CB-CB 4.42Å; Q53-V55 HydrophobicContact CB-CG2 3.68Å; Q53-V55 WeakPolarHBondContact O-CG2 3.49Å; Q53-V55 PolarHBondContact O-N 2.6Å
54	N	89.4	Confident	79.4	Confident	78 Å²	78	36.1 Å²	36.1	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	41.4	-170.8	-63.8	-46.8	0	0	0	112.7	T28 L50 P51	T28-N54 PolarHBondContact N-O 2.93Å; T28-N54 WeakPolarHBondContact O-CB 3.44Å; L50-N54 PolarHBondContact O-N 3.43Å; L50-N54 VanDerWaalsContact O-N 3.17Å; P51-N54 PolarHBondContact O-N 3.48Å; P51-N54 PolarHBondContact O-OD1 3.16Å
55	V	92.5	Very high	77.6	Confident	3 Å²	3	38 Å²	38	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.2	-178.9	-166.6	0	0	0	0	111.2	A25 I26 E27 L50 Q53 F291 Y326	A25-V55 HydrophobicContact CB-CG1 3.98Å; I26-V55 VanDerWaalsContact O-CA 3.31Å; I26-V55 WeakPolarHBondContact O-CA 3.42Å; E27-V55 HydrophobicContact CG-CG1 4.28Å; E27-V55 HydrophobicContact CG-CG2 4Å; L50-V55 HydrophobicContact CB-CB 4.47Å; L50-V55 PolarHBondContact N-O 2.99Å; L50-V55 PolarHBondContact O-N 3.39Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 HydrophobicContact CB-CB 4.42Å; Q53-V55 HydrophobicContact CB-CG2 3.68Å; Q53-V55 WeakPolarHBondContact O-CG2 3.49Å; Q53-V55 PolarHBondContact O-N 2.6Å; V55-F291 HydrophobicContact CB-CE2 4.06Å; V55-F291 HydrophobicContact CG1-CD2 4.22Å; V55-F291 HydrophobicContact CG1-CE2 3.66Å; V55-Y326 HydrophobicContact CB-CE1 4.41Å; V55-Y326 HydrophobicContact CG1-CE1 3.85Å; V55-Y326 HydrophobicContact CG2-CD1 4.49Å; V55-Y326 HydrophobicContact CG2-CE1 3.95Å
56	Y	91.7	Very high	75.8	Confident	14 Å²	14	40.4 Å²	40.4	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.2	176.9	-59.1	-82	0	0	0	110.7	A25 I26 T28 L30 E32 V35 V46 G48 S49	A25-Y56 CarbonylContact C-O 3.52Å; A25-Y56 WeakPolarHBondContact CA-O 3.14Å; I26-Y56 PolarHBondContact N-O 2.71Å; I26-Y56 PolarHBondContact O-N 2.93Å; T28-Y56 HydrophobicContact CG2-CD2 3.58Å; T28-Y56 HydrophobicContact CG2-CE2 3.83Å; L30-Y56 VanDerWaalsContact O-CE2 3.24Å; L30-Y56 WeakPolarHBondContact O-CE2 3.33Å; L30-Y56 PolarHBondContact O-OH 3.47Å; E32-Y56 HydrophobicContact CB-CD1 4.13Å; E32-Y56 HydrophobicContact CB-CE1 3.45Å; E32-Y56 VanDerWaalsContact CB-CE1 3.45Å; E32-Y56 HydrophobicContact CG-CD1 3.86Å; E32-Y56 HydrophobicContact CG-CE1 3.68Å; E32-Y56 PolarHBondContact N-OH 2.85Å; V35-Y56 HydrophobicContact CG2-CD2 3.77Å; V35-Y56 HydrophobicContact CG2-CE2 4.05Å; V35-Y56 HydrophobicContact CG2-CG 4.32Å; V46-Y56 HydrophobicContact CG1-CD1 4.3Å; G48-Y56 WeakPolarHBondContact O-CA 2.88Å; S49-Y56 VanDerWaalsContact CB-CD1 3.48Å
57	E	90.8	Very high	73.6	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.2	168.1	-174.9	-174.9	-120.4	0	0	109.6	Y23 F24 V46 T47 G48 L101 T289 F291	Y23-E57 HydrophobicContact CD1-CG 4.44Å; F24-E57 CarbonylContact O-C 3.52Å; F24-E57 WeakPolarHBondContact O-CA 3.48Å; V46-E57 CarbonylContact C-O 3.56Å; V46-E57 WeakPolarHBondContact CA-O 3.47Å; T47-E57 PolarHBondContact N-O 3.3Å; T47-E57 VanDerWaalsContact OG1-CG 3.25Å; T47-E57 WeakPolarHBondContact OG1-CG 3.37Å; T47-E57 PolarHBondContact OG1-O 3.17Å; T47-E57 PolarHBondContact OG1-OE2 3.24Å; G48-E57 PolarHBondContact N-O 2.84Å; G48-E57 PolarHBondContact O-N 3.28Å; E57-L101 HydrophobicContact CB-CD1 4.41Å; E57-L101 HydrophobicContact CG-CD1 3.67Å; E57-L101 VanDerWaalsContact OE1-CD1 3.31Å; E57-L101 WeakPolarHBondContact OE1-CD1 3.3Å; E57-T289 PolarHBondContact OE1-OG1 3.33Å; E57-F291 HydrophobicContact CB-CB 4.42Å; E57-F291 HydrophobicContact CB-CD1 3.34Å; E57-F291 HydrophobicContact CB-CD2 4.19Å; E57-F291 HydrophobicContact CB-CE1 3.46Å; E57-F291 VanDerWaalsContact CB-CE1 3.46Å; E57-F291 HydrophobicContact CB-CE2 4.28Å; E57-F291 HydrophobicContact CB-CG 3.72Å; E57-F291 HydrophobicContact CB-CZ 3.92Å; E57-F291 HydrophobicContact CG-CD1 4.18Å; E57-F291 HydrophobicContact CG-CG 4.37Å
58	I	86.2	Confident	71.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.4	174.7	63.5	151.7	0	0	0	110.7	Y23 F24 I26 V35 I39 T45 V46 F85	Y23-I58 CarbonylContact C-O 3.53Å; Y23-I58 WeakPolarHBondContact CA-O 3.28Å; F24-I58 HydrophobicContact CB-CD1 4.23Å; F24-I58 HydrophobicContact CB-CG1 3.82Å; F24-I58 PolarHBondContact N-O 3.43Å; F24-I58 WeakPolarHBondContact O-CG1 3.48Å; F24-I58 PolarHBondContact O-N 3.22Å; I26-I58 HydrophobicContact CD1-CB 4.47Å; I26-I58 HydrophobicContact CD1-CD1 3.59Å; I26-I58 HydrophobicContact CD1-CG1 3.87Å; I26-I58 HydrophobicContact CD1-CG2 3.77Å; I26-I58 HydrophobicContact CG1-CD1 4.16Å; I26-I58 HydrophobicContact CG1-CG1 4.07Å; I26-I58 HydrophobicContact CG1-CG2 4.34Å; V35-I58 HydrophobicContact CG1-CG2 4.26Å; I39-I58 HydrophobicContact CD1-CB 3.93Å; I39-I58 HydrophobicContact CD1-CG2 3.36Å; I39-I58 HydrophobicContact CG2-CD1 4.41Å; I39-I58 HydrophobicContact CG2-CG2 4.43Å; T45-I58 VanDerWaalsContact O-CA 3.31Å; T45-I58 WeakPolarHBondContact O-CA 3.36Å; V46-I58 HydrophobicContact CG2-CG2 4.28Å; I58-F85 HydrophobicContact CD1-CE1 4.17Å; I58-F85 HydrophobicContact CD1-CZ 3.75Å
59	S	80.6	Confident	68.8	Low	7 Å²	7	57.5 Å²	57.5	5%	0.049	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.8	172.9	-179.6	0	0	0	0	110.6	H21 R22 G44 T45	H21-S59 PolarHBondContact ND1-OG 3.15Å; R22-S59 WeakPolarHBondContact O-CA 3.48Å; G44-S59 WeakPolarHBondContact CA-O 3.49Å; T45-S59 PolarHBondContact N-O 3.16Å; T45-S59 PolarHBondContact O-N 2.82Å
60	Y	72.4	Confident	66.5	Low	21 Å²	21	60.9 Å²	60.9	8%	0.082	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.6	174.7	-170.5	-87.1	0	0	0	111.3	R22 F42 K62 F85	R22-Y60 PolarHBondContact N-O 3.02Å; R22-Y60 PolarHBondContact O-N 2.92Å; F42-Y60 HydrophobicContact CB-CE2 4.42Å; F42-Y60 WeakPolarHBondContact O-CE2 3.11Å; Y60-K62 HydrophobicContact CD1-CB 4.33Å; Y60-K62 PolarHBondContact O-N 3.08Å; Y60-F85 HydrophobicContact CD2-CD1 4.5Å; Y60-F85 HydrophobicContact CD2-CE1 4.26Å; Y60-F85 HydrophobicContact CD2-CE2 4.42Å; Y60-F85 HydrophobicContact CD2-CZ 4.2Å
61	S	63.9	Low	64.2	Low	47 Å²	47	68.7 Å²	68.7	33%	0.329	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	97.4	177	62.1	0	0	0	0	111.6	C63	S61-C63 PolarHBondContact O-N 3.16Å
62	K	57.3	Low	62.4	Low	81 Å²	81	67.8 Å²	67.8	35%	0.352	35%	0.354	S	S	.	.			trans	-95.3	66.1	178.4	-163.8	175.7	-177.3	167.9	0	110.9	C20 Y60 N64 H82	C20-K62 PolarHBondContact O-N 2.84Å; Y60-K62 HydrophobicContact CD1-CB 4.33Å; Y60-K62 PolarHBondContact O-N 3.08Å; K62-N64 PolarHBondContact O-N 2.76Å; K62-H82 PolarHBondContact NZ-CD2 3.33Å; K62-H82 PolarHBondContact NZ-NE2 2.55Å
63	C	48.4	Very low	60.5	Low	31 Å²	31	70 Å²	70	21%	0.209	38%	0.38	C	S	.	.			trans	-73.4	118.1	173.1	-74.8	0	0	0	0	111.7	C20 S61	C20-C63 HydrophobicContact CB-CB 4.13Å; C20-C63 WeakPolarHBondContact CB-SG 3.26Å; C20-C63 WeakPolarHBondContact SG-CA 3.19Å; C20-C63 WeakPolarHBondContact SG-CB 3.36Å; C20-C63 CovalentContact SG-SG 2.06Å; C20-C63 PolarHBondContact SG-SG 3.46Å; S61-C63 PolarHBondContact O-N 3.16Å
64	N	44.3	Very low	58.5	Low	125 Å²	125	73.2 Å²	73.2	67%	0.668	40%	0.398	S	S	*	.			trans	-77	125.3	167.8	-158.6	-0.4	0	0	0	109	K62 N66 K67	K62-N64 PolarHBondContact O-N 2.76Å; N64-N66 PolarHBondContact O-N 2.95Å; N64-K67 PolarHBondContact O-N 2.89Å
65	K	42.4	Very low	56	Low	40 Å²	40	76.2 Å²	76.2	17%	0.174	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-64.9	-7	-166.3	-73.9	175.9	179.2	138.1	0	115.8	K67 W68 L74 R75	K65-K67 PolarHBondContact O-N 3.43Å; K65-W68 PolarHBondContact O-N 3.32Å; K65-L74 WeakPolarHBondContact CE-O 3.16Å; K65-L74 PolarHBondContact NZ-O 2.95Å; K65-R75 VanDerWaalsContact CD-CA 3.49Å; K65-R75 HydrophobicContact CD-CB 4.4Å; K65-R75 HydrophobicContact CD-CG 4.29Å; K65-R75 WeakPolarHBondContact CD-O 3.49Å; K65-R75 PolarHBondContact NZ-O 2.88Å
66	N	44.1	Very low	53.4	Low	127 Å²	127	87.2 Å²	87.2	68%	0.679	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-68.8	-12.1	177.9	-66.6	-5.3	0	0	0	113.5	N64	N64-N66 PolarHBondContact O-N 2.95Å
67	K	41.6	Very low	51.3	Low	137 Å²	137	89.5 Å²	89.5	60%	0.596	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-93.2	4.8	173.3	-71.1	-168.1	178.2	-176.1	0	114.6	V16 N64 K65	V16-K67 HydrophobicContact CG1-CB 4.42Å; N64-K67 PolarHBondContact O-N 2.89Å; K65-K67 PolarHBondContact O-N 3.43Å
68	W	32.8	Very low	49.2	Very low	172 Å²	172	95.4 Å²	95.4	65%	0.652	48%	0.484	S	S	*	.	S	Bend	trans	-112.7	137.2	176.9	-95.5	24.7	0	0	0	112	K65 S70	K65-W68 PolarHBondContact O-N 3.32Å; W68-S70 PolarHBondContact O-N 3.41Å
69	P	38	Very low	47.3	Very low	105 Å²	105	104.4 Å²	104.4	68%	0.682	52%	0.518	S	S	*	.			trans	-61.2	124.1	179	-16.9	29.7	0	0	0	111.7	F71	P69-F71 PolarHBondContact O-N 3Å
70	S	42.3	Very low	46	Very low	96 Å²	96	107.2 Å²	107.2	67%	0.671	54%	0.537	S	S	*	.	S	Bend	trans	16.5	80.5	160.4	58.7	0	0	0	0	119.6	W68	W68-S70 PolarHBondContact O-N 3.41Å
71	F	41.4	Very low	45.3	Very low	165 Å²	165	109.4 Å²	109.4	72%	0.724	55%	0.55	S	S	*	.			trans	-135.2	107	149.2	-76.5	-80	0	0	0	110.2	P69	P69-F71 PolarHBondContact O-N 3Å
72	G	43.3	Very low	45.2	Very low	55 Å²	55	107.9 Å²	107.9	57%	0.567	54%	0.538	S	S	*	.	S	Bend	trans	-74.2	-30.3	-166.8	0	0	0	0	0	116	L74 R75	G72-L74 PolarHBondContact O-N 3.22Å; G72-R75 WeakPolarHBondContact O-CB 3.37Å; G72-R75 PolarHBondContact O-N 2.9Å
73	S	43.3	Very low	45.6	Very low	116 Å²	116	108.6 Å²	108.6	81%	0.811	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-26.3	-175.4	55.5	0	0	0	0	113.5	R75	S73-R75 VanDerWaalsContact C-N 3.27Å; S73-R75 PolarHBondContact O-N 3.28Å
74	L	41.4	Very low	46.4	Very low	109 Å²	109	110.1 Å²	110.1	57%	0.571	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-12.3	175.9	-88.1	120.8	0	0	0	112.8	K65 G72 R76	K65-L74 WeakPolarHBondContact CE-O 3.16Å; K65-L74 PolarHBondContact NZ-O 2.95Å; G72-L74 PolarHBondContact O-N 3.22Å; L74-R76 PolarHBondContact O-N 3.23Å
75	R	36.9	Very low	47.7	Very low	141 Å²	141	104.3 Å²	104.3	53%	0.532	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-40.7	-166.5	-80.2	-177.2	174.1	178.4	-1.9	116.2	K65 G72 S73	K65-R75 VanDerWaalsContact CD-CA 3.49Å; K65-R75 HydrophobicContact CD-CB 4.4Å; K65-R75 HydrophobicContact CD-CG 4.29Å; K65-R75 WeakPolarHBondContact CD-O 3.49Å; K65-R75 PolarHBondContact NZ-O 2.88Å; G72-R75 WeakPolarHBondContact O-CB 3.37Å; G72-R75 PolarHBondContact O-N 2.9Å; S73-R75 VanDerWaalsContact C-N 3.27Å; S73-R75 PolarHBondContact O-N 3.28Å
76	R	38.1	Very low	49	Very low	234 Å²	234	104 Å²	104	88%	0.883	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-29	-174.4	-83.5	179.7	173	169.7	-2.6	115.8	L74 R78	L74-R76 PolarHBondContact O-N 3.23Å; R76-R78 PolarHBondContact O-N 2.85Å
77	S	48.3	Very low	50.4	Low	61 Å²	61	104.3 Å²	104.3	43%	0.427	52%	0.516	S	S	.	.	H	α-helix	trans	-68.1	-33.9	-165	71.7	0	0	0	0	116.6	I81	S77-I81 WeakPolarHBondContact O-CG1 3.06Å; S77-I81 PolarHBondContact O-N 3.45Å
78	R	45.4	Very low	52	Low	132 Å²	132	99.9 Å²	99.9	50%	0.498	50%	0.502	S	S	.	.	H	α-helix	trans	-83.8	-27.1	-171.4	-77.3	-167.9	179.7	-178	-0.5	115.2	R76 S80 I81 H82	R76-R78 PolarHBondContact O-N 2.85Å; R78-S80 VanDerWaalsContact C-N 3.32Å; R78-I81 HydrophobicContact CG-CD1 4.37Å; R78-I81 PolarHBondContact O-N 3.1Å; R78-H82 PolarHBondContact O-N 2.74Å
79	R	47.7	Very low	54.2	Low	191 Å²	191	91.7 Å²	91.7	72%	0.721	47%	0.471	S	S	*	.	H	α-helix	trans	-67.2	-40.9	175.8	-168.3	174.5	179.3	165.4	1.4	110	H82 E83	R79-H82 PolarHBondContact O-N 3.38Å; R79-E83 IonicContact NE-OE1 2.6Å; R79-E83 PolarHBondContact NE-OE1 2.94Å; R79-E83 PolarHBondContact O-N 3.33Å
80	S	52.8	Low	56.2	Low	65 Å²	65	92.4 Å²	92.4	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-54.4	-49.9	168.8	150.5	0	0	0	0	111.5	R78 H82 E83 T84	R78-S80 VanDerWaalsContact C-N 3.32Å; S80-H82 VanDerWaalsContact C-N 3.31Å; S80-H82 PolarHBondContact O-N 2.83Å; S80-E83 PolarHBondContact O-N 2.84Å; S80-T84 VanDerWaalsContact O-CB 3.3Å; S80-T84 WeakPolarHBondContact O-CB 3.32Å; S80-T84 PolarHBondContact O-N 2.87Å; S80-T84 PolarHBondContact O-OG1 2.73Å
81	I	58.7	Low	58.2	Low	67 Å²	67	92 Å²	92	34%	0.344	46%	0.461	S	S	.	.	H	α-helix	trans	-57.5	-39	-178.8	-65.9	165	0	0	0	113.1	S77 R78 F85	S77-I81 WeakPolarHBondContact O-CG1 3.06Å; S77-I81 PolarHBondContact O-N 3.45Å; R78-I81 HydrophobicContact CG-CD1 4.37Å; R78-I81 PolarHBondContact O-N 3.1Å; I81-F85 WeakPolarHBondContact O-CB 3.49Å; I81-F85 PolarHBondContact O-N 3.44Å
82	H	60.5	Low	60.3	Low	16 Å²	16	86.7 Å²	86.7	7%	0.074	44%	0.438	C	S	.	.	H	α-helix	trans	-73.8	-40.8	179.9	177.5	76	0	0	0	113.3	K62 R78 R79 S80 T84 F85 Q86	K62-H82 PolarHBondContact NZ-CD2 3.33Å; K62-H82 PolarHBondContact NZ-NE2 2.55Å; R78-H82 PolarHBondContact O-N 2.74Å; R79-H82 PolarHBondContact O-N 3.38Å; S80-H82 VanDerWaalsContact C-N 3.31Å; S80-H82 PolarHBondContact O-N 2.83Å; H82-T84 VanDerWaalsContact C-N 3.35Å; H82-F85 WeakPolarHBondContact O-CB 3.16Å; H82-F85 PolarHBondContact O-N 2.96Å; H82-Q86 PolarHBondContact O-N 3.07Å
83	E	65.1	Low	62.5	Low	96 Å²	96	90.1 Å²	90.1	45%	0.449	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-46	174.6	-74.7	163	-167.9	0	0	109.2	R79 S80 F85 Q86 E87	R79-E83 IonicContact NE-OE1 2.6Å; R79-E83 PolarHBondContact NE-OE1 2.94Å; R79-E83 PolarHBondContact O-N 3.33Å; S80-E83 PolarHBondContact O-N 2.84Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.27Å; E83-Q86 PolarHBondContact O-N 2.99Å; E83-E87 WeakPolarHBondContact O-CB 3.24Å; E83-E87 WeakPolarHBondContact O-CG 3.39Å; E83-E87 PolarHBondContact O-N 3.37Å
84	T	67.2	Low	64.7	Low	63 Å²	63	88.8 Å²	88.8	39%	0.387	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-38	172.6	-54.1	0	0	0	0	112.8	S80 H82 S88	S80-T84 VanDerWaalsContact O-CB 3.3Å; S80-T84 WeakPolarHBondContact O-CB 3.32Å; S80-T84 PolarHBondContact O-N 2.87Å; S80-T84 PolarHBondContact O-OG1 2.73Å; H82-T84 VanDerWaalsContact C-N 3.35Å; T84-S88 WeakPolarHBondContact O-CA 3.48Å; T84-S88 WeakPolarHBondContact O-CB 3.48Å; T84-S88 PolarHBondContact O-N 3.46Å
85	F	70.2	Confident	66.9	Low	2 Å²	2	84.5 Å²	84.5	1%	0.009	41%	0.407	C	S	.	.	H	α-helix	trans	-63.6	-50.8	174.8	167.5	-102.9	0	0	0	111.5	I39 F42 I58 Y60 I81 H82 E83 E87 S88 I89	I39-F85 HydrophobicContact CB-CE2 4.07Å; I39-F85 HydrophobicContact CB-CZ 4.42Å; I39-F85 HydrophobicContact CG2-CE2 4.27Å; I39-F85 HydrophobicContact CG2-CZ 4.39Å; F42-F85 HydrophobicContact CB-CB 4.4Å; F42-F85 HydrophobicContact CB-CD2 3.33Å; F42-F85 HydrophobicContact CB-CE2 3.82Å; F42-F85 HydrophobicContact CB-CG 4.23Å; F42-F85 HydrophobicContact CD1-CB 4.09Å; F42-F85 HydrophobicContact CD1-CD2 4.13Å; F42-F85 AromaticContact CD2-CD2 3.58Å; F42-F85 HydrophobicContact CD2-CD2 3.58Å; F42-F85 HydrophobicContact CD2-CE2 4.13Å; F42-F85 HydrophobicContact CE2-CD2 4.38Å; F42-F85 HydrophobicContact CG-CB 4.24Å; F42-F85 AromaticContact CG-CD2 3.43Å; F42-F85 HydrophobicContact CG-CD2 3.43Å; F42-F85 VanDerWaalsContact CG-CD2 3.43Å; F42-F85 HydrophobicContact CG-CE2 4.21Å; F42-F85 HydrophobicContact CG-CG 4.32Å; I58-F85 HydrophobicContact CD1-CE1 4.17Å; I58-F85 HydrophobicContact CD1-CZ 3.75Å; Y60-F85 HydrophobicContact CD2-CD1 4.5Å; Y60-F85 HydrophobicContact CD2-CE1 4.26Å; Y60-F85 HydrophobicContact CD2-CE2 4.42Å; Y60-F85 HydrophobicContact CD2-CZ 4.2Å; I81-F85 WeakPolarHBondContact O-CB 3.49Å; I81-F85 PolarHBondContact O-N 3.44Å; H82-F85 WeakPolarHBondContact O-CB 3.16Å; H82-F85 PolarHBondContact O-N 2.96Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.27Å; F85-E87 VanDerWaalsContact C-N 3.32Å; F85-E87 PolarHBondContact O-N 2.94Å; F85-S88 PolarHBondContact O-N 3.33Å; F85-I89 HydrophobicContact CD1-CD1 4.21Å; F85-I89 HydrophobicContact CD2-CD1 3.49Å; F85-I89 VanDerWaalsContact CD2-CD1 3.49Å; F85-I89 HydrophobicContact CD2-CG1 4.21Å; F85-I89 HydrophobicContact CE1-CD1 3.76Å; F85-I89 HydrophobicContact CE2-CD1 3.06Å; F85-I89 HydrophobicContact CE2-CG1 4.19Å; F85-I89 HydrophobicContact CG-CD1 4.1Å; F85-I89 HydrophobicContact CZ-CD1 3.19Å; F85-I89 WeakPolarHBondContact O-CG1 3.44Å; F85-I89 PolarHBondContact O-N 3.38Å
86	Q	69.5	Low	69.5	Low	34 Å²	34	83.6 Å²	83.6	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-61.5	-43	177.9	-76.3	-108	-46.3	0	0	110.7	F24 H82 E83 K90	F24-Q86 VanDerWaalsContact CE1-NE2 3.34Å; H82-Q86 PolarHBondContact O-N 3.07Å; E83-Q86 PolarHBondContact O-N 2.99Å; Q86-K90 WeakPolarHBondContact O-CB 3.38Å; Q86-K90 WeakPolarHBondContact O-CD 3.04Å; Q86-K90 WeakPolarHBondContact O-CG 3.45Å; Q86-K90 PolarHBondContact O-N 3.44Å; Q86-K90 VanDerWaalsContact OE1-NZ 3.07Å
87	E	73.8	Confident	71.8	Confident	134 Å²	134	76.5 Å²	76.5	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-64.3	-44.5	175.6	-74.5	174.4	175.3	0	0	112	E83 F85 I89 K90 S91	E83-E87 WeakPolarHBondContact O-CB 3.24Å; E83-E87 WeakPolarHBondContact O-CG 3.39Å; E83-E87 PolarHBondContact O-N 3.37Å; F85-E87 VanDerWaalsContact C-N 3.32Å; F85-E87 PolarHBondContact O-N 2.94Å; E87-I89 PolarHBondContact O-N 3.4Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-S91 VanDerWaalsContact O-CB 3.27Å; E87-S91 WeakPolarHBondContact O-CB 3.38Å; E87-S91 PolarHBondContact O-N 3.15Å; E87-S91 PolarHBondContact O-OG 3.17Å
88	S	75.8	Confident	73.7	Confident	44 Å²	44	74.7 Å²	74.7	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-38	-179	-176.7	0	0	0	0	112.5	T84 F85 S91	T84-S88 WeakPolarHBondContact O-CA 3.48Å; T84-S88 WeakPolarHBondContact O-CB 3.48Å; T84-S88 PolarHBondContact O-N 3.46Å; F85-S88 PolarHBondContact O-N 3.33Å; S88-S91 WeakPolarHBondContact CA-OG 3.32Å; S88-S91 PolarHBondContact O-OG 3.36Å; S88-S91 VanDerWaalsContact O-OG 3.1Å
89	I	79.5	Confident	75.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-78.4	-42.6	177.8	-60.2	175.8	0	0	0	110.1	I26 L38 I39 F85 E87 S91 H92 I95 I98	I26-I89 HydrophobicContact CD1-CG2 4.28Å; L38-I89 HydrophobicContact CD2-CG1 4.43Å; L38-I89 HydrophobicContact CD2-CG2 4.18Å; L38-I89 HydrophobicContact CG-CG1 4.38Å; I39-I89 HydrophobicContact CG2-CD1 3.67Å; F85-I89 HydrophobicContact CD1-CD1 4.21Å; F85-I89 HydrophobicContact CD2-CD1 3.49Å; F85-I89 VanDerWaalsContact CD2-CD1 3.49Å; F85-I89 HydrophobicContact CD2-CG1 4.21Å; F85-I89 HydrophobicContact CE1-CD1 3.76Å; F85-I89 HydrophobicContact CE2-CD1 3.06Å; F85-I89 HydrophobicContact CE2-CG1 4.19Å; F85-I89 HydrophobicContact CG-CD1 4.1Å; F85-I89 HydrophobicContact CZ-CD1 3.19Å; F85-I89 WeakPolarHBondContact O-CG1 3.44Å; F85-I89 PolarHBondContact O-N 3.38Å; E87-I89 PolarHBondContact O-N 3.4Å; I89-S91 PolarHBondContact O-N 3.04Å; I89-H92 VanDerWaalsContact O-CB 3.28Å; I89-H92 WeakPolarHBondContact O-CB 3.36Å; I89-H92 PolarHBondContact O-N 2.98Å; I89-I95 HydrophobicContact CG2-CD1 3.82Å; I89-I95 HydrophobicContact CG2-CG1 3.86Å; I89-I95 HydrophobicContact CG2-CG2 4.27Å; I89-I95 WeakPolarHBondContact O-CG1 3.33Å; I89-I98 HydrophobicContact CB-CD1 3.7Å; I89-I98 HydrophobicContact CG2-CD1 3.31Å; I89-I98 HydrophobicContact CG2-CG1 4.26Å
90	K	79.5	Confident	77.4	Confident	119 Å²	119	66.5 Å²	66.5	52%	0.517	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-26.9	177.8	-72.7	176.3	-175.9	177.6	0	113.1	Q86 E87 H92 I98	Q86-K90 WeakPolarHBondContact O-CB 3.38Å; Q86-K90 WeakPolarHBondContact O-CD 3.04Å; Q86-K90 WeakPolarHBondContact O-CG 3.45Å; Q86-K90 PolarHBondContact O-N 3.44Å; Q86-K90 VanDerWaalsContact OE1-NZ 3.07Å; E87-K90 PolarHBondContact O-N 3.08Å; K90-H92 VanDerWaalsContact C-N 3.34Å; K90-I98 HydrophobicContact CG-CD1 3.67Å; K90-I98 HydrophobicContact CG-CG1 4.32Å
91	S	84.2	Confident	79	Confident	88 Å²	88	64.6 Å²	64.6	62%	0.615	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.8	175.2	55	0	0	0	0	113.8	E87 S88 I89	E87-S91 VanDerWaalsContact O-CB 3.27Å; E87-S91 WeakPolarHBondContact O-CB 3.38Å; E87-S91 PolarHBondContact O-N 3.15Å; E87-S91 PolarHBondContact O-OG 3.17Å; S88-S91 WeakPolarHBondContact CA-OG 3.32Å; S88-S91 PolarHBondContact O-OG 3.36Å; S88-S91 VanDerWaalsContact O-OG 3.1Å; I89-S91 PolarHBondContact O-N 3.04Å
92	H	86.3	Confident	80.1	Confident	54 Å²	54	66.4 Å²	66.4	25%	0.25	34%	0.344	C	S	.	.	S	Bend	trans	-71.2	126.5	179.7	-172.3	-74.7	0	0	0	110.3	L38 I89 K90 K94 I95	L38-H92 HydrophobicContact CD2-CB 4.36Å; I89-H92 VanDerWaalsContact O-CB 3.28Å; I89-H92 WeakPolarHBondContact O-CB 3.36Å; I89-H92 PolarHBondContact O-N 2.98Å; K90-H92 VanDerWaalsContact C-N 3.34Å; H92-K94 PolarHBondContact ND1-N 3.01Å; H92-K94 PolarHBondContact O-N 2.91Å; H92-K94 VanDerWaalsContact O-N 3.08Å; H92-I95 HydrophobicContact CB-CB 4.39Å; H92-I95 HydrophobicContact CB-CG1 3.72Å; H92-I95 WeakPolarHBondContact O-CB 3.34Å; H92-I95 PolarHBondContact O-N 2.89Å
93	P	88.7	Confident	81.2	Confident	126 Å²	126	70.8 Å²	70.8	82%	0.818	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20	-166.5	25.1	-35.9	0	0	0	115.1
94	K	90	Very high	82.2	Confident	89 Å²	89	67.4 Å²	67.4	39%	0.387	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.6	176.5	-67.5	179.5	174.1	-176.1	0	114.1	T28 N29 L30 E34 H92	T28-K94 WeakPolarHBondContact CA-O 3.3Å; T28-K94 PolarHBondContact OG1-O 3.46Å; T28-K94 VanDerWaalsContact OG1-O 3.08Å; N29-K94 PolarHBondContact N-O 3.28Å; N29-K94 VanDerWaalsContact N-O 3.14Å; L30-K94 HydrophobicContact CD2-CB 3.99Å; L30-K94 HydrophobicContact CD2-CD 3.32Å; L30-K94 HydrophobicContact CD2-CG 4.3Å; L30-K94 HydrophobicContact CG-CB 3.85Å; L30-K94 HydrophobicContact CG-CD 4.05Å; E34-K94 IonicContact OE1-NZ 3.78Å; E34-K94 PolarHBondContact OE1-NZ 3.39Å; H92-K94 PolarHBondContact ND1-N 3.01Å; H92-K94 PolarHBondContact O-N 2.91Å; H92-K94 VanDerWaalsContact O-N 3.08Å
95	I	88	Confident	83	Confident	18 Å²	18	69.2 Å²	69.2	9%	0.092	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.3	176.2	-61.5	-75.1	0	0	0	107.1	I26 L30 L38 I89 H92 I98	I26-I95 HydrophobicContact CG2-CD1 3.41Å; I26-I95 VanDerWaalsContact CG2-CD1 3.41Å; I26-I95 HydrophobicContact CG2-CG2 4.34Å; L30-I95 HydrophobicContact CD1-CD1 3.97Å; L30-I95 HydrophobicContact CD1-CG1 4.45Å; L38-I95 HydrophobicContact CD2-CD1 4.09Å; L38-I95 HydrophobicContact CD2-CG1 4.27Å; I89-I95 HydrophobicContact CG2-CD1 3.82Å; I89-I95 HydrophobicContact CG2-CG1 3.86Å; I89-I95 HydrophobicContact CG2-CG2 4.27Å; I89-I95 WeakPolarHBondContact O-CG1 3.33Å; H92-I95 HydrophobicContact CB-CB 4.39Å; H92-I95 HydrophobicContact CB-CG1 3.72Å; H92-I95 WeakPolarHBondContact O-CB 3.34Å; H92-I95 PolarHBondContact O-N 2.89Å; I95-I98 HydrophobicContact CG2-CD1 4.23Å; I95-I98 HydrophobicContact CG2-CG1 3.78Å
96	Q	89.6	Confident	83.7	Confident	122 Å²	122	70.6 Å²	70.6	57%	0.57	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	-45.9	179.8	-60.2	176.8	8.4	0	0	110.1	E27 N29	E27-Q96 HydrophobicContact CB-CB 4.46Å; E27-Q96 WeakPolarHBondContact O-CB 3.21Å; E27-Q96 PolarHBondContact O-N 2.87Å; N29-Q96 PolarHBondContact ND2-NE2 3.47Å; N29-Q96 PolarHBondContact OD1-NE2 3.07Å
97	E	88.3	Confident	84.5	Confident	86 Å²	86	73.1 Å²	73.1	40%	0.402	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150	-177.7	-155.2	171.4	178.7	0	0	112.3	I26 E27 K99	I26-E97 WeakPolarHBondContact CA-O 3.09Å; E27-E97 HydrophobicContact CB-CB 4.18Å; E27-E97 HydrophobicContact CG-CB 4.35Å; E27-E97 PolarHBondContact N-O 3.4Å; E27-E97 PolarHBondContact O-N 2.84Å; E97-K99 VanDerWaalsContact CD-NZ 3.3Å; E97-K99 HydrophobicContact CG-CG 4.21Å; E97-K99 WeakPolarHBondContact OE1-CE 3.34Å; E97-K99 IonicContact OE1-NZ 2.77Å; E97-K99 WeakPolarHBondContact OE2-CE 3.42Å; E97-K99 IonicContact OE2-NZ 3.84Å; E97-K99 PolarHBondContact OE2-NZ 3.39Å
98	I	86.3	Confident	85.2	Confident	23 Å²	23	68.7 Å²	68.7	12%	0.118	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	115.3	170.1	-50.6	177.8	0	0	0	108.5	F24 A25 I26 I89 K90 I95	F24-I98 HydrophobicContact CB-CG2 4.05Å; F24-I98 HydrophobicContact CD1-CG2 4.08Å; F24-I98 HydrophobicContact CG-CG2 4.38Å; A25-I98 CarbonylContact O-C 3.59Å; A25-I98 WeakPolarHBondContact O-CA 3.28Å; I26-I98 HydrophobicContact CG1-CG1 4.33Å; I26-I98 HydrophobicContact CG1-CG2 4.29Å; I89-I98 HydrophobicContact CB-CD1 3.7Å; I89-I98 HydrophobicContact CG2-CD1 3.31Å; I89-I98 HydrophobicContact CG2-CG1 4.26Å; K90-I98 HydrophobicContact CG-CD1 3.67Å; K90-I98 HydrophobicContact CG-CG1 4.32Å; I95-I98 HydrophobicContact CG2-CD1 4.23Å; I95-I98 HydrophobicContact CG2-CG1 3.78Å
99	K	86	Confident	85.4	Confident	56 Å²	56	66.7 Å²	66.7	24%	0.243	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.4	-179	-70.9	178.7	174.7	133.3	0	110.9	F24 A25 E27 E97 L101	F24-K99 CarbonylContact C-O 3.55Å; F24-K99 WeakPolarHBondContact CA-O 3.43Å; F24-K99 WeakPolarHBondContact CB-O 3.43Å; A25-K99 PolarHBondContact N-O 3.1Å; A25-K99 PolarHBondContact O-N 2.91Å; E27-K99 IonicContact OE1-NZ 2.71Å; E27-K99 PolarHBondContact OE1-NZ 3.4Å; E97-K99 VanDerWaalsContact CD-NZ 3.3Å; E97-K99 HydrophobicContact CG-CG 4.21Å; E97-K99 WeakPolarHBondContact OE1-CE 3.34Å; E97-K99 IonicContact OE1-NZ 2.77Å; E97-K99 WeakPolarHBondContact OE2-CE 3.42Å; E97-K99 IonicContact OE2-NZ 3.84Å; E97-K99 PolarHBondContact OE2-NZ 3.39Å; K99-L101 PolarHBondContact O-N 3.49Å
100	P	85.5	Confident	84.8	Confident	94 Å²	94	70.3 Å²	70.3	61%	0.61	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	129.9	168	28	-32	0	0	0	109.7	F24	F24-P100 VanDerWaalsContact CD1-CA 3.49Å; F24-P100 HydrophobicContact CD1-CB 3.93Å; F24-P100 HydrophobicContact CE1-CB 3.84Å
101	L	86.5	Confident	83.6	Confident	25 Å²	25	66.1 Å²	66.1	13%	0.131	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-88.4	141	173.8	-68.2	170.1	0	0	0	109.7	Y23 A25 E57 K99 T289 F291 Y326	Y23-L101 PolarHBondContact O-N 3.29Å; A25-L101 HydrophobicContact CB-CD1 4.13Å; A25-L101 HydrophobicContact CB-CD2 3.99Å; A25-L101 HydrophobicContact CB-CG 4.08Å; E57-L101 HydrophobicContact CB-CD1 4.41Å; E57-L101 HydrophobicContact CG-CD1 3.67Å; E57-L101 VanDerWaalsContact OE1-CD1 3.31Å; E57-L101 WeakPolarHBondContact OE1-CD1 3.3Å; K99-L101 PolarHBondContact O-N 3.49Å; L101-T289 HydrophobicContact CB-CG2 4.22Å; L101-F291 HydrophobicContact CD1-CB 3.68Å; L101-F291 HydrophobicContact CD1-CG 4.39Å; L101-F291 HydrophobicContact CD2-CB 4.33Å; L101-Y326 HydrophobicContact CD2-CD2 4.39Å; L101-Y326 HydrophobicContact CD2-CE2 4.06Å
102	K	82.6	Confident	81.8	Confident	105 Å²	105	67.9 Å²	67.9	46%	0.457	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-96.7	148.4	174.4	-67.7	-178.8	177.3	-177.4	0	109.6	T289 N544	K102-T289 WeakPolarHBondContact O-CG2 3.36Å; K102-N544 PolarHBondContact NZ-OD1 2.83Å
103	I	83.4	Confident	80	Confident	108 Å²	108	71.4 Å²	71.4	55%	0.554	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-77.1	122.8	164.8	-58.6	169.5	0	0	0	106.2	P287 V288	I103-P287 HydrophobicContact CD1-CB 3.84Å; I103-P287 HydrophobicContact CD1-CG 4.46Å; I103-P287 HydrophobicContact CG1-CB 3.88Å; I103-P287 HydrophobicContact CG2-CB 4.01Å; I103-V288 CarbonylContact C-O 3.48Å; I103-V288 WeakPolarHBondContact CA-O 3.11Å
104	L	86.1	Confident	77.9	Confident	25 Å²	25	68.2 Å²	68.2	13%	0.131	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-86.5	152.9	178.5	-55.1	179.9	0	0	0	109.6	V106 V288 D290 E293	L104-V106 HydrophobicContact CB-CG2 4.01Å; L104-V288 PolarHBondContact N-O 2.65Å; L104-D290 HydrophobicContact CD1-CB 4.37Å; L104-E293 WeakPolarHBondContact CD1-OE1 3.45Å
105	N	82.6	Confident	76	Confident	102 Å²	102	66.5 Å²	66.5	55%	0.545	34%	0.338	S	S	.	.			trans	-92.8	101.7	170.9	-166.3	48.8	0	0	0	108.3	E107 S314	N105-E107 PolarHBondContact ND2-OE1 2.84Å; N105-S314 PolarHBondContact ND2-OG 2.56Å
106	V	86.5	Confident	74.1	Confident	31 Å²	31	71.4 Å²	71.4	19%	0.188	36%	0.361	C	S	.	.			trans	-116.8	130.3	-178.1	-178.7	0	0	0	0	108.7	L104 L284 V288 E293 W311 G312	L104-V106 HydrophobicContact CB-CG2 4.01Å; V106-L284 HydrophobicContact CG1-CD2 3.72Å; V106-V288 HydrophobicContact CG2-CB 4.17Å; V106-V288 HydrophobicContact CG2-CG1 3.96Å; V106-E293 WeakPolarHBondContact CG2-OE1 3.39Å; V106-W311 HydrophobicContact CG1-CB 4.24Å; V106-W311 HydrophobicContact CG1-CD2 3.99Å; V106-W311 HydrophobicContact CG1-CE3 3.33Å; V106-W311 HydrophobicContact CG1-CG 4.39Å; V106-W311 HydrophobicContact CG1-CZ3 3.97Å; V106-G312 WeakPolarHBondContact CA-O 3.22Å
107	E	86.2	Confident	72.2	Confident	87 Å²	87	67.5 Å²	67.5	41%	0.407	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.8	-176.6	-68.8	-177.1	-158.4	0	0	111.3	N105 W311 G312 S314	N105-E107 PolarHBondContact ND2-OE1 2.84Å; E107-W311 WeakPolarHBondContact O-CA 3.22Å; E107-W311 VanDerWaalsContact O-CB 3.28Å; E107-W311 WeakPolarHBondContact O-CB 3.14Å; E107-G312 PolarHBondContact N-O 3.4Å; E107-G312 PolarHBondContact O-N 2.88Å; E107-S314 WeakPolarHBondContact OE1-CB 3.38Å; E107-S314 PolarHBondContact OE1-OG 3.07Å
108	K	87.9	Confident	70.6	Confident	40 Å²	40	67 Å²	67	17%	0.174	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138	169.7	-73.7	179.2	-85	169.4	0	108.8	F110 D206 D207 N248 H251 L284	K108-F110 HydrophobicContact CB-CD2 3.54Å; K108-F110 HydrophobicContact CB-CE2 3.44Å; K108-F110 VanDerWaalsContact CB-CE2 3.44Å; K108-F110 HydrophobicContact CB-CG 4.5Å; K108-F110 HydrophobicContact CB-CZ 4.32Å; K108-F110 HydrophobicContact CD-CE2 3.59Å; K108-F110 HydrophobicContact CD-CZ 3.86Å; K108-F110 VanDerWaalsContact CE-CE2 3.43Å; K108-F110 HydrophobicContact CG-CE2 4.12Å; K108-F110 PolarHBondContact O-N 2.71Å; K108-D206 WeakPolarHBondContact CD-OD1 3.49Å; K108-D207 HydrophobicContact CD-CB 4.11Å; K108-D207 IonicContact NZ-OD2 3.93Å; K108-D207 PolarHBondContact NZ-OD2 2.85Å; K108-N248 PolarHBondContact NZ-O 3.48Å; K108-H251 HydrophobicContact CD-CB 3.77Å; K108-L284 HydrophobicContact CD-CD1 4.02Å; K108-L284 HydrophobicContact CG-CD1 3.43Å; K108-L284 VanDerWaalsContact CG-CD1 3.43Å
109	R	80.6	Confident	69.1	Low	2 Å²	2	67.9 Å²	67.9	1%	0.008	35%	0.353	C	S	.	.			trans	-80.7	66.9	-179.9	-59.4	-164.3	-177	112.7	-13.5	111.4	S310 W311 D315 A349 N352 D363 V366 S447	R109-S310 PolarHBondContact N-O 3.25Å; R109-W311 PolarHBondContact NH1-O 2.94Å; R109-D315 IonicContact NE-OD1 2.57Å; R109-D315 IonicContact NE-OD2 3.7Å; R109-A349 VanDerWaalsContact NH1-CB 3.27Å; R109-A349 PolarHBondContact NH1-O 2.87Å; R109-A349 PolarHBondContact NH2-O 2.84Å; R109-A349 VanDerWaalsContact NH2-O 3.16Å; R109-N352 PolarHBondContact O-ND2 3.43Å; R109-D363 IonicContact CZ-OD2 3.19Å; R109-D363 IonicContact NH2-OD2 2.88Å; R109-D363 PolarHBondContact NH2-OD2 3.25Å; R109-V366 VanDerWaalsContact NH2-CG2 3.32Å; R109-S447 WeakPolarHBondContact CB-OG 3.17Å; R109-S447 WeakPolarHBondContact O-CB 3.4Å; R109-S447 PolarHBondContact O-OG 2.81Å
110	F	66.5	Low	67.6	Low	76 Å²	76	71 Å²	71	33%	0.333	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-77.5	135.7	175	-73.1	-77.6	0	0	0	111.2	K108 H251	K108-F110 HydrophobicContact CB-CD2 3.54Å; K108-F110 HydrophobicContact CB-CE2 3.44Å; K108-F110 VanDerWaalsContact CB-CE2 3.44Å; K108-F110 HydrophobicContact CB-CG 4.5Å; K108-F110 HydrophobicContact CB-CZ 4.32Å; K108-F110 HydrophobicContact CD-CE2 3.59Å; K108-F110 HydrophobicContact CD-CZ 3.86Å; K108-F110 VanDerWaalsContact CE-CE2 3.43Å; K108-F110 HydrophobicContact CG-CE2 4.12Å; K108-F110 PolarHBondContact O-N 2.71Å; F110-H251 AromaticContact CD1-CD2 3.54Å; F110-H251 HydrophobicContact CE1-CB 3.81Å; F110-H251 AromaticContact CE1-CD2 3.17Å; F110-H251 WeakPolarHBondContact CE1-CD2 3.39Å; F110-H251 AromaticContact CE1-CG 3.71Å; F110-H251 HydrophobicContact CZ-CB 3.61Å; F110-H251 AromaticContact CZ-CD2 3.71Å; F110-H251 AromaticContact CZ-CG 3.78Å
111	T	54.1	Low	65.9	Low	32 Å²	32	68.3 Å²	68.3	20%	0.196	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-95.5	127.9	153.4	53	0	0	0	0	107.7	Y113 Y386 M444	T111-Y113 PolarHBondContact O-N 3.37Å; T111-Y386 HydrophobicContact CG2-CD1 3.75Å; T111-Y386 HydrophobicContact CG2-CD2 4.08Å; T111-Y386 HydrophobicContact CG2-CE1 3.78Å; T111-Y386 HydrophobicContact CG2-CE2 4.1Å; T111-Y386 HydrophobicContact CG2-CG 3.91Å; T111-M444 VanDerWaalsContact OG1-C 3.32Å; T111-M444 PolarHBondContact OG1-O 2.93Å
112	V	45.6	Very low	64.4	Low	124 Å²	124	67.5 Å²	67.5	75%	0.752	35%	0.351	S	S	*	.	S	Bend	trans	-50.1	131.6	-176.3	-176	0	0	0	0	110.2
113	Y	49.8	Very low	63.2	Low	129 Å²	129	69.8 Å²	69.8	51%	0.506	36%	0.363	S	S	.	.			trans	127.3	123.3	164.5	-77.2	-75.9	0	0	0	114.2	T111 M408 F425	T111-Y113 PolarHBondContact O-N 3.37Å; Y113-M408 HydrophobicContact CD2-CE 4.39Å; Y113-M408 HydrophobicContact CE2-CE 4.47Å; Y113-F425 HydrophobicContact CD2-CZ 4.31Å; Y113-F425 HydrophobicContact CE2-CZ 4.2Å
114	N	44.3	Very low	61.7	Low	58 Å²	58	66.7 Å²	66.7	31%	0.31	35%	0.351	S	S	.	.			trans	-125.6	126.2	173.7	-69.6	-31.6	0	0	0	108.1	E247 R254 M440	N114-E247 HydrophobicContact CB-CG 4.44Å; N114-E247 WeakPolarHBondContact CB-OE1 3.47Å; N114-E247 WeakPolarHBondContact ND2-CG 3.35Å; N114-E247 PolarHBondContact ND2-OE1 3.34Å; N114-R254 PolarHBondContact OD1-NH1 2.97Å; N114-M440 HydrophobicContact CB-CE 4.13Å; N114-M440 WeakPolarHBondContact OD1-CE 3.44Å
115	S	49.4	Very low	60.2	Low	53 Å²	53	66.9 Å²	66.9	37%	0.371	35%	0.352	S	S	.	.			trans	-147	144.9	171.4	60.2	0	0	0	0	110.9	M440 K441	S115-M440 VanDerWaalsContact O-SD 3.34Å; S115-K441 VanDerWaalsContact O-CB 3.23Å; S115-K441 WeakPolarHBondContact O-CB 3.47Å; S115-K441 PolarHBondContact O-N 2.93Å
116	Q	49.4	Very low	58.8	Low	121 Å²	121	70.1 Å²	70.1	57%	0.565	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-76.4	145.4	-179.7	-171	170.4	-11.8	0	0	110.9
117	F	49	Very low	57.6	Low	41 Å²	41	74.6 Å²	74.6	18%	0.18	38%	0.378	C	S	.	.			trans	-66.1	134	-178.1	-179.7	-99.9	0	0	0	113.2	A119 A122 A163 Y166 P431 C439 K441	F117-A119 HydrophobicContact CE1-CB 4.15Å; F117-A119 HydrophobicContact CZ-CB 4.28Å; F117-A122 HydrophobicContact CE2-CB 4.42Å; F117-A163 HydrophobicContact CE2-CB 4.25Å; F117-A163 HydrophobicContact CZ-CB 4.23Å; F117-Y166 HydrophobicContact CE2-CD2 4.19Å; F117-Y166 HydrophobicContact CZ-CD2 4.03Å; F117-Y166 AromaticContact CZ-CE2 3.99Å; F117-Y166 HydrophobicContact CZ-CE2 3.99Å; F117-P431 HydrophobicContact CD2-CB 4.05Å; F117-P431 HydrophobicContact CD2-CG 3.91Å; F117-P431 HydrophobicContact CE2-CB 4.32Å; F117-P431 HydrophobicContact CE2-CG 3.86Å; F117-C439 HydrophobicContact CB-CB 3.97Å; F117-C439 PolarHBondContact N-O 3.05Å; F117-K441 HydrophobicContact CB-CB 4.43Å; F117-K441 HydrophobicContact CD2-CG 4.45Å
118	D	55.2	Low	56.4	Low	75 Å²	75	74.4 Å²	74.4	40%	0.401	38%	0.379	S	S	.	.			trans	-136.5	121.2	169.4	-176.8	-19.5	0	0	0	108.4	N120 V121 A122	D118-N120 VanDerWaalsContact C-N 3.33Å; D118-N120 PolarHBondContact O-N 3.02Å; D118-N120 WeakPolarHBondContact OD1-CB 3.46Å; D118-N120 PolarHBondContact OD1-N 2.98Å; D118-N120 PolarHBondContact OD1-ND2 2.83Å; D118-V121 HydrophobicContact CB-CG2 4.13Å; D118-V121 PolarHBondContact O-N 2.86Å; D118-A122 PolarHBondContact O-N 3.35Å
119	A	53.9	Low	55.6	Low	42 Å²	42	77.7 Å²	77.7	35%	0.347	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-34.1	-177.1	0	0	0	0	0	112.9	F117 V121 A122 E123	F117-A119 HydrophobicContact CE1-CB 4.15Å; F117-A119 HydrophobicContact CZ-CB 4.28Å; A119-V121 VanDerWaalsContact C-N 3.27Å; A119-V121 PolarHBondContact O-N 3.23Å; A119-A122 PolarHBondContact O-N 3.22Å; A119-E123 PolarHBondContact O-N 2.79Å
120	N	53.9	Low	55.5	Low	120 Å²	120	79.7 Å²	79.7	64%	0.642	42%	0.415	S	S	*	.	H	α-helix	trans	-65	-35.3	-178	-62.3	-44.1	0	0	0	111.5	D118 S124	D118-N120 VanDerWaalsContact C-N 3.33Å; D118-N120 PolarHBondContact O-N 3.02Å; D118-N120 WeakPolarHBondContact OD1-CB 3.46Å; D118-N120 PolarHBondContact OD1-N 2.98Å; D118-N120 PolarHBondContact OD1-ND2 2.83Å; N120-S124 PolarHBondContact O-N 3.13Å
121	V	51	Low	56.1	Low	39 Å²	39	78 Å²	78	24%	0.236	41%	0.411	C	S	.	.	H	α-helix	trans	-78.4	-28.7	178.8	-173.3	0	0	0	0	111.4	D118 A119 E123 S124 K441	D118-V121 HydrophobicContact CB-CG2 4.13Å; D118-V121 PolarHBondContact O-N 2.86Å; A119-V121 VanDerWaalsContact C-N 3.27Å; A119-V121 PolarHBondContact O-N 3.23Å; V121-E123 VanDerWaalsContact C-N 3.31Å; V121-S124 PolarHBondContact O-N 2.94Å; V121-S124 PolarHBondContact O-OG 2.57Å; V121-S124 VanDerWaalsContact O-OG 3.13Å; V121-K441 VanDerWaalsContact CG1-NZ 3.25Å
122	A	54.6	Low	57.3	Low	8 Å²	8	85.3 Å²	85.3	7%	0.066	44%	0.441	C	S	.	.	H	α-helix	trans	-67.4	-36	175.6	0	0	0	0	0	111.8	F117 D118 A119 Y166 N429	F117-A122 HydrophobicContact CE2-CB 4.42Å; D118-A122 PolarHBondContact O-N 3.35Å; A119-A122 PolarHBondContact O-N 3.22Å; A122-Y166 HydrophobicContact CB-CD1 3.8Å; A122-Y166 HydrophobicContact CB-CD2 4.24Å; A122-Y166 HydrophobicContact CB-CE1 3.67Å; A122-Y166 HydrophobicContact CB-CE2 4.14Å; A122-Y166 HydrophobicContact CB-CG 4.09Å; A122-N429 WeakPolarHBondContact CA-ND2 2.97Å; A122-N429 VanDerWaalsContact CB-ND2 3.27Å; A122-N429 WeakPolarHBondContact CB-ND2 3.27Å
123	E	56.7	Low	58.9	Low	153 Å²	153	85.8 Å²	85.8	72%	0.715	44%	0.435	S	S	*	.	H	α-helix	trans	-72.2	-27.1	178.2	-163.1	172	-169.7	0	0	113	A119 V121 L125	A119-E123 PolarHBondContact O-N 2.79Å; V121-E123 VanDerWaalsContact C-N 3.31Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 2.91Å
124	S	52	Low	60.3	Low	42 Å²	42	79.9 Å²	79.9	29%	0.294	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7	-178.4	72.8	0	0	0	0	115	N120 V121 K126 E424	N120-S124 PolarHBondContact O-N 3.13Å; V121-S124 PolarHBondContact O-N 2.94Å; V121-S124 PolarHBondContact O-OG 2.57Å; V121-S124 VanDerWaalsContact O-OG 3.13Å; S124-K126 PolarHBondContact O-N 2.83Å; S124-K126 VanDerWaalsContact O-N 3.11Å; S124-E424 WeakPolarHBondContact CB-OE1 3.36Å; S124-E424 PolarHBondContact OG-OE1 3.27Å
125	L	55.5	Low	62	Low	30 Å²	30	81.1 Å²	81.1	16%	0.157	42%	0.421	C	S	.	.			trans	-64.7	113.7	-178.3	-68.3	170.6	0	0	0	111.2	E123 K127 V177 L426 S427 N429	E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 2.91Å; L125-K127 PolarHBondContact O-N 3.45Å; L125-V177 HydrophobicContact CB-CG2 4.46Å; L125-V177 HydrophobicContact CD1-CG2 3.87Å; L125-L426 HydrophobicContact CD2-CD2 4.29Å; L125-S427 WeakPolarHBondContact CD1-O 3.34Å; L125-N429 HydrophobicContact CD1-CB 4.36Å; L125-N429 WeakPolarHBondContact CD1-ND2 3.28Å
126	K	53.1	Low	62.9	Low	170 Å²	170	79.1 Å²	79.1	74%	0.739	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-67.4	132.5	178.3	-71.7	-178.4	-179.1	174	0	111	S124 I128	S124-K126 PolarHBondContact O-N 2.83Å; S124-K126 VanDerWaalsContact O-N 3.11Å; K126-I128 PolarHBondContact O-N 2.81Å
127	K	60.8	Low	63.8	Low	124 Å²	124	82.9 Å²	82.9	54%	0.539	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-64.1	122.5	166.6	-61	-174.4	-176.5	-167.9	0	109.6	L125 G174 S175	L125-K127 PolarHBondContact O-N 3.45Å; K127-G174 WeakPolarHBondContact CE-O 3.48Å; K127-G174 PolarHBondContact NZ-O 3.22Å; K127-S175 WeakPolarHBondContact CE-O 3.05Å
128	I	62.3	Low	64.9	Low	84 Å²	84	83.4 Å²	83.4	43%	0.431	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-79	126.8	165.7	-57.1	176.4	0	0	0	106.7	K126 P179 L426	K126-I128 PolarHBondContact O-N 2.81Å; I128-P179 WeakPolarHBondContact O-CB 3.35Å; I128-P179 WeakPolarHBondContact O-CG 3.47Å; I128-L426 HydrophobicContact CD1-CD1 4.27Å
129	P	69.8	Low	66.4	Low	109 Å²	109	80.4 Å²	80.4	71%	0.708	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-58.5	143.2	174.5	-21.5	32.2	0	0	0	111.1
130	L	78.2	Confident	67.9	Low	44 Å²	44	81.7 Å²	81.7	23%	0.23	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-56.5	133.9	169	-91	149.7	0	0	0	110.1	M134 V135 P179 L180 L380	L130-M134 HydrophobicContact CD2-CB 4Å; L130-M134 HydrophobicContact CD2-CE 3.91Å; L130-M134 HydrophobicContact CD2-SD 4.1Å; L130-V135 HydrophobicContact CB-CG2 4.38Å; L130-P179 HydrophobicContact CD1-CB 4.21Å; L130-P179 WeakPolarHBondContact CD1-O 3.49Å; L130-P179 HydrophobicContact CD2-CG 4.34Å; L130-P179 HydrophobicContact CG-CB 3.84Å; L130-P179 HydrophobicContact CG-CG 3.87Å; L130-L180 HydrophobicContact CD2-CB 4.17Å; L130-L180 HydrophobicContact CD2-CD1 3.98Å; L130-L380 HydrophobicContact CD2-CD2 4.5Å
131	P	79.3	Confident	69.7	Low	39 Å²	39	80.1 Å²	80.1	25%	0.253	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-53.8	140.9	168.1	-23.7	33.1	0	0	0	110.8	E133 M134	P131-E133 VanDerWaalsContact CB-CD 3.44Å; P131-E133 HydrophobicContact CB-CG 3.99Å; P131-E133 WeakPolarHBondContact CB-OE1 3.33Å; P131-E133 PolarHBondContact O-N 3.43Å; P131-M134 HydrophobicContact CB-CG 4.39Å; P131-M134 HydrophobicContact CB-SD 4.41Å; P131-M134 HydrophobicContact CG-SD 3.95Å; P131-M134 WeakPolarHBondContact O-CB 3.46Å; P131-M134 PolarHBondContact O-N 3.1Å
132	K	80.4	Confident	71.7	Confident	186 Å²	186	78.9 Å²	78.9	81%	0.809	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-61	-34.3	-173.3	-72.4	-177.4	177.5	179	0	112.1	M134 V135	K132-M134 PolarHBondContact O-N 3.03Å; K132-V135 WeakPolarHBondContact O-CB 3.46Å; K132-V135 PolarHBondContact O-N 2.85Å; K132-V135 VanDerWaalsContact O-N 3.09Å
133	E	79.3	Confident	73.5	Confident	135 Å²	135	80.4 Å²	80.4	63%	0.631	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-62.9	-22.8	176.4	55.2	-91.5	-151.7	0	0	113.8	P131 T486	P131-E133 VanDerWaalsContact CB-CD 3.44Å; P131-E133 HydrophobicContact CB-CG 3.99Å; P131-E133 WeakPolarHBondContact CB-OE1 3.33Å; P131-E133 PolarHBondContact O-N 3.43Å; E133-T486 HydrophobicContact CB-CG2 4.4Å; E133-T486 HydrophobicContact CG-CG2 4.46Å; E133-T486 WeakPolarHBondContact O-CG2 3.32Å
134	M	78.6	Confident	75.2	Confident	5 Å²	5	79.4 Å²	79.4	3%	0.025	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-87.1	-9.3	175.6	-65.5	178.7	69.4	0	0	112.8	L130 P131 K132 L180 L380 N484 P485 T486	L130-M134 HydrophobicContact CD2-CB 4Å; L130-M134 HydrophobicContact CD2-CE 3.91Å; L130-M134 HydrophobicContact CD2-SD 4.1Å; P131-M134 HydrophobicContact CB-CG 4.39Å; P131-M134 HydrophobicContact CB-SD 4.41Å; P131-M134 HydrophobicContact CG-SD 3.95Å; P131-M134 WeakPolarHBondContact O-CB 3.46Å; P131-M134 PolarHBondContact O-N 3.1Å; K132-M134 PolarHBondContact O-N 3.03Å; M134-L180 HydrophobicContact CE-CD1 4.18Å; M134-L180 HydrophobicContact CE-CD2 3.8Å; M134-L180 HydrophobicContact CE-CG 4.45Å; M134-L380 HydrophobicContact CE-CB 4.39Å; M134-L380 HydrophobicContact CE-CD2 4.49Å; M134-L380 HydrophobicContact SD-CD2 4.46Å; M134-N484 WeakPolarHBondContact CE-ND2 3.41Å; M134-P485 HydrophobicContact CB-CG 4.31Å; M134-P485 HydrophobicContact CG-CG 4.42Å; M134-T486 HydrophobicContact CG-CG2 4.15Å
135	V	80.2	Confident	77.2	Confident	83 Å²	83	80.4 Å²	80.4	50%	0.503	41%	0.407	S	S	.	.			trans	-87.7	123.3	-179.9	-175.2	0	0	0	0	109.8	L130 K132 D139	L130-V135 HydrophobicContact CB-CG2 4.38Å; K132-V135 WeakPolarHBondContact O-CB 3.46Å; K132-V135 PolarHBondContact O-N 2.85Å; K132-V135 VanDerWaalsContact O-N 3.09Å; V135-D139 WeakPolarHBondContact CA-OD2 3.18Å
136	T	67.8	Low	79.1	Confident	11 Å²	11	79.2 Å²	79.2	7%	0.067	40%	0.401	C	S	.	.			trans	-107.6	156.1	175.8	90.5	0	0	0	0	110.9	A138 D139 I764	T136-A138 PolarHBondContact O-N 3.34Å; T136-A138 PolarHBondContact OG1-N 2.77Å; T136-D139 PolarHBondContact N-OD2 2.53Å; T136-D139 WeakPolarHBondContact O-CB 3.4Å; T136-D139 PolarHBondContact O-N 3.33Å; T136-D139 VanDerWaalsContact O-N 3.1Å; T136-D139 PolarHBondContact OG1-N 2.99Å; T136-D139 PolarHBondContact OG1-OD1 3.39Å; T136-D139 PolarHBondContact OG1-OD2 3.39Å; T136-I764 HydrophobicContact CG2-CD1 4.26Å
137	E	68.7	Low	81.1	Confident	201 Å²	201	73.6 Å²	73.6	94%	0.939	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.8	176.5	-69.1	-176.7	172.8	0	0	112.4	D139	E137-D139 VanDerWaalsContact C-N 3.26Å; E137-D139 PolarHBondContact O-N 2.74Å
138	A	72.6	Confident	82.8	Confident	51 Å²	51	73 Å²	73	42%	0.421	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.7	178	0	0	0	0	0	113.5	T136 A140 Y142	T136-A138 PolarHBondContact O-N 3.34Å; T136-A138 PolarHBondContact OG1-N 2.77Å; A138-A140 PolarHBondContact O-N 3.37Å; A138-Y142 PolarHBondContact O-N 3.44Å
139	D	85.5	Confident	84.4	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.064	36%	0.358	C	S	.	.	H	α-helix	trans	-71	-31.4	-172.2	-69	-10.3	0	0	0	113	V135 T136 E137 E141 Y142 N143 R767	V135-D139 WeakPolarHBondContact CA-OD2 3.18Å; T136-D139 PolarHBondContact N-OD2 2.53Å; T136-D139 WeakPolarHBondContact O-CB 3.4Å; T136-D139 PolarHBondContact O-N 3.33Å; T136-D139 VanDerWaalsContact O-N 3.1Å; T136-D139 PolarHBondContact OG1-N 2.99Å; T136-D139 PolarHBondContact OG1-OD1 3.39Å; T136-D139 PolarHBondContact OG1-OD2 3.39Å; E137-D139 VanDerWaalsContact C-N 3.26Å; E137-D139 PolarHBondContact O-N 2.74Å; D139-E141 PolarHBondContact O-N 2.88Å; D139-Y142 PolarHBondContact O-N 2.95Å; D139-N143 WeakPolarHBondContact O-CB 3.28Å; D139-N143 PolarHBondContact O-N 3.01Å; D139-N143 PolarHBondContact O-ND2 3.1Å; D139-N143 PolarHBondContact O-OD1 3.29Å; D139-R767 IonicContact OD1-CZ 2.71Å; D139-R767 IonicContact OD1-NH1 3.83Å; D139-R767 PolarHBondContact OD1-NH1 3.32Å; D139-R767 IonicContact OD1-NH2 3.44Å
140	A	86.1	Confident	85.6	Confident	69 Å²	69	64.1 Å²	64.1	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-63.7	-43.5	-174.7	0	0	0	0	0	112.4	A138 R144	A138-A140 PolarHBondContact O-N 3.37Å; A140-R144 PolarHBondContact O-N 3.46Å
141	E	90.4	Very high	86.4	Confident	87 Å²	87	68.1 Å²	68.1	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-68.7	-49.9	175.2	179.5	65.1	-119.6	0	0	111	D139 N143 R144 Q145	D139-E141 PolarHBondContact O-N 2.88Å; E141-N143 VanDerWaalsContact C-N 3.34Å; E141-N143 PolarHBondContact O-N 3.42Å; E141-R144 PolarHBondContact O-N 3.29Å; E141-R144 IonicContact OE1-CZ 2.75Å; E141-R144 IonicContact OE1-NE 2.77Å; E141-R144 IonicContact OE1-NH2 3.52Å; E141-R144 PolarHBondContact OE1-NH2 2.96Å; E141-R144 IonicContact OE2-CZ 3.19Å; E141-R144 IonicContact OE2-NH2 3.48Å; E141-R144 PolarHBondContact OE2-NH2 3.43Å; E141-Q145 PolarHBondContact O-N 2.97Å; E141-Q145 WeakPolarHBondContact OE1-CG 3.46Å; E141-Q145 PolarHBondContact OE1-NE2 3.39Å
142	Y	93.7	Very high	87.2	Confident	14 Å²	14	72.3 Å²	72.3	6%	0.055	35%	0.354	C	S	.	.	H	α-helix	trans	-54	-50.7	178.7	168.7	-92.2	0	0	0	111.4	A138 D139 R144 Q145 Y146 I181 R767 F771	A138-Y142 PolarHBondContact O-N 3.44Å; D139-Y142 PolarHBondContact O-N 2.95Å; Y142-R144 PolarHBondContact O-N 3.23Å; Y142-Q145 PolarHBondContact O-N 3.09Å; Y142-Y146 HydrophobicContact CE2-CD2 4.2Å; Y142-Y146 AromaticContact CZ-CD2 3.8Å; Y142-Y146 WeakPolarHBondContact O-CB 3.34Å; Y142-Y146 PolarHBondContact O-N 2.02Å; Y142-Y146 WeakPolarHBondContact OH-CD2 3.48Å; Y142-I181 HydrophobicContact CE1-CB 4.46Å; Y142-I181 HydrophobicContact CE1-CG2 4.05Å; Y142-R767 HydrophobicContact CD2-CG 4.47Å; Y142-R767 HydrophobicContact CE1-CG 4.24Å; Y142-R767 HydrophobicContact CE2-CG 3.65Å; Y142-R767 VanDerWaalsContact CZ-CD 3.4Å; Y142-R767 WeakPolarHBondContact OH-CG 3.18Å; Y142-F771 AromaticContact CD2-CD1 3.93Å; Y142-F771 HydrophobicContact CD2-CD1 3.93Å; Y142-F771 HydrophobicContact CE2-CB 3.82Å; Y142-F771 AromaticContact CE2-CD1 3.83Å; Y142-F771 HydrophobicContact CE2-CD1 3.83Å; Y142-F771 AromaticContact CE2-CG 3.97Å; Y142-F771 HydrophobicContact CE2-CG 3.97Å
143	N	92.4	Very high	88	Confident	39 Å²	39	63.4 Å²	63.4	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-44.7	-178.7	-72	-15.5	0	0	0	111.6	D139 E141 Y146 I147 I181	D139-N143 WeakPolarHBondContact O-CB 3.28Å; D139-N143 PolarHBondContact O-N 3.01Å; D139-N143 PolarHBondContact O-ND2 3.1Å; D139-N143 PolarHBondContact O-OD1 3.29Å; E141-N143 VanDerWaalsContact C-N 3.34Å; E141-N143 PolarHBondContact O-N 3.42Å; N143-Y146 PolarHBondContact O-N 2.97Å; N143-I147 WeakPolarHBondContact O-CB 3.37Å; N143-I147 WeakPolarHBondContact O-CD1 3.4Å; N143-I147 WeakPolarHBondContact O-CG1 3.16Å; N143-I147 PolarHBondContact O-N 3.17Å; N143-I181 HydrophobicContact CB-CD1 3.73Å
144	R	92.5	Very high	88.7	Confident	133 Å²	133	58.9 Å²	58.9	50%	0.502	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-51.9	176.6	170.6	175.2	49.2	-124	2.8	110.9	A140 E141 Y142 Y146 I147 E148	A140-R144 PolarHBondContact O-N 3.46Å; E141-R144 PolarHBondContact O-N 3.29Å; E141-R144 IonicContact OE1-CZ 2.75Å; E141-R144 IonicContact OE1-NE 2.77Å; E141-R144 IonicContact OE1-NH2 3.52Å; E141-R144 PolarHBondContact OE1-NH2 2.96Å; E141-R144 IonicContact OE2-CZ 3.19Å; E141-R144 IonicContact OE2-NH2 3.48Å; E141-R144 PolarHBondContact OE2-NH2 3.43Å; Y142-R144 PolarHBondContact O-N 3.23Å; R144-Y146 PolarHBondContact O-N 3.04Å; R144-I147 PolarHBondContact O-N 3.11Å; R144-E148 PolarHBondContact O-N 3.34Å
145	Q	94.6	Very high	89.5	Confident	62 Å²	62	64 Å²	64	29%	0.29	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-40.2	-178.2	-65.9	-170.1	22	0	0	112.2	E141 Y142 E148 Y149 F771	E141-Q145 PolarHBondContact O-N 2.97Å; E141-Q145 WeakPolarHBondContact OE1-CG 3.46Å; E141-Q145 PolarHBondContact OE1-NE2 3.39Å; Y142-Q145 PolarHBondContact O-N 3.09Å; Q145-E148 PolarHBondContact O-N 2.99Å; Q145-Y149 WeakPolarHBondContact O-CB 3.41Å; Q145-Y149 PolarHBondContact O-N 2.91Å; Q145-F771 HydrophobicContact CB-CE1 3.76Å; Q145-F771 HydrophobicContact CB-CZ 3.82Å
146	Y	95.8	Very high	90.2	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.02	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-41.6	-179.7	-164.4	-82.4	0	0	0	111.6	Y142 N143 R144 E148 Y149 A150 L171 N172 I181 D184 F771	Y142-Y146 HydrophobicContact CE2-CD2 4.2Å; Y142-Y146 AromaticContact CZ-CD2 3.8Å; Y142-Y146 WeakPolarHBondContact O-CB 3.34Å; Y142-Y146 PolarHBondContact O-N 2.02Å; Y142-Y146 WeakPolarHBondContact OH-CD2 3.48Å; N143-Y146 PolarHBondContact O-N 2.97Å; R144-Y146 PolarHBondContact O-N 3.04Å; Y146-E148 VanDerWaalsContact C-N 3.33Å; Y146-E148 PolarHBondContact O-N 2.85Å; Y146-Y149 HydrophobicContact CD2-CD1 4.31Å; Y146-Y149 HydrophobicContact CE2-CD1 4.27Å; Y146-Y149 HydrophobicContact CE2-CE1 4.23Å; Y146-Y149 PolarHBondContact O-N 3.45Å; Y146-A150 HydrophobicContact CD1-CB 4.3Å; Y146-A150 HydrophobicContact CE1-CB 4.27Å; Y146-A150 VanDerWaalsContact O-CB 3.29Å; Y146-A150 WeakPolarHBondContact O-CB 3.18Å; Y146-A150 PolarHBondContact O-N 2.88Å; Y146-L171 HydrophobicContact CE1-CD1 4.36Å; Y146-N172 WeakPolarHBondContact CE1-O 3.5Å; Y146-I181 HydrophobicContact CD1-CG2 3.31Å; Y146-I181 HydrophobicContact CE1-CG2 4.05Å; Y146-I181 HydrophobicContact CG-CG2 3.61Å; Y146-D184 PolarHBondContact OH-OD2 3.04Å; Y146-F771 HydrophobicContact CD2-CB 4.47Å; Y146-F771 AromaticContact CD2-CD2 3.48Å; Y146-F771 HydrophobicContact CD2-CD2 3.48Å; Y146-F771 VanDerWaalsContact CD2-CD2 3.48Å; Y146-F771 AromaticContact CD2-CE2 3.78Å; Y146-F771 HydrophobicContact CD2-CE2 3.78Å; Y146-F771 AromaticContact CD2-CG 3.96Å; Y146-F771 HydrophobicContact CD2-CG 3.96Å; Y146-F771 HydrophobicContact CD2-CZ 4.46Å; Y146-F771 AromaticContact CE2-CD2 3.93Å; Y146-F771 HydrophobicContact CE2-CD2 3.93Å; Y146-F771 HydrophobicContact CE2-CE2 4.48Å; Y146-F771 HydrophobicContact CG-CD2 4.5Å; Y146-F771 HydrophobicContact CG-CE2 4.41Å
147	I	94.8	Very high	91.6	Very high	52 Å²	52	62.8 Å²	62.8	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-43.7	176.5	-71.2	164.4	0	0	0	110.9	N143 R144 A150 K151 I181	N143-I147 WeakPolarHBondContact O-CB 3.37Å; N143-I147 WeakPolarHBondContact O-CD1 3.4Å; N143-I147 WeakPolarHBondContact O-CG1 3.16Å; N143-I147 PolarHBondContact O-N 3.17Å; R144-I147 PolarHBondContact O-N 3.11Å; I147-A150 PolarHBondContact O-N 2.84Å; I147-K151 HydrophobicContact CG2-CD 4.32Å; I147-K151 VanDerWaalsContact O-CG 3.3Å; I147-K151 WeakPolarHBondContact O-CG 3.29Å; I147-K151 PolarHBondContact O-N 2.91Å; I147-I181 HydrophobicContact CD1-CD1 3.83Å; I147-I181 HydrophobicContact CG1-CD1 4.01Å
148	E	95.5	Very high	92.8	Very high	111 Å²	111	58.7 Å²	58.7	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-43.9	176.5	-70.2	-172.8	164	0	0	112.1	R144 Q145 Y146 K151 K152	R144-E148 PolarHBondContact O-N 3.34Å; Q145-E148 PolarHBondContact O-N 2.99Å; Y146-E148 VanDerWaalsContact C-N 3.33Å; Y146-E148 PolarHBondContact O-N 2.85Å; E148-K151 PolarHBondContact O-N 2.74Å; E148-K152 WeakPolarHBondContact O-CG 3.36Å; E148-K152 PolarHBondContact O-N 3.32Å; E148-K152 VanDerWaalsContact O-N 3.09Å
149	Y	96.3	Very high	93.9	Very high	8 Å²	8	57.6 Å²	57.6	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-47.6	175	157.1	-97.8	0	0	0	111.8	Q145 Y146 K151 K152 I153 L171 P189 F771 S774 F778	Q145-Y149 WeakPolarHBondContact O-CB 3.41Å; Q145-Y149 PolarHBondContact O-N 2.91Å; Y146-Y149 HydrophobicContact CD2-CD1 4.31Å; Y146-Y149 HydrophobicContact CE2-CD1 4.27Å; Y146-Y149 HydrophobicContact CE2-CE1 4.23Å; Y146-Y149 PolarHBondContact O-N 3.45Å; Y149-K151 VanDerWaalsContact C-N 3.32Å; Y149-K151 PolarHBondContact O-N 3.01Å; Y149-K152 WeakPolarHBondContact O-CB 3.47Å; Y149-K152 PolarHBondContact O-N 3.48Å; Y149-K152 VanDerWaalsContact O-N 3.11Å; Y149-I153 HydrophobicContact CD2-CD1 4.5Å; Y149-I153 HydrophobicContact CD2-CG1 3.84Å; Y149-I153 HydrophobicContact CE1-CG1 4.16Å; Y149-I153 HydrophobicContact CE2-CD1 3.7Å; Y149-I153 HydrophobicContact CE2-CG1 3.28Å; Y149-I153 HydrophobicContact CG-CG1 4.46Å; Y149-I153 VanDerWaalsContact CZ-CG1 3.44Å; Y149-I153 WeakPolarHBondContact O-CG1 3.32Å; Y149-I153 PolarHBondContact O-N 2.99Å; Y149-L171 HydrophobicContact CE1-CD1 4.16Å; Y149-P189 WeakPolarHBondContact OH-CG 3.24Å; Y149-F771 HydrophobicContact CD1-CD2 4.24Å; Y149-F771 AromaticContact CD1-CE2 3.72Å; Y149-F771 HydrophobicContact CD1-CE2 3.72Å; Y149-F771 HydrophobicContact CD2-CE2 4.33Å; Y149-F771 HydrophobicContact CE1-CE2 4.45Å; Y149-F771 AromaticContact CG-CE2 3.66Å; Y149-F771 HydrophobicContact CG-CE2 3.66Å; Y149-S774 WeakPolarHBondContact OH-CB 3.44Å; Y149-F778 HydrophobicContact CD2-CD2 4.2Å; Y149-F778 AromaticContact CD2-CE2 3.93Å; Y149-F778 HydrophobicContact CD2-CE2 3.93Å; Y149-F778 HydrophobicContact CE2-CD2 4.47Å; Y149-F778 HydrophobicContact CE2-CE2 4.1Å
150	A	95.4	Very high	94.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-39.1	-178	0	0	0	0	0	111.5	Y146 I147 I153 R154 L171 D173	Y146-A150 HydrophobicContact CD1-CB 4.3Å; Y146-A150 HydrophobicContact CE1-CB 4.27Å; Y146-A150 VanDerWaalsContact O-CB 3.29Å; Y146-A150 WeakPolarHBondContact O-CB 3.18Å; Y146-A150 PolarHBondContact O-N 2.88Å; I147-A150 PolarHBondContact O-N 2.84Å; A150-I153 PolarHBondContact O-N 3.19Å; A150-R154 WeakPolarHBondContact O-CB 3.27Å; A150-R154 WeakPolarHBondContact O-CG 3.49Å; A150-R154 PolarHBondContact O-N 3.43Å; A150-L171 HydrophobicContact CB-CD1 4.49Å; A150-L171 HydrophobicContact CB-CD2 4.08Å; A150-L171 HydrophobicContact CB-CG 4.23Å; A150-D173 HydrophobicContact CB-CB 3.71Å
151	K	94.7	Very high	94.7	Very high	127 Å²	127	57.7 Å²	57.7	55%	0.552	29%	0.286	S	S	*	.	H	α-helix	trans	-58.7	-50.8	170.9	-73.9	172.2	-177.7	177.4	0	111.4	I147 E148 Y149 I153 R154 T155	I147-K151 HydrophobicContact CG2-CD 4.32Å; I147-K151 VanDerWaalsContact O-CG 3.3Å; I147-K151 WeakPolarHBondContact O-CG 3.29Å; I147-K151 PolarHBondContact O-N 2.91Å; E148-K151 PolarHBondContact O-N 2.74Å; Y149-K151 VanDerWaalsContact C-N 3.32Å; Y149-K151 PolarHBondContact O-N 3.01Å; K151-I153 PolarHBondContact O-N 2.99Å; K151-R154 PolarHBondContact O-N 3.43Å; K151-T155 PolarHBondContact O-N 2.85Å; K151-T155 PolarHBondContact O-OG1 2.99Å; K151-T155 VanDerWaalsContact O-OG1 3.11Å
152	K	96.3	Very high	94.6	Very high	127 Å²	127	57 Å²	57	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-58.5	-45.9	178.6	-72.1	175.9	-179.3	178.7	0	112	E148 Y149 T155 A156 F778	E148-K152 WeakPolarHBondContact O-CG 3.36Å; E148-K152 PolarHBondContact O-N 3.32Å; E148-K152 VanDerWaalsContact O-N 3.09Å; Y149-K152 WeakPolarHBondContact O-CB 3.47Å; Y149-K152 PolarHBondContact O-N 3.48Å; Y149-K152 VanDerWaalsContact O-N 3.11Å; K152-T155 PolarHBondContact O-N 3.13Å; K152-A156 WeakPolarHBondContact O-CB 3.14Å; K152-A156 PolarHBondContact O-N 3.05Å; K152-F778 HydrophobicContact CB-CE2 3.92Å; K152-F778 HydrophobicContact CB-CZ 3.8Å
153	I	96.3	Very high	94.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-47.6	178.2	-71.6	-68	0	0	0	111.7	Y149 A150 K151 T155 A156 V157 L171 Y188 P189 L192 I777 F778	Y149-I153 HydrophobicContact CD2-CD1 4.5Å; Y149-I153 HydrophobicContact CD2-CG1 3.84Å; Y149-I153 HydrophobicContact CE1-CG1 4.16Å; Y149-I153 HydrophobicContact CE2-CD1 3.7Å; Y149-I153 HydrophobicContact CE2-CG1 3.28Å; Y149-I153 HydrophobicContact CG-CG1 4.46Å; Y149-I153 VanDerWaalsContact CZ-CG1 3.44Å; Y149-I153 WeakPolarHBondContact O-CG1 3.32Å; Y149-I153 PolarHBondContact O-N 2.99Å; A150-I153 PolarHBondContact O-N 3.19Å; K151-I153 PolarHBondContact O-N 2.99Å; I153-T155 VanDerWaalsContact C-N 3.29Å; I153-T155 PolarHBondContact O-N 3.08Å; I153-A156 PolarHBondContact O-N 2.89Å; I153-A156 VanDerWaalsContact O-N 3.14Å; I153-V157 HydrophobicContact CG2-CG2 4.23Å; I153-V157 WeakPolarHBondContact O-CG2 3.45Å; I153-V157 PolarHBondContact O-N 2.77Å; I153-L171 HydrophobicContact CB-CD2 4.22Å; I153-L171 HydrophobicContact CG2-CD2 3.86Å; I153-Y188 HydrophobicContact CG2-CD2 4.1Å; I153-Y188 HydrophobicContact CG2-CG 4.25Å; I153-P189 HydrophobicContact CD1-CG 4.46Å; I153-L192 HydrophobicContact CD1-CD1 3.65Å; I153-I777 HydrophobicContact CD1-CG2 3.88Å; I153-F778 HydrophobicContact CD1-CD2 4.44Å; I153-F778 HydrophobicContact CD1-CE1 4.48Å; I153-F778 HydrophobicContact CD1-CE2 3.39Å; I153-F778 HydrophobicContact CD1-CZ 3.41Å; I153-F778 VanDerWaalsContact CD1-CZ 3.41Å; I153-F778 HydrophobicContact CG1-CE2 3.66Å; I153-F778 HydrophobicContact CG1-CZ 3.89Å
154	R	94.1	Very high	94	Very high	40 Å²	40	54.8 Å²	54.8	15%	0.151	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-43.1	178.5	-75.7	-178.8	177.1	-97.7	4.1	111.4	A150 K151 N158 A164 H165 L171 Y188	A150-R154 WeakPolarHBondContact O-CB 3.27Å; A150-R154 WeakPolarHBondContact O-CG 3.49Å; A150-R154 PolarHBondContact O-N 3.43Å; K151-R154 PolarHBondContact O-N 3.43Å; R154-N158 PolarHBondContact O-N 3.46Å; R154-A164 PolarHBondContact NH1-O 2.9Å; R154-H165 PolarHBondContact NH1-O 2.91Å; R154-L171 HydrophobicContact CG-CD2 3.84Å; R154-L171 PolarHBondContact NH2-O 2.91Å; R154-Y188 HydrophobicContact CG-CD2 4.3Å; R154-Y188 HydrophobicContact CG-CE2 4.14Å
155	T	95.4	Very high	93.4	Very high	111 Å²	111	53.4 Å²	53.4	68%	0.681	28%	0.278	S	S	*	.	H	α-helix	trans	-64.5	-40.9	175.6	-58.8	0	0	0	0	112.3	K151 K152 I153	K151-T155 PolarHBondContact O-N 2.85Å; K151-T155 PolarHBondContact O-OG1 2.99Å; K151-T155 VanDerWaalsContact O-OG1 3.11Å; K152-T155 PolarHBondContact O-N 3.13Å; I153-T155 VanDerWaalsContact C-N 3.29Å; I153-T155 PolarHBondContact O-N 3.08Å
156	A	96.2	Very high	92.7	Very high	52 Å²	52	52.3 Å²	52.3	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-40.3	-179.5	0	0	0	0	0	112.8	K152 I153 L192	K152-A156 WeakPolarHBondContact O-CB 3.14Å; K152-A156 PolarHBondContact O-N 3.05Å; I153-A156 PolarHBondContact O-N 2.89Å; I153-A156 VanDerWaalsContact O-N 3.14Å; A156-L192 HydrophobicContact CB-CD1 4.08Å; A156-L192 HydrophobicContact CB-CD2 3.85Å
157	V	95.6	Very high	92.3	Very high	17 Å²	17	52.1 Å²	52.1	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-75.9	-34.5	178.9	175.5	0	0	0	0	111.7	I153 V159 Y188 F191 L192 M263	I153-V157 HydrophobicContact CG2-CG2 4.23Å; I153-V157 WeakPolarHBondContact O-CG2 3.45Å; I153-V157 PolarHBondContact O-N 2.77Å; V157-V159 HydrophobicContact CG1-CG2 3.78Å; V157-Y188 HydrophobicContact CG2-CG 4.49Å; V157-F191 HydrophobicContact CG1-CB 4.33Å; V157-F191 HydrophobicContact CG1-CD2 3.89Å; V157-F191 HydrophobicContact CG2-CB 4.41Å; V157-L192 HydrophobicContact CG2-CD2 3.78Å; V157-L192 HydrophobicContact CG2-CG 3.95Å; V157-M263 HydrophobicContact CG1-CE 3.51Å
158	N	95	Very high	92	Very high	115 Å²	115	49.7 Å²	49.7	62%	0.615	26%	0.258	S	S	*	.			trans	50.1	63.3	172.4	-170.6	42.1	0	0	0	114.2	R154 N264	R154-N158 PolarHBondContact O-N 3.46Å; N158-N264 PolarHBondContact O-OD1 2.57Å
159	V	95.4	Very high	91.9	Very high	29 Å²	29	44.4 Å²	44.4	18%	0.176	23%	0.233	C	C	.	.			trans	-76.9	125	176.5	-163.3	0	0	0	0	110.4	V157 D161 A164 M263 N264	V157-V159 HydrophobicContact CG1-CG2 3.78Å; V159-D161 HydrophobicContact CG1-CB 4.15Å; V159-D161 WeakPolarHBondContact CG1-OD2 3.36Å; V159-A164 HydrophobicContact CB-CB 3.73Å; V159-A164 HydrophobicContact CG1-CB 3.55Å; V159-A164 HydrophobicContact CG2-CB 4.48Å; V159-M263 HydrophobicContact CB-CE 4.24Å; V159-M263 HydrophobicContact CG1-CE 4.19Å; V159-M263 HydrophobicContact CG1-CG 4.15Å; V159-M263 HydrophobicContact CG2-CE 3.44Å; V159-M263 VanDerWaalsContact CG2-CE 3.44Å; V159-N264 VanDerWaalsContact CA-OD1 3.25Å; V159-N264 WeakPolarHBondContact CA-OD1 3.11Å
160	N	94.8	Very high	91.8	Very high	78 Å²	78	44 Å²	44	42%	0.417	23%	0.232	S	C	.	.			trans	-91.6	-5.9	-180	77.3	9.9	0	0	0	114.3	N264 S266	N160-N264 PolarHBondContact N-OD1 2.77Å; N160-N264 WeakPolarHBondContact OD1-CA 3.5Å; N160-S266 PolarHBondContact ND2-OG 2.84Å; N160-S266 PolarHBondContact OD1-N 2.79Å
161	D	93.7	Very high	91.7	Very high	5 Å²	5	44 Å²	44	3%	0.027	23%	0.232	C	C	.	.	S	Bend	trans	-68.7	133.1	-176.5	-52.1	-36.6	0	0	0	110.6	V159 A163 A164 N264 N265 S266 H270	V159-D161 HydrophobicContact CG1-CB 4.15Å; V159-D161 WeakPolarHBondContact CG1-OD2 3.36Å; D161-A163 PolarHBondContact O-N 2.82Å; D161-A164 HydrophobicContact CB-CB 4.44Å; D161-A164 VanDerWaalsContact O-CB 3.29Å; D161-A164 WeakPolarHBondContact O-CB 3.26Å; D161-A164 PolarHBondContact O-N 2.67Å; D161-N264 WeakPolarHBondContact OD1-CA 3.38Å; D161-N264 PolarHBondContact OD1-N 3.35Å; D161-N264 VanDerWaalsContact OD1-N 3.16Å; D161-N264 PolarHBondContact OD2-N 3.16Å; D161-N265 PolarHBondContact OD1-N 3.42Å; D161-N265 PolarHBondContact OD1-OD1 2.95Å; D161-S266 PolarHBondContact OD1-N 3.29Å; D161-S266 VanDerWaalsContact OD1-N 3.07Å; D161-H270 IonicContact OD2-ND1 2.63Å
162	P	88.9	Confident	91.6	Very high	72 Å²	72	38 Å²	38	47%	0.468	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-34	-168.7	-28.1	34	0	0	0	114.9
163	A	85.7	Confident	91.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.6	-177.3	0	0	0	0	0	114.5	F117 D161 H165 Y166 C268 P431	F117-A163 HydrophobicContact CE2-CB 4.25Å; F117-A163 HydrophobicContact CZ-CB 4.23Å; D161-A163 PolarHBondContact O-N 2.82Å; A163-H165 PolarHBondContact O-N 3.42Å; A163-H165 VanDerWaalsContact O-N 3.08Å; A163-Y166 PolarHBondContact O-N 2.71Å; A163-C268 WeakPolarHBondContact CB-O 3.38Å; A163-C268 PolarHBondContact N-O 3.34Å; A163-P431 HydrophobicContact CB-CB 3.5Å; A163-P431 VanDerWaalsContact CB-CB 3.5Å; A163-P431 HydrophobicContact CB-CG 3.82Å
164	A	87	Confident	90.9	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.2	-172.9	0	0	0	0	0	113.7	R154 V159 D161 Y166	R154-A164 PolarHBondContact NH1-O 2.9Å; V159-A164 HydrophobicContact CB-CB 3.73Å; V159-A164 HydrophobicContact CG1-CB 3.55Å; V159-A164 HydrophobicContact CG2-CB 4.48Å; D161-A164 HydrophobicContact CB-CB 4.44Å; D161-A164 VanDerWaalsContact O-CB 3.29Å; D161-A164 WeakPolarHBondContact O-CB 3.26Å; D161-A164 PolarHBondContact O-N 2.67Å; A164-Y166 VanDerWaalsContact C-N 3.33Å
165	H	81	Confident	90.2	Very high	105 Å²	105	33.6 Å²	33.6	49%	0.486	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-33.8	174.6	-172.4	63.2	0	0	0	112.6	R154 A163	R154-H165 PolarHBondContact NH1-O 2.91Å; A163-H165 PolarHBondContact O-N 3.42Å; A163-H165 VanDerWaalsContact O-N 3.08Å
166	Y	78.9	Confident	89.2	Confident	39 Å²	39	29.4 Å²	29.4	15%	0.153	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.4	-172	-54.6	-69.6	0	0	0	114.3	F117 A122 A163 A164 W168	F117-Y166 HydrophobicContact CE2-CD2 4.19Å; F117-Y166 HydrophobicContact CZ-CD2 4.03Å; F117-Y166 AromaticContact CZ-CE2 3.99Å; F117-Y166 HydrophobicContact CZ-CE2 3.99Å; A122-Y166 HydrophobicContact CB-CD1 3.8Å; A122-Y166 HydrophobicContact CB-CD2 4.24Å; A122-Y166 HydrophobicContact CB-CE1 3.67Å; A122-Y166 HydrophobicContact CB-CE2 4.14Å; A122-Y166 HydrophobicContact CB-CG 4.09Å; A163-Y166 PolarHBondContact O-N 2.71Å; A164-Y166 VanDerWaalsContact C-N 3.33Å; Y166-W168 VanDerWaalsContact C-N 3.27Å; Y166-W168 PolarHBondContact O-N 3.26Å
167	V	86.8	Confident	88.3	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.156	C	C	.	.			trans	-78.6	74	180	-164.5	0	0	0	0	110.8	Q169 Y170 S269	V167-Q169 HydrophobicContact CG1-CB 4.37Å; V167-Q169 PolarHBondContact O-N 3.41Å; V167-Y170 HydrophobicContact CB-CD2 4.04Å; V167-Y170 HydrophobicContact CB-CE2 4.39Å; V167-Y170 HydrophobicContact CB-CG 4.34Å; V167-Y170 HydrophobicContact CG1-CD1 3.78Å; V167-Y170 HydrophobicContact CG1-CD2 3.58Å; V167-Y170 HydrophobicContact CG1-CE1 3.92Å; V167-Y170 HydrophobicContact CG1-CE2 3.75Å; V167-Y170 HydrophobicContact CG1-CG 3.61Å; V167-Y170 PolarHBondContact O-N 3.44Å; V167-S269 WeakPolarHBondContact CG2-OG 3.49Å
168	W	89.2	Confident	87.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.9	177.9	64.4	-89.8	0	0	0	112.2	Y166 Y170 L171 N172 S178 L183 N379 P398	Y166-W168 VanDerWaalsContact C-N 3.27Å; Y166-W168 PolarHBondContact O-N 3.26Å; W168-Y170 PolarHBondContact O-N 3.26Å; W168-Y170 VanDerWaalsContact O-N 3.09Å; W168-L171 CarbonylContact O-C 3.56Å; W168-L171 VanDerWaalsContact O-C 3.23Å; W168-L171 PolarHBondContact O-N 2.89Å; W168-L171 VanDerWaalsContact O-N 3.15Å; W168-N172 HydrophobicContact CB-CB 4.48Å; W168-N172 HydrophobicContact CE3-CB 4.37Å; W168-N172 WeakPolarHBondContact O-CB 3.34Å; W168-N172 PolarHBondContact O-N 2.81Å; W168-S178 VanDerWaalsContact CE3-CB 3.42Å; W168-L183 HydrophobicContact CZ3-CD2 4.24Å; W168-L183 HydrophobicContact CZ3-CG 4.29Å; W168-L183 WeakPolarHBondContact CZ3-O 3.09Å; W168-N379 HydrophobicContact CH2-CB 4.07Å; W168-N379 HydrophobicContact CZ2-CB 3.93Å; W168-P398 HydrophobicContact CH2-CB 3.84Å; W168-P398 HydrophobicContact CZ3-CB 3.84Å
169	Q	92.7	Very high	87.3	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.5	178.2	-57.9	83	-7.8	0	0	112.2	V167 D184 I185 P398 N429 M452	V167-Q169 HydrophobicContact CG1-CB 4.37Å; V167-Q169 PolarHBondContact O-N 3.41Å; Q169-D184 CarbonylContact O-C 3.14Å; Q169-D184 WeakPolarHBondContact O-CA 3.49Å; Q169-D184 WeakPolarHBondContact O-CB 2.95Å; Q169-I185 VanDerWaalsContact O-CG1 3.24Å; Q169-I185 WeakPolarHBondContact O-CG1 3.08Å; Q169-I185 PolarHBondContact O-N 3.31Å; Q169-P398 WeakPolarHBondContact CG-O 3.18Å; Q169-N429 PolarHBondContact NE2-O 3.38Å; Q169-M452 HydrophobicContact CB-CE 3.75Å
170	Y	94.4	Very high	87	Confident	1 Å²	1	21.4 Å²	21.4	0%	0.004	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-32.9	179.6	-66	-8.5	0	0	0	113.3	V167 W168 I185 L187 Y188 H270 V272 M452	V167-Y170 HydrophobicContact CB-CD2 4.04Å; V167-Y170 HydrophobicContact CB-CE2 4.39Å; V167-Y170 HydrophobicContact CB-CG 4.34Å; V167-Y170 HydrophobicContact CG1-CD1 3.78Å; V167-Y170 HydrophobicContact CG1-CD2 3.58Å; V167-Y170 HydrophobicContact CG1-CE1 3.92Å; V167-Y170 HydrophobicContact CG1-CE2 3.75Å; V167-Y170 HydrophobicContact CG1-CG 3.61Å; V167-Y170 PolarHBondContact O-N 3.44Å; W168-Y170 PolarHBondContact O-N 3.26Å; W168-Y170 VanDerWaalsContact O-N 3.09Å; Y170-I185 HydrophobicContact CD1-CD1 3.95Å; Y170-I185 HydrophobicContact CD1-CG1 4.14Å; Y170-I185 HydrophobicContact CE1-CD1 4.3Å; Y170-L187 HydrophobicContact CD1-CD2 3.77Å; Y170-L187 HydrophobicContact CD2-CD2 3.58Å; Y170-L187 HydrophobicContact CE1-CD2 4.11Å; Y170-L187 HydrophobicContact CE2-CD2 3.93Å; Y170-L187 HydrophobicContact CG-CB 4.4Å; Y170-L187 HydrophobicContact CG-CD2 3.49Å; Y170-L187 VanDerWaalsContact CG-CD2 3.49Å; Y170-L187 PolarHBondContact O-N 3.43Å; Y170-Y188 HydrophobicContact CD2-CE1 4.07Å; Y170-Y188 HydrophobicContact CG-CE1 4.47Å; Y170-H270 AromaticContact CD2-CE1 3.8Å; Y170-H270 AromaticContact CD2-NE2 3.34Å; Y170-H270 VanDerWaalsContact CD2-NE2 3.34Å; Y170-H270 WeakPolarHBondContact CD2-NE2 3.47Å; Y170-H270 AromaticContact CE2-CD2 3.7Å; Y170-H270 AromaticContact CE2-CE1 3.84Å; Y170-H270 AromaticContact CE2-NE2 3.4Å; Y170-H270 WeakPolarHBondContact CE2-NE2 3.5Å; Y170-H270 WeakPolarHBondContact CE2-O 3.39Å; Y170-H270 PolarHBondContact OH-O 2.77Å; Y170-V272 HydrophobicContact CD1-CG2 4.43Å; Y170-V272 HydrophobicContact CE1-CG2 3.56Å; Y170-M452 HydrophobicContact CD1-CE 4.02Å; Y170-M452 HydrophobicContact CE1-CE 3.77Å
171	L	94	Very high	86.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-163.9	107.7	177.5	-177.1	69.1	0	0	0	109.7	Y146 Y149 A150 I153 R154 W168 Y188	Y146-L171 HydrophobicContact CE1-CD1 4.36Å; Y149-L171 HydrophobicContact CE1-CD1 4.16Å; A150-L171 HydrophobicContact CB-CD1 4.49Å; A150-L171 HydrophobicContact CB-CD2 4.08Å; A150-L171 HydrophobicContact CB-CG 4.23Å; I153-L171 HydrophobicContact CB-CD2 4.22Å; I153-L171 HydrophobicContact CG2-CD2 3.86Å; R154-L171 HydrophobicContact CG-CD2 3.84Å; R154-L171 PolarHBondContact NH2-O 2.91Å; W168-L171 CarbonylContact O-C 3.56Å; W168-L171 VanDerWaalsContact O-C 3.23Å; W168-L171 PolarHBondContact O-N 2.89Å; W168-L171 VanDerWaalsContact O-N 3.15Å; L171-Y188 HydrophobicContact CB-CD2 4.07Å; L171-Y188 HydrophobicContact CB-CE2 4.37Å; L171-Y188 HydrophobicContact CB-CG 4.45Å; L171-Y188 HydrophobicContact CD2-CD2 3.7Å; L171-Y188 HydrophobicContact CD2-CE2 4.37Å; L171-Y188 HydrophobicContact CD2-CG 4.44Å
172	N	92.9	Very high	86.9	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.			trans	-103.9	103.8	-171.6	-175.3	6.3	0	0	0	112.2	Y146 W168 G174 S178 L180 G182 L183 D184	Y146-N172 WeakPolarHBondContact CE1-O 3.5Å; W168-N172 HydrophobicContact CB-CB 4.48Å; W168-N172 HydrophobicContact CE3-CB 4.37Å; W168-N172 WeakPolarHBondContact O-CB 3.34Å; W168-N172 PolarHBondContact O-N 2.81Å; N172-G174 PolarHBondContact OD1-N 2.73Å; N172-S178 WeakPolarHBondContact ND2-CB 3.16Å; N172-S178 PolarHBondContact ND2-OG 3.38Å; N172-S178 PolarHBondContact OD1-O 3.03Å; N172-L180 PolarHBondContact ND2-O 2.93Å; N172-G182 PolarHBondContact O-N 3.46Å; N172-L183 WeakPolarHBondContact CB-O 3.44Å; N172-L183 PolarHBondContact ND2-O 3.41Å; N172-D184 HydrophobicContact CB-CB 3.95Å; N172-D184 PolarHBondContact N-OD2 2.98Å
173	D	90.6	Very high	87.1	Confident	17 Å²	17	15.2 Å²	15.2	9%	0.091	9%	0.086	C	C	.	.			trans	-97.2	10.2	177	64.1	-5.3	0	0	0	113.3	A150 S175	A150-D173 HydrophobicContact CB-CB 3.71Å; D173-S175 VanDerWaalsContact CG-OG 3.3Å; D173-S175 PolarHBondContact O-N 2.9Å; D173-S175 WeakPolarHBondContact OD1-CB 3.18Å; D173-S175 PolarHBondContact OD1-N 3.47Å; D173-S175 PolarHBondContact OD1-OG 2.93Å; D173-S175 PolarHBondContact OD2-OG 3.22Å
174	G	86.3	Confident	87.6	Confident	12 Å²	12	15.1 Å²	15.1	12%	0.124	9%	0.085	C	C	.	.	S	Bend	trans	70.6	11.7	-175.9	0	0	0	0	0	113.7	K127 N172	K127-G174 WeakPolarHBondContact CE-O 3.48Å; K127-G174 PolarHBondContact NZ-O 3.22Å; N172-G174 PolarHBondContact OD1-N 2.73Å
175	S	78.8	Confident	88.1	Confident	45 Å²	45	14.9 Å²	14.9	32%	0.315	8%	0.084	S	C	.	.	S	Bend	trans	-81.2	-17.8	175.8	73.5	0	0	0	0	113.2	K127 D173	K127-S175 WeakPolarHBondContact CE-O 3.05Å; D173-S175 VanDerWaalsContact CG-OG 3.3Å; D173-S175 PolarHBondContact O-N 2.9Å; D173-S175 WeakPolarHBondContact OD1-CB 3.18Å; D173-S175 PolarHBondContact OD1-N 3.47Å; D173-S175 PolarHBondContact OD1-OG 2.93Å; D173-S175 PolarHBondContact OD2-OG 3.22Å
176	S	75.5	Confident	88.9	Confident	23 Å²	23	10 Å²	10	16%	0.161	6%	0.061	C	C	.	.	S	Bend	trans	-110.3	-154.2	-173.5	-171.5	0	0	0	0	112.4	S178	S176-S178 PolarHBondContact O-N 3.19Å
177	V	76.6	Confident	89.7	Confident	15 Å²	15	8.1 Å²	8.1	9%	0.091	5%	0.053	C	C	.	.	S	Bend	trans	-68.4	-31.3	-173.8	-174.6	0	0	0	0	113.3	L125 P179 N379 F428	L125-V177 HydrophobicContact CB-CG2 4.46Å; L125-V177 HydrophobicContact CD1-CG2 3.87Å; V177-P179 WeakPolarHBondContact O-CD 3.28Å; V177-N379 PolarHBondContact O-ND2 2.92Å; V177-F428 HydrophobicContact CG1-CD1 3.6Å; V177-F428 HydrophobicContact CG1-CE1 4.24Å; V177-F428 HydrophobicContact CG1-CG 4.39Å
178	S	85.4	Confident	90.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.053	C	C	.	.			trans	-85.6	118.8	173.1	177.2	0	0	0	0	109.9	W168 N172 S176 L180 N379	W168-S178 VanDerWaalsContact CE3-CB 3.42Å; N172-S178 WeakPolarHBondContact ND2-CB 3.16Å; N172-S178 PolarHBondContact ND2-OG 3.38Å; N172-S178 PolarHBondContact OD1-O 3.03Å; S176-S178 PolarHBondContact O-N 3.19Å; S178-L180 VanDerWaalsContact C-N 3.34Å; S178-L180 PolarHBondContact OG-N 2.96Å; S178-N379 VanDerWaalsContact CB-O 3.27Å; S178-N379 WeakPolarHBondContact CB-O 3.28Å; S178-N379 PolarHBondContact OG-O 3Å
179	P	85.4	Confident	90.6	Very high	18 Å²	18	8.1 Å²	8.1	12%	0.117	5%	0.053	C	C	.	.			trans	-82.4	-13.8	175.7	36.2	-38.4	0	0	0	112.6	I128 L130 V177 I181 L380	I128-P179 WeakPolarHBondContact O-CB 3.35Å; I128-P179 WeakPolarHBondContact O-CG 3.47Å; L130-P179 HydrophobicContact CD1-CB 4.21Å; L130-P179 WeakPolarHBondContact CD1-O 3.49Å; L130-P179 HydrophobicContact CD2-CG 4.34Å; L130-P179 HydrophobicContact CG-CB 3.84Å; L130-P179 HydrophobicContact CG-CG 3.87Å; V177-P179 WeakPolarHBondContact O-CD 3.28Å; P179-I181 PolarHBondContact O-N 2.99Å; P179-I181 VanDerWaalsContact O-N 3.14Å; P179-L380 HydrophobicContact CG-CD2 3.67Å
180	L	89.3	Confident	90.8	Very high	12 Å²	12	8.1 Å²	8.1	6%	0.063	5%	0.053	C	C	.	.	S	Bend	trans	-80.2	92.4	-177.9	-174.1	59.9	0	0	0	111.1	L130 M134 N172 S178 G182 L183 P483 F763	L130-L180 HydrophobicContact CD2-CB 4.17Å; L130-L180 HydrophobicContact CD2-CD1 3.98Å; M134-L180 HydrophobicContact CE-CD1 4.18Å; M134-L180 HydrophobicContact CE-CD2 3.8Å; M134-L180 HydrophobicContact CE-CG 4.45Å; N172-L180 PolarHBondContact ND2-O 2.93Å; S178-L180 VanDerWaalsContact C-N 3.34Å; S178-L180 PolarHBondContact OG-N 2.96Å; L180-G182 PolarHBondContact O-N 3.2Å; L180-L183 HydrophobicContact CB-CB 4.11Å; L180-L183 HydrophobicContact CB-CD2 4.44Å; L180-L183 HydrophobicContact CD2-CB 4.08Å; L180-L183 HydrophobicContact CD2-CD2 4.24Å; L180-L183 HydrophobicContact CG-CB 4.07Å; L180-L183 VanDerWaalsContact O-CB 3.27Å; L180-L183 WeakPolarHBondContact O-CB 3.33Å; L180-L183 PolarHBondContact O-N 2.78Å; L180-P483 VanDerWaalsContact CD2-O 3.28Å; L180-P483 WeakPolarHBondContact CD2-O 3.17Å; L180-F763 HydrophobicContact CD1-CZ 4.31Å; L180-F763 HydrophobicContact CD2-CZ 4.48Å
181	I	92	Very high	91	Very high	17 Å²	17	9.2 Å²	9.2	9%	0.087	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	128.9	-176.5	-67.1	173.4	0	0	0	111.5	Y142 N143 Y146 I147 P179 L183	Y142-I181 HydrophobicContact CE1-CB 4.46Å; Y142-I181 HydrophobicContact CE1-CG2 4.05Å; N143-I181 HydrophobicContact CB-CD1 3.73Å; Y146-I181 HydrophobicContact CD1-CG2 3.31Å; Y146-I181 HydrophobicContact CE1-CG2 4.05Å; Y146-I181 HydrophobicContact CG-CG2 3.61Å; I147-I181 HydrophobicContact CD1-CD1 3.83Å; I147-I181 HydrophobicContact CG1-CD1 4.01Å; P179-I181 PolarHBondContact O-N 2.99Å; P179-I181 VanDerWaalsContact O-N 3.14Å; I181-L183 VanDerWaalsContact C-N 3.34Å
182	G	93	Very high	91.1	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.031	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	3.9	-176.9	0	0	0	0	0	115.2	N172 L180 D184 R481	N172-G182 PolarHBondContact O-N 3.46Å; L180-G182 PolarHBondContact O-N 3.2Å; G182-D184 PolarHBondContact O-N 3.36Å; G182-R481 PolarHBondContact O-NH1 2.63Å; G182-R481 PolarHBondContact O-NH2 3Å
183	L	94.1	Very high	91.2	Very high	5 Å²	5	14.8 Å²	14.8	3%	0.026	9%	0.086	C	C	.	.			trans	-76.7	95.2	163	177.4	68.9	0	0	0	109.2	W168 N172 L180 I181 I377 G381 P398 P483	W168-L183 HydrophobicContact CZ3-CD2 4.24Å; W168-L183 HydrophobicContact CZ3-CG 4.29Å; W168-L183 WeakPolarHBondContact CZ3-O 3.09Å; N172-L183 WeakPolarHBondContact CB-O 3.44Å; N172-L183 PolarHBondContact ND2-O 3.41Å; L180-L183 HydrophobicContact CB-CB 4.11Å; L180-L183 HydrophobicContact CB-CD2 4.44Å; L180-L183 HydrophobicContact CD2-CB 4.08Å; L180-L183 HydrophobicContact CD2-CD2 4.24Å; L180-L183 HydrophobicContact CG-CB 4.07Å; L180-L183 VanDerWaalsContact O-CB 3.27Å; L180-L183 WeakPolarHBondContact O-CB 3.33Å; L180-L183 PolarHBondContact O-N 2.78Å; I181-L183 VanDerWaalsContact C-N 3.34Å; L183-I377 HydrophobicContact CD1-CD1 4.17Å; L183-G381 VanDerWaalsContact CD2-N 3.28Å; L183-P398 HydrophobicContact CG-CB 4.44Å; L183-P483 HydrophobicContact CD1-CB 3.62Å
184	D	95.4	Very high	91.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-161.8	-179.1	-177.9	52.3	46.3	0	0	0	109.8	Y146 Q169 N172 G182 N186 R481	Y146-D184 PolarHBondContact OH-OD2 3.04Å; Q169-D184 CarbonylContact O-C 3.14Å; Q169-D184 WeakPolarHBondContact O-CA 3.49Å; Q169-D184 WeakPolarHBondContact O-CB 2.95Å; N172-D184 HydrophobicContact CB-CB 3.95Å; N172-D184 PolarHBondContact N-OD2 2.98Å; G182-D184 PolarHBondContact O-N 3.36Å; D184-N186 VanDerWaalsContact C-N 3.34Å; D184-N186 WeakPolarHBondContact OD1-CA 3.48Å; D184-N186 PolarHBondContact OD1-N 3.2Å; D184-R481 PolarHBondContact O-NH2 3Å; D184-R481 IonicContact OD1-NH2 3.34Å; D184-R481 PolarHBondContact OD1-NH2 2.86Å; D184-R481 VanDerWaalsContact OD1-NH2 3.09Å
185	I	97.5	Very high	92	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.			trans	-90.6	6.3	171.4	63.5	153.6	0	0	0	113.5	Q169 Y170 L187 V272 V397 P398 M452 I508 C510	Q169-I185 VanDerWaalsContact O-CG1 3.24Å; Q169-I185 WeakPolarHBondContact O-CG1 3.08Å; Q169-I185 PolarHBondContact O-N 3.31Å; Y170-I185 HydrophobicContact CD1-CD1 3.95Å; Y170-I185 HydrophobicContact CD1-CG1 4.14Å; Y170-I185 HydrophobicContact CE1-CD1 4.3Å; I185-L187 HydrophobicContact CD1-CB 4.1Å; I185-L187 HydrophobicContact CD1-CD1 4.43Å; I185-L187 HydrophobicContact CD1-CD2 4.46Å; I185-L187 HydrophobicContact CG1-CB 4.17Å; I185-L187 PolarHBondContact O-N 3.09Å; I185-V272 HydrophobicContact CD1-CG1 4.1Å; I185-V272 HydrophobicContact CD1-CG2 3.82Å; I185-V397 HydrophobicContact CG2-CG1 3.7Å; I185-P398 HydrophobicContact CG2-CG 4.1Å; I185-M452 HydrophobicContact CD1-CE 3.89Å; I185-M452 HydrophobicContact CG1-CE 4.11Å; I185-M452 HydrophobicContact CG2-CE 3.96Å; I185-I508 WeakPolarHBondContact CA-O 3.4Å; I185-I508 HydrophobicContact CB-CG2 4.49Å; I185-I508 HydrophobicContact CG2-CG2 3.93Å; I185-C510 WeakPolarHBondContact O-CB 3.44Å; I185-C510 PolarHBondContact O-N 3.3Å
186	N	97.3	Very high	92.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.093	C	C	.	.			trans	50.6	54.2	179	-166.4	20	0	0	0	113.4	D184 D509 Y511 S774	D184-N186 VanDerWaalsContact C-N 3.34Å; D184-N186 WeakPolarHBondContact OD1-CA 3.48Å; D184-N186 PolarHBondContact OD1-N 3.2Å; N186-D509 WeakPolarHBondContact CB-OD1 3.43Å; N186-D509 PolarHBondContact ND2-OD1 3.29Å; N186-D509 PolarHBondContact ND2-OD2 3.23Å; N186-Y511 WeakPolarHBondContact ND2-CB 3.39Å; N186-Y511 WeakPolarHBondContact O-CB 3.47Å; N186-Y511 PolarHBondContact O-N 2.65Å; N186-S774 VanDerWaalsContact CG-OG 3.27Å; N186-S774 PolarHBondContact ND2-OG 3.29Å; N186-S774 PolarHBondContact OD1-OG 2.89Å
187	L	97.5	Very high	94	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.			trans	-79.7	-49.7	-168.4	-179.5	58.9	0	0	0	113.5	Y170 I185 P189 I190 F191 V272 L459	Y170-L187 HydrophobicContact CD1-CD2 3.77Å; Y170-L187 HydrophobicContact CD2-CD2 3.58Å; Y170-L187 HydrophobicContact CE1-CD2 4.11Å; Y170-L187 HydrophobicContact CE2-CD2 3.93Å; Y170-L187 HydrophobicContact CG-CB 4.4Å; Y170-L187 HydrophobicContact CG-CD2 3.49Å; Y170-L187 VanDerWaalsContact CG-CD2 3.49Å; Y170-L187 PolarHBondContact O-N 3.43Å; I185-L187 HydrophobicContact CD1-CB 4.1Å; I185-L187 HydrophobicContact CD1-CD1 4.43Å; I185-L187 HydrophobicContact CD1-CD2 4.46Å; I185-L187 HydrophobicContact CG1-CB 4.17Å; I185-L187 PolarHBondContact O-N 3.09Å; L187-P189 VanDerWaalsContact C-CD 3.45Å; L187-I190 HydrophobicContact CD1-CD1 4.14Å; L187-I190 WeakPolarHBondContact O-CB 3.39Å; L187-I190 WeakPolarHBondContact O-CD1 3.43Å; L187-I190 VanDerWaalsContact O-CG1 3.29Å; L187-I190 WeakPolarHBondContact O-CG1 3.14Å; L187-I190 PolarHBondContact O-N 3.23Å; L187-I190 VanDerWaalsContact O-N 3.09Å; L187-F191 HydrophobicContact CD1-CE1 4.28Å; L187-F191 HydrophobicContact CD1-CZ 3.98Å; L187-F191 HydrophobicContact CD2-CE2 4.09Å; L187-F191 HydrophobicContact CD2-CZ 3.9Å; L187-F191 HydrophobicContact CG-CE2 4.02Å; L187-F191 HydrophobicContact CG-CZ 3.83Å; L187-V272 HydrophobicContact CD1-CG1 3.79Å; L187-V272 HydrophobicContact CD2-CG2 4.49Å; L187-L459 HydrophobicContact CD1-CD1 3.57Å
188	Y	96.6	Very high	95	Very high	2 Å²	2	19 Å²	19	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-31.6	-162.3	-75	1.4	0	0	0	116.9	I153 R154 V157 Y170 L171 I190 F191 H270	I153-Y188 HydrophobicContact CG2-CD2 4.1Å; I153-Y188 HydrophobicContact CG2-CG 4.25Å; R154-Y188 HydrophobicContact CG-CD2 4.3Å; R154-Y188 HydrophobicContact CG-CE2 4.14Å; V157-Y188 HydrophobicContact CG2-CG 4.49Å; Y170-Y188 HydrophobicContact CD2-CE1 4.07Å; Y170-Y188 HydrophobicContact CG-CE1 4.47Å; L171-Y188 HydrophobicContact CB-CD2 4.07Å; L171-Y188 HydrophobicContact CB-CE2 4.37Å; L171-Y188 HydrophobicContact CB-CG 4.45Å; L171-Y188 HydrophobicContact CD2-CD2 3.7Å; L171-Y188 HydrophobicContact CD2-CE2 4.37Å; L171-Y188 HydrophobicContact CD2-CG 4.44Å; Y188-I190 PolarHBondContact O-N 3.27Å; Y188-I190 VanDerWaalsContact O-N 3.17Å; Y188-F191 HydrophobicContact CD1-CD2 4.04Å; Y188-F191 AromaticContact CD1-CE2 3.94Å; Y188-F191 HydrophobicContact CD1-CE2 3.94Å; Y188-F191 HydrophobicContact CE1-CE2 4.2Å; Y188-F191 PolarHBondContact O-N 3.21Å; Y188-F191 VanDerWaalsContact O-N 3.11Å; Y188-H270 AromaticContact CE1-NE2 3.45Å; Y188-H270 WeakPolarHBondContact CE1-NE2 3.46Å; Y188-H270 AromaticContact CZ-NE2 3.97Å; Y188-H270 PolarHBondContact OH-CE1 2.91Å; Y188-H270 VanDerWaalsContact OH-CE1 3.29Å
189	P	97.3	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.2	-29.7	173.5	-29.8	40.4	0	0	0	113.6	Y149 I153 L187 F191 L192 Y511 I777	Y149-P189 WeakPolarHBondContact OH-CG 3.24Å; I153-P189 HydrophobicContact CD1-CG 4.46Å; L187-P189 VanDerWaalsContact C-CD 3.45Å; P189-F191 VanDerWaalsContact C-N 3.28Å; P189-F191 PolarHBondContact O-N 2.88Å; P189-L192 PolarHBondContact O-N 3.33Å; P189-Y511 HydrophobicContact CB-CD1 4.03Å; P189-Y511 HydrophobicContact CB-CD2 3.72Å; P189-Y511 HydrophobicContact CB-CE1 4.03Å; P189-Y511 HydrophobicContact CB-CE2 3.69Å; P189-Y511 HydrophobicContact CB-CG 3.88Å; P189-I777 HydrophobicContact CB-CD1 4.02Å; P189-I777 WeakPolarHBondContact O-CD1 3.33Å
190	I	97.8	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-37.8	179.2	-56.6	166.9	0	0	0	110.9	L187 Y188 L192 E193 V195 L459 C510 Y511 V514	L187-I190 HydrophobicContact CD1-CD1 4.14Å; L187-I190 WeakPolarHBondContact O-CB 3.39Å; L187-I190 WeakPolarHBondContact O-CD1 3.43Å; L187-I190 VanDerWaalsContact O-CG1 3.29Å; L187-I190 WeakPolarHBondContact O-CG1 3.14Å; L187-I190 PolarHBondContact O-N 3.23Å; L187-I190 VanDerWaalsContact O-N 3.09Å; Y188-I190 PolarHBondContact O-N 3.27Å; Y188-I190 VanDerWaalsContact O-N 3.17Å; I190-L192 PolarHBondContact O-N 2.92Å; I190-E193 PolarHBondContact O-N 3.4Å; I190-E193 VanDerWaalsContact O-N 3.14Å; I190-V195 HydrophobicContact CG2-CB 3.59Å; I190-V195 HydrophobicContact CG2-CG1 3.76Å; I190-V195 PolarHBondContact O-N 2.97Å; I190-L459 HydrophobicContact CD1-CD1 3.71Å; I190-L459 HydrophobicContact CG2-CB 4.43Å; I190-L459 HydrophobicContact CG2-CD1 4.21Å; I190-L459 HydrophobicContact CG2-CD2 4.14Å; I190-C510 HydrophobicContact CD1-CB 3.88Å; I190-Y511 HydrophobicContact CG1-CD2 3.67Å; I190-Y511 HydrophobicContact CG1-CG 4.34Å; I190-V514 HydrophobicContact CD1-CG2 4.13Å; I190-V514 HydrophobicContact CG1-CG2 4.41Å; I190-V514 HydrophobicContact CG2-CG2 4.26Å
191	F	96.8	Very high	96.7	Very high	24 Å²	24	23 Å²	23	11%	0.105	13%	0.134	C	C	.	.	H	α-helix	trans	-70.1	-30.4	-178.4	-61.6	-25.4	0	0	0	113	V157 L187 Y188 P189 E193 N194 V195 T196 M263 P274 L459	V157-F191 HydrophobicContact CG1-CB 4.33Å; V157-F191 HydrophobicContact CG1-CD2 3.89Å; V157-F191 HydrophobicContact CG2-CB 4.41Å; L187-F191 HydrophobicContact CD1-CE1 4.28Å; L187-F191 HydrophobicContact CD1-CZ 3.98Å; L187-F191 HydrophobicContact CD2-CE2 4.09Å; L187-F191 HydrophobicContact CD2-CZ 3.9Å; L187-F191 HydrophobicContact CG-CE2 4.02Å; L187-F191 HydrophobicContact CG-CZ 3.83Å; Y188-F191 HydrophobicContact CD1-CD2 4.04Å; Y188-F191 AromaticContact CD1-CE2 3.94Å; Y188-F191 HydrophobicContact CD1-CE2 3.94Å; Y188-F191 HydrophobicContact CE1-CE2 4.2Å; Y188-F191 PolarHBondContact O-N 3.21Å; Y188-F191 VanDerWaalsContact O-N 3.11Å; P189-F191 VanDerWaalsContact C-N 3.28Å; P189-F191 PolarHBondContact O-N 2.88Å; F191-E193 PolarHBondContact O-N 3.08Å; F191-N194 WeakPolarHBondContact O-CA 3.12Å; F191-N194 PolarHBondContact O-N 2.84Å; F191-V195 WeakPolarHBondContact CD1-O 3.49Å; F191-T196 HydrophobicContact CD1-CG2 4.25Å; F191-M263 HydrophobicContact CD2-CE 3.97Å; F191-M263 HydrophobicContact CD2-SD 4Å; F191-M263 HydrophobicContact CE2-CE 4.2Å; F191-M263 HydrophobicContact CE2-SD 3.84Å; F191-M263 HydrophobicContact CZ-SD 4.33Å; F191-P274 HydrophobicContact CE1-CG 4.04Å; F191-P274 HydrophobicContact CZ-CG 4.02Å; F191-L459 HydrophobicContact CE1-CD2 4.43Å
192	L	96.3	Very high	97	Very high	64 Å²	64	22.1 Å²	22.1	34%	0.335	13%	0.129	S	C	.	.	H	α-helix	trans	-69.7	-22.3	173.2	-62.6	-175.2	0	0	0	112.5	I153 A156 V157 P189 I190 N194 I777 F778	I153-L192 HydrophobicContact CD1-CD1 3.65Å; A156-L192 HydrophobicContact CB-CD1 4.08Å; A156-L192 HydrophobicContact CB-CD2 3.85Å; V157-L192 HydrophobicContact CG2-CD2 3.78Å; V157-L192 HydrophobicContact CG2-CG 3.95Å; P189-L192 PolarHBondContact O-N 3.33Å; I190-L192 PolarHBondContact O-N 2.92Å; L192-N194 PolarHBondContact O-N 2.84Å; L192-I777 HydrophobicContact CB-CD1 3.65Å; L192-I777 HydrophobicContact CB-CG1 4.42Å; L192-I777 HydrophobicContact CD1-CD1 4.14Å; L192-I777 HydrophobicContact CG-CD1 4.44Å; L192-F778 HydrophobicContact CD1-CE1 4.49Å; L192-F778 HydrophobicContact CD1-CZ 4.46Å
193	E	95.6	Very high	97.3	Very high	52 Å²	52	22 Å²	22	24%	0.243	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	10.4	170	-64	-174.9	-161.5	0	0	112.9	I190 F191 V195 Y511 K515 K518 I777	I190-E193 PolarHBondContact O-N 3.4Å; I190-E193 VanDerWaalsContact O-N 3.14Å; F191-E193 PolarHBondContact O-N 3.08Å; E193-V195 PolarHBondContact O-N 3.44Å; E193-Y511 VanDerWaalsContact OE1-CE2 3.27Å; E193-Y511 WeakPolarHBondContact OE1-CE2 3.32Å; E193-Y511 PolarHBondContact OE1-OH 2.77Å; E193-K515 WeakPolarHBondContact OE1-CE 3.34Å; E193-K515 IonicContact OE1-NZ 3.95Å; E193-K515 PolarHBondContact OE1-NZ 2.87Å; E193-K515 IonicContact OE2-NZ 3.34Å; E193-K515 PolarHBondContact OE2-NZ 3.08Å; E193-K515 VanDerWaalsContact OE2-NZ 3.07Å; E193-K518 IonicContact OE2-NZ 3.66Å; E193-K518 PolarHBondContact OE2-NZ 2.94Å; E193-I777 HydrophobicContact CG-CD1 4.07Å
194	N	95.4	Very high	97.5	Very high	101 Å²	101	22 Å²	22	54%	0.54	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	35.2	-178.1	-171.7	27.5	0	0	0	112.5	F191 L192 R198	F191-N194 WeakPolarHBondContact O-CA 3.12Å; F191-N194 PolarHBondContact O-N 2.84Å; L192-N194 PolarHBondContact O-N 2.84Å; N194-R198 PolarHBondContact O-NH2 2.86Å; N194-R198 PolarHBondContact OD1-NH1 3.38Å; N194-R198 PolarHBondContact OD1-NH2 2.88Å
195	V	98.3	Very high	97.6	Very high	9 Å²	9	22 Å²	22	6%	0.055	13%	0.128	C	C	.	.			trans	-102.8	128.4	170.3	175.8	0	0	0	0	107.9	I190 F191 E193 L459 E462	I190-V195 HydrophobicContact CG2-CB 3.59Å; I190-V195 HydrophobicContact CG2-CG1 3.76Å; I190-V195 PolarHBondContact O-N 2.97Å; F191-V195 WeakPolarHBondContact CD1-O 3.49Å; E193-V195 PolarHBondContact O-N 3.44Å; V195-L459 HydrophobicContact CG1-CB 4.18Å; V195-L459 HydrophobicContact CG1-CD2 4.09Å; V195-L459 WeakPolarHBondContact CG1-O 3.49Å; V195-E462 HydrophobicContact CG1-CB 4.21Å; V195-E462 HydrophobicContact CG1-CG 4.29Å
196	T	98.1	Very high	97.6	Very high	13 Å²	13	22 Å²	22	8%	0.08	13%	0.128	C	C	.	.	S	Bend	trans	-144.3	1.9	-167.2	51	0	0	0	0	114.6	F191 R198 A273 P274 K275 L459 E462	F191-T196 HydrophobicContact CD1-CG2 4.25Å; T196-R198 WeakPolarHBondContact OG1-CG 3.4Å; T196-R198 VanDerWaalsContact OG1-CZ 3.28Å; T196-R198 PolarHBondContact OG1-NH1 3.47Å; T196-A273 CarbonylContact O-C 3.43Å; T196-A273 WeakPolarHBondContact O-CA 3.47Å; T196-P274 WeakPolarHBondContact O-CD 3.21Å; T196-K275 PolarHBondContact O-N 2.99Å; T196-L459 VanDerWaalsContact C-CD2 3.48Å; T196-E462 PolarHBondContact N-OE2 3.38Å
197	G	98.6	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.			trans	88.6	18.4	-172.2	0	0	0	0	0	113.7	T200 K275 T276 E462	G197-T200 PolarHBondContact O-N 3.18Å; G197-T200 PolarHBondContact O-OG1 2.57Å; G197-K275 CarbonylContact O-C 3.55Å; G197-T276 WeakPolarHBondContact O-CA 3.46Å; G197-T276 PolarHBondContact O-N 2.88Å; G197-E462 WeakPolarHBondContact CA-OE2 3.45Å; G197-E462 PolarHBondContact N-OE2 2.79Å
198	R	98.3	Very high	97	Very high	78 Å²	78	22.1 Å²	22.1	29%	0.294	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	139.9	179.6	-73.9	176.9	-53.8	-106.4	4.1	110.7	N194 T196 T200 K275 E462	N194-R198 PolarHBondContact O-NH2 2.86Å; N194-R198 PolarHBondContact OD1-NH1 3.38Å; N194-R198 PolarHBondContact OD1-NH2 2.88Å; T196-R198 WeakPolarHBondContact OG1-CG 3.4Å; T196-R198 VanDerWaalsContact OG1-CZ 3.28Å; T196-R198 PolarHBondContact OG1-NH1 3.47Å; R198-T200 PolarHBondContact O-N 2.85Å; R198-K275 HydrophobicContact CG-CB 3.45Å; R198-K275 VanDerWaalsContact CG-CB 3.45Å; R198-K275 HydrophobicContact CG-CD 3.69Å; R198-K275 HydrophobicContact CG-CG 4.21Å; R198-E462 IonicContact CZ-OE1 3.19Å; R198-E462 VanDerWaalsContact CZ-OE1 3.28Å; R198-E462 PolarHBondContact N-OE2 2.71Å; R198-E462 IonicContact NE-OE1 3.34Å; R198-E462 PolarHBondContact NE-OE1 3.49Å; R198-E462 IonicContact NH2-OE1 2.87Å; R198-E462 PolarHBondContact NH2-OE1 2.98Å
199	G	97.8	Very high	97	Very high	78 Å²	78	22.2 Å²	22.2	80%	0.804	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	7.2	-179.8	0	0	0	0	0	113.7
200	T	98.6	Very high	96.9	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.025	13%	0.13	C	C	.	.			trans	-110.1	152.8	174	65.1	0	0	0	0	112.3	G197 R198 T276 K277 N305 A458 L461	G197-T200 PolarHBondContact O-N 3.18Å; G197-T200 PolarHBondContact O-OG1 2.57Å; R198-T200 PolarHBondContact O-N 2.85Å; T200-T276 PolarHBondContact O-OG1 2.75Å; T200-T276 PolarHBondContact OG1-OG1 2.98Å; T200-K277 PolarHBondContact O-N 2.91Å; T200-N305 WeakPolarHBondContact CA-OD1 3.16Å; T200-A458 WeakPolarHBondContact CG2-O 3.49Å; T200-A458 WeakPolarHBondContact OG1-CB 3.36Å; T200-L461 HydrophobicContact CG2-CB 3.71Å
201	N	98.7	Very high	96.8	Very high	31 Å²	31	23.4 Å²	23.4	17%	0.166	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112.1	-178.7	-63.8	-23.1	0	0	0	109.2	I224 K277 L303 N305 I306	N201-I224 HydrophobicContact CB-CD1 3.85Å; N201-K277 WeakPolarHBondContact OD1-CB 3.43Å; N201-L303 PolarHBondContact ND2-O 3.42Å; N201-N305 PolarHBondContact N-OD1 2.9Å; N201-N305 WeakPolarHBondContact O-CB 3.37Å; N201-N305 PolarHBondContact O-N 3.18Å; N201-I306 PolarHBondContact O-N 2.59Å; N201-I306 VanDerWaalsContact O-N 3.17Å
202	V	98.8	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129	174.5	177.7	0	0	0	0	108.1	A259 T276 K277 L278 G279 I306 A454 A458	V202-A259 HydrophobicContact CG1-CB 4.14Å; V202-T276 HydrophobicContact CB-CG2 4.31Å; V202-T276 HydrophobicContact CG2-CG2 4.08Å; V202-K277 PolarHBondContact N-O 3.38Å; V202-L278 HydrophobicContact CB-CD2 4.3Å; V202-L278 VanDerWaalsContact O-CA 3.32Å; V202-L278 WeakPolarHBondContact O-CA 3.32Å; V202-G279 PolarHBondContact O-N 2.79Å; V202-I306 WeakPolarHBondContact CA-O 3.38Å; V202-I306 HydrophobicContact CG2-CB 4.22Å; V202-I306 HydrophobicContact CG2-CD1 4Å; V202-A454 HydrophobicContact CG1-CB 4.1Å; V202-A458 HydrophobicContact CG2-CB 3.94Å
203	V	98.6	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.5	176.6	172.9	0	0	0	0	110.7	I224 G279 I281 I304 I306 C308	V203-I224 HydrophobicContact CG2-CB 4.15Å; V203-I224 HydrophobicContact CG2-CD1 3.91Å; V203-I224 HydrophobicContact CG2-CG1 4.23Å; V203-G279 WeakPolarHBondContact CA-O 3.47Å; V203-I281 HydrophobicContact CG1-CB 4.29Å; V203-I281 HydrophobicContact CG1-CD1 3.52Å; V203-I281 HydrophobicContact CG1-CG1 3.51Å; V203-I304 HydrophobicContact CB-CD1 4.11Å; V203-I304 HydrophobicContact CB-CG2 4.07Å; V203-I304 HydrophobicContact CG1-CD1 4.4Å; V203-I304 HydrophobicContact CG2-CB 4.39Å; V203-I304 HydrophobicContact CG2-CD1 3.49Å; V203-I304 VanDerWaalsContact CG2-CD1 3.49Å; V203-I304 HydrophobicContact CG2-CG1 3.69Å; V203-I304 HydrophobicContact CG2-CG2 3.83Å; V203-I306 PolarHBondContact N-O 3.22Å; V203-C308 PolarHBondContact O-N 2.99Å
204	V	98.5	Very high	96.6	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110.5	171.5	178.7	0	0	0	0	108.2	D206 C255 A256 G279 I281	V204-D206 HydrophobicContact CG1-CB 3.72Å; V204-C255 HydrophobicContact CG1-CB 3.97Å; V204-C255 HydrophobicContact CG2-CB 4.37Å; V204-A256 HydrophobicContact CG2-CB 3.92Å; V204-G279 PolarHBondContact N-O 3.09Å; V204-I281 PolarHBondContact O-N 2.96Å
205	L	97.9	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	97.4	174.9	177.2	66.1	0	0	0	107.8	I281 I283 L297 C308 W311	L205-I281 WeakPolarHBondContact CA-O 3.29Å; L205-I281 HydrophobicContact CB-CB 4.49Å; L205-I281 HydrophobicContact CD1-CB 3.47Å; L205-I281 VanDerWaalsContact CD1-CB 3.47Å; L205-I281 HydrophobicContact CD1-CD1 4.33Å; L205-I281 HydrophobicContact CD1-CG2 3.26Å; L205-I283 HydrophobicContact CD1-CD1 3.83Å; L205-I283 HydrophobicContact CD1-CG1 3.96Å; L205-I283 HydrophobicContact CD1-CG2 3.87Å; L205-I283 HydrophobicContact CD2-CD1 4.35Å; L205-I283 HydrophobicContact CG-CD1 3.93Å; L205-I283 HydrophobicContact CG-CG1 4.35Å; L205-L297 HydrophobicContact CD2-CD2 3.68Å; L205-L297 HydrophobicContact CD2-CG 3.77Å; L205-C308 PolarHBondContact N-O 2.91Å; L205-W311 HydrophobicContact CD2-CZ2 3.75Å; L205-W311 HydrophobicContact CG-CZ2 4.15Å; L205-W311 PolarHBondContact O-NE1 3.06Å
206	D	95.9	Very high	96.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-149	-168	-151.2	-69.1	0	0	0	111.8	K108 V204 H251 I281 R282 I283 L284	K108-D206 WeakPolarHBondContact CD-OD1 3.49Å; V204-D206 HydrophobicContact CG1-CB 3.72Å; D206-H251 VanDerWaalsContact CG-ND1 3.31Å; D206-H251 IonicContact OD1-CG 2.97Å; D206-H251 IonicContact OD1-ND1 3.74Å; D206-H251 PolarHBondContact OD1-ND1 3.09Å; D206-H251 IonicContact OD2-CE1 3.98Å; D206-H251 PolarHBondContact OD2-CE1 2.95Å; D206-H251 IonicContact OD2-ND1 3.57Å; D206-H251 PolarHBondContact OD2-ND1 3.26Å; D206-I281 PolarHBondContact N-O 3.07Å; D206-R282 WeakPolarHBondContact O-CA 3.43Å; D206-I283 PolarHBondContact O-N 2.87Å; D206-L284 HydrophobicContact CB-CD1 4.41Å; D206-L284 PolarHBondContact O-N 3.31Å
207	D	92.7	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-77.1	-23.3	178.2	64.1	5.3	0	0	0	114.1	K108 D249 G250 H251 G252 R282 L284 T285	K108-D207 HydrophobicContact CD-CB 4.11Å; K108-D207 IonicContact NZ-OD2 3.93Å; K108-D207 PolarHBondContact NZ-OD2 2.85Å; D207-D249 VanDerWaalsContact OD2-C 3.28Å; D207-D249 VanDerWaalsContact OD2-CA 3.3Å; D207-D249 WeakPolarHBondContact OD2-CA 3.46Å; D207-G250 PolarHBondContact OD2-N 3.5Å; D207-H251 PolarHBondContact OD1-N 3.32Å; D207-H251 WeakPolarHBondContact OD2-CB 3.48Å; D207-H251 PolarHBondContact OD2-N 3.06Å; D207-G252 PolarHBondContact OD1-N 3.34Å; D207-R282 WeakPolarHBondContact O-CD 3.44Å; D207-R282 WeakPolarHBondContact O-CG 3.23Å; D207-R282 PolarHBondContact O-NE 2.76Å; D207-R282 PolarHBondContact O-NH1 3.32Å; D207-L284 HydrophobicContact CB-CB 4.15Å; D207-T285 HydrophobicContact CB-CG2 3.84Å
208	G	91.4	Very high	96.4	Very high	4 Å²	4	24 Å²	24	4%	0.041	16%	0.155	C	C	.	.			trans	161.3	-176.6	177.6	0	0	0	0	0	113.3	P238 G252 T253	G208-P238 VanDerWaalsContact CA-O 3.23Å; G208-P238 WeakPolarHBondContact CA-O 3.49Å; G208-G252 CarbonylContact O-C 3.6Å; G208-G252 VanDerWaalsContact O-CA 3.28Å; G208-G252 WeakPolarHBondContact O-CA 3.45Å; G208-T253 PolarHBondContact O-N 2.94Å
209	L	95.3	Very high	96.4	Very high	4 Å²	4	21 Å²	21	2%	0.021	14%	0.144	C	C	.	.			trans	-142.7	125.1	177.5	-178.4	60.4	0	0	0	110.1	T211 L216 Y220 P238 R239 A256	L209-T211 VanDerWaalsContact C-N 3.29Å; L209-T211 HydrophobicContact CG-CG2 4.48Å; L209-T211 WeakPolarHBondContact O-CG2 3.41Å; L209-T211 PolarHBondContact O-N 3.28Å; L209-L216 HydrophobicContact CD1-CD1 3.85Å; L209-Y220 HydrophobicContact CD2-CD2 3.83Å; L209-Y220 HydrophobicContact CD2-CE2 4.17Å; L209-P238 HydrophobicContact CB-CB 4.26Å; L209-P238 HydrophobicContact CB-CG 4.14Å; L209-P238 PolarHBondContact N-O 2.92Å; L209-R239 WeakPolarHBondContact O-CA 3.33Å; L209-R239 WeakPolarHBondContact O-CB 3.36Å; L209-R239 PolarHBondContact O-N 3.22Å; L209-A256 HydrophobicContact CD1-CB 3.37Å
210	D	95.7	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.			trans	-69.8	87.7	169.3	-168.7	-31	0	0	0	109.8	S212 H213 R239 I245 T253 N436	D210-S212 PolarHBondContact O-N 3.4Å; D210-S212 PolarHBondContact OD1-N 2.95Å; D210-S212 PolarHBondContact OD1-OG 3Å; D210-H213 HydrophobicContact CB-CB 4Å; D210-H213 WeakPolarHBondContact O-CB 3.44Å; D210-H213 PolarHBondContact O-N 3.46Å; D210-H213 PolarHBondContact OD1-N 3.07Å; D210-R239 IonicContact OD1-CZ 3.09Å; D210-R239 IonicContact OD1-NH1 3.62Å; D210-R239 PolarHBondContact OD1-NH1 3.48Å; D210-R239 IonicContact OD2-CZ 2.77Å; D210-R239 IonicContact OD2-NH1 3.73Å; D210-R239 PolarHBondContact OD2-NH1 2.8Å; D210-I245 HydrophobicContact CB-CD1 3.87Å; D210-T253 HydrophobicContact CB-CG2 3.57Å; D210-T253 PolarHBondContact N-OG1 3.26Å; D210-N436 PolarHBondContact OD2-N 3.04Å
211	T	94.7	Very high	96.4	Very high	25 Å²	25	21 Å²	21	15%	0.153	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.3	-175.1	63.1	0	0	0	0	113.9	L209 Y220 P238 R239	L209-T211 VanDerWaalsContact C-N 3.29Å; L209-T211 HydrophobicContact CG-CG2 4.48Å; L209-T211 WeakPolarHBondContact O-CG2 3.41Å; L209-T211 PolarHBondContact O-N 3.28Å; T211-Y220 HydrophobicContact CG2-CD1 4.43Å; T211-Y220 HydrophobicContact CG2-CD2 3.86Å; T211-Y220 HydrophobicContact CG2-CE1 4.01Å; T211-Y220 HydrophobicContact CG2-CE2 3.34Å; T211-Y220 HydrophobicContact CG2-CG 4.37Å; T211-Y220 VanDerWaalsContact CG2-CZ 3.44Å; T211-P238 HydrophobicContact CG2-CG 3.85Å; T211-R239 HydrophobicContact CG2-CB 4.26Å
212	S	94.1	Very high	96.3	Very high	54 Å²	54	26.3 Å²	26.3	38%	0.378	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-3.8	-179.6	49.3	0	0	0	0	113.1	D210 R239	D210-S212 PolarHBondContact O-N 3.4Å; D210-S212 PolarHBondContact OD1-N 2.95Å; D210-S212 PolarHBondContact OD1-OG 3Å; S212-R239 PolarHBondContact OG-NH1 3.46Å
213	H	95.7	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.			trans	-58.1	128.7	-177	-167.6	-82.6	0	0	0	110.2	D210 D215 L216 Q217 F267 T433 M434 K438	D210-H213 HydrophobicContact CB-CB 4Å; D210-H213 WeakPolarHBondContact O-CB 3.44Å; D210-H213 PolarHBondContact O-N 3.46Å; D210-H213 PolarHBondContact OD1-N 3.07Å; H213-D215 VanDerWaalsContact CE1-CB 3.45Å; H213-D215 WeakPolarHBondContact CE1-CB 3.16Å; H213-D215 WeakPolarHBondContact ND1-CB 3.49Å; H213-D215 PolarHBondContact ND1-N 2.8Å; H213-D215 PolarHBondContact O-N 3.3Å; H213-L216 HydrophobicContact CB-CB 4.13Å; H213-L216 HydrophobicContact CB-CD1 4.03Å; H213-L216 HydrophobicContact CB-CG 4.04Å; H213-L216 PolarHBondContact O-N 2.74Å; H213-Q217 WeakPolarHBondContact O-CB 3.46Å; H213-Q217 PolarHBondContact O-N 3.43Å; H213-F267 AromaticContact CE1-CE1 3.56Å; H213-T433 VanDerWaalsContact CE1-CG2 3.42Å; H213-T433 WeakPolarHBondContact CE1-CG2 3.49Å; H213-M434 PolarHBondContact CD2-O 3.47Å; H213-M434 VanDerWaalsContact CD2-O 3.23Å; H213-M434 PolarHBondContact NE2-O 3.12Å; H213-K438 PolarHBondContact NE2-O 3.47Å; H213-K438 VanDerWaalsContact NE2-O 3.09Å
214	P	95.3	Very high	96.2	Very high	45 Å²	45	30 Å²	30	29%	0.292	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.9	-176.7	-30	33.9	0	0	0	113.9	F267 D437	P214-F267 HydrophobicContact CB-CD1 4.26Å; P214-F267 HydrophobicContact CB-CE1 4.25Å; P214-F267 HydrophobicContact CB-CG 4.43Å; P214-F267 HydrophobicContact CB-CZ 4.46Å; P214-F267 HydrophobicContact CG-CE1 4.43Å; P214-F267 HydrophobicContact CG-CZ 4.28Å; P214-D437 WeakPolarHBondContact CD-OD1 3.43Å; P214-D437 HydrophobicContact CG-CB 4.22Å
215	D	95.3	Very high	96.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12	-179.5	-146.7	11.6	0	0	0	115	H213 A261 V262 N265 F267 C268 T433	H213-D215 VanDerWaalsContact CE1-CB 3.45Å; H213-D215 WeakPolarHBondContact CE1-CB 3.16Å; H213-D215 WeakPolarHBondContact ND1-CB 3.49Å; H213-D215 PolarHBondContact ND1-N 2.8Å; H213-D215 PolarHBondContact O-N 3.3Å; D215-A261 HydrophobicContact CB-CB 4.5Å; D215-A261 CarbonylContact O-C 3.56Å; D215-A261 WeakPolarHBondContact O-CA 3.18Å; D215-A261 WeakPolarHBondContact OD2-CB 3.49Å; D215-V262 WeakPolarHBondContact O-CG2 3.47Å; D215-V262 PolarHBondContact O-N 3.47Å; D215-N265 PolarHBondContact OD1-ND2 2.81Å; D215-F267 HydrophobicContact CB-CD1 3.85Å; D215-F267 HydrophobicContact CB-CE1 4.33Å; D215-C268 WeakPolarHBondContact OD2-CB 3.39Å; D215-T433 HydrophobicContact CB-CG2 3.58Å; D215-T433 VanDerWaalsContact OD2-CG2 3.22Å; D215-T433 WeakPolarHBondContact OD2-CG2 3.47Å
216	L	97.5	Very high	96.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-31.4	-175.2	-55.7	179.9	0	0	0	112.5	L209 H213 A218 N219 Y220 T253 A256 A261 L278 T433	L209-L216 HydrophobicContact CD1-CD1 3.85Å; H213-L216 HydrophobicContact CB-CB 4.13Å; H213-L216 HydrophobicContact CB-CD1 4.03Å; H213-L216 HydrophobicContact CB-CG 4.04Å; H213-L216 PolarHBondContact O-N 2.74Å; L216-A218 PolarHBondContact O-N 2.89Å; L216-N219 CarbonylContact O-C 3.59Å; L216-N219 WeakPolarHBondContact O-CA 3.45Å; L216-N219 PolarHBondContact O-N 3.38Å; L216-Y220 PolarHBondContact O-N 3.33Å; L216-T253 HydrophobicContact CD1-CG2 3.86Å; L216-A256 HydrophobicContact CD1-CB 4.35Å; L216-A261 HydrophobicContact CD2-CB 4.23Å; L216-L278 HydrophobicContact CD2-CD1 3.94Å; L216-T433 HydrophobicContact CD2-CG2 3.93Å; L216-T433 HydrophobicContact CG-CG2 4.11Å
217	Q	96.6	Very high	96	Very high	116 Å²	116	30.7 Å²	30.7	54%	0.542	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.8	-168.1	64	174.8	6.1	0	0	114.4	H213 N219	H213-Q217 WeakPolarHBondContact O-CB 3.46Å; H213-Q217 PolarHBondContact O-N 3.43Å; Q217-N219 VanDerWaalsContact C-N 3.31Å; Q217-N219 PolarHBondContact O-N 2.9Å
218	A	97.3	Very high	96	Very high	60 Å²	60	31.3 Å²	31.3	50%	0.496	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-24.2	-179.5	0	0	0	0	0	112.7	L216 V262 K277	L216-A218 PolarHBondContact O-N 2.89Å; A218-V262 HydrophobicContact CB-CG2 3.88Å; A218-K277 PolarHBondContact O-NZ 2.77Å; A218-K277 VanDerWaalsContact O-NZ 3.15Å
219	N	98.2	Very high	95.8	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-17.5	177.2	-73.7	-14.3	0	0	0	112.6	L216 Q217 D221 G260 V262 P274 T276 K277 L278	L216-N219 CarbonylContact O-C 3.59Å; L216-N219 WeakPolarHBondContact O-CA 3.45Å; L216-N219 PolarHBondContact O-N 3.38Å; Q217-N219 VanDerWaalsContact C-N 3.31Å; Q217-N219 PolarHBondContact O-N 2.9Å; N219-D221 PolarHBondContact O-N 2.77Å; N219-G260 PolarHBondContact ND2-O 2.79Å; N219-V262 HydrophobicContact CB-CG2 4.47Å; N219-P274 PolarHBondContact ND2-O 2.04Å; N219-T276 WeakPolarHBondContact CB-O 3.15Å; N219-K277 CarbonylContact O-C 3.46Å; N219-K277 VanDerWaalsContact O-CA 3.28Å; N219-K277 WeakPolarHBondContact O-CA 3.36Å; N219-K277 WeakPolarHBondContact O-CD 3.5Å; N219-L278 HydrophobicContact CB-CD1 4.3Å; N219-L278 HydrophobicContact CB-CG 4.41Å; N219-L278 PolarHBondContact O-N 2.84Å
220	Y	98.4	Very high	95.1	Very high	49 Å²	49	35.3 Å²	35.3	19%	0.192	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-57.1	134	175.2	174.4	-112.4	0	0	0	111.6	L209 T211 L216 E222 S225 P238 L278	L209-Y220 HydrophobicContact CD2-CD2 3.83Å; L209-Y220 HydrophobicContact CD2-CE2 4.17Å; T211-Y220 HydrophobicContact CG2-CD1 4.43Å; T211-Y220 HydrophobicContact CG2-CD2 3.86Å; T211-Y220 HydrophobicContact CG2-CE1 4.01Å; T211-Y220 HydrophobicContact CG2-CE2 3.34Å; T211-Y220 HydrophobicContact CG2-CG 4.37Å; T211-Y220 VanDerWaalsContact CG2-CZ 3.44Å; L216-Y220 PolarHBondContact O-N 3.33Å; Y220-E222 HydrophobicContact CE1-CB 3.93Å; Y220-S225 WeakPolarHBondContact CE2-OG 3.46Å; Y220-P238 HydrophobicContact CE2-CG 4.33Å; Y220-L278 WeakPolarHBondContact CA-O 3.39Å
221	D	98	Very high	94.5	Very high	33 Å²	33	36.4 Å²	36.4	18%	0.176	20%	0.198	C	C	.	.			trans	-128.4	114.1	174.8	-175	-15.6	0	0	0	109.7	N219 T223 I224 S225 K277 L278	N219-D221 PolarHBondContact O-N 2.77Å; D221-T223 VanDerWaalsContact C-N 3.27Å; D221-T223 PolarHBondContact O-N 2.72Å; D221-T223 WeakPolarHBondContact OD1-CB 3.35Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.24Å; D221-T223 PolarHBondContact OD1-N 2.75Å; D221-T223 PolarHBondContact OD1-OG1 3.16Å; D221-T223 PolarHBondContact OD2-OG1 3.01Å; D221-I224 HydrophobicContact CB-CD1 4.03Å; D221-I224 HydrophobicContact CB-CG1 3.8Å; D221-I224 WeakPolarHBondContact O-CG1 3.41Å; D221-S225 WeakPolarHBondContact O-CB 3.33Å; D221-S225 PolarHBondContact O-OG 3.01Å; D221-K277 HydrophobicContact CB-CB 4.01Å; D221-K277 HydrophobicContact CB-CD 4.44Å; D221-K277 HydrophobicContact CB-CG 4.41Å; D221-L278 PolarHBondContact N-O 2.85Å
222	E	97	Very high	93.8	Very high	144 Å²	144	41.5 Å²	41.5	67%	0.673	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-69.1	-24.2	-179.8	65.6	178.6	177.1	0	0	113.2	Y220 I224 S225	Y220-E222 HydrophobicContact CE1-CB 3.93Å; E222-I224 VanDerWaalsContact C-N 3.25Å; E222-I224 PolarHBondContact O-N 3.01Å; E222-S225 PolarHBondContact O-N 2.79Å
223	T	96.6	Very high	93.2	Very high	77 Å²	77	45 Å²	45	47%	0.472	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-71.6	-23.2	-175.4	70.9	0	0	0	0	112.9	D221	D221-T223 VanDerWaalsContact C-N 3.27Å; D221-T223 PolarHBondContact O-N 2.72Å; D221-T223 WeakPolarHBondContact OD1-CB 3.35Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.24Å; D221-T223 PolarHBondContact OD1-N 2.75Å; D221-T223 PolarHBondContact OD1-OG1 3.16Å; D221-T223 PolarHBondContact OD2-OG1 3.01Å
224	I	97.4	Very high	92.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-108.7	15	175.6	60.1	170.7	0	0	0	112.3	N201 V203 D221 E222 K277 L303 I304	N201-I224 HydrophobicContact CB-CD1 3.85Å; V203-I224 HydrophobicContact CG2-CB 4.15Å; V203-I224 HydrophobicContact CG2-CD1 3.91Å; V203-I224 HydrophobicContact CG2-CG1 4.23Å; D221-I224 HydrophobicContact CB-CD1 4.03Å; D221-I224 HydrophobicContact CB-CG1 3.8Å; D221-I224 WeakPolarHBondContact O-CG1 3.41Å; E222-I224 VanDerWaalsContact C-N 3.25Å; E222-I224 PolarHBondContact O-N 3.01Å; I224-K277 HydrophobicContact CD1-CB 4.4Å; I224-L303 HydrophobicContact CG2-CB 4.07Å; I224-L303 HydrophobicContact CG2-CD1 4.46Å; I224-I304 HydrophobicContact CB-CD1 4.34Å; I224-I304 HydrophobicContact CB-CG1 3.96Å; I224-I304 HydrophobicContact CG2-CG1 3.93Å
225	S	98.1	Very high	92.3	Very high	8 Å²	8	46.2 Å²	46.2	6%	0.056	24%	0.243	C	C	.	.			trans	-117.3	146.9	-179	-65.9	0	0	0	0	111.8	Y220 D221 E222 G279 G280 Y299	Y220-S225 WeakPolarHBondContact CE2-OG 3.46Å; D221-S225 WeakPolarHBondContact O-CB 3.33Å; D221-S225 PolarHBondContact O-OG 3.01Å; E222-S225 PolarHBondContact O-N 2.79Å; S225-G279 WeakPolarHBondContact OG-CA 3.48Å; S225-G280 CarbonylContact C-O 3.57Å; S225-G280 VanDerWaalsContact CA-O 3.28Å; S225-G280 WeakPolarHBondContact CA-O 3.48Å; S225-G280 PolarHBondContact OG-N 3.34Å; S225-Y299 PolarHBondContact O-OH 3.29Å
226	V	96.1	Very high	92.2	Very high	10 Å²	10	52.3 Å²	52.3	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	143.9	174.8	63.1	0	0	0	0	112.1	M228 L236 G280 I281 R282 Y299	V226-M228 HydrophobicContact CG1-CE 3.46Å; V226-M228 VanDerWaalsContact CG1-CE 3.46Å; V226-M228 HydrophobicContact CG1-CG 4.05Å; V226-M228 HydrophobicContact CG2-CG 4.44Å; V226-L236 CarbonylContact C-O 3.55Å; V226-G280 PolarHBondContact N-O 3.43Å; V226-I281 HydrophobicContact CG1-CG1 4.13Å; V226-I281 HydrophobicContact CG1-CG2 4.01Å; V226-I281 WeakPolarHBondContact O-CA 3.34Å; V226-R282 PolarHBondContact O-N 3.02Å; V226-Y299 HydrophobicContact CB-CE1 4.07Å; V226-Y299 HydrophobicContact CB-CE2 4.07Å; V226-Y299 HydrophobicContact CG1-CD1 3.87Å; V226-Y299 HydrophobicContact CG1-CD2 3.92Å; V226-Y299 HydrophobicContact CG1-CE1 3.67Å; V226-Y299 HydrophobicContact CG1-CE2 3.75Å; V226-Y299 HydrophobicContact CG1-CG 3.99Å
227	N	95.1	Very high	92.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120	162.8	177.8	29.2	0	0	0	111	D229 P231 N234 G235 L236 S237 R282	N227-D229 PolarHBondContact ND2-O 2.64Å; N227-D229 PolarHBondContact OD1-N 3.3Å; N227-D229 PolarHBondContact OD1-O 3.33Å; N227-P231 WeakPolarHBondContact O-CB 3.11Å; N227-N234 VanDerWaalsContact ND2-CB 3.34Å; N227-N234 WeakPolarHBondContact ND2-CB 3.41Å; N227-G235 WeakPolarHBondContact CB-O 3.24Å; N227-G235 PolarHBondContact ND2-O 3.02Å; N227-L236 PolarHBondContact N-O 3.26Å; N227-S237 WeakPolarHBondContact CB-O 3.48Å; N227-R282 HydrophobicContact CB-CB 4.43Å; N227-R282 VanDerWaalsContact OD1-CD 3.25Å; N227-R282 WeakPolarHBondContact OD1-CD 3.42Å; N227-R282 VanDerWaalsContact OD1-CG 3.25Å; N227-R282 WeakPolarHBondContact OD1-CG 3.1Å
228	M	92	Very high	92	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.069	26%	0.264	C	S	.	.			trans	-102.6	-9.8	173.7	-55.4	-171.2	-179.2	0	0	112.4	V226 R230 I281 R282 I283 R295 Y299	V226-M228 HydrophobicContact CG1-CE 3.46Å; V226-M228 VanDerWaalsContact CG1-CE 3.46Å; V226-M228 HydrophobicContact CG1-CG 4.05Å; V226-M228 HydrophobicContact CG2-CG 4.44Å; M228-R230 PolarHBondContact O-N 3.32Å; M228-I281 HydrophobicContact CE-CG2 3.78Å; M228-I281 HydrophobicContact CG-CG2 4.28Å; M228-I281 HydrophobicContact SD-CG2 4.07Å; M228-R282 PolarHBondContact N-O 2.9Å; M228-I283 HydrophobicContact CB-CG2 4.12Å; M228-I283 HydrophobicContact CG-CG2 4.45Å; M228-I283 HydrophobicContact SD-CG2 4.19Å; M228-R295 HydrophobicContact CE-CB 4.35Å; M228-R295 HydrophobicContact CE-CG 3.76Å; M228-R295 HydrophobicContact SD-CB 3.95Å; M228-R295 HydrophobicContact SD-CG 3.78Å; M228-Y299 HydrophobicContact CE-CD2 4Å; M228-Y299 HydrophobicContact CE-CG 4.07Å
229	D	86.5	Confident	91.9	Very high	10 Å²	10	48 Å²	48	5%	0.053	25%	0.248	C	C	.	.	S	Bend	trans	-81.5	97.1	172.2	178	17.7	0	0	0	110.8	N227 N234 R282 T285 G286	N227-D229 PolarHBondContact ND2-O 2.64Å; N227-D229 PolarHBondContact OD1-N 3.3Å; N227-D229 PolarHBondContact OD1-O 3.33Å; D229-N234 PolarHBondContact O-ND2 3.05Å; D229-R282 HydrophobicContact CB-CG 4.25Å; D229-R282 PolarHBondContact N-O 3.21Å; D229-T285 WeakPolarHBondContact OD2-CB 3.29Å; D229-T285 PolarHBondContact OD2-OG1 3.22Å; D229-G286 WeakPolarHBondContact OD1-CA 3.46Å; D229-G286 PolarHBondContact OD2-N 3.07Å; D229-G286 VanDerWaalsContact OD2-N 3.15Å
230	R	81	Confident	91.4	Very high	81 Å²	81	48 Å²	48	31%	0.306	25%	0.25	S	S	.	.	S	Bend	trans	48.8	56.8	175.5	-67.9	168.8	-82.9	-173.6	-5.7	112.1	M228 E232 Q233 N234 T285	M228-R230 PolarHBondContact O-N 3.32Å; R230-E232 WeakPolarHBondContact CA-OE1 3.49Å; R230-E232 PolarHBondContact O-N 3.38Å; R230-E232 VanDerWaalsContact O-N 3.17Å; R230-Q233 HydrophobicContact CB-CB 4.34Å; R230-Q233 PolarHBondContact O-N 2.97Å; R230-N234 WeakPolarHBondContact O-CB 3.37Å; R230-N234 PolarHBondContact O-N 2.88Å; R230-T285 PolarHBondContact NH2-O 2.94Å
231	P	83.2	Confident	90.8	Very high	23 Å²	23	49.3 Å²	49.3	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-33.4	-172.9	19.1	-28.7	0	0	0	113.5	N227 Q233 N234 G235 L236	N227-P231 WeakPolarHBondContact O-CB 3.11Å; P231-Q233 PolarHBondContact O-N 3.38Å; P231-N234 PolarHBondContact O-N 2.97Å; P231-G235 CarbonylContact O-C 3.58Å; P231-G235 VanDerWaalsContact O-CA 3.27Å; P231-G235 WeakPolarHBondContact O-CA 3.27Å; P231-G235 PolarHBondContact O-N 3.35Å; P231-L236 HydrophobicContact CB-CD2 3.83Å
232	E	80.5	Confident	90.2	Very high	132 Å²	132	52.7 Å²	52.7	62%	0.617	28%	0.275	S	S	*	.	H	α-helix	trans	-59.7	-27	174.1	52.7	-75	164	0	0	113.9	R230	R230-E232 WeakPolarHBondContact CA-OE1 3.49Å; R230-E232 PolarHBondContact O-N 3.38Å; R230-E232 VanDerWaalsContact O-N 3.17Å
233	Q	80.7	Confident	89.7	Confident	128 Å²	128	54.9 Å²	54.9	60%	0.598	28%	0.283	S	S	*	.	H	α-helix	trans	-98.6	-34.5	177.2	-65.3	172.7	25.5	0	0	112.2	R230 P231	R230-Q233 HydrophobicContact CB-CB 4.34Å; R230-Q233 PolarHBondContact O-N 2.97Å; P231-Q233 PolarHBondContact O-N 3.38Å
234	N	84.4	Confident	89.4	Confident	34 Å²	34	57.3 Å²	57.3	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-106.8	-5.4	-165.5	-71.4	-21.2	0	0	0	113.6	N227 D229 R230 P231 P241	N227-N234 VanDerWaalsContact ND2-CB 3.34Å; N227-N234 WeakPolarHBondContact ND2-CB 3.41Å; D229-N234 PolarHBondContact O-ND2 3.05Å; R230-N234 WeakPolarHBondContact O-CB 3.37Å; R230-N234 PolarHBondContact O-N 2.88Å; P231-N234 PolarHBondContact O-N 2.97Å; N234-P241 HydrophobicContact CB-CG 4.12Å; N234-P241 WeakPolarHBondContact O-CD 3.39Å; N234-P241 WeakPolarHBondContact OD1-CG 3.42Å
235	G	89.4	Confident	89	Confident	37 Å²	37	57.5 Å²	57.5	38%	0.381	29%	0.293	S	S	.	.			trans	79.6	168.1	-171.5	0	0	0	0	0	112.5	N227 P231	N227-G235 WeakPolarHBondContact CB-O 3.24Å; N227-G235 PolarHBondContact ND2-O 3.02Å; P231-G235 CarbonylContact O-C 3.58Å; P231-G235 VanDerWaalsContact O-CA 3.27Å; P231-G235 WeakPolarHBondContact O-CA 3.27Å; P231-G235 PolarHBondContact O-N 3.35Å
236	L	92.3	Very high	88.4	Confident	128 Å²	128	59.1 Å²	59.1	67%	0.67	30%	0.303	S	S	*	.	S	Bend	trans	-83.6	-14.7	-178.8	-68.5	173.4	0	0	0	114	V226 N227 P231	V226-L236 CarbonylContact C-O 3.55Å; N227-L236 PolarHBondContact N-O 3.26Å; P231-L236 HydrophobicContact CB-CD2 3.83Å
237	S	94.7	Very high	87.6	Confident	45 Å²	45	63.4 Å²	63.4	32%	0.315	32%	0.322	S	S	.	.	S	Bend	trans	-71.8	134.7	178.7	171	0	0	0	0	111	N227 R239 G240	N227-S237 WeakPolarHBondContact CB-O 3.48Å; S237-R239 PolarHBondContact O-N 3.45Å; S237-R239 VanDerWaalsContact O-N 3.09Å; S237-R239 WeakPolarHBondContact OG-CB 3.48Å; S237-R239 PolarHBondContact OG-N 3.03Å; S237-G240 PolarHBondContact O-N 3.01Å
238	P	95.6	Very high	87	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.006	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.4	176.3	30.6	-38.6	0	0	0	113.8	G208 L209 T211 Y220 G240 G280 R282	G208-P238 VanDerWaalsContact CA-O 3.23Å; G208-P238 WeakPolarHBondContact CA-O 3.49Å; L209-P238 HydrophobicContact CB-CB 4.26Å; L209-P238 HydrophobicContact CB-CG 4.14Å; L209-P238 PolarHBondContact N-O 2.92Å; T211-P238 HydrophobicContact CG2-CG 3.85Å; Y220-P238 HydrophobicContact CE2-CG 4.33Å; P238-G240 PolarHBondContact O-N 3.35Å; P238-G280 VanDerWaalsContact CB-O 3.3Å; P238-G280 WeakPolarHBondContact CB-O 3.42Å; P238-R282 HydrophobicContact CB-CB 4.27Å; P238-R282 WeakPolarHBondContact O-CD 3.26Å
239	R	93.8	Very high	86.8	Confident	41 Å²	41	68.3 Å²	68.3	16%	0.155	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.4	170.1	-170.9	-179	168.7	75.7	7.6	112.2	L209 D210 T211 S212 S237 K243 I245	L209-R239 WeakPolarHBondContact O-CA 3.33Å; L209-R239 WeakPolarHBondContact O-CB 3.36Å; L209-R239 PolarHBondContact O-N 3.22Å; D210-R239 IonicContact OD1-CZ 3.09Å; D210-R239 IonicContact OD1-NH1 3.62Å; D210-R239 PolarHBondContact OD1-NH1 3.48Å; D210-R239 IonicContact OD2-CZ 2.77Å; D210-R239 IonicContact OD2-NH1 3.73Å; D210-R239 PolarHBondContact OD2-NH1 2.8Å; T211-R239 HydrophobicContact CG2-CB 4.26Å; S212-R239 PolarHBondContact OG-NH1 3.46Å; S237-R239 PolarHBondContact O-N 3.45Å; S237-R239 VanDerWaalsContact O-N 3.09Å; S237-R239 WeakPolarHBondContact OG-CB 3.48Å; S237-R239 PolarHBondContact OG-N 3.03Å; R239-K243 PolarHBondContact NH2-O 3.26Å; R239-K243 VanDerWaalsContact NH2-O 3.09Å; R239-I245 HydrophobicContact CG-CD1 4.05Å
240	G	88.6	Confident	86.9	Confident	12 Å²	12	67.9 Å²	67.9	12%	0.124	35%	0.346	C	S	.	.			trans	71.4	-174.7	-170	0	0	0	0	0	113.1	S237 P238	S237-G240 PolarHBondContact O-N 3.01Å; P238-G240 PolarHBondContact O-N 3.35Å
241	P	86.2	Confident	87.4	Confident	78 Å²	78	64 Å²	64	51%	0.506	33%	0.332	S	S	.	.	S	Bend	trans	-88.1	-7.9	-168	35.4	-37.8	0	0	0	113.3	N234	N234-P241 HydrophobicContact CB-CG 4.12Å; N234-P241 WeakPolarHBondContact O-CD 3.39Å; N234-P241 WeakPolarHBondContact OD1-CG 3.42Å
242	R	85	Confident	88	Confident	103 Å²	103	62.9 Å²	62.9	39%	0.389	33%	0.325	S	S	.	.			trans	-78.3	126.2	-170.6	-68.4	-171.7	-88.6	-148.9	-7.2	110.1	D249	R242-D249 IonicContact CZ-OD2 3.52Å; R242-D249 IonicContact NE-OD2 3.12Å; R242-D249 PolarHBondContact NE-OD2 3.32Å; R242-D249 VanDerWaalsContact NH2-CG 3.3Å; R242-D249 IonicContact NH2-OD1 3.97Å; R242-D249 IonicContact NH2-OD2 3.47Å; R242-D249 PolarHBondContact NH2-OD2 3.35Å
243	K	86.2	Confident	88.7	Confident	190 Å²	190	56.6 Å²	56.6	83%	0.826	30%	0.295	S	S	*	.	S	Bend	trans	-59.8	-47.5	175	-175	179.1	-179.8	-179	0	111.3	R239	R239-K243 PolarHBondContact NH2-O 3.26Å; R239-K243 VanDerWaalsContact NH2-O 3.09Å
244	I	90.5	Very high	89.2	Confident	128 Å²	128	50.5 Å²	50.5	66%	0.656	27%	0.267	S	S	*	.	S	Bend	trans	-106.9	117.4	172.9	-58	174.6	0	0	0	107.1	P246 N436	I244-P246 WeakPolarHBondContact O-CD 3.48Å; I244-N436 WeakPolarHBondContact CA-OD1 3.3Å
245	I	89.3	Confident	89.7	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	26%	0.258	C	S	.	.			trans	-73.4	123.3	175.6	-59.9	173.4	0	0	0	107.8	D210 R239 D249 E435 N436	D210-I245 HydrophobicContact CB-CD1 3.87Å; R239-I245 HydrophobicContact CG-CD1 4.05Å; I245-D249 HydrophobicContact CG2-CB 3.97Å; I245-D249 WeakPolarHBondContact CG2-O 3.4Å; I245-E435 HydrophobicContact CB-CB 3.89Å; I245-E435 HydrophobicContact CB-CG 4.18Å; I245-E435 HydrophobicContact CD1-CB 4.25Å; I245-E435 HydrophobicContact CG2-CB 3.81Å; I245-E435 HydrophobicContact CG2-CG 4.03Å; I245-N436 PolarHBondContact N-OD1 3.35Å; I245-N436 PolarHBondContact O-ND2 3.4Å
246	P	85.5	Confident	90.1	Very high	42 Å²	42	47.1 Å²	47.1	27%	0.273	24%	0.24	S	C	.	.			trans	-65.7	152.7	174.4	-24.1	37.6	0	0	0	111.9	I244 N248 D249	I244-P246 WeakPolarHBondContact O-CD 3.48Å; P246-N248 WeakPolarHBondContact CB-OD1 3.3Å; P246-N248 PolarHBondContact O-N 3.24Å; P246-N248 VanDerWaalsContact O-N 3.17Å; P246-D249 HydrophobicContact CB-CB 4.49Å; P246-D249 CarbonylContact O-C 3.49Å; P246-D249 WeakPolarHBondContact O-CA 3.25Å; P246-D249 WeakPolarHBondContact O-CB 3.5Å; P246-D249 PolarHBondContact O-N 2.83Å
247	E	79.9	Confident	90.3	Very high	99 Å²	99	41.1 Å²	41.1	46%	0.463	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.6	-29.1	-175.8	-167.9	-178.1	144.7	0	0	114.2	N114 D249 R254 M434 E435	N114-E247 HydrophobicContact CB-CG 4.44Å; N114-E247 WeakPolarHBondContact CB-OE1 3.47Å; N114-E247 WeakPolarHBondContact ND2-CG 3.35Å; N114-E247 PolarHBondContact ND2-OE1 3.34Å; E247-D249 PolarHBondContact O-N 2.97Å; E247-R254 PolarHBondContact O-NH2 3.42Å; E247-M434 HydrophobicContact CG-CE 4.08Å; E247-E435 WeakPolarHBondContact CA-OE1 3.36Å
248	N	82.4	Confident	90.4	Very high	115 Å²	115	39 Å²	39	62%	0.615	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-81.1	5.3	174.6	69.6	-21	0	0	0	113.9	K108 P246	K108-N248 PolarHBondContact NZ-O 3.48Å; P246-N248 WeakPolarHBondContact CB-OD1 3.3Å; P246-N248 PolarHBondContact O-N 3.24Å; P246-N248 VanDerWaalsContact O-N 3.17Å
249	D	87.9	Confident	90.5	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-126.6	18.3	179.2	-170.8	31.8	0	0	0	111.8	D207 R242 I245 P246 E247 R282 T285	D207-D249 VanDerWaalsContact OD2-C 3.28Å; D207-D249 VanDerWaalsContact OD2-CA 3.3Å; D207-D249 WeakPolarHBondContact OD2-CA 3.46Å; R242-D249 IonicContact CZ-OD2 3.52Å; R242-D249 IonicContact NE-OD2 3.12Å; R242-D249 PolarHBondContact NE-OD2 3.32Å; R242-D249 VanDerWaalsContact NH2-CG 3.3Å; R242-D249 IonicContact NH2-OD1 3.97Å; R242-D249 IonicContact NH2-OD2 3.47Å; R242-D249 PolarHBondContact NH2-OD2 3.35Å; I245-D249 HydrophobicContact CG2-CB 3.97Å; I245-D249 WeakPolarHBondContact CG2-O 3.4Å; P246-D249 HydrophobicContact CB-CB 4.49Å; P246-D249 CarbonylContact O-C 3.49Å; P246-D249 WeakPolarHBondContact O-CA 3.25Å; P246-D249 WeakPolarHBondContact O-CB 3.5Å; P246-D249 PolarHBondContact O-N 2.83Å; E247-D249 PolarHBondContact O-N 2.97Å; D249-R282 IonicContact OD1-CZ 2.78Å; D249-R282 IonicContact OD1-NH1 2.94Å; D249-R282 PolarHBondContact OD1-NH1 3.45Å; D249-R282 IonicContact OD1-NH2 3.07Å; D249-R282 PolarHBondContact OD1-NH2 2.9Å; D249-R282 IonicContact OD2-CZ 2.71Å; D249-R282 IonicContact OD2-NH1 3.34Å; D249-R282 PolarHBondContact OD2-NH1 3.4Å; D249-R282 IonicContact OD2-NH2 2.56Å; D249-R282 PolarHBondContact OD2-NH2 2.78Å; D249-T285 WeakPolarHBondContact OD1-CG2 3.39Å
250	G	89.1	Confident	90.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.			trans	-110.4	6.8	-179.1	0	0	0	0	0	114.2	D207 T253 R254 E435	D207-G250 PolarHBondContact OD2-N 3.5Å; G250-T253 WeakPolarHBondContact O-CB 3.39Å; G250-T253 PolarHBondContact O-N 3.03Å; G250-R254 WeakPolarHBondContact O-CD 3.39Å; G250-R254 WeakPolarHBondContact O-CG 3.37Å; G250-R254 PolarHBondContact O-N 3.31Å; G250-R254 PolarHBondContact O-NE 3.27Å; G250-E435 WeakPolarHBondContact CA-OE2 3.5Å
251	H	90.9	Very high	91.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-47.2	-172.4	-173.1	-110.9	0	0	0	112.2	K108 F110 D206 D207 T253 R254 C255 F443 S447	K108-H251 HydrophobicContact CD-CB 3.77Å; F110-H251 AromaticContact CD1-CD2 3.54Å; F110-H251 HydrophobicContact CE1-CB 3.81Å; F110-H251 AromaticContact CE1-CD2 3.17Å; F110-H251 WeakPolarHBondContact CE1-CD2 3.39Å; F110-H251 AromaticContact CE1-CG 3.71Å; F110-H251 HydrophobicContact CZ-CB 3.61Å; F110-H251 AromaticContact CZ-CD2 3.71Å; F110-H251 AromaticContact CZ-CG 3.78Å; D206-H251 VanDerWaalsContact CG-ND1 3.31Å; D206-H251 IonicContact OD1-CG 2.97Å; D206-H251 IonicContact OD1-ND1 3.74Å; D206-H251 PolarHBondContact OD1-ND1 3.09Å; D206-H251 IonicContact OD2-CE1 3.98Å; D206-H251 PolarHBondContact OD2-CE1 2.95Å; D206-H251 IonicContact OD2-ND1 3.57Å; D206-H251 PolarHBondContact OD2-ND1 3.26Å; D207-H251 PolarHBondContact OD1-N 3.32Å; D207-H251 WeakPolarHBondContact OD2-CB 3.48Å; D207-H251 PolarHBondContact OD2-N 3.06Å; H251-T253 VanDerWaalsContact C-N 3.28Å; H251-T253 PolarHBondContact O-N 2.89Å; H251-R254 PolarHBondContact O-N 3.49Å; H251-R254 VanDerWaalsContact O-N 3.16Å; H251-C255 PolarHBondContact O-N 3.05Å; H251-C255 PolarHBondContact O-SG 3.47Å; H251-C255 VanDerWaalsContact O-SG 3.37Å; H251-F443 AromaticContact CD2-CE2 3.92Å; H251-F443 AromaticContact CD2-CZ 3.84Å; H251-F443 AromaticContact NE2-CE2 3.91Å; H251-F443 AromaticContact NE2-CZ 3.64Å; H251-S447 PolarHBondContact CE1-OG 2.81Å; H251-S447 VanDerWaalsContact NE2-CB 3.34Å; H251-S447 WeakPolarHBondContact NE2-CB 3.22Å; H251-S447 PolarHBondContact NE2-OG 3.27Å
252	G	94.8	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-34.9	177.2	0	0	0	0	0	112.5	D207 G208 R254 C255 A256	D207-G252 PolarHBondContact OD1-N 3.34Å; G208-G252 CarbonylContact O-C 3.6Å; G208-G252 VanDerWaalsContact O-CA 3.28Å; G208-G252 WeakPolarHBondContact O-CA 3.45Å; G252-R254 PolarHBondContact O-N 3.44Å; G252-C255 PolarHBondContact O-N 3.23Å; G252-A256 WeakPolarHBondContact O-CB 3.37Å; G252-A256 PolarHBondContact O-N 3.21Å
253	T	95.1	Very high	92.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-44.1	174	-58.2	0	0	0	0	111.8	G208 D210 L216 G250 H251 A256 G257 T433	G208-T253 PolarHBondContact O-N 2.94Å; D210-T253 HydrophobicContact CB-CG2 3.57Å; D210-T253 PolarHBondContact N-OG1 3.26Å; L216-T253 HydrophobicContact CD1-CG2 3.86Å; G250-T253 WeakPolarHBondContact O-CB 3.39Å; G250-T253 PolarHBondContact O-N 3.03Å; H251-T253 VanDerWaalsContact C-N 3.28Å; H251-T253 PolarHBondContact O-N 2.89Å; T253-A256 PolarHBondContact O-N 2.92Å; T253-G257 PolarHBondContact O-N 2.94Å; T253-G257 VanDerWaalsContact O-N 3.12Å; T253-T433 PolarHBondContact O-OG1 2.57Å
254	R	92.7	Very high	92.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.8	-40.6	178.5	-62.4	156	-165.6	-169.7	0.3	111.2	N114 E247 G250 H251 G252 G257 L258 T432 T433 E435 M440 F443	N114-R254 PolarHBondContact OD1-NH1 2.97Å; E247-R254 PolarHBondContact O-NH2 3.42Å; G250-R254 WeakPolarHBondContact O-CD 3.39Å; G250-R254 WeakPolarHBondContact O-CG 3.37Å; G250-R254 PolarHBondContact O-N 3.31Å; G250-R254 PolarHBondContact O-NE 3.27Å; H251-R254 PolarHBondContact O-N 3.49Å; H251-R254 VanDerWaalsContact O-N 3.16Å; G252-R254 PolarHBondContact O-N 3.44Å; R254-G257 PolarHBondContact O-N 2.85Å; R254-L258 WeakPolarHBondContact O-CG 3.49Å; R254-L258 PolarHBondContact O-N 2.74Å; R254-T432 HydrophobicContact CB-CG2 4.22Å; R254-T432 PolarHBondContact O-OG1 3.43Å; R254-T433 WeakPolarHBondContact CG-O 3.13Å; R254-E435 IonicContact CZ-OE2 3.83Å; R254-E435 IonicContact NE-OE2 3.51Å; R254-E435 PolarHBondContact NE-OE2 2.84Å; R254-E435 VanDerWaalsContact NE-OE2 3.09Å; R254-E435 IonicContact NH2-OE1 3.92Å; R254-E435 PolarHBondContact NH2-OE1 3.39Å; R254-E435 IonicContact NH2-OE2 2.89Å; R254-E435 PolarHBondContact NH2-OE2 3Å; R254-E435 VanDerWaalsContact NH2-OE2 3.12Å; R254-M440 HydrophobicContact CG-CE 4.47Å; R254-M440 VanDerWaalsContact NH1-CE 3.33Å; R254-F443 HydrophobicContact CB-CD1 3.87Å; R254-F443 HydrophobicContact CB-CE1 3.88Å; R254-F443 HydrophobicContact CB-CG 4.28Å; R254-F443 HydrophobicContact CB-CZ 4.25Å
255	C	94.9	Very high	92.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-45.3	174.3	-65.8	0	0	0	0	111.6	V204 H251 G252 G257 L258 A259 S447 P451	V204-C255 HydrophobicContact CG1-CB 3.97Å; V204-C255 HydrophobicContact CG2-CB 4.37Å; H251-C255 PolarHBondContact O-N 3.05Å; H251-C255 PolarHBondContact O-SG 3.47Å; H251-C255 VanDerWaalsContact O-SG 3.37Å; G252-C255 PolarHBondContact O-N 3.23Å; C255-G257 VanDerWaalsContact C-N 3.33Å; C255-G257 PolarHBondContact O-N 2.87Å; C255-L258 PolarHBondContact O-N 3.21Å; C255-A259 PolarHBondContact O-N 3.39Å; C255-S447 PolarHBondContact SG-O 3.39Å; C255-P451 HydrophobicContact CB-CB 4.21Å; C255-P451 HydrophobicContact CB-CG 4.05Å; C255-P451 WeakPolarHBondContact O-CB 3.44Å
256	A	97.7	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-40.6	179.9	0	0	0	0	0	112.3	V204 L209 L216 G252 T253 L258 A259 G260 L278	V204-A256 HydrophobicContact CG2-CB 3.92Å; L209-A256 HydrophobicContact CD1-CB 3.37Å; L216-A256 HydrophobicContact CD1-CB 4.35Å; G252-A256 WeakPolarHBondContact O-CB 3.37Å; G252-A256 PolarHBondContact O-N 3.21Å; T253-A256 PolarHBondContact O-N 2.92Å; A256-L258 VanDerWaalsContact C-N 3.3Å; A256-L258 PolarHBondContact O-N 2.92Å; A256-A259 PolarHBondContact O-N 3.05Å; A256-G260 PolarHBondContact O-N 3.06Å; A256-L278 HydrophobicContact CB-CD1 4.28Å
257	G	96.5	Very high	93.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-39.9	175.3	0	0	0	0	0	113.2	T253 R254 C255 A259 A261 G271 T433	T253-G257 PolarHBondContact O-N 2.94Å; T253-G257 VanDerWaalsContact O-N 3.12Å; R254-G257 PolarHBondContact O-N 2.85Å; C255-G257 VanDerWaalsContact C-N 3.33Å; C255-G257 PolarHBondContact O-N 2.87Å; G257-A259 VanDerWaalsContact C-N 3.34Å; G257-A259 PolarHBondContact O-N 3.47Å; G257-A261 WeakPolarHBondContact O-CB 3.05Å; G257-A261 PolarHBondContact O-N 2.8Å; G257-G271 WeakPolarHBondContact O-CA 3.47Å; G257-T433 WeakPolarHBondContact CA-OG1 3.31Å
258	L	95.9	Very high	93.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-67.6	-34.4	177.1	-65.2	-178.8	0	0	0	113.4	R254 C255 A256 G271 V272 R430 T432 F443 A448 P451	R254-L258 WeakPolarHBondContact O-CG 3.49Å; R254-L258 PolarHBondContact O-N 2.74Å; C255-L258 PolarHBondContact O-N 3.21Å; A256-L258 VanDerWaalsContact C-N 3.3Å; A256-L258 PolarHBondContact O-N 2.92Å; L258-G271 WeakPolarHBondContact O-CA 3.34Å; L258-V272 PolarHBondContact O-N 2.88Å; L258-R430 VanDerWaalsContact CD1-NH1 3.29Å; L258-T432 VanDerWaalsContact CD2-CB 3.41Å; L258-T432 HydrophobicContact CD2-CG2 4.13Å; L258-T432 VanDerWaalsContact CD2-OG1 3.29Å; L258-T432 WeakPolarHBondContact CD2-OG1 2.98Å; L258-T432 HydrophobicContact CG-CG2 4.41Å; L258-F443 HydrophobicContact CD1-CD1 3.41Å; L258-F443 VanDerWaalsContact CD1-CD1 3.41Å; L258-F443 HydrophobicContact CD1-CE1 3.79Å; L258-F443 HydrophobicContact CG-CD1 4.29Å; L258-A448 HydrophobicContact CD1-CB 3.92Å; L258-P451 HydrophobicContact CB-CB 4.06Å; L258-P451 HydrophobicContact CB-CG 3.97Å; L258-P451 HydrophobicContact CD1-CG 3.95Å
259	A	98.1	Very high	94.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-74	-46.1	177.4	0	0	0	0	0	111.8	V202 C255 A256 G257 V272 A273 L278 P451	V202-A259 HydrophobicContact CG1-CB 4.14Å; C255-A259 PolarHBondContact O-N 3.39Å; A256-A259 PolarHBondContact O-N 3.05Å; G257-A259 VanDerWaalsContact C-N 3.34Å; G257-A259 PolarHBondContact O-N 3.47Å; A259-V272 PolarHBondContact O-N 2.98Å; A259-A273 PolarHBondContact O-N 3Å; A259-L278 HydrophobicContact CB-CD2 4.18Å; A259-P451 WeakPolarHBondContact CA-O 3.24Å; A259-P451 HydrophobicContact CB-CB 4.14Å; A259-P451 WeakPolarHBondContact CB-O 3.42Å
260	G	98	Very high	94.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-157.5	33.6	-166.6	0	0	0	0	0	116.5	N219 A256 A273 L278	N219-G260 PolarHBondContact ND2-O 2.79Å; A256-G260 PolarHBondContact O-N 3.06Å; G260-A273 WeakPolarHBondContact CA-O 3.41Å; G260-L278 WeakPolarHBondContact O-CD1 3.32Å
261	A	97.6	Very high	95	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-56.2	145.2	164.6	0	0	0	0	0	111.4	D215 L216 G257 M263 G271 P274 T433	D215-A261 HydrophobicContact CB-CB 4.5Å; D215-A261 CarbonylContact O-C 3.56Å; D215-A261 WeakPolarHBondContact O-CA 3.18Å; D215-A261 WeakPolarHBondContact OD2-CB 3.49Å; L216-A261 HydrophobicContact CD2-CB 4.23Å; G257-A261 WeakPolarHBondContact O-CB 3.05Å; G257-A261 PolarHBondContact O-N 2.8Å; A261-M263 PolarHBondContact O-N 2.62Å; A261-G271 PolarHBondContact O-N 2.74Å; A261-P274 WeakPolarHBondContact O-CA 3.32Å; A261-P274 WeakPolarHBondContact O-CB 3.26Å; A261-T433 HydrophobicContact CB-CG2 4.26Å
262	V	97.5	Very high	95.4	Very high	25 Å²	25	15.4 Å²	15.4	15%	0.152	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-69.5	124.6	-174.1	176.6	0	0	0	0	109.4	D215 A218 N219 N265	D215-V262 WeakPolarHBondContact O-CG2 3.47Å; D215-V262 PolarHBondContact O-N 3.47Å; A218-V262 HydrophobicContact CB-CG2 3.88Å; N219-V262 HydrophobicContact CB-CG2 4.47Å; V262-N265 HydrophobicContact CG1-CB 4.07Å; V262-N265 PolarHBondContact O-ND2 3.41Å
263	M	95.8	Very high	95.5	Very high	34 Å²	34	15.4 Å²	15.4	17%	0.167	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	144.3	175.1	-176.8	-178.3	174.4	0	0	111.4	V157 V159 F191 A261 H270 P274	V157-M263 HydrophobicContact CG1-CE 3.51Å; V159-M263 HydrophobicContact CB-CE 4.24Å; V159-M263 HydrophobicContact CG1-CE 4.19Å; V159-M263 HydrophobicContact CG1-CG 4.15Å; V159-M263 HydrophobicContact CG2-CE 3.44Å; V159-M263 VanDerWaalsContact CG2-CE 3.44Å; F191-M263 HydrophobicContact CD2-CE 3.97Å; F191-M263 HydrophobicContact CD2-SD 4Å; F191-M263 HydrophobicContact CE2-CE 4.2Å; F191-M263 HydrophobicContact CE2-SD 3.84Å; F191-M263 HydrophobicContact CZ-SD 4.33Å; A261-M263 PolarHBondContact O-N 2.62Å; M263-H270 HydrophobicContact CB-CB 3.75Å; M263-H270 HydrophobicContact CG-CB 4.06Å; M263-P274 HydrophobicContact CB-CB 3.43Å; M263-P274 VanDerWaalsContact CB-CB 3.43Å; M263-P274 HydrophobicContact CB-CG 3.91Å; M263-P274 HydrophobicContact SD-CG 4.1Å
264	N	95.6	Very high	95.7	Very high	73 Å²	73	15.6 Å²	15.6	39%	0.39	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	34.9	175.3	-69.9	-33.9	0	0	0	115.1	N158 V159 N160 D161	N158-N264 PolarHBondContact O-OD1 2.57Å; V159-N264 VanDerWaalsContact CA-OD1 3.25Å; V159-N264 WeakPolarHBondContact CA-OD1 3.11Å; N160-N264 PolarHBondContact N-OD1 2.77Å; N160-N264 WeakPolarHBondContact OD1-CA 3.5Å; D161-N264 WeakPolarHBondContact OD1-CA 3.38Å; D161-N264 PolarHBondContact OD1-N 3.35Å; D161-N264 VanDerWaalsContact OD1-N 3.16Å; D161-N264 PolarHBondContact OD2-N 3.16Å
265	N	95	Very high	96	Very high	48 Å²	48	21 Å²	21	26%	0.257	11%	0.111	S	C	.	.	S	Bend	trans	-103	6.5	174.5	67.3	3.6	0	0	0	112.6	D161 D215 V262 F267	D161-N265 PolarHBondContact OD1-N 3.42Å; D161-N265 PolarHBondContact OD1-OD1 2.95Å; D215-N265 PolarHBondContact OD1-ND2 2.81Å; V262-N265 HydrophobicContact CG1-CB 4.07Å; V262-N265 PolarHBondContact O-ND2 3.41Å; N265-F267 PolarHBondContact O-N 2.73Å; N265-F267 WeakPolarHBondContact OD1-CB 3.21Å; N265-F267 PolarHBondContact OD1-N 3.17Å; N265-F267 PolarHBondContact OD1-O 3.29Å
266	S	94.6	Very high	96.1	Very high	74 Å²	74	21 Å²	21	52%	0.517	11%	0.111	S	C	.	.	S	Bend	trans	59.7	26.7	-177.9	-53.6	0	0	0	0	113.5	N160 D161	N160-S266 PolarHBondContact ND2-OG 2.84Å; N160-S266 PolarHBondContact OD1-N 2.79Å; D161-S266 PolarHBondContact OD1-N 3.29Å; D161-S266 VanDerWaalsContact OD1-N 3.07Å
267	F	91.9	Very high	96.2	Very high	56 Å²	56	24.8 Å²	24.8	25%	0.246	13%	0.128	C	C	.	.	S	Bend	trans	-132.9	141.2	-175.4	-166.2	-96	0	0	0	110.7	H213 P214 D215 N265 S269 D437	H213-F267 AromaticContact CE1-CE1 3.56Å; P214-F267 HydrophobicContact CB-CD1 4.26Å; P214-F267 HydrophobicContact CB-CE1 4.25Å; P214-F267 HydrophobicContact CB-CG 4.43Å; P214-F267 HydrophobicContact CB-CZ 4.46Å; P214-F267 HydrophobicContact CG-CE1 4.43Å; P214-F267 HydrophobicContact CG-CZ 4.28Å; D215-F267 HydrophobicContact CB-CD1 3.85Å; D215-F267 HydrophobicContact CB-CE1 4.33Å; N265-F267 PolarHBondContact O-N 2.73Å; N265-F267 WeakPolarHBondContact OD1-CB 3.21Å; N265-F267 PolarHBondContact OD1-N 3.17Å; N265-F267 PolarHBondContact OD1-O 3.29Å; F267-S269 PolarHBondContact O-N 2.71Å; F267-D437 WeakPolarHBondContact CZ-O 3.42Å
268	C	89.8	Confident	96.3	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.034	13%	0.128	C	C	.	.	S	Bend	trans	38.2	-105.7	-176.6	-58.7	0	0	0	0	114.5	A163 D215 C439	A163-C268 WeakPolarHBondContact CB-O 3.38Å; A163-C268 PolarHBondContact N-O 3.34Å; D215-C268 WeakPolarHBondContact OD2-CB 3.39Å; C268-C439 WeakPolarHBondContact CA-SG 3.42Å; C268-C439 HydrophobicContact CB-CB 3.83Å; C268-C439 WeakPolarHBondContact CB-SG 3.46Å; C268-C439 WeakPolarHBondContact SG-CA 3.37Å; C268-C439 WeakPolarHBondContact SG-CB 3.23Å; C268-C439 CovalentContact SG-SG 2.03Å; C268-C439 PolarHBondContact SG-SG 3.14Å
269	S	90.6	Very high	96.4	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.021	13%	0.127	C	C	.	.			trans	-145.1	-168.8	-174.5	-165.5	0	0	0	0	108.1	V167 F267	V167-S269 WeakPolarHBondContact CG2-OG 3.49Å; F267-S269 PolarHBondContact O-N 2.71Å
270	H	94.6	Very high	96.4	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.127	C	C	.	.			trans	-126.1	153.5	175.9	58.3	-74.9	0	0	0	112.2	D161 Y170 Y188 M263	D161-H270 IonicContact OD2-ND1 2.63Å; Y170-H270 AromaticContact CD2-CE1 3.8Å; Y170-H270 AromaticContact CD2-NE2 3.34Å; Y170-H270 VanDerWaalsContact CD2-NE2 3.34Å; Y170-H270 WeakPolarHBondContact CD2-NE2 3.47Å; Y170-H270 AromaticContact CE2-CD2 3.7Å; Y170-H270 AromaticContact CE2-CE1 3.84Å; Y170-H270 AromaticContact CE2-NE2 3.4Å; Y170-H270 WeakPolarHBondContact CE2-NE2 3.5Å; Y170-H270 WeakPolarHBondContact CE2-O 3.39Å; Y170-H270 PolarHBondContact OH-O 2.77Å; Y188-H270 AromaticContact CE1-NE2 3.45Å; Y188-H270 WeakPolarHBondContact CE1-NE2 3.46Å; Y188-H270 AromaticContact CZ-NE2 3.97Å; Y188-H270 PolarHBondContact OH-CE1 2.91Å; Y188-H270 VanDerWaalsContact OH-CE1 3.29Å; M263-H270 HydrophobicContact CB-CB 3.75Å; M263-H270 HydrophobicContact CG-CB 4.06Å
271	G	97.1	Very high	96.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.			trans	-76.7	163.9	173.2	0	0	0	0	0	111.7	G257 L258 A261 A273	G257-G271 WeakPolarHBondContact O-CA 3.47Å; L258-G271 WeakPolarHBondContact O-CA 3.34Å; A261-G271 PolarHBondContact O-N 2.74Å; G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.85Å
272	V	98.4	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-62.7	-38.8	176.3	172.7	0	0	0	0	111.4	Y170 I185 L187 L258 A259 P274 M452 G455 C456 L459	Y170-V272 HydrophobicContact CD1-CG2 4.43Å; Y170-V272 HydrophobicContact CE1-CG2 3.56Å; I185-V272 HydrophobicContact CD1-CG1 4.1Å; I185-V272 HydrophobicContact CD1-CG2 3.82Å; L187-V272 HydrophobicContact CD1-CG1 3.79Å; L187-V272 HydrophobicContact CD2-CG2 4.49Å; L258-V272 PolarHBondContact O-N 2.88Å; A259-V272 PolarHBondContact O-N 2.98Å; V272-P274 VanDerWaalsContact O-CD 3.27Å; V272-P274 WeakPolarHBondContact O-CD 3.24Å; V272-M452 HydrophobicContact CG2-CB 4.14Å; V272-M452 HydrophobicContact CG2-CG 4.2Å; V272-G455 VanDerWaalsContact CG1-C 3.46Å; V272-C456 HydrophobicContact CG1-CB 4.48Å; V272-C456 VanDerWaalsContact CG1-SG 3.58Å; V272-L459 HydrophobicContact CG1-CD1 3.93Å
273	A	98.7	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-114.9	76.2	175.9	0	0	0	0	0	110.6	T196 A259 G260 G271 K275 T276 A458 L459	T196-A273 CarbonylContact O-C 3.43Å; T196-A273 WeakPolarHBondContact O-CA 3.47Å; A259-A273 PolarHBondContact O-N 3Å; G260-A273 WeakPolarHBondContact CA-O 3.41Å; G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.85Å; A273-K275 PolarHBondContact O-N 3.29Å; A273-T276 HydrophobicContact CB-CG2 4.03Å; A273-T276 VanDerWaalsContact O-CG2 3.22Å; A273-T276 WeakPolarHBondContact O-CG2 3.5Å; A273-T276 PolarHBondContact O-N 2.99Å; A273-A458 HydrophobicContact CB-CB 3.64Å; A273-L459 HydrophobicContact CB-CD2 4.4Å; A273-L459 HydrophobicContact CB-CG 4.36Å
274	P	98.3	Very high	95.9	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.026	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-2.3	-166	29.2	-38	0	0	0	115.5	F191 T196 N219 A261 M263 V272	F191-P274 HydrophobicContact CE1-CG 4.04Å; F191-P274 HydrophobicContact CZ-CG 4.02Å; T196-P274 WeakPolarHBondContact O-CD 3.21Å; N219-P274 PolarHBondContact ND2-O 2.04Å; A261-P274 WeakPolarHBondContact O-CA 3.32Å; A261-P274 WeakPolarHBondContact O-CB 3.26Å; M263-P274 HydrophobicContact CB-CB 3.43Å; M263-P274 VanDerWaalsContact CB-CB 3.43Å; M263-P274 HydrophobicContact CB-CG 3.91Å; M263-P274 HydrophobicContact SD-CG 4.1Å; V272-P274 VanDerWaalsContact O-CD 3.27Å; V272-P274 WeakPolarHBondContact O-CD 3.24Å
275	K	98.4	Very high	95.4	Very high	112 Å²	112	21.9 Å²	21.9	49%	0.487	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	12.7	173.1	-64.1	-167.6	176.9	-177.3	0	113.5	T196 G197 R198 A273	T196-K275 PolarHBondContact O-N 2.99Å; G197-K275 CarbonylContact O-C 3.55Å; R198-K275 HydrophobicContact CG-CB 3.45Å; R198-K275 VanDerWaalsContact CG-CB 3.45Å; R198-K275 HydrophobicContact CG-CD 3.69Å; R198-K275 HydrophobicContact CG-CG 4.21Å; A273-K275 PolarHBondContact O-N 3.29Å
276	T	98.7	Very high	94.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-68	145.6	167.1	-163	0	0	0	0	109.7	G197 T200 V202 N219 A273 L278	G197-T276 WeakPolarHBondContact O-CA 3.46Å; G197-T276 PolarHBondContact O-N 2.88Å; T200-T276 PolarHBondContact O-OG1 2.75Å; T200-T276 PolarHBondContact OG1-OG1 2.98Å; V202-T276 HydrophobicContact CB-CG2 4.31Å; V202-T276 HydrophobicContact CG2-CG2 4.08Å; N219-T276 WeakPolarHBondContact CB-O 3.15Å; A273-T276 HydrophobicContact CB-CG2 4.03Å; A273-T276 VanDerWaalsContact O-CG2 3.22Å; A273-T276 WeakPolarHBondContact O-CG2 3.5Å; A273-T276 PolarHBondContact O-N 2.99Å; T276-L278 HydrophobicContact CG2-CD2 4.06Å; T276-L278 HydrophobicContact CG2-CG 4.33Å
277	K	98.8	Very high	94.4	Very high	80 Å²	80	19.4 Å²	19.4	35%	0.348	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.8	165.6	-64.8	-55.7	-173	177.5	0	109.9	T200 N201 V202 A218 N219 D221 I224	T200-K277 PolarHBondContact O-N 2.91Å; N201-K277 WeakPolarHBondContact OD1-CB 3.43Å; V202-K277 PolarHBondContact N-O 3.38Å; A218-K277 PolarHBondContact O-NZ 2.77Å; A218-K277 VanDerWaalsContact O-NZ 3.15Å; N219-K277 CarbonylContact O-C 3.46Å; N219-K277 VanDerWaalsContact O-CA 3.28Å; N219-K277 WeakPolarHBondContact O-CA 3.36Å; N219-K277 WeakPolarHBondContact O-CD 3.5Å; D221-K277 HydrophobicContact CB-CB 4.01Å; D221-K277 HydrophobicContact CB-CD 4.44Å; D221-K277 HydrophobicContact CB-CG 4.41Å; I224-K277 HydrophobicContact CD1-CB 4.4Å
278	L	98.7	Very high	94.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.6	-177.9	-72.7	175.5	0	0	0	109.6	V202 L216 N219 Y220 D221 A256 A259 G260 T276	V202-L278 HydrophobicContact CB-CD2 4.3Å; V202-L278 VanDerWaalsContact O-CA 3.32Å; V202-L278 WeakPolarHBondContact O-CA 3.32Å; L216-L278 HydrophobicContact CD2-CD1 3.94Å; N219-L278 HydrophobicContact CB-CD1 4.3Å; N219-L278 HydrophobicContact CB-CG 4.41Å; N219-L278 PolarHBondContact O-N 2.84Å; Y220-L278 WeakPolarHBondContact CA-O 3.39Å; D221-L278 PolarHBondContact N-O 2.85Å; A256-L278 HydrophobicContact CB-CD1 4.28Å; A259-L278 HydrophobicContact CB-CD2 4.18Å; G260-L278 WeakPolarHBondContact O-CD1 3.32Å; T276-L278 HydrophobicContact CG2-CD2 4.06Å; T276-L278 HydrophobicContact CG2-CG 4.33Å
279	G	98.3	Very high	94.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	154	167.4	0	0	0	0	0	112.2	V202 V203 V204 S225	V202-G279 PolarHBondContact O-N 2.79Å; V203-G279 WeakPolarHBondContact CA-O 3.47Å; V204-G279 PolarHBondContact N-O 3.09Å; S225-G279 WeakPolarHBondContact OG-CA 3.48Å
280	G	98	Very high	94.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.7	171	0	0	0	0	0	110.3	S225 V226 P238	S225-G280 CarbonylContact C-O 3.57Å; S225-G280 VanDerWaalsContact CA-O 3.28Å; S225-G280 WeakPolarHBondContact CA-O 3.48Å; S225-G280 PolarHBondContact OG-N 3.34Å; V226-G280 PolarHBondContact N-O 3.43Å; P238-G280 VanDerWaalsContact CB-O 3.3Å; P238-G280 WeakPolarHBondContact CB-O 3.42Å
281	I	97.7	Very high	94.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.1	167.2	-58.8	169.8	0	0	0	108.1	V203 V204 L205 D206 V226 M228 I283 G296 Y299 I304 F307	V203-I281 HydrophobicContact CG1-CB 4.29Å; V203-I281 HydrophobicContact CG1-CD1 3.52Å; V203-I281 HydrophobicContact CG1-CG1 3.51Å; V204-I281 PolarHBondContact O-N 2.96Å; L205-I281 WeakPolarHBondContact CA-O 3.29Å; L205-I281 HydrophobicContact CB-CB 4.49Å; L205-I281 HydrophobicContact CD1-CB 3.47Å; L205-I281 VanDerWaalsContact CD1-CB 3.47Å; L205-I281 HydrophobicContact CD1-CD1 4.33Å; L205-I281 HydrophobicContact CD1-CG2 3.26Å; D206-I281 PolarHBondContact N-O 3.07Å; V226-I281 HydrophobicContact CG1-CG1 4.13Å; V226-I281 HydrophobicContact CG1-CG2 4.01Å; V226-I281 WeakPolarHBondContact O-CA 3.34Å; M228-I281 HydrophobicContact CE-CG2 3.78Å; M228-I281 HydrophobicContact CG-CG2 4.28Å; M228-I281 HydrophobicContact SD-CG2 4.07Å; I281-I283 HydrophobicContact CG2-CG2 4.12Å; I281-G296 WeakPolarHBondContact CD1-O 3.41Å; I281-Y299 HydrophobicContact CD1-CD1 3.79Å; I281-Y299 HydrophobicContact CD1-CG 4.19Å; I281-Y299 HydrophobicContact CG1-CD1 4.1Å; I281-I304 HydrophobicContact CD1-CD1 4.43Å; I281-F307 HydrophobicContact CD1-CE1 4.26Å
282	R	96	Very high	94	Very high	6 Å²	6	18.1 Å²	18.1	2%	0.023	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.5	-176.8	168.3	170.3	-164.6	110.2	8.1	111	D206 D207 V226 N227 M228 D229 P238 D249 T285	D206-R282 WeakPolarHBondContact O-CA 3.43Å; D207-R282 WeakPolarHBondContact O-CD 3.44Å; D207-R282 WeakPolarHBondContact O-CG 3.23Å; D207-R282 PolarHBondContact O-NE 2.76Å; D207-R282 PolarHBondContact O-NH1 3.32Å; V226-R282 PolarHBondContact O-N 3.02Å; N227-R282 HydrophobicContact CB-CB 4.43Å; N227-R282 VanDerWaalsContact OD1-CD 3.25Å; N227-R282 WeakPolarHBondContact OD1-CD 3.42Å; N227-R282 VanDerWaalsContact OD1-CG 3.25Å; N227-R282 WeakPolarHBondContact OD1-CG 3.1Å; M228-R282 PolarHBondContact N-O 2.9Å; D229-R282 HydrophobicContact CB-CG 4.25Å; D229-R282 PolarHBondContact N-O 3.21Å; P238-R282 HydrophobicContact CB-CB 4.27Å; P238-R282 WeakPolarHBondContact O-CD 3.26Å; D249-R282 IonicContact OD1-CZ 2.78Å; D249-R282 IonicContact OD1-NH1 2.94Å; D249-R282 PolarHBondContact OD1-NH1 3.45Å; D249-R282 IonicContact OD1-NH2 3.07Å; D249-R282 PolarHBondContact OD1-NH2 2.9Å; D249-R282 IonicContact OD2-CZ 2.71Å; D249-R282 IonicContact OD2-NH1 3.34Å; D249-R282 PolarHBondContact OD2-NH1 3.4Å; D249-R282 IonicContact OD2-NH2 2.56Å; D249-R282 PolarHBondContact OD2-NH2 2.78Å; R282-T285 VanDerWaalsContact CZ-OG1 3.25Å; R282-T285 PolarHBondContact NE-OG1 3.45Å; R282-T285 VanDerWaalsContact NH2-CB 3.25Å; R282-T285 PolarHBondContact NH2-OG1 2.94Å
283	I	93.7	Very high	93.8	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.098	C	C	.	.			trans	-129.5	-25.5	176.1	63.6	165.4	0	0	0	113.7	L205 D206 M228 I281 T285 V288 V292 W311	L205-I283 HydrophobicContact CD1-CD1 3.83Å; L205-I283 HydrophobicContact CD1-CG1 3.96Å; L205-I283 HydrophobicContact CD1-CG2 3.87Å; L205-I283 HydrophobicContact CD2-CD1 4.35Å; L205-I283 HydrophobicContact CG-CD1 3.93Å; L205-I283 HydrophobicContact CG-CG1 4.35Å; D206-I283 PolarHBondContact O-N 2.87Å; M228-I283 HydrophobicContact CB-CG2 4.12Å; M228-I283 HydrophobicContact CG-CG2 4.45Å; M228-I283 HydrophobicContact SD-CG2 4.19Å; I281-I283 HydrophobicContact CG2-CG2 4.12Å; I283-T285 PolarHBondContact O-N 3.17Å; I283-V288 WeakPolarHBondContact O-CG2 3.35Å; I283-V292 HydrophobicContact CB-CG1 3.85Å; I283-V292 HydrophobicContact CG2-CG1 3.69Å; I283-W311 HydrophobicContact CD1-CH2 4.2Å; I283-W311 HydrophobicContact CD1-CZ2 3.62Å
284	L	91.8	Very high	93.7	Very high	26 Å²	26	18.3 Å²	18.3	14%	0.136	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	11.4	-163.4	-57	-180	0	0	0	116.4	V106 K108 D206 D207 V288 W311	V106-L284 HydrophobicContact CG1-CD2 3.72Å; K108-L284 HydrophobicContact CD-CD1 4.02Å; K108-L284 HydrophobicContact CG-CD1 3.43Å; K108-L284 VanDerWaalsContact CG-CD1 3.43Å; D206-L284 HydrophobicContact CB-CD1 4.41Å; D206-L284 PolarHBondContact O-N 3.31Å; D207-L284 HydrophobicContact CB-CB 4.15Å; L284-V288 HydrophobicContact CD2-CG2 4.37Å; L284-W311 HydrophobicContact CD1-CB 3.75Å; L284-W311 HydrophobicContact CD1-CG 3.73Å; L284-W311 HydrophobicContact CD2-CB 4.37Å; L284-W311 HydrophobicContact CD2-CD2 4.17Å; L284-W311 HydrophobicContact CD2-CG 4.03Å; L284-W311 HydrophobicContact CG-CG 4.44Å
285	T	85.4	Confident	93.5	Very high	40 Å²	40	21 Å²	21	25%	0.245	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-2.8	178.1	57.9	0	0	0	0	115.1	D207 D229 R230 D249 R282 I283	D207-T285 HydrophobicContact CB-CG2 3.84Å; D229-T285 WeakPolarHBondContact OD2-CB 3.29Å; D229-T285 PolarHBondContact OD2-OG1 3.22Å; R230-T285 PolarHBondContact NH2-O 2.94Å; D249-T285 WeakPolarHBondContact OD1-CG2 3.39Å; R282-T285 VanDerWaalsContact CZ-OG1 3.25Å; R282-T285 PolarHBondContact NE-OG1 3.45Å; R282-T285 VanDerWaalsContact NH2-CB 3.25Å; R282-T285 PolarHBondContact NH2-OG1 2.94Å; I283-T285 PolarHBondContact O-N 3.17Å
286	G	83.1	Confident	93.4	Very high	18 Å²	18	15.6 Å²	15.6	19%	0.186	8%	0.084	C	C	.	.	S	Bend	trans	-120.9	-177.3	175.2	0	0	0	0	0	111.6	D229 V288	D229-G286 WeakPolarHBondContact OD1-CA 3.46Å; D229-G286 PolarHBondContact OD2-N 3.07Å; D229-G286 VanDerWaalsContact OD2-N 3.15Å; G286-V288 PolarHBondContact O-N 2.92Å
287	P	83.5	Confident	93.3	Very high	51 Å²	51	15.6 Å²	15.6	33%	0.331	8%	0.084	S	C	.	.			trans	-60.1	119.7	168.7	-19	32.2	0	0	0	110.2	Y23 I103	Y23-P287 HydrophobicContact CE2-CB 4.42Å; I103-P287 HydrophobicContact CD1-CB 3.84Å; I103-P287 HydrophobicContact CD1-CG 4.46Å; I103-P287 HydrophobicContact CG1-CB 3.88Å; I103-P287 HydrophobicContact CG2-CB 4.01Å
288	V	89.3	Confident	93.2	Very high	8 Å²	8	12.5 Å²	12.5	5%	0.048	7%	0.072	C	C	.	.			trans	-92.2	130.2	176	-176.9	0	0	0	0	108.9	I103 L104 V106 I283 L284 G286 E293	I103-V288 CarbonylContact C-O 3.48Å; I103-V288 WeakPolarHBondContact CA-O 3.11Å; L104-V288 PolarHBondContact N-O 2.65Å; V106-V288 HydrophobicContact CG2-CB 4.17Å; V106-V288 HydrophobicContact CG2-CG1 3.96Å; I283-V288 WeakPolarHBondContact O-CG2 3.35Å; L284-V288 HydrophobicContact CD2-CG2 4.37Å; G286-V288 PolarHBondContact O-N 2.92Å; V288-E293 HydrophobicContact CG1-CG 3.57Å
289	T	90.6	Very high	93.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.081	C	C	.	.			trans	-117	162	171.9	69.7	0	0	0	0	108.8	Y23 E57 L101 K102 F291 V292 E293	Y23-T289 HydrophobicContact CD2-CG2 4.24Å; Y23-T289 HydrophobicContact CG-CG2 4.4Å; E57-T289 PolarHBondContact OE1-OG1 3.33Å; L101-T289 HydrophobicContact CB-CG2 4.22Å; K102-T289 WeakPolarHBondContact O-CG2 3.36Å; T289-F291 PolarHBondContact O-N 3.11Å; T289-F291 VanDerWaalsContact O-N 3.12Å; T289-F291 PolarHBondContact OG1-N 3.25Å; T289-V292 PolarHBondContact O-N 3.06Å; T289-V292 PolarHBondContact OG1-N 3.16Å; T289-E293 PolarHBondContact O-N 2.97Å; T289-E293 VanDerWaalsContact O-N 3.11Å
290	D	91	Very high	93	Very high	13 Å²	13	18.8 Å²	18.8	7%	0.07	10%	0.098	C	C	.	.	H	α-helix	trans	-48	-38.7	169.6	174.9	31.5	0	0	0	111.1	L104 A294 H324 Y326 T327	L104-D290 HydrophobicContact CD1-CB 4.37Å; D290-A294 WeakPolarHBondContact O-CB 3.31Å; D290-A294 PolarHBondContact O-N 2.76Å; D290-H324 HydrophobicContact CB-CB 3.82Å; D290-H324 VanDerWaalsContact OD1-CB 3.31Å; D290-H324 WeakPolarHBondContact OD1-CB 3.39Å; D290-H324 WeakPolarHBondContact OD2-CB 3.44Å; D290-Y326 PolarHBondContact OD1-N 3.43Å; D290-Y326 WeakPolarHBondContact OD2-CD2 3.32Å; D290-Y326 PolarHBondContact OD2-N 2.91Å; D290-T327 PolarHBondContact O-OG1 3.29Å; D290-T327 WeakPolarHBondContact OD1-CB 3.07Å; D290-T327 PolarHBondContact OD1-N 2.89Å; D290-T327 PolarHBondContact OD1-OG1 2.89Å
291	F	92.1	Very high	92.9	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-68.8	-37.6	179	-164	-83.8	0	0	0	113.5	A25 G48 L50 V55 E57 L101 T289 R295 Y326	A25-F291 HydrophobicContact CB-CD2 4.48Å; G48-F291 VanDerWaalsContact C-CE1 3.49Å; L50-F291 HydrophobicContact CB-CE2 4.27Å; L50-F291 HydrophobicContact CB-CZ 4.24Å; L50-F291 HydrophobicContact CD1-CD2 3.89Å; L50-F291 HydrophobicContact CD1-CE2 3.59Å; L50-F291 HydrophobicContact CD1-CZ 4.02Å; L50-F291 HydrophobicContact CG-CD2 4.45Å; L50-F291 HydrophobicContact CG-CE1 4.27Å; L50-F291 HydrophobicContact CG-CE2 3.76Å; L50-F291 HydrophobicContact CG-CZ 3.67Å; V55-F291 HydrophobicContact CB-CE2 4.06Å; V55-F291 HydrophobicContact CG1-CD2 4.22Å; V55-F291 HydrophobicContact CG1-CE2 3.66Å; E57-F291 HydrophobicContact CB-CB 4.42Å; E57-F291 HydrophobicContact CB-CD1 3.34Å; E57-F291 HydrophobicContact CB-CD2 4.19Å; E57-F291 HydrophobicContact CB-CE1 3.46Å; E57-F291 VanDerWaalsContact CB-CE1 3.46Å; E57-F291 HydrophobicContact CB-CE2 4.28Å; E57-F291 HydrophobicContact CB-CG 3.72Å; E57-F291 HydrophobicContact CB-CZ 3.92Å; E57-F291 HydrophobicContact CG-CD1 4.18Å; E57-F291 HydrophobicContact CG-CG 4.37Å; L101-F291 HydrophobicContact CD1-CB 3.68Å; L101-F291 HydrophobicContact CD1-CG 4.39Å; L101-F291 HydrophobicContact CD2-CB 4.33Å; T289-F291 PolarHBondContact O-N 3.11Å; T289-F291 VanDerWaalsContact O-N 3.12Å; T289-F291 PolarHBondContact OG1-N 3.25Å; F291-R295 WeakPolarHBondContact O-CB 3.35Å; F291-R295 PolarHBondContact O-N 3.42Å; F291-Y326 HydrophobicContact CD2-CD2 4.33Å
292	V	93.2	Very high	92.8	Very high	17 Å²	17	22.6 Å²	22.6	10%	0.103	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-44.3	177.6	171.6	0	0	0	0	110.9	I283 T289 R295 G296	I283-V292 HydrophobicContact CB-CG1 3.85Å; I283-V292 HydrophobicContact CG2-CG1 3.69Å; T289-V292 PolarHBondContact O-N 3.06Å; T289-V292 PolarHBondContact OG1-N 3.16Å; V292-R295 PolarHBondContact O-N 2.66Å; V292-G296 PolarHBondContact O-N 3.43Å
293	E	95.1	Very high	92.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-50.2	173.6	-68.5	173.9	170.2	0	0	111.1	L104 V106 V288 T289 R295 G296 L297 W311 T327	L104-E293 WeakPolarHBondContact CD1-OE1 3.45Å; V106-E293 WeakPolarHBondContact CG2-OE1 3.39Å; V288-E293 HydrophobicContact CG1-CG 3.57Å; T289-E293 PolarHBondContact O-N 2.97Å; T289-E293 VanDerWaalsContact O-N 3.11Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 2.78Å; E293-G296 PolarHBondContact O-N 3.28Å; E293-G296 VanDerWaalsContact O-N 3.11Å; E293-L297 PolarHBondContact O-N 3.29Å; E293-W311 HydrophobicContact CB-CH2 4.39Å; E293-W311 HydrophobicContact CG-CH2 3.9Å; E293-W311 HydrophobicContact CG-CZ3 4.27Å; E293-T327 HydrophobicContact CB-CG2 4.14Å; E293-T327 WeakPolarHBondContact CB-OG1 3.3Å; E293-T327 PolarHBondContact OE2-OG1 2.88Å; E293-T327 VanDerWaalsContact OE2-OG1 3.1Å
294	A	95.8	Very high	93.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.6	-43.8	177.6	0	0	0	0	0	112.2	L50 D290 S298 Y326 T327 S330	L50-A294 HydrophobicContact CD1-CB 3.78Å; D290-A294 WeakPolarHBondContact O-CB 3.31Å; D290-A294 PolarHBondContact O-N 2.76Å; A294-S298 WeakPolarHBondContact O-CB 3.38Å; A294-S298 PolarHBondContact O-N 3.44Å; A294-S298 VanDerWaalsContact O-N 3.1Å; A294-S298 PolarHBondContact O-OG 3.07Å; A294-Y326 VanDerWaalsContact CB-C 3.45Å; A294-T327 PolarHBondContact N-OG1 3.24Å; A294-S330 VanDerWaalsContact C-OG 3.28Å; A294-S330 VanDerWaalsContact CA-OG 3.24Å; A294-S330 WeakPolarHBondContact CA-OG 3.18Å; A294-S330 VanDerWaalsContact CB-OG 3.29Å; A294-S330 WeakPolarHBondContact CB-OG 3.4Å; A294-S330 WeakPolarHBondContact O-CB 3.4Å; A294-S330 PolarHBondContact O-OG 2.88Å
295	R	95.2	Very high	93.4	Very high	59 Å²	59	25.4 Å²	25.4	22%	0.223	13%	0.132	C	C	.	.	H	α-helix	trans	-67.4	-41.2	177.5	-169.6	-173.9	170.3	-174.3	-0.5	111.4	T47 L50 M228 F291 V292 E293 S298 Y299	T47-R295 PolarHBondContact O-NH1 2.04Å; L50-R295 HydrophobicContact CD2-CB 4.24Å; M228-R295 HydrophobicContact CE-CB 4.35Å; M228-R295 HydrophobicContact CE-CG 3.76Å; M228-R295 HydrophobicContact SD-CB 3.95Å; M228-R295 HydrophobicContact SD-CG 3.78Å; F291-R295 WeakPolarHBondContact O-CB 3.35Å; F291-R295 PolarHBondContact O-N 3.42Å; V292-R295 PolarHBondContact O-N 2.66Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 2.78Å; R295-S298 PolarHBondContact O-N 2.04Å; R295-Y299 WeakPolarHBondContact O-CB 3.18Å; R295-Y299 PolarHBondContact O-N 3.26Å
296	G	96.3	Very high	94	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-47.6	176.3	0	0	0	0	0	112.5	I281 V292 E293 S298 Y299	I281-G296 WeakPolarHBondContact CD1-O 3.41Å; V292-G296 PolarHBondContact O-N 3.43Å; E293-G296 PolarHBondContact O-N 3.28Å; E293-G296 VanDerWaalsContact O-N 3.11Å; G296-S298 VanDerWaalsContact C-N 3.31Å; G296-S298 PolarHBondContact O-N 2.9Å; G296-Y299 PolarHBondContact O-N 3.23Å
297	L	96.7	Very high	94.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-75.3	-16.9	-178	-70.1	162.6	0	0	0	113.9	L205 E293 T327 L331 Y346 F348	L205-L297 HydrophobicContact CD2-CD2 3.68Å; L205-L297 HydrophobicContact CD2-CG 3.77Å; E293-L297 PolarHBondContact O-N 3.29Å; L297-T327 HydrophobicContact CD1-CG2 3.72Å; L297-L331 HydrophobicContact CD1-CD2 4.05Å; L297-L331 HydrophobicContact CD1-CG 4.32Å; L297-L331 HydrophobicContact CD2-CD2 4.19Å; L297-Y346 HydrophobicContact CB-CE1 4.11Å; L297-Y346 HydrophobicContact CD2-CD1 3.64Å; L297-Y346 HydrophobicContact CD2-CE1 3.74Å; L297-Y346 VanDerWaalsContact O-CE1 3.32Å; L297-Y346 WeakPolarHBondContact O-CE1 3.45Å; L297-Y346 PolarHBondContact O-OH 3.29Å; L297-F348 HydrophobicContact CD2-CE2 4.19Å; L297-F348 HydrophobicContact CD2-CZ 4.21Å
298	S	96.6	Very high	95.5	Very high	14 Å²	14	20.2 Å²	20.2	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	-108.2	3	176.8	62.7	0	0	0	0	114	L50 Y52 A294 R295 G296 K300	L50-S298 WeakPolarHBondContact CD2-OG 3.39Å; Y52-S298 WeakPolarHBondContact OH-CB 3.35Å; Y52-S298 PolarHBondContact OH-OG 3.27Å; Y52-S298 VanDerWaalsContact OH-OG 3.08Å; A294-S298 WeakPolarHBondContact O-CB 3.38Å; A294-S298 PolarHBondContact O-N 3.44Å; A294-S298 VanDerWaalsContact O-N 3.1Å; A294-S298 PolarHBondContact O-OG 3.07Å; R295-S298 PolarHBondContact O-N 2.04Å; G296-S298 VanDerWaalsContact C-N 3.31Å; G296-S298 PolarHBondContact O-N 2.9Å; S298-K300 PolarHBondContact O-N 2.76Å
299	Y	96.5	Very high	95.9	Very high	49 Å²	49	19.9 Å²	19.9	19%	0.192	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	122.3	178.8	-174.3	-112.2	0	0	0	110.1	S225 V226 M228 I281 R295 G296 V301 I304 F307	S225-Y299 PolarHBondContact O-OH 3.29Å; V226-Y299 HydrophobicContact CB-CE1 4.07Å; V226-Y299 HydrophobicContact CB-CE2 4.07Å; V226-Y299 HydrophobicContact CG1-CD1 3.87Å; V226-Y299 HydrophobicContact CG1-CD2 3.92Å; V226-Y299 HydrophobicContact CG1-CE1 3.67Å; V226-Y299 HydrophobicContact CG1-CE2 3.75Å; V226-Y299 HydrophobicContact CG1-CG 3.99Å; M228-Y299 HydrophobicContact CE-CD2 4Å; M228-Y299 HydrophobicContact CE-CG 4.07Å; I281-Y299 HydrophobicContact CD1-CD1 3.79Å; I281-Y299 HydrophobicContact CD1-CG 4.19Å; I281-Y299 HydrophobicContact CG1-CD1 4.1Å; R295-Y299 WeakPolarHBondContact O-CB 3.18Å; R295-Y299 PolarHBondContact O-N 3.26Å; G296-Y299 PolarHBondContact O-N 3.23Å; Y299-V301 PolarHBondContact O-N 3.02Å; Y299-I304 HydrophobicContact CD1-CD1 4.17Å; Y299-I304 VanDerWaalsContact O-CD1 3.27Å; Y299-I304 WeakPolarHBondContact O-CD1 3.44Å; Y299-F307 WeakPolarHBondContact O-CZ 3.27Å
300	K	95.7	Very high	96.1	Very high	84 Å²	84	19.9 Å²	19.9	37%	0.365	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	38.4	171.3	-63.3	-69.4	-170.7	171.8	0	114.2	S298 E302 L303 I304	S298-K300 PolarHBondContact O-N 2.76Å; K300-E302 WeakPolarHBondContact CA-OE2 3.37Å; K300-E302 VanDerWaalsContact CD-OE1 3.25Å; K300-E302 WeakPolarHBondContact CD-OE1 3.27Å; K300-E302 PolarHBondContact O-N 3.47Å; K300-L303 HydrophobicContact CB-CB 4.5Å; K300-L303 HydrophobicContact CD-CD1 4.18Å; K300-L303 PolarHBondContact O-N 3.44Å; K300-I304 HydrophobicContact CB-CD1 4.17Å; K300-I304 HydrophobicContact CB-CG1 4.3Å; K300-I304 PolarHBondContact O-N 3.23Å
301	V	95.8	Very high	96.3	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.8	-177.2	-69.4	0	0	0	0	113.3	Y299 L303 F307 Y333 G338 R339	Y299-V301 PolarHBondContact O-N 3.02Å; V301-L303 VanDerWaalsContact C-N 3.31Å; V301-F307 HydrophobicContact CG1-CE2 4.19Å; V301-F307 HydrophobicContact CG1-CZ 3.91Å; V301-Y333 HydrophobicContact CG2-CD1 4.21Å; V301-Y333 HydrophobicContact CG2-CE1 3.59Å; V301-G338 CarbonylContact O-C 3.59Å; V301-G338 WeakPolarHBondContact O-CA 3.34Å; V301-R339 PolarHBondContact O-N 3.37Å
302	E	95.3	Very high	96.4	Very high	78 Å²	78	19.2 Å²	19.2	36%	0.364	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.7	174.2	72.9	-70.4	172.7	0	0	113.4	K300	K300-E302 WeakPolarHBondContact CA-OE2 3.37Å; K300-E302 VanDerWaalsContact CD-OE1 3.25Å; K300-E302 WeakPolarHBondContact CD-OE1 3.27Å; K300-E302 PolarHBondContact O-N 3.47Å
303	L	96.8	Very high	96.2	Very high	69 Å²	69	18.8 Å²	18.8	36%	0.361	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-41.7	-179.2	-58.4	-177.7	0	0	0	112.8	N201 I224 K300 V301	N201-L303 PolarHBondContact ND2-O 3.42Å; I224-L303 HydrophobicContact CG2-CB 4.07Å; I224-L303 HydrophobicContact CG2-CD1 4.46Å; K300-L303 HydrophobicContact CB-CB 4.5Å; K300-L303 HydrophobicContact CD-CD1 4.18Å; K300-L303 PolarHBondContact O-N 3.44Å; V301-L303 VanDerWaalsContact C-N 3.31Å
304	I	98.3	Very high	95.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.088	C	C	.	.			trans	-74.3	131.9	-175.8	-63.2	173.8	0	0	0	109.2	V203 I224 I281 Y299 K300 F307	V203-I304 HydrophobicContact CB-CD1 4.11Å; V203-I304 HydrophobicContact CB-CG2 4.07Å; V203-I304 HydrophobicContact CG1-CD1 4.4Å; V203-I304 HydrophobicContact CG2-CB 4.39Å; V203-I304 HydrophobicContact CG2-CD1 3.49Å; V203-I304 VanDerWaalsContact CG2-CD1 3.49Å; V203-I304 HydrophobicContact CG2-CG1 3.69Å; V203-I304 HydrophobicContact CG2-CG2 3.83Å; I224-I304 HydrophobicContact CB-CD1 4.34Å; I224-I304 HydrophobicContact CB-CG1 3.96Å; I224-I304 HydrophobicContact CG2-CG1 3.93Å; I281-I304 HydrophobicContact CD1-CD1 4.43Å; Y299-I304 HydrophobicContact CD1-CD1 4.17Å; Y299-I304 VanDerWaalsContact O-CD1 3.27Å; Y299-I304 WeakPolarHBondContact O-CD1 3.44Å; K300-I304 HydrophobicContact CB-CD1 4.17Å; K300-I304 HydrophobicContact CB-CG1 4.3Å; K300-I304 PolarHBondContact O-N 3.23Å; I304-F307 HydrophobicContact CB-CE1 4.44Å; I304-F307 HydrophobicContact CB-CE2 3.8Å; I304-F307 HydrophobicContact CB-CZ 3.72Å; I304-F307 HydrophobicContact CD1-CE1 3.75Å; I304-F307 HydrophobicContact CD1-CZ 3.72Å; I304-F307 HydrophobicContact CG1-CZ 4.32Å; I304-F307 HydrophobicContact CG2-CD1 4.32Å; I304-F307 HydrophobicContact CG2-CD2 3.74Å; I304-F307 HydrophobicContact CG2-CE1 4.07Å; I304-F307 HydrophobicContact CG2-CE2 3.44Å; I304-F307 VanDerWaalsContact CG2-CE2 3.44Å; I304-F307 HydrophobicContact CG2-CG 4.17Å; I304-F307 HydrophobicContact CG2-CZ 3.63Å
305	N	98.4	Very high	95.4	Very high	24 Å²	24	20 Å²	20	13%	0.128	10%	0.095	C	C	.	.			trans	-89.1	-47.6	176.3	-52.8	127.8	0	0	0	111.8	T200 N201 R339 I345 L461	T200-N305 WeakPolarHBondContact CA-OD1 3.16Å; N201-N305 PolarHBondContact N-OD1 2.9Å; N201-N305 WeakPolarHBondContact O-CB 3.37Å; N201-N305 PolarHBondContact O-N 3.18Å; N305-R339 HydrophobicContact CB-CG 4.45Å; N305-I345 PolarHBondContact O-N 3.02Å; N305-I345 VanDerWaalsContact O-N 3.09Å; N305-L461 HydrophobicContact CB-CD1 3.83Å
306	I	98.8	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.8	-169.9	-59.4	157.5	0	0	0	109.1	N201 V202 V203 I345 I347 A454 L457 A458 L461	N201-I306 PolarHBondContact O-N 2.59Å; N201-I306 VanDerWaalsContact O-N 3.17Å; V202-I306 WeakPolarHBondContact CA-O 3.38Å; V202-I306 HydrophobicContact CG2-CB 4.22Å; V202-I306 HydrophobicContact CG2-CD1 4Å; V203-I306 PolarHBondContact N-O 3.22Å; I306-I345 WeakPolarHBondContact CA-O 3.31Å; I306-I345 HydrophobicContact CG1-CB 4.2Å; I306-I345 HydrophobicContact CG1-CD1 3.87Å; I306-I347 HydrophobicContact CG2-CD1 3.6Å; I306-I347 HydrophobicContact CG2-CG1 4.33Å; I306-A454 WeakPolarHBondContact CD1-O 3.46Å; I306-A454 HydrophobicContact CG2-CB 3.89Å; I306-L457 HydrophobicContact CD1-CB 3.63Å; I306-L457 HydrophobicContact CG1-CB 4.4Å; I306-A458 HydrophobicContact CD1-CB 4.12Å; I306-L461 HydrophobicContact CD1-CD1 3.87Å; I306-L461 HydrophobicContact CG1-CD1 4.06Å
307	F	98.7	Very high	94.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.2	170.1	-67.3	-99.8	0	0	0	108.2	I281 Y299 V301 I304 I345 Y346 I347	I281-F307 HydrophobicContact CD1-CE1 4.26Å; Y299-F307 WeakPolarHBondContact O-CZ 3.27Å; V301-F307 HydrophobicContact CG1-CE2 4.19Å; V301-F307 HydrophobicContact CG1-CZ 3.91Å; I304-F307 HydrophobicContact CB-CE1 4.44Å; I304-F307 HydrophobicContact CB-CE2 3.8Å; I304-F307 HydrophobicContact CB-CZ 3.72Å; I304-F307 HydrophobicContact CD1-CE1 3.75Å; I304-F307 HydrophobicContact CD1-CZ 3.72Å; I304-F307 HydrophobicContact CG1-CZ 4.32Å; I304-F307 HydrophobicContact CG2-CD1 4.32Å; I304-F307 HydrophobicContact CG2-CD2 3.74Å; I304-F307 HydrophobicContact CG2-CE1 4.07Å; I304-F307 HydrophobicContact CG2-CE2 3.44Å; I304-F307 VanDerWaalsContact CG2-CE2 3.44Å; I304-F307 HydrophobicContact CG2-CG 4.17Å; I304-F307 HydrophobicContact CG2-CZ 3.63Å; F307-I345 PolarHBondContact N-O 3.41Å; F307-Y346 HydrophobicContact CB-CD1 3.6Å; F307-Y346 HydrophobicContact CB-CE1 3.94Å; F307-Y346 HydrophobicContact CD1-CE1 4.22Å; F307-Y346 AromaticContact CD2-CD1 3.95Å; F307-Y346 HydrophobicContact CD2-CD1 3.95Å; F307-Y346 AromaticContact CD2-CE1 3.53Å; F307-Y346 HydrophobicContact CD2-CE1 3.53Å; F307-Y346 HydrophobicContact CE2-CE1 4.05Å; F307-Y346 AromaticContact CG-CD1 3.85Å; F307-Y346 HydrophobicContact CG-CD1 3.85Å; F307-Y346 AromaticContact CG-CE1 3.64Å; F307-Y346 HydrophobicContact CG-CE1 3.64Å; F307-I347 PolarHBondContact O-N 2.92Å
308	C	98.6	Very high	94	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.6	177.8	-175.3	0	0	0	0	109.6	V203 L205 A454	V203-C308 PolarHBondContact O-N 2.99Å; L205-C308 PolarHBondContact N-O 2.91Å; C308-A454 HydrophobicContact CB-CB 4.21Å
309	S	98	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.1	-177.6	-63.8	0	0	0	0	111.1	I347 F348 A349	S309-I347 PolarHBondContact N-O 2.87Å; S309-F348 VanDerWaalsContact CB-CE1 3.5Å; S309-F348 VanDerWaalsContact O-CA 3.3Å; S309-F348 WeakPolarHBondContact O-CA 3.35Å; S309-A349 PolarHBondContact O-N 2.98Å
310	S	95.9	Very high	93.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	11%	0.105	C	C	.	.			trans	-113	38.8	-176.8	-66.3	0	0	0	0	111.6	R109 S447	R109-S310 PolarHBondContact N-O 3.25Å; S310-S447 WeakPolarHBondContact CB-OG 3.35Å
311	W	94.7	Very high	92.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.2	-175.3	56.6	-94.2	0	0	0	110.6	V106 E107 R109 L205 I283 L284 E293 F348 F365	V106-W311 HydrophobicContact CG1-CB 4.24Å; V106-W311 HydrophobicContact CG1-CD2 3.99Å; V106-W311 HydrophobicContact CG1-CE3 3.33Å; V106-W311 HydrophobicContact CG1-CG 4.39Å; V106-W311 HydrophobicContact CG1-CZ3 3.97Å; E107-W311 WeakPolarHBondContact O-CA 3.22Å; E107-W311 VanDerWaalsContact O-CB 3.28Å; E107-W311 WeakPolarHBondContact O-CB 3.14Å; R109-W311 PolarHBondContact NH1-O 2.94Å; L205-W311 HydrophobicContact CD2-CZ2 3.75Å; L205-W311 HydrophobicContact CG-CZ2 4.15Å; L205-W311 PolarHBondContact O-NE1 3.06Å; I283-W311 HydrophobicContact CD1-CH2 4.2Å; I283-W311 HydrophobicContact CD1-CZ2 3.62Å; L284-W311 HydrophobicContact CD1-CB 3.75Å; L284-W311 HydrophobicContact CD1-CG 3.73Å; L284-W311 HydrophobicContact CD2-CB 4.37Å; L284-W311 HydrophobicContact CD2-CD2 4.17Å; L284-W311 HydrophobicContact CD2-CG 4.03Å; L284-W311 HydrophobicContact CG-CG 4.44Å; E293-W311 HydrophobicContact CB-CH2 4.39Å; E293-W311 HydrophobicContact CG-CH2 3.9Å; E293-W311 HydrophobicContact CG-CZ3 4.27Å; W311-F348 HydrophobicContact CD2-CE1 4.49Å; W311-F348 HydrophobicContact CE3-CE1 4.45Å; W311-F348 HydrophobicContact CH2-CE1 4.31Å; W311-F348 HydrophobicContact CH2-CZ 4.39Å; W311-F348 HydrophobicContact CZ2-CE1 4.3Å; W311-F348 HydrophobicContact CZ2-CZ 4.3Å; W311-F348 HydrophobicContact CZ3-CE1 4.38Å; W311-F365 AromaticContact CH2-CE1 3.86Å; W311-F365 HydrophobicContact CH2-CE1 3.86Å; W311-F365 HydrophobicContact CH2-CZ 4.11Å; W311-F365 HydrophobicContact CZ3-CD1 4.44Å; W311-F365 AromaticContact CZ3-CE1 3.85Å; W311-F365 HydrophobicContact CZ3-CE1 3.85Å; W311-F365 HydrophobicContact CZ3-CE2 4.22Å; W311-F365 AromaticContact CZ3-CZ 3.73Å; W311-F365 HydrophobicContact CZ3-CZ 3.73Å
312	G	93.9	Very high	92.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-161.8	178.7	0	0	0	0	0	111.4	V106 E107	V106-G312 WeakPolarHBondContact CA-O 3.22Å; E107-G312 PolarHBondContact N-O 3.4Å; E107-G312 PolarHBondContact O-N 2.88Å
313	P	90	Very high	92.3	Very high	9 Å²	9	16.4 Å²	16.4	6%	0.058	9%	0.09	C	C	.	.	S	Bend	trans	-57.3	169	163.8	-18.8	33.8	0	0	0	111.5	D315 T319 D321 D363 F365	P313-D315 PolarHBondContact O-N 3.33Å; P313-T319 HydrophobicContact CB-CG2 3.96Å; P313-D321 HydrophobicContact CB-CB 4.07Å; P313-D321 HydrophobicContact CG-CB 3.86Å; P313-D363 WeakPolarHBondContact CD-OD2 3.48Å; P313-F365 HydrophobicContact CG-CD2 4.48Å
314	S	87.4	Confident	92	Very high	5 Å²	5	15.4 Å²	15.4	4%	0.035	8%	0.083	C	C	.	.			trans	-64.7	128.5	177.9	-55.3	0	0	0	0	111.7	N105 E107 D316 T319	N105-S314 PolarHBondContact ND2-OG 2.56Å; E107-S314 WeakPolarHBondContact OE1-CB 3.38Å; E107-S314 PolarHBondContact OE1-OG 3.07Å; S314-D316 PolarHBondContact O-N 2.65Å; S314-T319 WeakPolarHBondContact O-CB 3.36Å
315	D	86.5	Confident	91.5	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.134	10%	0.103	C	C	.	.			trans	-83.3	50.1	177.2	-63.2	-18.4	0	0	0	111.1	R109 P313 N352 G353 F356 D358	R109-D315 IonicContact NE-OD1 2.57Å; R109-D315 IonicContact NE-OD2 3.7Å; P313-D315 PolarHBondContact O-N 3.33Å; D315-N352 PolarHBondContact OD2-N 3.04Å; D315-G353 VanDerWaalsContact O-CA 3.3Å; D315-G353 WeakPolarHBondContact O-CA 3.45Å; D315-F356 VanDerWaalsContact O-CD2 3.29Å; D315-F356 WeakPolarHBondContact O-CD2 3.27Å; D315-D358 VanDerWaalsContact C-OD2 3.32Å; D315-D358 WeakPolarHBondContact CA-OD2 3.39Å
316	D	84.4	Confident	91.3	Very high	53 Å²	53	18.9 Å²	18.9	28%	0.283	10%	0.097	S	C	.	.	S	Bend	trans	-101.7	5.1	-169.3	68.3	-4.8	0	0	0	114.5	S314 I318 T319 D358	S314-D316 PolarHBondContact O-N 2.65Å; D316-I318 PolarHBondContact O-N 2.79Å; D316-I318 WeakPolarHBondContact OD1-CA 3.28Å; D316-I318 WeakPolarHBondContact OD1-CB 3.13Å; D316-I318 PolarHBondContact OD1-N 3.41Å; D316-T319 WeakPolarHBondContact OD1-CB 3.3Å; D316-T319 PolarHBondContact OD1-N 2.8Å; D316-T319 PolarHBondContact OD1-OG1 3.1Å; D316-T319 PolarHBondContact OD2-OG1 3.17Å; D316-D358 PolarHBondContact N-OD2 3.03Å
317	G	87.6	Confident	91	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	71	10.1	-175.7	0	0	0	0	0	113.7	D358 D658	G317-D358 VanDerWaalsContact CA-CG 3.42Å; G317-D358 WeakPolarHBondContact CA-OD2 3.5Å; G317-D358 PolarHBondContact N-OD2 3.3Å; G317-D658 WeakPolarHBondContact O-CB 3.31Å; G317-D658 PolarHBondContact O-N 2.9Å; G317-D658 VanDerWaalsContact O-N 3.14Å
318	I	86.1	Confident	90.8	Very high	34 Å²	34	23.2 Å²	23.2	17%	0.174	12%	0.116	C	C	.	.	S	Bend	trans	-127.8	-46.9	-172.5	-62.5	172.9	0	0	0	110.9	D316 L557 L657	D316-I318 PolarHBondContact O-N 2.79Å; D316-I318 WeakPolarHBondContact OD1-CA 3.28Å; D316-I318 WeakPolarHBondContact OD1-CB 3.13Å; D316-I318 PolarHBondContact OD1-N 3.41Å; I318-L557 HydrophobicContact CG2-CD1 3.07Å; I318-L657 HydrophobicContact CD1-CB 4.21Å; I318-L657 HydrophobicContact CG1-CB 3.63Å
319	T	86.9	Confident	90.5	Very high	43 Å²	43	26.2 Å²	26.2	26%	0.264	13%	0.132	S	C	.	.			trans	-71	144.5	-175.6	-58.6	0	0	0	0	109.7	P313 S314 D316 R655	P313-T319 HydrophobicContact CB-CG2 3.96Å; S314-T319 WeakPolarHBondContact O-CB 3.36Å; D316-T319 WeakPolarHBondContact OD1-CB 3.3Å; D316-T319 PolarHBondContact OD1-N 2.8Å; D316-T319 PolarHBondContact OD1-OG1 3.1Å; D316-T319 PolarHBondContact OD2-OG1 3.17Å; T319-R655 PolarHBondContact O-NH1 3.39Å
320	M	88.3	Confident	90.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.			trans	-148.9	116.9	174.8	168.5	179.2	-87.4	0	0	105	A362 Q546 W629 L652 M666	M320-A362 VanDerWaalsContact CA-O 3.27Å; M320-A362 WeakPolarHBondContact CA-O 3.37Å; M320-A362 HydrophobicContact CB-CB 4.11Å; M320-A362 HydrophobicContact CE-CB 3.75Å; M320-A362 HydrophobicContact CG-CB 4.21Å; M320-Q546 PolarHBondContact O-NE2 3.02Å; M320-Q546 PolarHBondContact O-OE1 3.25Å; M320-W629 HydrophobicContact CE-CH2 4.44Å; M320-W629 HydrophobicContact SD-CH2 3.83Å; M320-W629 HydrophobicContact SD-CZ2 3.87Å; M320-L652 HydrophobicContact CE-CD1 4.13Å; M320-L652 HydrophobicContact CE-CD2 4.14Å; M320-M666 HydrophobicContact CG-SD 4.16Å; M320-M666 HydrophobicContact SD-CB 4.39Å; M320-M666 HydrophobicContact SD-CG 4.46Å
321	D	88.9	Confident	90.4	Very high	30 Å²	30	26.2 Å²	26.2	16%	0.16	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-147	165.8	-175.2	-159.3	6.3	0	0	0	110.6	P313 H324 A362 G364	P313-D321 HydrophobicContact CB-CB 4.07Å; P313-D321 HydrophobicContact CG-CB 3.86Å; D321-H324 IonicContact OD1-NE2 2.76Å; D321-A362 PolarHBondContact N-O 3.32Å; D321-G364 VanDerWaalsContact O-CA 3.3Å; D321-G364 WeakPolarHBondContact O-CA 2.96Å; D321-G364 PolarHBondContact O-N 3.43Å
322	L	89	Confident	90.4	Very high	37 Å²	37	27.6 Å²	27.6	19%	0.194	14%	0.142	C	C	.	.			trans	-136.9	156.7	-179	59.3	78.6	0	0	0	113.6	H324 W542 M666	L322-H324 PolarHBondContact O-CD2 3.16Å; L322-H324 VanDerWaalsContact O-CD2 3.25Å; L322-H324 PolarHBondContact O-N 3.28Å; L322-W542 HydrophobicContact CD2-CH2 4.01Å; L322-W542 HydrophobicContact CD2-CZ2 3.63Å; L322-W542 HydrophobicContact CG-CH2 4.32Å; L322-W542 HydrophobicContact CG-CZ2 4.24Å; L322-M666 HydrophobicContact CB-SD 4.45Å; L322-M666 HydrophobicContact CD2-SD 4.41Å
323	P	91.2	Very high	90.4	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.078	16%	0.155	C	C	.	.			trans	-50.1	116.1	166.8	-30	36	0	0	0	110.4	T327 K328 L331 G364 F365	P323-T327 HydrophobicContact CB-CG2 3.81Å; P323-K328 HydrophobicContact CB-CB 4.28Å; P323-L331 HydrophobicContact CG-CD1 4.4Å; P323-G364 WeakPolarHBondContact CD-O 3.1Å; P323-F365 HydrophobicContact CB-CE1 4.45Å; P323-F365 HydrophobicContact CG-CD1 3.82Å; P323-F365 HydrophobicContact CG-CD2 4.17Å; P323-F365 HydrophobicContact CG-CE1 3.96Å; P323-F365 HydrophobicContact CG-CE2 4.29Å; P323-F365 HydrophobicContact CG-CG 3.94Å; P323-F365 HydrophobicContact CG-CZ 4.18Å
324	H	89.8	Confident	90.7	Very high	48 Å²	48	30.7 Å²	30.7	22%	0.222	15%	0.153	C	C	.	.			trans	-68.7	178.6	176.1	-74.6	176.2	0	0	0	111	D290 D321 L322 Y326 T327 K328	D290-H324 HydrophobicContact CB-CB 3.82Å; D290-H324 VanDerWaalsContact OD1-CB 3.31Å; D290-H324 WeakPolarHBondContact OD1-CB 3.39Å; D290-H324 WeakPolarHBondContact OD2-CB 3.44Å; D321-H324 IonicContact OD1-NE2 2.76Å; L322-H324 PolarHBondContact O-CD2 3.16Å; L322-H324 VanDerWaalsContact O-CD2 3.25Å; L322-H324 PolarHBondContact O-N 3.28Å; H324-Y326 PolarHBondContact O-N 3.29Å; H324-T327 PolarHBondContact O-N 3.16Å; H324-K328 VanDerWaalsContact O-CB 3.29Å; H324-K328 WeakPolarHBondContact O-CB 3.46Å; H324-K328 PolarHBondContact O-N 3.4Å
325	K	88.7	Confident	91.1	Very high	93 Å²	93	30.5 Å²	30.5	40%	0.404	15%	0.151	S	C	.	.	H	α-helix	trans	-47.6	-55.5	-169.6	179.2	-174.4	170.5	-172.1	0	112	E27 D329	E27-K325 IonicContact OE1-NZ 2.84Å; E27-K325 PolarHBondContact OE1-NZ 3.15Å; E27-K325 IonicContact OE2-NZ 3.44Å; E27-K325 PolarHBondContact OE2-NZ 3.14Å; K325-D329 WeakPolarHBondContact O-CB 3.22Å; K325-D329 PolarHBondContact O-N 2.86Å
326	Y	93	Very high	91.4	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-70.5	-42.7	-172.8	-56.8	-57.4	0	0	0	111.5	A25 E27 V55 L101 D290 F291 A294 H324 K328 D329 S330	A25-Y326 HydrophobicContact CB-CE2 3.59Å; A25-Y326 VanDerWaalsContact CB-OH 3.29Å; A25-Y326 WeakPolarHBondContact CB-OH 3.02Å; E27-Y326 PolarHBondContact OE1-OH 2.94Å; E27-Y326 VanDerWaalsContact OE1-OH 3.1Å; V55-Y326 HydrophobicContact CB-CE1 4.41Å; V55-Y326 HydrophobicContact CG1-CE1 3.85Å; V55-Y326 HydrophobicContact CG2-CD1 4.49Å; V55-Y326 HydrophobicContact CG2-CE1 3.95Å; L101-Y326 HydrophobicContact CD2-CD2 4.39Å; L101-Y326 HydrophobicContact CD2-CE2 4.06Å; D290-Y326 PolarHBondContact OD1-N 3.43Å; D290-Y326 WeakPolarHBondContact OD2-CD2 3.32Å; D290-Y326 PolarHBondContact OD2-N 2.91Å; F291-Y326 HydrophobicContact CD2-CD2 4.33Å; A294-Y326 VanDerWaalsContact CB-C 3.45Å; H324-Y326 PolarHBondContact O-N 3.29Å; Y326-K328 PolarHBondContact O-N 3Å; Y326-D329 PolarHBondContact O-N 3.4Å; Y326-S330 WeakPolarHBondContact O-CB 3.18Å; Y326-S330 PolarHBondContact O-N 3.47Å; Y326-S330 PolarHBondContact O-OG 2.89Å
327	T	94.4	Very high	91.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-44.5	177.6	-63.9	0	0	0	0	111.7	D290 E293 A294 L297 P323 H324 S330 L331 F365	D290-T327 PolarHBondContact O-OG1 3.29Å; D290-T327 WeakPolarHBondContact OD1-CB 3.07Å; D290-T327 PolarHBondContact OD1-N 2.89Å; D290-T327 PolarHBondContact OD1-OG1 2.89Å; E293-T327 HydrophobicContact CB-CG2 4.14Å; E293-T327 WeakPolarHBondContact CB-OG1 3.3Å; E293-T327 PolarHBondContact OE2-OG1 2.88Å; E293-T327 VanDerWaalsContact OE2-OG1 3.1Å; A294-T327 PolarHBondContact N-OG1 3.24Å; L297-T327 HydrophobicContact CD1-CG2 3.72Å; P323-T327 HydrophobicContact CB-CG2 3.81Å; H324-T327 PolarHBondContact O-N 3.16Å; T327-S330 WeakPolarHBondContact O-CB 3.37Å; T327-S330 PolarHBondContact O-N 3.17Å; T327-L331 WeakPolarHBondContact O-CG 3.24Å; T327-L331 PolarHBondContact O-N 2.82Å; T327-F365 HydrophobicContact CG2-CE1 3.65Å; T327-F365 HydrophobicContact CG2-CZ 4.09Å
328	K	92.9	Very high	92.3	Very high	90 Å²	90	32.7 Å²	32.7	39%	0.391	16%	0.161	S	C	.	.	H	α-helix	trans	-59.9	-48.6	175.8	-178.6	-179.1	177.6	179	0	111.3	P323 H324 Y326 S330 L331 S332	P323-K328 HydrophobicContact CB-CB 4.28Å; H324-K328 VanDerWaalsContact O-CB 3.29Å; H324-K328 WeakPolarHBondContact O-CB 3.46Å; H324-K328 PolarHBondContact O-N 3.4Å; Y326-K328 PolarHBondContact O-N 3Å; K328-S330 VanDerWaalsContact C-N 3.28Å; K328-S330 PolarHBondContact O-N 3.12Å; K328-L331 PolarHBondContact O-N 3.25Å; K328-S332 PolarHBondContact O-N 3.48Å; K328-S332 VanDerWaalsContact O-N 3.14Å; K328-S332 PolarHBondContact O-OG 3.38Å
329	D	93.1	Very high	92.8	Very high	64 Å²	64	31.7 Å²	31.7	34%	0.342	16%	0.155	S	C	.	.	H	α-helix	trans	-64.9	-33.4	179.9	-67.5	-15	0	0	0	111.4	K325 Y326 Y333	K325-D329 WeakPolarHBondContact O-CB 3.22Å; K325-D329 PolarHBondContact O-N 2.86Å; Y326-D329 PolarHBondContact O-N 3.4Å; D329-Y333 VanDerWaalsContact O-CB 3.29Å; D329-Y333 WeakPolarHBondContact O-CB 3.16Å; D329-Y333 PolarHBondContact O-N 3.26Å
330	S	95.8	Very high	93.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-43.8	173	-73.7	0	0	0	0	113.1	Y52 A294 Y326 T327 K328 Y333 G334	Y52-S330 WeakPolarHBondContact OH-CA 3.28Å; Y52-S330 PolarHBondContact OH-OG 3.45Å; A294-S330 VanDerWaalsContact C-OG 3.28Å; A294-S330 VanDerWaalsContact CA-OG 3.24Å; A294-S330 WeakPolarHBondContact CA-OG 3.18Å; A294-S330 VanDerWaalsContact CB-OG 3.29Å; A294-S330 WeakPolarHBondContact CB-OG 3.4Å; A294-S330 WeakPolarHBondContact O-CB 3.4Å; A294-S330 PolarHBondContact O-OG 2.88Å; Y326-S330 WeakPolarHBondContact O-CB 3.18Å; Y326-S330 PolarHBondContact O-N 3.47Å; Y326-S330 PolarHBondContact O-OG 2.89Å; T327-S330 WeakPolarHBondContact O-CB 3.37Å; T327-S330 PolarHBondContact O-N 3.17Å; K328-S330 VanDerWaalsContact C-N 3.28Å; K328-S330 PolarHBondContact O-N 3.12Å; S330-Y333 PolarHBondContact O-N 3.43Å; S330-G334 PolarHBondContact O-N 3.09Å
331	L	95.9	Very high	93.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-49.3	177	-71.8	171.1	0	0	0	110.3	L297 P323 T327 K328 Y333 G334 L335 Y346 D370 V371	L297-L331 HydrophobicContact CD1-CD2 4.05Å; L297-L331 HydrophobicContact CD1-CG 4.32Å; L297-L331 HydrophobicContact CD2-CD2 4.19Å; P323-L331 HydrophobicContact CG-CD1 4.4Å; T327-L331 WeakPolarHBondContact O-CG 3.24Å; T327-L331 PolarHBondContact O-N 2.82Å; K328-L331 PolarHBondContact O-N 3.25Å; L331-Y333 VanDerWaalsContact C-N 3.33Å; L331-Y333 PolarHBondContact O-N 3.43Å; L331-G334 PolarHBondContact O-N 2.91Å; L331-G334 VanDerWaalsContact O-N 3.12Å; L331-L335 WeakPolarHBondContact O-CD1 3.18Å; L331-L335 PolarHBondContact O-N 2.76Å; L331-Y346 HydrophobicContact CD2-CD1 3.84Å; L331-Y346 HydrophobicContact CD2-CD2 3.71Å; L331-Y346 HydrophobicContact CD2-CE1 4.08Å; L331-Y346 HydrophobicContact CD2-CE2 3.93Å; L331-Y346 HydrophobicContact CD2-CG 3.67Å; L331-D370 HydrophobicContact CB-CB 4.24Å; L331-V371 HydrophobicContact CD1-CG2 4.33Å; L331-V371 HydrophobicContact CD2-CG2 4.17Å
332	S	94	Very high	93.7	Very high	29 Å²	29	36.6 Å²	36.6	20%	0.203	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-37.7	177.9	-61.4	0	0	0	0	112.4	K328 L335 A336 D370 Y603	K328-S332 PolarHBondContact O-N 3.48Å; K328-S332 VanDerWaalsContact O-N 3.14Å; K328-S332 PolarHBondContact O-OG 3.38Å; S332-L335 PolarHBondContact O-N 3.11Å; S332-A336 WeakPolarHBondContact O-CB 3.42Å; S332-A336 PolarHBondContact O-N 3.49Å; S332-D370 PolarHBondContact OG-OD2 3.22Å; S332-Y603 VanDerWaalsContact CB-OH 3.3Å; S332-Y603 WeakPolarHBondContact CB-OH 3.14Å; S332-Y603 PolarHBondContact OG-OH 2.98Å
333	Y	95.1	Very high	94.1	Very high	74 Å²	74	34.9 Å²	34.9	29%	0.29	17%	0.171	S	C	.	.	H	α-helix	trans	-61.9	-43.3	172.2	175.4	-101.8	0	0	0	112	Y52 V301 D329 S330 L331 A336 K337	Y52-Y333 HydrophobicContact CD1-CD1 4.28Å; Y52-Y333 AromaticContact CD1-CE1 3.99Å; Y52-Y333 HydrophobicContact CD1-CE1 3.99Å; Y52-Y333 AromaticContact CD2-CD1 3.96Å; Y52-Y333 HydrophobicContact CD2-CD1 3.96Å; Y52-Y333 AromaticContact CD2-CD2 3.46Å; Y52-Y333 HydrophobicContact CD2-CD2 3.46Å; Y52-Y333 VanDerWaalsContact CD2-CD2 3.46Å; Y52-Y333 HydrophobicContact CD2-CE1 4.25Å; Y52-Y333 AromaticContact CD2-CE2 3.78Å; Y52-Y333 HydrophobicContact CD2-CE2 3.78Å; Y52-Y333 AromaticContact CD2-CG 3.56Å; Y52-Y333 HydrophobicContact CD2-CG 3.56Å; Y52-Y333 HydrophobicContact CE1-CD1 4.12Å; Y52-Y333 HydrophobicContact CE1-CE1 4.16Å; Y52-Y333 AromaticContact CE2-CD1 3.75Å; Y52-Y333 HydrophobicContact CE2-CD1 3.75Å; Y52-Y333 AromaticContact CE2-CD2 3.9Å; Y52-Y333 HydrophobicContact CE2-CD2 3.9Å; Y52-Y333 HydrophobicContact CE2-CE1 4.38Å; Y52-Y333 AromaticContact CE2-CG 3.48Å; Y52-Y333 HydrophobicContact CE2-CG 3.48Å; Y52-Y333 VanDerWaalsContact CE2-CG 3.48Å; Y52-Y333 HydrophobicContact CG-CD1 4.23Å; Y52-Y333 AromaticContact CG-CD2 3.98Å; Y52-Y333 HydrophobicContact CG-CD2 3.98Å; Y52-Y333 HydrophobicContact CG-CE1 4.05Å; Y52-Y333 AromaticContact CG-CE2 3.79Å; Y52-Y333 HydrophobicContact CG-CE2 3.79Å; Y52-Y333 HydrophobicContact CG-CG 4.19Å; Y52-Y333 AromaticContact CG-CZ 3.85Å; Y52-Y333 AromaticContact CZ-CD1 3.85Å; V301-Y333 HydrophobicContact CG2-CD1 4.21Å; V301-Y333 HydrophobicContact CG2-CE1 3.59Å; D329-Y333 VanDerWaalsContact O-CB 3.29Å; D329-Y333 WeakPolarHBondContact O-CB 3.16Å; D329-Y333 PolarHBondContact O-N 3.26Å; S330-Y333 PolarHBondContact O-N 3.43Å; L331-Y333 VanDerWaalsContact C-N 3.33Å; L331-Y333 PolarHBondContact O-N 3.43Å; Y333-A336 PolarHBondContact O-N 3.28Å; Y333-K337 HydrophobicContact CD2-CB 4.37Å; Y333-K337 HydrophobicContact CD2-CG 3.9Å; Y333-K337 HydrophobicContact CE2-CB 3.98Å; Y333-K337 HydrophobicContact CE2-CG 3.61Å; Y333-K337 WeakPolarHBondContact O-CB 3.2Å; Y333-K337 PolarHBondContact O-N 2.77Å
334	G	96.3	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-45.4	175.9	0	0	0	0	0	113.3	S330 L331 A336 G338 G343 S344 Y346	S330-G334 PolarHBondContact O-N 3.09Å; L331-G334 PolarHBondContact O-N 2.91Å; L331-G334 VanDerWaalsContact O-N 3.12Å; G334-A336 VanDerWaalsContact C-N 3.31Å; G334-A336 PolarHBondContact O-N 2.94Å; G334-G338 VanDerWaalsContact O-CA 3.25Å; G334-G338 WeakPolarHBondContact O-CA 3.24Å; G334-G338 PolarHBondContact O-N 3.36Å; G334-G343 WeakPolarHBondContact O-CA 3.27Å; G334-S344 PolarHBondContact O-N 2.9Å; G334-S344 PolarHBondContact O-OG 3.31Å; G334-Y346 WeakPolarHBondContact CA-OH 3.01Å
335	L	94.7	Very high	94.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-37.1	175.1	-94	64.5	0	0	0	112.4	L331 S332 G343 Y346 D370 W469 Y603	L331-L335 WeakPolarHBondContact O-CD1 3.18Å; L331-L335 PolarHBondContact O-N 2.76Å; S332-L335 PolarHBondContact O-N 3.11Å; L335-G343 WeakPolarHBondContact O-CA 3.18Å; L335-Y346 HydrophobicContact CD1-CD2 3.62Å; L335-Y346 HydrophobicContact CD1-CE2 3.7Å; L335-D370 HydrophobicContact CD1-CB 3.91Å; L335-D370 WeakPolarHBondContact CD1-O 3.44Å; L335-D370 HydrophobicContact CD2-CB 3.6Å; L335-D370 HydrophobicContact CG-CB 4.39Å; L335-W469 HydrophobicContact CD2-CD2 4Å; L335-W469 HydrophobicContact CD2-CE3 4.17Å; L335-W469 HydrophobicContact CD2-CH2 3.93Å; L335-W469 HydrophobicContact CD2-CZ2 3.74Å; L335-W469 HydrophobicContact CD2-CZ3 4.14Å; L335-W469 HydrophobicContact CG-CD2 3.93Å; L335-W469 HydrophobicContact CG-CE3 4.47Å; L335-W469 HydrophobicContact CG-CG 4.18Å; L335-W469 HydrophobicContact CG-CZ2 4.31Å; L335-Y603 HydrophobicContact CB-CD1 4.46Å; L335-Y603 HydrophobicContact CB-CD2 4.44Å; L335-Y603 HydrophobicContact CB-CE1 4.47Å; L335-Y603 HydrophobicContact CB-CE2 4.43Å; L335-Y603 HydrophobicContact CB-CG 4.44Å; L335-Y603 HydrophobicContact CD2-CD2 4.35Å; L335-Y603 HydrophobicContact CD2-CE2 4.1Å
336	A	93.6	Very high	95.2	Very high	19 Å²	19	27.9 Å²	27.9	16%	0.157	14%	0.139	C	C	.	.	H	α-helix	trans	-77.6	-35.8	-177.4	0	0	0	0	0	113.8	S332 Y333 G334 Y603	S332-A336 WeakPolarHBondContact O-CB 3.42Å; S332-A336 PolarHBondContact O-N 3.49Å; Y333-A336 PolarHBondContact O-N 3.28Å; G334-A336 VanDerWaalsContact C-N 3.31Å; G334-A336 PolarHBondContact O-N 2.94Å; A336-Y603 HydrophobicContact CB-CD1 3.72Å; A336-Y603 HydrophobicContact CB-CE1 4.07Å
337	K	93.6	Very high	95.5	Very high	104 Å²	104	27.6 Å²	27.6	45%	0.452	14%	0.138	S	C	.	.	H	α-helix	trans	-124.8	-20.6	-166.7	-58.3	-59.4	178.3	-170.5	0	114.5	Y333 G341 L605	Y333-K337 HydrophobicContact CD2-CB 4.37Å; Y333-K337 HydrophobicContact CD2-CG 3.9Å; Y333-K337 HydrophobicContact CE2-CB 3.98Å; Y333-K337 HydrophobicContact CE2-CG 3.61Å; Y333-K337 WeakPolarHBondContact O-CB 3.2Å; Y333-K337 PolarHBondContact O-N 2.77Å; K337-G341 PolarHBondContact O-N 3.11Å; K337-L605 HydrophobicContact CD-CD2 4.24Å
338	G	96.4	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-58.6	153.5	-179.4	0	0	0	0	0	112.2	V301 G334 N340 G341 L342 G343	V301-G338 CarbonylContact O-C 3.59Å; V301-G338 WeakPolarHBondContact O-CA 3.34Å; G334-G338 VanDerWaalsContact O-CA 3.25Å; G334-G338 WeakPolarHBondContact O-CA 3.24Å; G334-G338 PolarHBondContact O-N 3.36Å; G338-N340 PolarHBondContact O-N 3.1Å; G338-N340 VanDerWaalsContact O-N 3.17Å; G338-G341 PolarHBondContact O-N 2.73Å; G338-L342 PolarHBondContact O-N 2.82Å; G338-G343 VanDerWaalsContact O-CA 3.28Å; G338-G343 WeakPolarHBondContact O-CA 3.44Å; G338-G343 PolarHBondContact O-N 3.33Å
339	R	96.8	Very high	95.9	Very high	14 Å²	14	23.3 Å²	23.3	5%	0.053	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	48	44.7	-178.2	-60.2	173.6	59.8	-140	-7.4	112.5	V301 N305 G341 L342 G343 L461 P465 L467	V301-R339 PolarHBondContact O-N 3.37Å; N305-R339 HydrophobicContact CB-CG 4.45Å; R339-G341 VanDerWaalsContact C-N 3.27Å; R339-G341 PolarHBondContact O-N 3.09Å; R339-L342 HydrophobicContact CB-CB 3.98Å; R339-L342 WeakPolarHBondContact O-CB 3.13Å; R339-L342 PolarHBondContact O-N 2.81Å; R339-G343 WeakPolarHBondContact CD-O 3.28Å; R339-L461 VanDerWaalsContact NH2-CD2 3.31Å; R339-P465 PolarHBondContact NH2-O 3.4Å; R339-P465 VanDerWaalsContact NH2-O 3.12Å; R339-L467 PolarHBondContact NH1-O 3.37Å; R339-L467 PolarHBondContact NH2-O 3.35Å
340	N	93.5	Very high	96	Very high	143 Å²	143	20.3 Å²	20.3	77%	0.765	10%	0.103	S	C	*	.	G	3₁₀ helix	trans	55.6	36.4	-177.6	-55.7	-47	0	0	0	114.2	G338	G338-N340 PolarHBondContact O-N 3.1Å; G338-N340 VanDerWaalsContact O-N 3.17Å
341	G	93.7	Very high	95.8	Very high	5 Å²	5	20.3 Å²	20.3	5%	0.052	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	97.3	-6.9	178.5	0	0	0	0	0	115.5	K337 G338 R339 G343	K337-G341 PolarHBondContact O-N 3.11Å; G338-G341 PolarHBondContact O-N 2.73Å; R339-G341 VanDerWaalsContact C-N 3.27Å; R339-G341 PolarHBondContact O-N 3.09Å; G341-G343 PolarHBondContact O-N 2.93Å
342	L	96.1	Very high	95.4	Very high	29 Å²	29	21 Å²	21	15%	0.152	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.2	169.5	-60.2	177.7	0	0	0	112.5	G338 R339 P465 T468 W469 A606	G338-L342 PolarHBondContact O-N 2.82Å; R339-L342 HydrophobicContact CB-CB 3.98Å; R339-L342 WeakPolarHBondContact O-CB 3.13Å; R339-L342 PolarHBondContact O-N 2.81Å; L342-P465 WeakPolarHBondContact CD1-O 3.49Å; L342-T468 HydrophobicContact CD2-CG2 4Å; L342-T468 CarbonylContact O-C 3.58Å; L342-T468 WeakPolarHBondContact O-CA 3.34Å; L342-T468 WeakPolarHBondContact O-CB 3.44Å; L342-W469 PolarHBondContact O-N 2.79Å; L342-A606 HydrophobicContact CD2-CB 3.91Å
343	G	96.7	Very high	95.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.			trans	81.9	137.6	178.3	0	0	0	0	0	114.1	G334 L335 G338 R339 G341	G334-G343 WeakPolarHBondContact O-CA 3.27Å; L335-G343 WeakPolarHBondContact O-CA 3.18Å; G338-G343 VanDerWaalsContact O-CA 3.28Å; G338-G343 WeakPolarHBondContact O-CA 3.44Å; G338-G343 PolarHBondContact O-N 3.33Å; R339-G343 WeakPolarHBondContact CD-O 3.28Å; G341-G343 PolarHBondContact O-N 2.93Å
344	S	97.4	Very high	94.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	9%	0.094	C	C	.	.			trans	-59.8	145.6	173	-63.8	0	0	0	0	110.9	G334	G334-S344 PolarHBondContact O-N 2.9Å; G334-S344 PolarHBondContact O-OG 3.31Å
345	I	98.6	Very high	94.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.2	174.5	-58.4	148.6	0	0	0	108.4	N305 I306 F307 I347 I372 L457 L461 W469 I472	N305-I345 PolarHBondContact O-N 3.02Å; N305-I345 VanDerWaalsContact O-N 3.09Å; I306-I345 WeakPolarHBondContact CA-O 3.31Å; I306-I345 HydrophobicContact CG1-CB 4.2Å; I306-I345 HydrophobicContact CG1-CD1 3.87Å; F307-I345 PolarHBondContact N-O 3.41Å; I345-I347 HydrophobicContact CG2-CG1 4.41Å; I345-I372 HydrophobicContact CG2-CD1 3.93Å; I345-L457 HydrophobicContact CG2-CD1 3.56Å; I345-L461 HydrophobicContact CD1-CD1 3.73Å; I345-L461 HydrophobicContact CD1-CD2 4.41Å; I345-L461 HydrophobicContact CD1-CG 4.45Å; I345-W469 HydrophobicContact CG1-CB 4.2Å; I345-I472 HydrophobicContact CD1-CD1 3.2Å; I345-I472 HydrophobicContact CG1-CD1 3.76Å
346	Y	98.6	Very high	93.8	Very high	3 Å²	3	26 Å²	26	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.5	177.7	-62.8	-73.9	0	0	0	110	L297 F307 L331 G334 L335 I372	L297-Y346 HydrophobicContact CB-CE1 4.11Å; L297-Y346 HydrophobicContact CD2-CD1 3.64Å; L297-Y346 HydrophobicContact CD2-CE1 3.74Å; L297-Y346 VanDerWaalsContact O-CE1 3.32Å; L297-Y346 WeakPolarHBondContact O-CE1 3.45Å; L297-Y346 PolarHBondContact O-OH 3.29Å; F307-Y346 HydrophobicContact CB-CD1 3.6Å; F307-Y346 HydrophobicContact CB-CE1 3.94Å; F307-Y346 HydrophobicContact CD1-CE1 4.22Å; F307-Y346 AromaticContact CD2-CD1 3.95Å; F307-Y346 HydrophobicContact CD2-CD1 3.95Å; F307-Y346 AromaticContact CD2-CE1 3.53Å; F307-Y346 HydrophobicContact CD2-CE1 3.53Å; F307-Y346 HydrophobicContact CE2-CE1 4.05Å; F307-Y346 AromaticContact CG-CD1 3.85Å; F307-Y346 HydrophobicContact CG-CD1 3.85Å; F307-Y346 AromaticContact CG-CE1 3.64Å; F307-Y346 HydrophobicContact CG-CE1 3.64Å; L331-Y346 HydrophobicContact CD2-CD1 3.84Å; L331-Y346 HydrophobicContact CD2-CD2 3.71Å; L331-Y346 HydrophobicContact CD2-CE1 4.08Å; L331-Y346 HydrophobicContact CD2-CE2 3.93Å; L331-Y346 HydrophobicContact CD2-CG 3.67Å; G334-Y346 WeakPolarHBondContact CA-OH 3.01Å; L335-Y346 HydrophobicContact CD1-CD2 3.62Å; L335-Y346 HydrophobicContact CD1-CE2 3.7Å; Y346-I372 PolarHBondContact O-N 3.09Å
347	I	98.6	Very high	93.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.9	173.9	-66.9	167.4	0	0	0	108.3	I306 F307 S309 I345 I372 V374 A450 F453 A454 L457	I306-I347 HydrophobicContact CG2-CD1 3.6Å; I306-I347 HydrophobicContact CG2-CG1 4.33Å; F307-I347 PolarHBondContact O-N 2.92Å; S309-I347 PolarHBondContact N-O 2.87Å; I345-I347 HydrophobicContact CG2-CG1 4.41Å; I347-I372 WeakPolarHBondContact CA-O 3.49Å; I347-V374 HydrophobicContact CG2-CB 4.47Å; I347-V374 HydrophobicContact CG2-CG2 3.66Å; I347-A450 HydrophobicContact CG2-CB 3.83Å; I347-F453 HydrophobicContact CD1-CD1 3.66Å; I347-F453 HydrophobicContact CD1-CE1 4.08Å; I347-F453 HydrophobicContact CG1-CD1 4.05Å; I347-F453 HydrophobicContact CG1-CE1 4.23Å; I347-F453 HydrophobicContact CG2-CD1 4.46Å; I347-A454 VanDerWaalsContact CD1-CA 3.4Å; I347-A454 HydrophobicContact CD1-CB 3.59Å; I347-L457 HydrophobicContact CD1-CD1 3.9Å; I347-L457 HydrophobicContact CG1-CD1 4.41Å
348	F	98.1	Very high	93.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.9	166.7	-81.4	-110.6	0	0	0	109.8	L297 S309 W311 F365 V371 I372 A373 V374	L297-F348 HydrophobicContact CD2-CE2 4.19Å; L297-F348 HydrophobicContact CD2-CZ 4.21Å; S309-F348 VanDerWaalsContact CB-CE1 3.5Å; S309-F348 VanDerWaalsContact O-CA 3.3Å; S309-F348 WeakPolarHBondContact O-CA 3.35Å; W311-F348 HydrophobicContact CD2-CE1 4.49Å; W311-F348 HydrophobicContact CE3-CE1 4.45Å; W311-F348 HydrophobicContact CH2-CE1 4.31Å; W311-F348 HydrophobicContact CH2-CZ 4.39Å; W311-F348 HydrophobicContact CZ2-CE1 4.3Å; W311-F348 HydrophobicContact CZ2-CZ 4.3Å; W311-F348 HydrophobicContact CZ3-CE1 4.38Å; F348-F365 HydrophobicContact CD1-CB 3.72Å; F348-F365 HydrophobicContact CD1-CD1 4.33Å; F348-F365 HydrophobicContact CD1-CG 4.29Å; F348-F365 HydrophobicContact CE1-CB 3.74Å; F348-F365 AromaticContact CE1-CD1 3.48Å; F348-F365 HydrophobicContact CE1-CD1 3.48Å; F348-F365 VanDerWaalsContact CE1-CD1 3.48Å; F348-F365 HydrophobicContact CE1-CE1 4.29Å; F348-F365 AromaticContact CE1-CG 3.81Å; F348-F365 HydrophobicContact CE1-CG 3.81Å; F348-F365 HydrophobicContact CE2-CD1 4.45Å; F348-F365 HydrophobicContact CG-CB 4.32Å; F348-F365 HydrophobicContact CZ-CB 4.36Å; F348-F365 AromaticContact CZ-CD1 3.56Å; F348-F365 HydrophobicContact CZ-CD1 3.56Å; F348-F365 HydrophobicContact CZ-CE1 4.25Å; F348-F365 HydrophobicContact CZ-CG 4.31Å; F348-V371 HydrophobicContact CB-CG1 3.7Å; F348-V371 HydrophobicContact CD2-CB 4.41Å; F348-V371 HydrophobicContact CD2-CG1 3.48Å; F348-V371 VanDerWaalsContact CD2-CG1 3.48Å; F348-V371 HydrophobicContact CD2-CG2 3.96Å; F348-V371 HydrophobicContact CE2-CG1 4.46Å; F348-V371 HydrophobicContact CE2-CG2 4.16Å; F348-V371 HydrophobicContact CG-CG1 3.9Å; F348-I372 PolarHBondContact N-O 2.93Å; F348-A373 CarbonylContact O-C 3.54Å; F348-A373 WeakPolarHBondContact O-CA 3.19Å; F348-V374 PolarHBondContact O-N 2.98Å
349	A	96.7	Very high	93.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	154.6	161	0	0	0	0	0	109.9	R109 S309 V366 V374 A450	R109-A349 VanDerWaalsContact NH1-CB 3.27Å; R109-A349 PolarHBondContact NH1-O 2.87Å; R109-A349 PolarHBondContact NH2-O 2.84Å; R109-A349 VanDerWaalsContact NH2-O 3.16Å; S309-A349 PolarHBondContact O-N 2.98Å; A349-V366 WeakPolarHBondContact O-CG2 3Å; A349-V374 CarbonylContact C-O 3.58Å; A349-A450 HydrophobicContact CB-CB 4.07Å
350	S	95.2	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.			trans	-88.1	-14.9	-173.4	65.8	0	0	0	0	115.6	C360 V374 S375 T446	S350-C360 WeakPolarHBondContact O-CB 3.31Å; S350-V374 PolarHBondContact N-O 2.75Å; S350-V374 PolarHBondContact OG-O 3.4Å; S350-S375 WeakPolarHBondContact OG-CA 3.13Å; S350-S375 WeakPolarHBondContact OG-CB 3.46Å; S350-T446 WeakPolarHBondContact OG-CG2 3.12Å
351	G	91.4	Very high	93.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.089	C	C	.	.			trans	124.8	153	-172.3	0	0	0	0	0	113.3	E388 T446	G351-E388 VanDerWaalsContact C-OE1 3.23Å; G351-E388 WeakPolarHBondContact CA-OE1 3.41Å; G351-T446 WeakPolarHBondContact O-CG2 3.21Å; G351-T446 PolarHBondContact O-OG1 3.14Å
352	N	89.2	Confident	93.5	Very high	16 Å²	16	14.8 Å²	14.8	9%	0.086	9%	0.088	C	C	.	.	S	Bend	trans	-126.6	20.3	175.8	-68.6	-20.1	0	0	0	113.6	R109 D315 Y386 E388 T446	R109-N352 PolarHBondContact O-ND2 3.43Å; D315-N352 PolarHBondContact OD2-N 3.04Å; N352-Y386 CarbonylContact C-O 3.48Å; N352-Y386 WeakPolarHBondContact CA-O 3.4Å; N352-Y386 HydrophobicContact CB-CD2 4.35Å; N352-Y386 WeakPolarHBondContact O-CB 3.13Å; N352-Y386 WeakPolarHBondContact OD1-CD2 3.35Å; N352-E388 PolarHBondContact N-OE1 3.3Å; N352-T446 PolarHBondContact OD1-N 2.98Å; N352-T446 PolarHBondContact OD1-OG1 3.25Å
353	G	88.4	Confident	93.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.082	C	C	.	.			trans	-88.3	6.9	-174.2	0	0	0	0	0	115.5	D315 L355 F356 G357 D358 Y386 E388	D315-G353 VanDerWaalsContact O-CA 3.3Å; D315-G353 WeakPolarHBondContact O-CA 3.45Å; G353-L355 PolarHBondContact O-N 3.21Å; G353-L355 VanDerWaalsContact O-N 3.09Å; G353-F356 WeakPolarHBondContact O-CA 3.47Å; G353-F356 WeakPolarHBondContact O-CB 3.4Å; G353-F356 PolarHBondContact O-N 3.07Å; G353-G357 PolarHBondContact O-N 2.98Å; G353-D358 WeakPolarHBondContact O-CB 3.29Å; G353-D358 PolarHBondContact O-N 2.88Å; G353-Y386 PolarHBondContact N-O 3.21Å; G353-E388 VanDerWaalsContact CA-OE1 3.31Å; G353-E388 WeakPolarHBondContact CA-OE1 3.41Å; G353-E388 PolarHBondContact N-OE1 2.76Å
354	G	88.2	Confident	93.2	Very high	22 Å²	22	13.9 Å²	13.9	23%	0.227	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-53.2	-35	-175.7	0	0	0	0	0	114.6	F356 G357 M385 Y386 S387	G354-F356 PolarHBondContact O-N 2.99Å; G354-G357 PolarHBondContact O-N 2.91Å; G354-M385 CarbonylContact C-O 3.52Å; G354-Y386 PolarHBondContact N-O 3.17Å; G354-S387 WeakPolarHBondContact CA-O 3.3Å
355	L	83.5	Confident	93.1	Very high	77 Å²	77	14.1 Å²	14.1	40%	0.403	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-66.5	-24.9	176.8	-64.8	-179.7	0	0	0	114.1	G353 G357 M385 L405	G353-L355 PolarHBondContact O-N 3.21Å; G353-L355 VanDerWaalsContact O-N 3.09Å; L355-G357 VanDerWaalsContact C-N 3.29Å; L355-M385 HydrophobicContact CD1-CE 3.88Å; L355-M385 HydrophobicContact CD2-CB 3.83Å; L355-M385 HydrophobicContact CD2-CE 3.79Å; L355-M385 HydrophobicContact CD2-CG 4.1Å; L355-M385 WeakPolarHBondContact CD2-O 3.44Å; L355-M385 HydrophobicContact CG-CE 4.33Å; L355-M385 HydrophobicContact CG-CG 4.47Å; L355-M385 PolarHBondContact N-O 3.02Å; L355-L405 HydrophobicContact CD1-CD1 4.41Å; L355-L405 HydrophobicContact CD1-CD2 4.05Å; L355-L405 HydrophobicContact CD1-CG 4.24Å; L355-L405 HydrophobicContact CD2-CD1 3.61Å; L355-L405 HydrophobicContact CD2-CD2 4.33Å; L355-L405 HydrophobicContact CD2-CG 3.6Å
356	F	85.4	Confident	92.9	Very high	110 Å²	110	14.1 Å²	14.1	48%	0.482	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-92.1	3	176.8	-56.1	-66.8	0	0	0	111.6	D315 G353 G354 D358 L657	D315-F356 VanDerWaalsContact O-CD2 3.29Å; D315-F356 WeakPolarHBondContact O-CD2 3.27Å; G353-F356 WeakPolarHBondContact O-CA 3.47Å; G353-F356 WeakPolarHBondContact O-CB 3.4Å; G353-F356 PolarHBondContact O-N 3.07Å; G354-F356 PolarHBondContact O-N 2.99Å; F356-D358 VanDerWaalsContact C-N 3.3Å; F356-L657 HydrophobicContact CB-CD1 3.97Å; F356-L657 HydrophobicContact CD1-CD1 4.29Å
357	G	87.8	Confident	92.6	Very high	35 Å²	35	14 Å²	14	36%	0.361	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	33.8	-174.2	0	0	0	0	0	112	G353 G354 L355	G353-G357 PolarHBondContact O-N 2.98Å; G354-G357 PolarHBondContact O-N 2.91Å; L355-G357 VanDerWaalsContact C-N 3.29Å
358	D	92.4	Very high	92.3	Very high	9 Å²	9	14.6 Å²	14.6	5%	0.048	9%	0.089	C	C	.	.			trans	-77.4	166.7	178.5	-145.5	-11.2	0	0	0	112.6	D315 D316 G317 G353 F356 E388 P389 R655	D315-D358 VanDerWaalsContact C-OD2 3.32Å; D315-D358 WeakPolarHBondContact CA-OD2 3.39Å; D316-D358 PolarHBondContact N-OD2 3.03Å; G317-D358 VanDerWaalsContact CA-CG 3.42Å; G317-D358 WeakPolarHBondContact CA-OD2 3.5Å; G317-D358 PolarHBondContact N-OD2 3.3Å; G353-D358 WeakPolarHBondContact O-CB 3.29Å; G353-D358 PolarHBondContact O-N 2.88Å; F356-D358 VanDerWaalsContact C-N 3.3Å; D358-E388 HydrophobicContact CB-CG 4.13Å; D358-P389 WeakPolarHBondContact O-CD 3.34Å; D358-R655 VanDerWaalsContact OD1-CD 3.23Å; D358-R655 WeakPolarHBondContact OD1-CD 3.47Å
359	S	95.5	Very high	91.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	10%	0.096	C	C	.	.			trans	-136.8	129.7	177.6	176.5	0	0	0	0	110	G361 A362 E388 P389 G653	S359-G361 PolarHBondContact O-N 2.69Å; S359-G361 PolarHBondContact OG-N 3.26Å; S359-A362 VanDerWaalsContact O-CB 3.28Å; S359-A362 WeakPolarHBondContact O-CB 3.3Å; S359-A362 PolarHBondContact O-N 2.86Å; S359-E388 VanDerWaalsContact C-OE2 3.32Å; S359-P389 PolarHBondContact OG-O 3.26Å; S359-G653 PolarHBondContact OG-N 3.29Å
360	C	95.6	Very high	91.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-66	-10	179.5	56	0	0	0	0	113.6	S350 A362 D363 V366 E388 C390	S350-C360 WeakPolarHBondContact O-CB 3.31Å; C360-A362 PolarHBondContact O-N 2.88Å; C360-D363 PolarHBondContact O-N 3.17Å; C360-V366 HydrophobicContact CB-CB 4.48Å; C360-V366 HydrophobicContact CB-CG1 3.74Å; C360-E388 VanDerWaalsContact CA-OE2 3.31Å; C360-E388 WeakPolarHBondContact CA-OE2 3.43Å; C360-E388 HydrophobicContact CB-CB 3.98Å; C360-E388 PolarHBondContact N-OE2 2.92Å; C360-E388 VanDerWaalsContact N-OE2 3.09Å; C360-E388 PolarHBondContact SG-O 3.1Å; C360-C390 VanDerWaalsContact C-SG 3.52Å; C360-C390 HydrophobicContact CB-CB 4.17Å; C360-C390 WeakPolarHBondContact CB-SG 3.32Å; C360-C390 WeakPolarHBondContact SG-CB 3.3Å; C360-C390 PolarHBondContact SG-N 3.07Å; C360-C390 CovalentContact SG-SG 2.04Å; C360-C390 PolarHBondContact SG-SG 3.38Å
361	G	95.4	Very high	91.8	Very high	2 Å²	2	16.4 Å²	16.4	2%	0.021	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-68.5	-19	167.9	0	0	0	0	0	113.1	S359 D363 C390 M666 F668	S359-G361 PolarHBondContact O-N 2.69Å; S359-G361 PolarHBondContact OG-N 3.26Å; G361-D363 VanDerWaalsContact C-N 3.34Å; G361-C390 VanDerWaalsContact N-CB 3.34Å; G361-M666 VanDerWaalsContact O-CE 3.3Å; G361-M666 WeakPolarHBondContact O-CE 3.45Å; G361-F668 VanDerWaalsContact O-CD1 3.3Å; G361-F668 WeakPolarHBondContact O-CD1 3.44Å; G361-F668 WeakPolarHBondContact O-CE1 3.45Å
362	A	94.4	Very high	92.2	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.033	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-84.3	-8.5	173.3	0	0	0	0	0	113.3	M320 D321 S359 C360 L652 M666	M320-A362 VanDerWaalsContact CA-O 3.27Å; M320-A362 WeakPolarHBondContact CA-O 3.37Å; M320-A362 HydrophobicContact CB-CB 4.11Å; M320-A362 HydrophobicContact CE-CB 3.75Å; M320-A362 HydrophobicContact CG-CB 4.21Å; D321-A362 PolarHBondContact N-O 3.32Å; S359-A362 VanDerWaalsContact O-CB 3.28Å; S359-A362 WeakPolarHBondContact O-CB 3.3Å; S359-A362 PolarHBondContact O-N 2.86Å; C360-A362 PolarHBondContact O-N 2.88Å; A362-L652 HydrophobicContact CB-CD1 4.32Å; A362-M666 WeakPolarHBondContact O-CE 3.4Å
363	D	94.5	Very high	92.6	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.032	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-97	112.5	173.4	-178.5	-28.3	0	0	0	109.9	R109 P313 C360 G361 F365 V366 S367	R109-D363 IonicContact CZ-OD2 3.19Å; R109-D363 IonicContact NH2-OD2 2.88Å; R109-D363 PolarHBondContact NH2-OD2 3.25Å; P313-D363 WeakPolarHBondContact CD-OD2 3.48Å; C360-D363 PolarHBondContact O-N 3.17Å; G361-D363 VanDerWaalsContact C-N 3.34Å; D363-F365 VanDerWaalsContact C-N 3.29Å; D363-F365 PolarHBondContact O-N 3.39Å; D363-F365 WeakPolarHBondContact OD1-CA 3.3Å; D363-F365 WeakPolarHBondContact OD1-CB 3.27Å; D363-F365 PolarHBondContact OD1-N 2.99Å; D363-V366 HydrophobicContact CB-CB 4.06Å; D363-V366 HydrophobicContact CB-CG2 4.13Å; D363-V366 PolarHBondContact O-N 3.44Å; D363-V366 PolarHBondContact OD1-N 3.01Å; D363-V366 VanDerWaalsContact OD1-N 3.15Å; D363-S367 WeakPolarHBondContact O-CB 3.25Å; D363-S367 PolarHBondContact O-N 3.13Å; D363-S367 PolarHBondContact O-OG 3.37Å
364	G	92.4	Very high	93	Very high	4 Å²	4	16.1 Å²	16.1	4%	0.041	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.3	-178	0	0	0	0	0	114.9	D321 P323 S367 S368	D321-G364 VanDerWaalsContact O-CA 3.3Å; D321-G364 WeakPolarHBondContact O-CA 2.96Å; D321-G364 PolarHBondContact O-N 3.43Å; P323-G364 WeakPolarHBondContact CD-O 3.1Å; G364-S367 VanDerWaalsContact CA-OG 3.26Å; G364-S367 WeakPolarHBondContact CA-OG 3.38Å; G364-S368 WeakPolarHBondContact O-CA 3.22Å; G364-S368 VanDerWaalsContact O-CB 3.3Å; G364-S368 WeakPolarHBondContact O-CB 3.31Å; G364-S368 PolarHBondContact O-N 2.8Å
365	F	94.4	Very high	93.4	Very high	6 Å²	6	15 Å²	15	3%	0.026	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-43.1	171.3	-69.3	-93.7	0	0	0	110.1	W311 P313 P323 T327 F348 D363 S368 V371	W311-F365 AromaticContact CH2-CE1 3.86Å; W311-F365 HydrophobicContact CH2-CE1 3.86Å; W311-F365 HydrophobicContact CH2-CZ 4.11Å; W311-F365 HydrophobicContact CZ3-CD1 4.44Å; W311-F365 AromaticContact CZ3-CE1 3.85Å; W311-F365 HydrophobicContact CZ3-CE1 3.85Å; W311-F365 HydrophobicContact CZ3-CE2 4.22Å; W311-F365 AromaticContact CZ3-CZ 3.73Å; W311-F365 HydrophobicContact CZ3-CZ 3.73Å; P313-F365 HydrophobicContact CG-CD2 4.48Å; P323-F365 HydrophobicContact CB-CE1 4.45Å; P323-F365 HydrophobicContact CG-CD1 3.82Å; P323-F365 HydrophobicContact CG-CD2 4.17Å; P323-F365 HydrophobicContact CG-CE1 3.96Å; P323-F365 HydrophobicContact CG-CE2 4.29Å; P323-F365 HydrophobicContact CG-CG 3.94Å; P323-F365 HydrophobicContact CG-CZ 4.18Å; T327-F365 HydrophobicContact CG2-CE1 3.65Å; T327-F365 HydrophobicContact CG2-CZ 4.09Å; F348-F365 HydrophobicContact CD1-CB 3.72Å; F348-F365 HydrophobicContact CD1-CD1 4.33Å; F348-F365 HydrophobicContact CD1-CG 4.29Å; F348-F365 HydrophobicContact CE1-CB 3.74Å; F348-F365 AromaticContact CE1-CD1 3.48Å; F348-F365 HydrophobicContact CE1-CD1 3.48Å; F348-F365 VanDerWaalsContact CE1-CD1 3.48Å; F348-F365 HydrophobicContact CE1-CE1 4.29Å; F348-F365 AromaticContact CE1-CG 3.81Å; F348-F365 HydrophobicContact CE1-CG 3.81Å; F348-F365 HydrophobicContact CE2-CD1 4.45Å; F348-F365 HydrophobicContact CG-CB 4.32Å; F348-F365 HydrophobicContact CZ-CB 4.36Å; F348-F365 AromaticContact CZ-CD1 3.56Å; F348-F365 HydrophobicContact CZ-CD1 3.56Å; F348-F365 HydrophobicContact CZ-CE1 4.25Å; F348-F365 HydrophobicContact CZ-CG 4.31Å; D363-F365 VanDerWaalsContact C-N 3.29Å; D363-F365 PolarHBondContact O-N 3.39Å; D363-F365 WeakPolarHBondContact OD1-CA 3.3Å; D363-F365 WeakPolarHBondContact OD1-CB 3.27Å; D363-F365 PolarHBondContact OD1-N 2.99Å; F365-S368 WeakPolarHBondContact O-CB 3.34Å; F365-S368 PolarHBondContact O-N 3.42Å; F365-V371 WeakPolarHBondContact O-CB 3.5Å
366	V	94.9	Very high	93.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-44.2	176.5	170.1	0	0	0	0	111.4	R109 A349 C360 D363 S368 A373 A392	R109-V366 VanDerWaalsContact NH2-CG2 3.32Å; A349-V366 WeakPolarHBondContact O-CG2 3Å; C360-V366 HydrophobicContact CB-CB 4.48Å; C360-V366 HydrophobicContact CB-CG1 3.74Å; D363-V366 HydrophobicContact CB-CB 4.06Å; D363-V366 HydrophobicContact CB-CG2 4.13Å; D363-V366 PolarHBondContact O-N 3.44Å; D363-V366 PolarHBondContact OD1-N 3.01Å; D363-V366 VanDerWaalsContact OD1-N 3.15Å; V366-S368 PolarHBondContact O-N 2.61Å; V366-A373 HydrophobicContact CB-CB 4.44Å; V366-A373 HydrophobicContact CG1-CB 3.62Å; V366-A392 HydrophobicContact CG1-CB 4.3Å; V366-A392 WeakPolarHBondContact O-CB 3.25Å
367	S	92	Very high	94.3	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.014	5%	0.045	C	C	.	.	S	Bend	trans	-81.1	2	175.3	60.6	0	0	0	0	113.5	D363 G364 I667 T669	D363-S367 WeakPolarHBondContact O-CB 3.25Å; D363-S367 PolarHBondContact O-N 3.13Å; D363-S367 PolarHBondContact O-OG 3.37Å; G364-S367 VanDerWaalsContact CA-OG 3.26Å; G364-S367 WeakPolarHBondContact CA-OG 3.38Å; S367-I667 PolarHBondContact OG-O 3.42Å; S367-I667 VanDerWaalsContact OG-O 3.1Å; S367-T669 WeakPolarHBondContact O-CB 3.38Å; S367-T669 PolarHBondContact O-OG1 3.23Å
368	S	93.6	Very high	94.3	Very high	12 Å²	12	4.5 Å²	4.5	8%	0.084	3%	0.028	C	C	.	.			trans	-60.7	131.6	172.5	179.7	0	0	0	0	109.5	G364 F365 V366 D370 V371	G364-S368 WeakPolarHBondContact O-CA 3.22Å; G364-S368 VanDerWaalsContact O-CB 3.3Å; G364-S368 WeakPolarHBondContact O-CB 3.31Å; G364-S368 PolarHBondContact O-N 2.8Å; F365-S368 WeakPolarHBondContact O-CB 3.34Å; F365-S368 PolarHBondContact O-N 3.42Å; V366-S368 PolarHBondContact O-N 2.61Å; S368-D370 PolarHBondContact O-N 3.48Å; S368-D370 VanDerWaalsContact O-N 3.1Å; S368-D370 PolarHBondContact OG-N 2.91Å; S368-V371 PolarHBondContact O-N 2.82Å
369	P	88.9	Confident	93.9	Very high	21 Å²	21	4.5 Å²	4.5	14%	0.136	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.5	-180	30.9	-37.7	0	0	0	113	Q622 I624 R718	P369-Q622 VanDerWaalsContact CA-NE2 3.25Å; P369-Q622 VanDerWaalsContact CB-OE1 3.26Å; P369-Q622 PolarHBondContact O-NE2 3.14Å; P369-Q622 PolarHBondContact O-OE1 3.2Å; P369-I624 HydrophobicContact CB-CD1 3.42Å; P369-I624 VanDerWaalsContact CB-CD1 3.42Å; P369-I624 HydrophobicContact CB-CG1 3.82Å; P369-I624 HydrophobicContact CG-CD1 3.93Å; P369-R718 PolarHBondContact O-NH1 2.79Å
370	D	93.9	Very high	93.6	Very high	11 Å²	11	5.9 Å²	5.9	6%	0.059	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9	-172.5	-61.3	-12.8	0	0	0	112.3	L331 S332 L335 S368 R718	L331-D370 HydrophobicContact CB-CB 4.24Å; S332-D370 PolarHBondContact OG-OD2 3.22Å; L335-D370 HydrophobicContact CD1-CB 3.91Å; L335-D370 WeakPolarHBondContact CD1-O 3.44Å; L335-D370 HydrophobicContact CD2-CB 3.6Å; L335-D370 HydrophobicContact CG-CB 4.39Å; S368-D370 PolarHBondContact O-N 3.48Å; S368-D370 VanDerWaalsContact O-N 3.1Å; S368-D370 PolarHBondContact OG-N 2.91Å; D370-R718 IonicContact OD1-CZ 3.63Å; D370-R718 IonicContact OD1-NH1 3.45Å; D370-R718 PolarHBondContact OD1-NH1 3.03Å; D370-R718 IonicContact OD1-NH2 3.85Å; D370-R718 PolarHBondContact OD1-NH2 2.88Å
371	V	96.7	Very high	93.5	Very high	6 Å²	6	5.9 Å²	5.9	4%	0.036	4%	0.035	C	C	.	.			trans	-124.7	149.7	-174.9	169.2	0	0	0	0	111.8	L331 F348 F365 S368	L331-V371 HydrophobicContact CD1-CG2 4.33Å; L331-V371 HydrophobicContact CD2-CG2 4.17Å; F348-V371 HydrophobicContact CB-CG1 3.7Å; F348-V371 HydrophobicContact CD2-CB 4.41Å; F348-V371 HydrophobicContact CD2-CG1 3.48Å; F348-V371 VanDerWaalsContact CD2-CG1 3.48Å; F348-V371 HydrophobicContact CD2-CG2 3.96Å; F348-V371 HydrophobicContact CE2-CG1 4.46Å; F348-V371 HydrophobicContact CE2-CG2 4.16Å; F348-V371 HydrophobicContact CG-CG1 3.9Å; F365-V371 WeakPolarHBondContact O-CB 3.5Å; S368-V371 PolarHBondContact O-N 2.82Å
372	I	98.3	Very high	93.3	Very high	9 Å²	9	8.1 Å²	8.1	5%	0.046	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.4	168	-60.2	176.8	0	0	0	108.5	I345 Y346 I347 F348 V374 R394 F453 L457 I472 L476	I345-I372 HydrophobicContact CG2-CD1 3.93Å; Y346-I372 PolarHBondContact O-N 3.09Å; I347-I372 WeakPolarHBondContact CA-O 3.49Å; F348-I372 PolarHBondContact N-O 2.93Å; I372-V374 HydrophobicContact CG2-CG2 4.28Å; I372-R394 HydrophobicContact CB-CG 4.38Å; I372-R394 HydrophobicContact CG2-CB 3.83Å; I372-R394 HydrophobicContact CG2-CG 3.82Å; I372-F453 HydrophobicContact CG2-CD1 4.45Å; I372-F453 HydrophobicContact CG2-CE1 3.66Å; I372-F453 HydrophobicContact CG2-CZ 4.27Å; I372-L457 HydrophobicContact CD1-CD1 4.4Å; I372-I472 HydrophobicContact CD1-CG2 3.96Å; I372-L476 HydrophobicContact CD1-CD1 4.43Å; I372-L476 HydrophobicContact CG2-CD1 4.12Å
373	A	97.9	Very high	93.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.7	174.7	0	0	0	0	0	111.5	F348 V366 R394	F348-A373 CarbonylContact O-C 3.54Å; F348-A373 WeakPolarHBondContact O-CA 3.19Å; V366-A373 HydrophobicContact CB-CB 4.44Å; V366-A373 HydrophobicContact CG1-CB 3.62Å; A373-R394 PolarHBondContact O-N 2.76Å
374	V	98.3	Very high	92.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.8	-175.2	-177.8	0	0	0	0	110.5	I347 F348 A349 S350 I372 V395 V397 A449 F453	I347-V374 HydrophobicContact CG2-CB 4.47Å; I347-V374 HydrophobicContact CG2-CG2 3.66Å; F348-V374 PolarHBondContact O-N 2.98Å; A349-V374 CarbonylContact C-O 3.58Å; S350-V374 PolarHBondContact N-O 2.75Å; S350-V374 PolarHBondContact OG-O 3.4Å; I372-V374 HydrophobicContact CG2-CG2 4.28Å; V374-V395 WeakPolarHBondContact CA-O 3.33Å; V374-V395 HydrophobicContact CG1-CG2 4.37Å; V374-V395 HydrophobicContact CG2-CG2 4.09Å; V374-V397 HydrophobicContact CG1-CG2 3.85Å; V374-A449 HydrophobicContact CG1-CB 3.94Å; V374-F453 HydrophobicContact CG1-CB 4.01Å; V374-F453 HydrophobicContact CG1-CG 4.45Å; V374-F453 HydrophobicContact CG2-CB 4.11Å; V374-F453 HydrophobicContact CG2-CD1 3.44Å; V374-F453 VanDerWaalsContact CG2-CD1 3.44Å; V374-F453 HydrophobicContact CG2-CE1 4.12Å; V374-F453 HydrophobicContact CG2-CG 3.93Å
375	S	96.8	Very high	92.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	174.2	177.4	77.4	0	0	0	0	113.1	S350 V395 S396 V397 A449 Y502	S350-S375 WeakPolarHBondContact OG-CA 3.13Å; S350-S375 WeakPolarHBondContact OG-CB 3.46Å; S375-V395 PolarHBondContact N-O 3.39Å; S375-S396 CarbonylContact O-C 3.55Å; S375-S396 VanDerWaalsContact O-CA 3.32Å; S375-S396 WeakPolarHBondContact O-CA 3.01Å; S375-S396 VanDerWaalsContact OG-CB 3.3Å; S375-S396 WeakPolarHBondContact OG-CB 3.48Å; S375-V397 PolarHBondContact O-N 3.16Å; S375-A449 VanDerWaalsContact O-CB 3.25Å; S375-A449 WeakPolarHBondContact O-CB 2.96Å; S375-Y502 VanDerWaalsContact CB-O 3.22Å; S375-Y502 WeakPolarHBondContact CB-O 3.45Å; S375-Y502 PolarHBondContact OG-O 3.33Å
376	A	93.3	Very high	91.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.4	-177	0	0	0	0	0	110.3	Y386 S387 V399 T446 A449	A376-Y386 HydrophobicContact CB-CE2 4.16Å; A376-S387 PolarHBondContact O-OG 3.36Å; A376-V399 HydrophobicContact CB-CG2 3.54Å; A376-T446 HydrophobicContact CB-CG2 4.05Å; A376-A449 HydrophobicContact CB-CB 4.19Å
377	I	92.9	Very high	91.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.9	170.5	63.2	-179.3	0	0	0	111.3	L183 Q382 V397 P398 V399 G400 P483 I503 T507	L183-I377 HydrophobicContact CD1-CD1 4.17Å; I377-Q382 WeakPolarHBondContact CA-O 3.36Å; I377-Q382 VanDerWaalsContact CB-O 3.27Å; I377-Q382 WeakPolarHBondContact CB-O 3.41Å; I377-V397 PolarHBondContact N-O 3.06Å; I377-V397 VanDerWaalsContact N-O 3.07Å; I377-P398 HydrophobicContact CD1-CB 4.42Å; I377-P398 HydrophobicContact CG1-CB 4.04Å; I377-V399 PolarHBondContact O-N 2.97Å; I377-G400 PolarHBondContact O-N 3.37Å; I377-G400 VanDerWaalsContact O-N 3.13Å; I377-P483 HydrophobicContact CD1-CB 3.46Å; I377-P483 VanDerWaalsContact CD1-CB 3.46Å; I377-P483 HydrophobicContact CD1-CG 3.63Å; I377-I503 HydrophobicContact CG2-CD1 4.11Å; I377-I503 HydrophobicContact CG2-CG1 3.83Å; I377-I503 HydrophobicContact CG2-CG2 4.23Å; I377-T507 WeakPolarHBondContact CD1-OG1 3.49Å
378	D	87.8	Confident	91.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.			trans	-78	-169	-177.5	75	5.3	0	0	0	113.7	L380 G381 Q382 T384 P403	D378-L380 PolarHBondContact O-N 3.08Å; D378-L380 WeakPolarHBondContact OD1-CA 3.5Å; D378-L380 PolarHBondContact OD1-N 3.35Å; D378-G381 PolarHBondContact O-N 3.23Å; D378-G381 PolarHBondContact OD1-N 3.48Å; D378-Q382 PolarHBondContact N-O 2.69Å; D378-Q382 PolarHBondContact OD1-N 3.22Å; D378-T384 HydrophobicContact CB-CG2 4.26Å; D378-P403 WeakPolarHBondContact OD2-CD 3.3Å
379	N	85.2	Confident	91.8	Very high	9 Å²	9	13.2 Å²	13.2	5%	0.048	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2	179.5	69.4	-43.1	0	0	0	114.1	W168 V177 S178 F428	W168-N379 HydrophobicContact CH2-CB 4.07Å; W168-N379 HydrophobicContact CZ2-CB 3.93Å; V177-N379 PolarHBondContact O-ND2 2.92Å; S178-N379 VanDerWaalsContact CB-O 3.27Å; S178-N379 WeakPolarHBondContact CB-O 3.28Å; S178-N379 PolarHBondContact OG-O 3Å; N379-F428 HydrophobicContact CB-CD1 4.31Å
380	L	89.2	Confident	92.2	Very high	30 Å²	30	12.2 Å²	12.2	16%	0.157	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-0.7	172.5	-64.1	178.6	0	0	0	112.1	L130 M134 P179 D378 Q382 N484	L130-L380 HydrophobicContact CD2-CD2 4.5Å; M134-L380 HydrophobicContact CE-CB 4.39Å; M134-L380 HydrophobicContact CE-CD2 4.49Å; M134-L380 HydrophobicContact SD-CD2 4.46Å; P179-L380 HydrophobicContact CG-CD2 3.67Å; D378-L380 PolarHBondContact O-N 3.08Å; D378-L380 WeakPolarHBondContact OD1-CA 3.5Å; D378-L380 PolarHBondContact OD1-N 3.35Å; L380-Q382 HydrophobicContact CB-CG 4.38Å; L380-N484 PolarHBondContact O-ND2 2.88Å
381	G	92.3	Very high	92.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	82.7	17.9	179.9	0	0	0	0	0	113.3	L183 D378 P483 N484	L183-G381 VanDerWaalsContact CD2-N 3.28Å; D378-G381 PolarHBondContact O-N 3.23Å; D378-G381 PolarHBondContact OD1-N 3.48Å; G381-P483 VanDerWaalsContact O-CG 3.27Å; G381-P483 WeakPolarHBondContact O-CG 3.17Å; G381-N484 WeakPolarHBondContact O-CB 3.31Å
382	Q	91.7	Very high	92.4	Very high	50 Å²	50	11.6 Å²	11.6	23%	0.234	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-94.2	161.4	176.9	-58	-177.2	-50.6	0	0	110.6	I377 D378 L380 N484	I377-Q382 WeakPolarHBondContact CA-O 3.36Å; I377-Q382 VanDerWaalsContact CB-O 3.27Å; I377-Q382 WeakPolarHBondContact CB-O 3.41Å; D378-Q382 PolarHBondContact N-O 2.69Å; D378-Q382 PolarHBondContact OD1-N 3.22Å; L380-Q382 HydrophobicContact CB-CG 4.38Å; Q382-N484 VanDerWaalsContact CG-ND2 3.28Å; Q382-N484 WeakPolarHBondContact CG-ND2 3.28Å
383	K	90	Very high	92.4	Very high	77 Å²	77	11.2 Å²	11.2	34%	0.335	5%	0.054	S	C	.	.	B	Isolated β-bridge	trans	-57.2	143.6	168.1	72.6	-177.6	-178.1	-175.8	0	110.4	Y502	K383-Y502 HydrophobicContact CB-CD1 4.39Å; K383-Y502 HydrophobicContact CB-CG 4.09Å; K383-Y502 HydrophobicContact CD-CD1 3.83Å; K383-Y502 HydrophobicContact CD-CD2 3.6Å; K383-Y502 HydrophobicContact CD-CE1 3.92Å; K383-Y502 HydrophobicContact CD-CE2 3.72Å; K383-Y502 HydrophobicContact CD-CG 3.64Å; K383-Y502 PolarHBondContact NZ-OH 3.03Å
384	T	85.8	Confident	92.4	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.025	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-83.3	159.7	174.7	64.9	0	0	0	0	111	D378 Y386 S387	D378-T384 HydrophobicContact CB-CG2 4.26Å; T384-Y386 HydrophobicContact CG2-CE1 4.14Å; T384-Y386 HydrophobicContact CG2-CE2 4.12Å; T384-Y386 PolarHBondContact O-N 2.65Å; T384-Y386 VanDerWaalsContact O-N 3.08Å; T384-Y386 WeakPolarHBondContact OG1-CD2 3.34Å; T384-Y386 WeakPolarHBondContact OG1-CE2 3.29Å; T384-Y386 VanDerWaalsContact OG1-CZ 3.28Å; T384-S387 PolarHBondContact N-OG 3.42Å; T384-S387 VanDerWaalsContact N-OG 3.16Å; T384-S387 VanDerWaalsContact O-CB 3.3Å; T384-S387 WeakPolarHBondContact O-CB 3.15Å; T384-S387 PolarHBondContact O-N 3.04Å; T384-S387 PolarHBondContact O-OG 2.87Å; T384-S387 PolarHBondContact OG1-N 3.32Å; T384-S387 PolarHBondContact OG1-OG 3.09Å
385	M	80.9	Confident	92.4	Very high	27 Å²	27	11.6 Å²	11.6	13%	0.133	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.7	175.6	70.1	-163	-67.6	0	0	114.4	G354 L355 S402 P403 L405 M408	G354-M385 CarbonylContact C-O 3.52Å; L355-M385 HydrophobicContact CD1-CE 3.88Å; L355-M385 HydrophobicContact CD2-CB 3.83Å; L355-M385 HydrophobicContact CD2-CE 3.79Å; L355-M385 HydrophobicContact CD2-CG 4.1Å; L355-M385 WeakPolarHBondContact CD2-O 3.44Å; L355-M385 HydrophobicContact CG-CE 4.33Å; L355-M385 HydrophobicContact CG-CG 4.47Å; L355-M385 PolarHBondContact N-O 3.02Å; M385-S402 PolarHBondContact N-O 3.14Å; M385-P403 WeakPolarHBondContact CA-O 3.4Å; M385-P403 WeakPolarHBondContact CB-O 3.43Å; M385-L405 VanDerWaalsContact CE-CA 3.41Å; M385-L405 HydrophobicContact CE-CB 3.91Å; M385-L405 HydrophobicContact CE-CD2 3.32Å; M385-L405 HydrophobicContact CE-CG 3.32Å; M385-M408 HydrophobicContact CE-CG 4.26Å; M385-M408 HydrophobicContact SD-CG 3.92Å
386	Y	85.5	Confident	92.5	Very high	16 Å²	16	11.6 Å²	11.6	6%	0.063	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-4.4	-178.6	52	-101	0	0	0	112.6	T111 N352 G353 G354 A376 T384 G400 G445	T111-Y386 HydrophobicContact CG2-CD1 3.75Å; T111-Y386 HydrophobicContact CG2-CD2 4.08Å; T111-Y386 HydrophobicContact CG2-CE1 3.78Å; T111-Y386 HydrophobicContact CG2-CE2 4.1Å; T111-Y386 HydrophobicContact CG2-CG 3.91Å; N352-Y386 CarbonylContact C-O 3.48Å; N352-Y386 WeakPolarHBondContact CA-O 3.4Å; N352-Y386 HydrophobicContact CB-CD2 4.35Å; N352-Y386 WeakPolarHBondContact O-CB 3.13Å; N352-Y386 WeakPolarHBondContact OD1-CD2 3.35Å; G353-Y386 PolarHBondContact N-O 3.21Å; G354-Y386 PolarHBondContact N-O 3.17Å; A376-Y386 HydrophobicContact CB-CE2 4.16Å; T384-Y386 HydrophobicContact CG2-CE1 4.14Å; T384-Y386 HydrophobicContact CG2-CE2 4.12Å; T384-Y386 PolarHBondContact O-N 2.65Å; T384-Y386 VanDerWaalsContact O-N 3.08Å; T384-Y386 WeakPolarHBondContact OG1-CD2 3.34Å; T384-Y386 WeakPolarHBondContact OG1-CE2 3.29Å; T384-Y386 VanDerWaalsContact OG1-CZ 3.28Å; Y386-G400 PolarHBondContact OH-O 2.54Å; Y386-G445 WeakPolarHBondContact OH-CA 3.18Å; Y386-G445 PolarHBondContact OH-N 3.11Å
387	S	91.7	Very high	92.7	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.028	6%	0.056	C	C	.	.			trans	-66	136.8	179.3	-66.7	0	0	0	0	111.6	G354 A376 T384 Y502	G354-S387 WeakPolarHBondContact CA-O 3.3Å; A376-S387 PolarHBondContact O-OG 3.36Å; T384-S387 PolarHBondContact N-OG 3.42Å; T384-S387 VanDerWaalsContact N-OG 3.16Å; T384-S387 VanDerWaalsContact O-CB 3.3Å; T384-S387 WeakPolarHBondContact O-CB 3.15Å; T384-S387 PolarHBondContact O-N 3.04Å; T384-S387 PolarHBondContact O-OG 2.87Å; T384-S387 PolarHBondContact OG1-N 3.32Å; T384-S387 PolarHBondContact OG1-OG 3.09Å; S387-Y502 WeakPolarHBondContact O-CE1 3.49Å
388	E	94.3	Very high	92.7	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.009	6%	0.056	C	C	.	.			trans	-105.3	138.5	176	-64	172.4	-146.5	0	0	110.7	G351 N352 G353 D358 S359 C360 I393	G351-E388 VanDerWaalsContact C-OE1 3.23Å; G351-E388 WeakPolarHBondContact CA-OE1 3.41Å; N352-E388 PolarHBondContact N-OE1 3.3Å; G353-E388 VanDerWaalsContact CA-OE1 3.31Å; G353-E388 WeakPolarHBondContact CA-OE1 3.41Å; G353-E388 PolarHBondContact N-OE1 2.76Å; D358-E388 HydrophobicContact CB-CG 4.13Å; S359-E388 VanDerWaalsContact C-OE2 3.32Å; C360-E388 VanDerWaalsContact CA-OE2 3.31Å; C360-E388 WeakPolarHBondContact CA-OE2 3.43Å; C360-E388 HydrophobicContact CB-CB 3.98Å; C360-E388 PolarHBondContact N-OE2 2.92Å; C360-E388 VanDerWaalsContact N-OE2 3.09Å; C360-E388 PolarHBondContact SG-O 3.1Å; E388-I393 WeakPolarHBondContact O-CD1 3.42Å
389	P	96.4	Very high	92.6	Very high	12 Å²	12	11.6 Å²	11.6	8%	0.078	6%	0.056	C	C	.	.			trans	-90.5	138.4	179.6	32.7	-29.4	0	0	0	112.5	D358 S359 P501 Y502 L650	D358-P389 WeakPolarHBondContact O-CD 3.34Å; S359-P389 PolarHBondContact OG-O 3.26Å; P389-P501 VanDerWaalsContact CA-O 3.3Å; P389-P501 WeakPolarHBondContact CA-O 3.3Å; P389-P501 HydrophobicContact CB-CB 3.95Å; P389-Y502 HydrophobicContact CB-CD1 3.91Å; P389-Y502 HydrophobicContact CB-CD2 4.11Å; P389-Y502 HydrophobicContact CB-CE1 3.61Å; P389-Y502 HydrophobicContact CB-CE2 3.81Å; P389-Y502 HydrophobicContact CB-CG 4.18Å; P389-Y502 VanDerWaalsContact CD-CE1 3.43Å; P389-Y502 HydrophobicContact CG-CD1 4.41Å; P389-Y502 HydrophobicContact CG-CE1 3.68Å; P389-Y502 HydrophobicContact CG-CE2 4.36Å; P389-L650 HydrophobicContact CB-CD2 4.04Å; P389-L650 HydrophobicContact CG-CD2 4.35Å
390	C	96.7	Very high	92.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.			trans	-167.3	170.6	163.1	63.4	0	0	0	0	111.7	C360 G361 A392 Y499 P501 L650	C360-C390 VanDerWaalsContact C-SG 3.52Å; C360-C390 HydrophobicContact CB-CB 4.17Å; C360-C390 WeakPolarHBondContact CB-SG 3.32Å; C360-C390 WeakPolarHBondContact SG-CB 3.3Å; C360-C390 PolarHBondContact SG-N 3.07Å; C360-C390 CovalentContact SG-SG 2.04Å; C360-C390 PolarHBondContact SG-SG 3.38Å; G361-C390 VanDerWaalsContact N-CB 3.34Å; C390-A392 VanDerWaalsContact C-N 3.27Å; C390-A392 PolarHBondContact O-N 3.14Å; C390-Y499 PolarHBondContact O-OH 3.09Å; C390-P501 PolarHBondContact N-O 2.89Å; C390-P501 VanDerWaalsContact O-O 3.09Å; C390-L650 CarbonylContact C-O 3.53Å
391	S	97.9	Very high	91.5	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.007	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.1	177.7	58.4	0	0	0	0	114.8	Y499 L650 I651 T669 S670 V671	S391-Y499 VanDerWaalsContact CA-OH 3.22Å; S391-Y499 WeakPolarHBondContact CA-OH 3.29Å; S391-Y499 PolarHBondContact O-OH 2.96Å; S391-L650 WeakPolarHBondContact CB-O 3.38Å; S391-L650 PolarHBondContact N-O 3.4Å; S391-I651 WeakPolarHBondContact OG-CG2 3.36Å; S391-T669 CarbonylContact C-O 3.59Å; S391-T669 PolarHBondContact OG-O 2.74Å; S391-S670 WeakPolarHBondContact O-CA 3.25Å; S391-V671 WeakPolarHBondContact O-CG2 3.28Å; S391-V671 PolarHBondContact O-N 2.66Å
392	A	97.6	Very high	90.1	Very high	3 Å²	3	10.1 Å²	10.1	3%	0.025	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-16.7	-176.3	0	0	0	0	0	113.6	V366 C390 R394 T669	V366-A392 HydrophobicContact CG1-CB 4.3Å; V366-A392 WeakPolarHBondContact O-CB 3.25Å; C390-A392 VanDerWaalsContact C-N 3.27Å; C390-A392 PolarHBondContact O-N 3.14Å; A392-R394 PolarHBondContact O-N 3.39Å; A392-T669 PolarHBondContact N-O 3.37Å
393	I	98.2	Very high	88.5	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	124.5	179.8	-55.7	-177.7	0	0	0	109.1	E388 Y499 P501 G504	E388-I393 WeakPolarHBondContact O-CD1 3.42Å; I393-Y499 PolarHBondContact N-OH 3.17Å; I393-Y499 VanDerWaalsContact O-CE2 3.24Å; I393-Y499 WeakPolarHBondContact O-CE2 3.4Å; I393-Y499 PolarHBondContact O-OH 3.14Å; I393-P501 VanDerWaalsContact CD1-O 3.24Å; I393-P501 WeakPolarHBondContact CD1-O 3.37Å; I393-G504 VanDerWaalsContact O-CA 3.27Å; I393-G504 WeakPolarHBondContact O-CA 3.33Å
394	R	98.2	Very high	87	Confident	8 Å²	8	12 Å²	12	3%	0.03	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-48	179.8	-61.1	-65.5	-170.6	170.2	-2	111	I372 A373 A392 L476 Y505 W674	I372-R394 HydrophobicContact CB-CG 4.38Å; I372-R394 HydrophobicContact CG2-CB 3.83Å; I372-R394 HydrophobicContact CG2-CG 3.82Å; A373-R394 PolarHBondContact O-N 2.76Å; A392-R394 PolarHBondContact O-N 3.39Å; R394-L476 HydrophobicContact CB-CD1 3.76Å; R394-L476 HydrophobicContact CG-CD1 4.35Å; R394-Y505 WeakPolarHBondContact O-CD2 3.38Å; R394-Y505 PolarHBondContact O-N 3.12Å; R394-W674 VanDerWaalsContact NH1-CZ3 3.3Å
395	V	98.3	Very high	85.5	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160.4	-171.5	-64.7	0	0	0	0	110.7	V374 S375 F453 L476 S480 I503	V374-V395 WeakPolarHBondContact CA-O 3.33Å; V374-V395 HydrophobicContact CG1-CG2 4.37Å; V374-V395 HydrophobicContact CG2-CG2 4.09Å; S375-V395 PolarHBondContact N-O 3.39Å; V395-F453 HydrophobicContact CG1-CE2 4.46Å; V395-F453 HydrophobicContact CG2-CD1 4.28Å; V395-F453 HydrophobicContact CG2-CD2 3.76Å; V395-F453 HydrophobicContact CG2-CE1 4.2Å; V395-F453 HydrophobicContact CG2-CE2 3.65Å; V395-F453 HydrophobicContact CG2-CG 4.07Å; V395-F453 HydrophobicContact CG2-CZ 3.87Å; V395-L476 HydrophobicContact CG1-CB 3.84Å; V395-L476 HydrophobicContact CG1-CD1 4.04Å; V395-L476 HydrophobicContact CG1-CD2 4.28Å; V395-L476 HydrophobicContact CG1-CG 4.24Å; V395-S480 WeakPolarHBondContact CG1-OG 3.32Å; V395-I503 CarbonylContact C-O 3.58Å
396	S	98	Very high	83.9	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	163	169.5	70.5	0	0	0	0	112.1	S375 I503 G506 T507 I508	S375-S396 CarbonylContact O-C 3.55Å; S375-S396 VanDerWaalsContact O-CA 3.32Å; S375-S396 WeakPolarHBondContact O-CA 3.01Å; S375-S396 VanDerWaalsContact OG-CB 3.3Å; S375-S396 WeakPolarHBondContact OG-CB 3.48Å; S396-I503 PolarHBondContact N-O 3.5Å; S396-I503 WeakPolarHBondContact OG-CG2 3.14Å; S396-G506 PolarHBondContact N-O 2.83Å; S396-T507 WeakPolarHBondContact O-CA 3.46Å; S396-T507 PolarHBondContact O-OG1 3.45Å; S396-T507 VanDerWaalsContact OG-CA 3.22Å; S396-T507 WeakPolarHBondContact OG-CA 3.45Å; S396-T507 PolarHBondContact OG-N 2.9Å; S396-T507 PolarHBondContact OG-OG1 3.17Å; S396-T507 VanDerWaalsContact OG-OG1 3.04Å; S396-I508 PolarHBondContact O-N 3.04Å; S396-I508 VanDerWaalsContact O-N 3.11Å
397	V	97	Very high	82.2	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.8	171.3	-171	0	0	0	0	109.9	I185 V374 S375 I377 V399 A449 M452 F453 I508	I185-V397 HydrophobicContact CG2-CG1 3.7Å; V374-V397 HydrophobicContact CG1-CG2 3.85Å; S375-V397 PolarHBondContact O-N 3.16Å; I377-V397 PolarHBondContact N-O 3.06Å; I377-V397 VanDerWaalsContact N-O 3.07Å; V397-V399 HydrophobicContact CB-CG1 4.48Å; V397-V399 HydrophobicContact CG1-CG1 4.39Å; V397-V399 PolarHBondContact O-N 3.47Å; V397-A449 HydrophobicContact CB-CB 3.77Å; V397-A449 HydrophobicContact CG2-CB 4.09Å; V397-M452 HydrophobicContact CB-SD 4.46Å; V397-M452 HydrophobicContact CG1-CB 3.84Å; V397-M452 HydrophobicContact CG1-CE 3.66Å; V397-M452 HydrophobicContact CG1-CG 4.15Å; V397-M452 HydrophobicContact CG1-SD 3.26Å; V397-M452 WeakPolarHBondContact CG1-SD 3.32Å; V397-F453 HydrophobicContact CG2-CB 3.98Å; V397-I508 HydrophobicContact CG2-CG2 4.07Å
398	P	93.1	Very high	80	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	117.1	172.9	29.4	-31.9	0	0	0	109.2	W168 Q169 L183 I185 I377 T507	W168-P398 HydrophobicContact CH2-CB 3.84Å; W168-P398 HydrophobicContact CZ3-CB 3.84Å; Q169-P398 WeakPolarHBondContact CG-O 3.18Å; L183-P398 HydrophobicContact CG-CB 4.44Å; I185-P398 HydrophobicContact CG2-CG 4.1Å; I377-P398 HydrophobicContact CD1-CB 4.42Å; I377-P398 HydrophobicContact CG1-CB 4.04Å; P398-T507 WeakPolarHBondContact CD-OG1 3.42Å
399	V	87.5	Confident	77.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.			trans	-123.8	-10.3	176.4	-59.6	0	0	0	0	112.1	A376 I377 V397 A448 A449 M452	A376-V399 HydrophobicContact CB-CG2 3.54Å; I377-V399 PolarHBondContact O-N 2.97Å; V397-V399 HydrophobicContact CB-CG1 4.48Å; V397-V399 HydrophobicContact CG1-CG1 4.39Å; V397-V399 PolarHBondContact O-N 3.47Å; V399-A448 HydrophobicContact CB-CB 4.39Å; V399-A448 HydrophobicContact CG1-CB 4.12Å; V399-A449 HydrophobicContact CG1-CB 3.93Å; V399-M452 HydrophobicContact CG1-SD 4.02Å
400	G	79.5	Confident	74.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.			trans	91.4	-177.8	-174.3	0	0	0	0	0	112.3	I377 Y386	I377-G400 PolarHBondContact O-N 3.37Å; I377-G400 VanDerWaalsContact O-N 3.13Å; Y386-G400 PolarHBondContact OH-O 2.54Å
401	G	70.6	Confident	71.6	Confident	4 Å²	4	30.2 Å²	30.2	4%	0.041	16%	0.163	C	C	.	.			trans	129.9	-165.8	-178.3	0	0	0	0	0	109.8	F428 M444	G401-F428 WeakPolarHBondContact O-CE1 3.27Å; G401-F428 VanDerWaalsContact O-CZ 3.31Å; G401-F428 WeakPolarHBondContact O-CZ 3.21Å; G401-M444 VanDerWaalsContact CA-CE 3.44Å
402	S	62.5	Low	68.6	Low	4 Å²	4	32.7 Å²	32.7	3%	0.028	18%	0.178	C	C	.	.			trans	-128.1	154.2	170.4	63.1	0	0	0	0	110.7	M385 E404	M385-S402 PolarHBondContact N-O 3.14Å; S402-E404 VanDerWaalsContact C-N 3.34Å; S402-E404 PolarHBondContact OG-O 3.21Å
403	P	58.6	Low	65.4	Low	49 Å²	49	38.1 Å²	38.1	32%	0.318	21%	0.206	S	C	.	.	S	Bend	trans	-73	-28.9	172.7	29.2	-32.9	0	0	0	111.7	D378 M385	D378-P403 WeakPolarHBondContact OD2-CD 3.3Å; M385-P403 WeakPolarHBondContact CA-O 3.4Å; M385-P403 WeakPolarHBondContact CB-O 3.43Å
404	E	57.8	Low	62.4	Low	118 Å²	118	43.7 Å²	43.7	55%	0.551	24%	0.236	S	C	*	.	S	Bend	trans	-120	152.9	-177.7	-61.6	-168.1	177.8	0	0	114.4	S402 S406	S402-E404 VanDerWaalsContact C-N 3.34Å; S402-E404 PolarHBondContact OG-O 3.21Å; E404-S406 VanDerWaalsContact C-N 3.31Å; E404-S406 WeakPolarHBondContact CB-OG 3.39Å; E404-S406 PolarHBondContact OE2-OG 3.25Å
405	L	56	Low	59.5	Low	86 Å²	86	45.9 Å²	45.9	45%	0.45	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-36.4	168.8	-93.1	161.6	0	0	0	112.7	L355 M385 D407 M408 N409	L355-L405 HydrophobicContact CD1-CD1 4.41Å; L355-L405 HydrophobicContact CD1-CD2 4.05Å; L355-L405 HydrophobicContact CD1-CG 4.24Å; L355-L405 HydrophobicContact CD2-CD1 3.61Å; L355-L405 HydrophobicContact CD2-CD2 4.33Å; L355-L405 HydrophobicContact CD2-CG 3.6Å; M385-L405 VanDerWaalsContact CE-CA 3.41Å; M385-L405 HydrophobicContact CE-CB 3.91Å; M385-L405 HydrophobicContact CE-CD2 3.32Å; M385-L405 HydrophobicContact CE-CG 3.32Å; L405-D407 PolarHBondContact O-N 2.86Å; L405-M408 CarbonylContact O-C 3.57Å; L405-M408 WeakPolarHBondContact O-CA 3.39Å; L405-M408 WeakPolarHBondContact O-CB 3.14Å; L405-M408 PolarHBondContact O-N 3.34Å; L405-M408 VanDerWaalsContact O-N 3.08Å; L405-N409 PolarHBondContact O-N 2.92Å
406	S	46.7	Very low	56.6	Low	44 Å²	44	55.9 Å²	55.9	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-56.4	-42.4	-179.7	52.5	0	0	0	0	110.6	E404 M408 N409 I410	E404-S406 VanDerWaalsContact C-N 3.31Å; E404-S406 WeakPolarHBondContact CB-OG 3.39Å; E404-S406 PolarHBondContact OE2-OG 3.25Å; S406-M408 VanDerWaalsContact C-N 3.3Å; S406-M408 PolarHBondContact O-N 3.31Å; S406-N409 CarbonylContact O-C 3.43Å; S406-N409 PolarHBondContact O-N 3.43Å; S406-N409 VanDerWaalsContact O-N 3.12Å; S406-I410 WeakPolarHBondContact O-CB 3.48Å; S406-I410 VanDerWaalsContact O-CG1 3.22Å; S406-I410 WeakPolarHBondContact O-CG1 3.3Å; S406-I410 PolarHBondContact O-N 2.91Å
407	D	49.2	Very low	53.8	Low	65 Å²	65	62.8 Å²	62.8	35%	0.348	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-37.4	176.9	-63.7	-32.3	0	0	0	111.6	L405 L411	L405-D407 PolarHBondContact O-N 2.86Å; D407-L411 VanDerWaalsContact O-CD1 3.26Å; D407-L411 WeakPolarHBondContact O-CD1 3.32Å; D407-L411 WeakPolarHBondContact O-CG 3.26Å; D407-L411 PolarHBondContact O-N 3.12Å
408	M	45.6	Very low	50.9	Low	40 Å²	40	67.9 Å²	67.9	20%	0.197	35%	0.352	C	S	.	.	H	α-helix	trans	-71.1	-41.3	171.7	-72.2	-77.7	-79.2	0	0	111.8	Y113 M385 L405 S406 L411 V412 F425	Y113-M408 HydrophobicContact CD2-CE 4.39Å; Y113-M408 HydrophobicContact CE2-CE 4.47Å; M385-M408 HydrophobicContact CE-CG 4.26Å; M385-M408 HydrophobicContact SD-CG 3.92Å; L405-M408 CarbonylContact O-C 3.57Å; L405-M408 WeakPolarHBondContact O-CA 3.39Å; L405-M408 WeakPolarHBondContact O-CB 3.14Å; L405-M408 PolarHBondContact O-N 3.34Å; L405-M408 VanDerWaalsContact O-N 3.08Å; S406-M408 VanDerWaalsContact C-N 3.3Å; S406-M408 PolarHBondContact O-N 3.31Å; M408-L411 CarbonylContact O-C 3.54Å; M408-L411 WeakPolarHBondContact O-CA 3.4Å; M408-L411 VanDerWaalsContact O-CB 3.3Å; M408-L411 WeakPolarHBondContact O-CB 3.38Å; M408-L411 PolarHBondContact O-N 3.14Å; M408-V412 WeakPolarHBondContact O-CG2 3.36Å; M408-V412 PolarHBondContact O-N 3.18Å; M408-F425 HydrophobicContact CE-CE1 4.39Å; M408-F425 HydrophobicContact CE-CZ 3.75Å; M408-F425 HydrophobicContact SD-CE1 4.32Å; M408-F425 HydrophobicContact SD-CZ 3.76Å
409	N	36.3	Very low	48.4	Very low	79 Å²	79	75.7 Å²	75.7	42%	0.422	39%	0.393	S	S	.	.	H	α-helix	trans	-70.4	-31.7	-180	-81.2	-19.9	0	0	0	113.3	L405 S406 L411 V412 N413	L405-N409 PolarHBondContact O-N 2.92Å; S406-N409 CarbonylContact O-C 3.43Å; S406-N409 PolarHBondContact O-N 3.43Å; S406-N409 VanDerWaalsContact O-N 3.12Å; N409-L411 PolarHBondContact O-N 2.7Å; N409-V412 PolarHBondContact O-N 3.4Å; N409-N413 VanDerWaalsContact O-CB 3.31Å; N409-N413 WeakPolarHBondContact O-CB 3.27Å; N409-N413 PolarHBondContact O-N 3.23Å
410	I	38.3	Very low	46	Very low	103 Å²	103	81.2 Å²	81.2	53%	0.528	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-26.4	170.1	-69.6	166.1	0	0	0	109.8	S406 N414	S406-I410 WeakPolarHBondContact O-CB 3.48Å; S406-I410 VanDerWaalsContact O-CG1 3.22Å; S406-I410 WeakPolarHBondContact O-CG1 3.3Å; S406-I410 PolarHBondContact O-N 2.91Å; I410-N414 PolarHBondContact O-ND2 3.15Å
411	L	37.3	Very low	44.1	Very low	31 Å²	31	88.5 Å²	88.5	16%	0.162	46%	0.462	C	S	.	.	H	α-helix	trans	-85.1	-26.1	173.1	-60.9	167.8	0	0	0	113.6	D407 M408 N409 F425 L426	D407-L411 VanDerWaalsContact O-CD1 3.26Å; D407-L411 WeakPolarHBondContact O-CD1 3.32Å; D407-L411 WeakPolarHBondContact O-CG 3.26Å; D407-L411 PolarHBondContact O-N 3.12Å; M408-L411 CarbonylContact O-C 3.54Å; M408-L411 WeakPolarHBondContact O-CA 3.4Å; M408-L411 VanDerWaalsContact O-CB 3.3Å; M408-L411 WeakPolarHBondContact O-CB 3.38Å; M408-L411 PolarHBondContact O-N 3.14Å; N409-L411 PolarHBondContact O-N 2.7Å; L411-F425 HydrophobicContact CB-CD2 3.85Å; L411-F425 HydrophobicContact CB-CE2 3.72Å; L411-F425 HydrophobicContact CB-CZ 4.5Å; L411-L426 HydrophobicContact CD1-CB 3.94Å; L411-L426 HydrophobicContact CD1-CD1 4.35Å; L411-L426 HydrophobicContact CD1-CG 4.46Å; L411-L426 HydrophobicContact CD2-CB 3.83Å; L411-L426 HydrophobicContact CD2-CD1 3.59Å; L411-L426 HydrophobicContact CD2-CG 3.52Å
412	V	34.9	Very low	42.4	Very low	53 Å²	53	94.2 Å²	94.2	32%	0.321	49%	0.492	S	S	.	.	H	α-helix	trans	-85.7	-46.4	177.2	176.9	0	0	0	0	112.4	M408 N409 N414 N415 F425	M408-V412 WeakPolarHBondContact O-CG2 3.36Å; M408-V412 PolarHBondContact O-N 3.18Å; N409-V412 PolarHBondContact O-N 3.4Å; V412-N414 PolarHBondContact O-N 3.14Å; V412-N415 PolarHBondContact O-N 3.46Å; V412-F425 HydrophobicContact CG2-CE2 3.97Å
413	N	29.9	Very low	41.1	Very low	116 Å²	116	98.5 Å²	98.5	62%	0.62	51%	0.514	S	S	*	.	H	α-helix	trans	-77.7	-21.4	-169.9	-83.3	-20.8	0	0	0	114.5	N409 N415	N409-N413 VanDerWaalsContact O-CB 3.31Å; N409-N413 WeakPolarHBondContact O-CB 3.27Å; N409-N413 PolarHBondContact O-N 3.23Å; N413-N415 PolarHBondContact O-N 3.23Å; N413-N415 VanDerWaalsContact O-N 3.07Å
414	N	34.5	Very low	40.2	Very low	117 Å²	117	100.6 Å²	100.6	63%	0.626	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.5	176.2	-78.2	-29.7	0	0	0	113.5	I410 V412	I410-N414 PolarHBondContact O-ND2 3.15Å; V412-N414 PolarHBondContact O-N 3.14Å
415	N	38	Very low	39.4	Very low	55 Å²	55	97.1 Å²	97.1	29%	0.294	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-4.8	-178.2	-86	-19.9	0	0	0	116.4	V412 N413 N417 N423	V412-N415 PolarHBondContact O-N 3.46Å; N413-N415 PolarHBondContact O-N 3.23Å; N413-N415 VanDerWaalsContact O-N 3.07Å; N415-N417 PolarHBondContact O-N 3.06Å; N415-N423 WeakPolarHBondContact ND2-CA 3.27Å; N415-N423 WeakPolarHBondContact ND2-CB 3.33Å; N415-N423 PolarHBondContact ND2-OD1 3.45Å; N415-N423 PolarHBondContact OD1-OD1 3.41Å
416	Y	37.9	Very low	38.8	Very low	209 Å²	209	95.2 Å²	95.2	82%	0.82	49%	0.493	S	S	*	.	S	Bend	trans	-72	-18.2	-179.3	-153.7	-93.6	0	0	0	113.1
417	N	37.7	Very low	38.8	Very low	145 Å²	145	93.5 Å²	93.5	78%	0.775	48%	0.481	S	S	*	.	S	Bend	trans	-121.2	5	-173.2	-78.3	-14.8	0	0	0	116.7	N415	N415-N417 PolarHBondContact O-N 3.06Å
418	N	37.1	Very low	39.1	Very low	108 Å²	108	91 Å²	91	58%	0.578	47%	0.467	S	S	*	.			trans	-123.3	109.5	176.8	-81.2	-31.9	0	0	0	111.3	N420	N418-N420 PolarHBondContact O-N 2.8Å
419	N	40.3	Very low	39.7	Very low	163 Å²	163	89.1 Å²	89.1	87%	0.872	46%	0.458	S	S	*	.			trans	-68.1	30.1	174.7	-70.1	-25.3	0	0	0	113.9
420	N	37.5	Very low	41.2	Very low	117 Å²	117	85.4 Å²	85.4	63%	0.626	44%	0.438	S	S	*	.			trans	-97.1	111.6	171.5	-69.1	-14.3	0	0	0	106.6	N418 N422	N418-N420 PolarHBondContact O-N 2.8Å; N420-N422 PolarHBondContact O-N 3Å
421	N	38.8	Very low	42.9	Very low	152 Å²	152	80.6 Å²	80.6	81%	0.813	41%	0.413	S	S	*	.	S	Bend	trans	-60.4	15.9	-178.1	-69.1	-26.9	0	0	0	115.4	N423	N421-N423 PolarHBondContact O-N 2.83Å
422	N	35.4	Very low	44.9	Very low	125 Å²	125	79.3 Å²	79.3	67%	0.668	41%	0.407	S	S	*	.			trans	-94.7	52.3	177.6	-55.5	9.4	0	0	0	108.3	N420 E424	N420-N422 PolarHBondContact O-N 3Å; N422-E424 PolarHBondContact O-N 3.16Å
423	N	34.8	Very low	47.1	Very low	94 Å²	94	76.8 Å²	76.8	50%	0.503	39%	0.391	S	S	.	.			trans	-68.2	62.6	178.3	-71.3	-8.6	0	0	0	110	N415 N421 F425	N415-N423 WeakPolarHBondContact ND2-CA 3.27Å; N415-N423 WeakPolarHBondContact ND2-CB 3.33Å; N415-N423 PolarHBondContact ND2-OD1 3.45Å; N415-N423 PolarHBondContact OD1-OD1 3.41Å; N421-N423 PolarHBondContact O-N 2.83Å; N423-F425 PolarHBondContact O-N 3.04Å
424	E	39.6	Very low	49.8	Very low	93 Å²	93	71.9 Å²	71.9	44%	0.435	37%	0.365	S	S	.	.			trans	-71.5	66.3	-178.8	-73.7	-177.2	155.1	0	0	109.4	S124 N422 L426	S124-E424 WeakPolarHBondContact CB-OE1 3.36Å; S124-E424 PolarHBondContact OG-OE1 3.27Å; N422-E424 PolarHBondContact O-N 3.16Å; E424-L426 PolarHBondContact O-N 3.41Å; E424-L426 VanDerWaalsContact O-N 3.15Å
425	F	42.4	Very low	52.3	Low	45 Å²	45	66.5 Å²	66.5	20%	0.197	34%	0.336	C	S	.	.			trans	-53.8	119.5	161	-163.1	-102.4	0	0	0	106.1	Y113 M408 L411 V412 N423 S427	Y113-F425 HydrophobicContact CD2-CZ 4.31Å; Y113-F425 HydrophobicContact CE2-CZ 4.2Å; M408-F425 HydrophobicContact CE-CE1 4.39Å; M408-F425 HydrophobicContact CE-CZ 3.75Å; M408-F425 HydrophobicContact SD-CE1 4.32Å; M408-F425 HydrophobicContact SD-CZ 3.76Å; L411-F425 HydrophobicContact CB-CD2 3.85Å; L411-F425 HydrophobicContact CB-CE2 3.72Å; L411-F425 HydrophobicContact CB-CZ 4.5Å; V412-F425 HydrophobicContact CG2-CE2 3.97Å; N423-F425 PolarHBondContact O-N 3.04Å; F425-S427 PolarHBondContact O-N 3.47Å; F425-S427 PolarHBondContact O-OG 3.17Å
426	L	43.5	Very low	54.8	Low	46 Å²	46	65.7 Å²	65.7	24%	0.241	33%	0.331	C	S	.	.			trans	-57.1	85	175.8	-71.1	178.4	0	0	0	107.5	L125 I128 L411 E424 F428	L125-L426 HydrophobicContact CD2-CD2 4.29Å; I128-L426 HydrophobicContact CD1-CD1 4.27Å; L411-L426 HydrophobicContact CD1-CB 3.94Å; L411-L426 HydrophobicContact CD1-CD1 4.35Å; L411-L426 HydrophobicContact CD1-CG 4.46Å; L411-L426 HydrophobicContact CD2-CB 3.83Å; L411-L426 HydrophobicContact CD2-CD1 3.59Å; L411-L426 HydrophobicContact CD2-CG 3.52Å; E424-L426 PolarHBondContact O-N 3.41Å; E424-L426 VanDerWaalsContact O-N 3.15Å; L426-F428 VanDerWaalsContact O-CD2 3.28Å; L426-F428 WeakPolarHBondContact O-CD2 2.86Å; L426-F428 PolarHBondContact O-N 3.31Å; L426-F428 VanDerWaalsContact O-N 3.08Å
427	S	45.8	Very low	57.3	Low	7 Å²	7	59.7 Å²	59.7	5%	0.049	31%	0.314	C	S	.	.			trans	-76.3	104.7	-176.7	-59.8	0	0	0	0	102.7	L125 F425 N429 K441	L125-S427 WeakPolarHBondContact CD1-O 3.34Å; F425-S427 PolarHBondContact O-N 3.47Å; F425-S427 PolarHBondContact O-OG 3.17Å; S427-N429 WeakPolarHBondContact CB-OD1 3.39Å; S427-N429 PolarHBondContact O-N 3.37Å; S427-N429 PolarHBondContact O-OD1 3.09Å; S427-K441 WeakPolarHBondContact OG-CE 3.46Å; S427-K441 PolarHBondContact OG-NZ 2.02Å
428	F	54.8	Low	59.8	Low	13 Å²	13	56.6 Å²	56.6	6%	0.057	29%	0.293	C	S	.	.			trans	-67.3	67.1	174.5	-63	-86	0	0	0	108.8	V177 N379 G401 L426 R430 M444	V177-F428 HydrophobicContact CG1-CD1 3.6Å; V177-F428 HydrophobicContact CG1-CE1 4.24Å; V177-F428 HydrophobicContact CG1-CG 4.39Å; N379-F428 HydrophobicContact CB-CD1 4.31Å; G401-F428 WeakPolarHBondContact O-CE1 3.27Å; G401-F428 VanDerWaalsContact O-CZ 3.31Å; G401-F428 WeakPolarHBondContact O-CZ 3.21Å; L426-F428 VanDerWaalsContact O-CD2 3.28Å; L426-F428 WeakPolarHBondContact O-CD2 2.86Å; L426-F428 PolarHBondContact O-N 3.31Å; L426-F428 VanDerWaalsContact O-N 3.08Å; F428-R430 PolarHBondContact O-N 3.11Å; F428-M444 HydrophobicContact CB-CE 3.38Å; F428-M444 HydrophobicContact CB-SD 4.29Å; F428-M444 HydrophobicContact CD2-CE 3.96Å; F428-M444 HydrophobicContact CG-CE 3.96Å
429	N	58.6	Low	62.2	Low	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.273	C	S	.	.			trans	-52.3	124.4	-151.4	-89.4	-12.4	0	0	0	110.8	A122 L125 Q169 S427 K441	A122-N429 WeakPolarHBondContact CA-ND2 2.97Å; A122-N429 VanDerWaalsContact CB-ND2 3.27Å; A122-N429 WeakPolarHBondContact CB-ND2 3.27Å; L125-N429 HydrophobicContact CD1-CB 4.36Å; L125-N429 WeakPolarHBondContact CD1-ND2 3.28Å; Q169-N429 PolarHBondContact NE2-O 3.38Å; S427-N429 WeakPolarHBondContact CB-OD1 3.39Å; S427-N429 PolarHBondContact O-N 3.37Å; S427-N429 PolarHBondContact O-OD1 3.09Å; N429-K441 WeakPolarHBondContact OD1-CE 3.38Å
430	R	69	Low	64.1	Low	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-134.7	86.6	165	-165.9	-177.8	178	-163.3	-12	110	L258 F428 K441 S442 F443 A448 M452	L258-R430 VanDerWaalsContact CD1-NH1 3.29Å; F428-R430 PolarHBondContact O-N 3.11Å; R430-K441 CarbonylContact C-O 3.33Å; R430-K441 PolarHBondContact N-O 3.46Å; R430-S442 WeakPolarHBondContact O-CA 3.38Å; R430-F443 WeakPolarHBondContact CD-O 3.31Å; R430-F443 PolarHBondContact O-N 2.98Å; R430-F443 VanDerWaalsContact O-N 3.14Å; R430-A448 PolarHBondContact NH1-O 3.06Å; R430-M452 VanDerWaalsContact CZ-CG 3.41Å; R430-M452 PolarHBondContact NH1-SD 3.36Å; R430-M452 PolarHBondContact NH2-SD 2.98Å
431	P	72.8	Confident	65.8	Low	3 Å²	3	40 Å²	40	2%	0.019	21%	0.206	C	C	.	.			trans	-70.2	139.7	179.9	-21.5	36	0	0	0	111.6	F117 A163 M440 K441	F117-P431 HydrophobicContact CD2-CB 4.05Å; F117-P431 HydrophobicContact CD2-CG 3.91Å; F117-P431 HydrophobicContact CE2-CB 4.32Å; F117-P431 HydrophobicContact CE2-CG 3.86Å; A163-P431 HydrophobicContact CB-CB 3.5Å; A163-P431 VanDerWaalsContact CB-CB 3.5Å; A163-P431 HydrophobicContact CB-CG 3.82Å; P431-M440 CarbonylContact C-O 3.37Å; P431-M440 WeakPolarHBondContact CA-O 3.42Å; P431-K441 WeakPolarHBondContact CA-O 3.3Å
432	T	79.2	Confident	67.4	Low	3 Å²	3	33.5 Å²	33.5	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-177	177.1	-171.8	0	0	0	0	110.2	R254 L258 C439 M440 F443	R254-T432 HydrophobicContact CB-CG2 4.22Å; R254-T432 PolarHBondContact O-OG1 3.43Å; L258-T432 VanDerWaalsContact CD2-CB 3.41Å; L258-T432 HydrophobicContact CD2-CG2 4.13Å; L258-T432 VanDerWaalsContact CD2-OG1 3.29Å; L258-T432 WeakPolarHBondContact CD2-OG1 2.98Å; L258-T432 HydrophobicContact CG-CG2 4.41Å; T432-C439 CarbonylContact O-C 3.58Å; T432-C439 WeakPolarHBondContact O-CA 3.16Å; T432-M440 HydrophobicContact CG2-CB 3.76Å; T432-M440 HydrophobicContact CG2-CG 4.17Å; T432-M440 PolarHBondContact N-O 2.87Å; T432-M440 PolarHBondContact O-N 3.44Å; T432-F443 HydrophobicContact CG2-CB 3.75Å; T432-F443 HydrophobicContact CG2-CD1 4.17Å; T432-F443 HydrophobicContact CG2-CG 4.33Å
433	T	81.1	Confident	69.4	Low	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	145.8	171.9	55	0	0	0	0	111.7	H213 D215 L216 T253 R254 G257 A261	H213-T433 VanDerWaalsContact CE1-CG2 3.42Å; H213-T433 WeakPolarHBondContact CE1-CG2 3.49Å; D215-T433 HydrophobicContact CB-CG2 3.58Å; D215-T433 VanDerWaalsContact OD2-CG2 3.22Å; D215-T433 WeakPolarHBondContact OD2-CG2 3.47Å; L216-T433 HydrophobicContact CD2-CG2 3.93Å; L216-T433 HydrophobicContact CG-CG2 4.11Å; T253-T433 PolarHBondContact O-OG1 2.57Å; R254-T433 WeakPolarHBondContact CG-O 3.13Å; G257-T433 WeakPolarHBondContact CA-OG1 3.31Å; A261-T433 HydrophobicContact CB-CG2 4.26Å
434	M	86.9	Confident	71.5	Confident	14 Å²	14	25 Å²	25	7%	0.069	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.4	170.5	-178.6	-179.6	-175.5	0	0	107.4	H213 E247 K438 M440	H213-M434 PolarHBondContact CD2-O 3.47Å; H213-M434 VanDerWaalsContact CD2-O 3.23Å; H213-M434 PolarHBondContact NE2-O 3.12Å; E247-M434 HydrophobicContact CG-CE 4.08Å; M434-K438 WeakPolarHBondContact CA-O 3.37Å; M434-K438 HydrophobicContact CB-CB 3.77Å; M434-K438 HydrophobicContact CG-CB 4.04Å; M434-K438 PolarHBondContact N-O 2.94Å; M434-K438 PolarHBondContact O-N 3.4Å; M434-K438 VanDerWaalsContact O-N 3.1Å; M434-K438 HydrophobicContact SD-CB 4.14Å; M434-K438 HydrophobicContact SD-CD 4.25Å; M434-M440 HydrophobicContact CB-CB 4.07Å; M434-M440 HydrophobicContact SD-CE 4.43Å
435	E	87.7	Confident	73.6	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.019	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	146.5	179.2	63.8	-73	169.3	0	0	113.9	I245 E247 G250 R254	I245-E435 HydrophobicContact CB-CB 3.89Å; I245-E435 HydrophobicContact CB-CG 4.18Å; I245-E435 HydrophobicContact CD1-CB 4.25Å; I245-E435 HydrophobicContact CG2-CB 3.81Å; I245-E435 HydrophobicContact CG2-CG 4.03Å; E247-E435 WeakPolarHBondContact CA-OE1 3.36Å; G250-E435 WeakPolarHBondContact CA-OE2 3.5Å; R254-E435 IonicContact CZ-OE2 3.83Å; R254-E435 IonicContact NE-OE2 3.51Å; R254-E435 PolarHBondContact NE-OE2 2.84Å; R254-E435 VanDerWaalsContact NE-OE2 3.09Å; R254-E435 IonicContact NH2-OE1 3.92Å; R254-E435 PolarHBondContact NH2-OE1 3.39Å; R254-E435 IonicContact NH2-OE2 2.89Å; R254-E435 PolarHBondContact NH2-OE2 3Å; R254-E435 VanDerWaalsContact NH2-OE2 3.12Å
436	N	89.9	Confident	75.9	Confident	37 Å²	37	18.4 Å²	18.4	20%	0.198	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	49	-177.4	-40.5	-75.4	0	0	0	113.8	D210 I244 I245 K438	D210-N436 PolarHBondContact OD2-N 3.04Å; I244-N436 WeakPolarHBondContact CA-OD1 3.3Å; I245-N436 PolarHBondContact N-OD1 3.35Å; I245-N436 PolarHBondContact O-ND2 3.4Å; N436-K438 VanDerWaalsContact C-N 3.26Å; N436-K438 PolarHBondContact O-N 2.91Å
437	D	90.6	Very high	78.1	Confident	83 Å²	83	16.2 Å²	16.2	44%	0.444	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	36.2	174.1	-45	-25	0	0	0	113.1	P214 F267	P214-D437 WeakPolarHBondContact CD-OD1 3.43Å; P214-D437 HydrophobicContact CG-CB 4.22Å; F267-D437 WeakPolarHBondContact CZ-O 3.42Å
438	K	89.6	Confident	80.3	Confident	81 Å²	81	15.9 Å²	15.9	35%	0.352	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	163	-178.6	-72.3	179.8	-175	-175.5	0	110.8	H213 M434 N436	H213-K438 PolarHBondContact NE2-O 3.47Å; H213-K438 VanDerWaalsContact NE2-O 3.09Å; M434-K438 WeakPolarHBondContact CA-O 3.37Å; M434-K438 HydrophobicContact CB-CB 3.77Å; M434-K438 HydrophobicContact CG-CB 4.04Å; M434-K438 PolarHBondContact N-O 2.94Å; M434-K438 PolarHBondContact O-N 3.4Å; M434-K438 VanDerWaalsContact O-N 3.1Å; M434-K438 HydrophobicContact SD-CB 4.14Å; M434-K438 HydrophobicContact SD-CD 4.25Å; N436-K438 VanDerWaalsContact C-N 3.26Å; N436-K438 PolarHBondContact O-N 2.91Å
439	C	87.4	Confident	82.3	Confident	23 Å²	23	15.3 Å²	15.3	16%	0.155	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	171.1	-48.9	0	0	0	0	109.7	F117 C268 T432	F117-C439 HydrophobicContact CB-CB 3.97Å; F117-C439 PolarHBondContact N-O 3.05Å; C268-C439 WeakPolarHBondContact CA-SG 3.42Å; C268-C439 HydrophobicContact CB-CB 3.83Å; C268-C439 WeakPolarHBondContact CB-SG 3.46Å; C268-C439 WeakPolarHBondContact SG-CA 3.37Å; C268-C439 WeakPolarHBondContact SG-CB 3.23Å; C268-C439 CovalentContact SG-SG 2.03Å; C268-C439 PolarHBondContact SG-SG 3.14Å; T432-C439 CarbonylContact O-C 3.58Å; T432-C439 WeakPolarHBondContact O-CA 3.16Å
440	M	81.6	Confident	84.1	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.4	168.6	-178.2	59.3	85.1	0	0	109	N114 S115 R254 P431 T432 M434 S442 F443	N114-M440 HydrophobicContact CB-CE 4.13Å; N114-M440 WeakPolarHBondContact OD1-CE 3.44Å; S115-M440 VanDerWaalsContact O-SD 3.34Å; R254-M440 HydrophobicContact CG-CE 4.47Å; R254-M440 VanDerWaalsContact NH1-CE 3.33Å; P431-M440 CarbonylContact C-O 3.37Å; P431-M440 WeakPolarHBondContact CA-O 3.42Å; T432-M440 HydrophobicContact CG2-CB 3.76Å; T432-M440 HydrophobicContact CG2-CG 4.17Å; T432-M440 PolarHBondContact N-O 2.87Å; T432-M440 PolarHBondContact O-N 3.44Å; M434-M440 HydrophobicContact CB-CB 4.07Å; M434-M440 HydrophobicContact SD-CE 4.43Å; M440-S442 WeakPolarHBondContact CG-O 3.38Å; M440-F443 HydrophobicContact CG-CB 4.12Å
441	K	71.9	Confident	85.5	Confident	17 Å²	17	15.2 Å²	15.2	7%	0.074	8%	0.078	C	C	.	.	S	Bend	trans	-79.9	-44.7	176.5	-171.9	-174.1	-178.9	-166.7	0	112.8	S115 F117 V121 S427 N429 R430 P431	S115-K441 VanDerWaalsContact O-CB 3.23Å; S115-K441 WeakPolarHBondContact O-CB 3.47Å; S115-K441 PolarHBondContact O-N 2.93Å; F117-K441 HydrophobicContact CB-CB 4.43Å; F117-K441 HydrophobicContact CD2-CG 4.45Å; V121-K441 VanDerWaalsContact CG1-NZ 3.25Å; S427-K441 WeakPolarHBondContact OG-CE 3.46Å; S427-K441 PolarHBondContact OG-NZ 2.02Å; N429-K441 WeakPolarHBondContact OD1-CE 3.38Å; R430-K441 CarbonylContact C-O 3.33Å; R430-K441 PolarHBondContact N-O 3.46Å; P431-K441 WeakPolarHBondContact CA-O 3.3Å
442	S	72.6	Confident	86.7	Confident	15 Å²	15	15.1 Å²	15.1	11%	0.105	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-142.4	118.8	-175.4	-167.1	0	0	0	0	109.3	R430 M440 M444	R430-S442 WeakPolarHBondContact O-CA 3.38Å; M440-S442 WeakPolarHBondContact CG-O 3.38Å; S442-M444 WeakPolarHBondContact OG-CG 3.35Å; S442-M444 PolarHBondContact OG-SD 3.36Å
443	F	77.5	Confident	87.6	Confident	9 Å²	9	15 Å²	15	4%	0.039	8%	0.077	C	C	.	.			trans	-124.2	118.8	169.2	-175.4	-136.9	0	0	0	108.9	H251 R254 L258 R430 T432 M440 A448	H251-F443 AromaticContact CD2-CE2 3.92Å; H251-F443 AromaticContact CD2-CZ 3.84Å; H251-F443 AromaticContact NE2-CE2 3.91Å; H251-F443 AromaticContact NE2-CZ 3.64Å; R254-F443 HydrophobicContact CB-CD1 3.87Å; R254-F443 HydrophobicContact CB-CE1 3.88Å; R254-F443 HydrophobicContact CB-CG 4.28Å; R254-F443 HydrophobicContact CB-CZ 4.25Å; L258-F443 HydrophobicContact CD1-CD1 3.41Å; L258-F443 VanDerWaalsContact CD1-CD1 3.41Å; L258-F443 HydrophobicContact CD1-CE1 3.79Å; L258-F443 HydrophobicContact CG-CD1 4.29Å; R430-F443 WeakPolarHBondContact CD-O 3.31Å; R430-F443 PolarHBondContact O-N 2.98Å; R430-F443 VanDerWaalsContact O-N 3.14Å; T432-F443 HydrophobicContact CG2-CB 3.75Å; T432-F443 HydrophobicContact CG2-CD1 4.17Å; T432-F443 HydrophobicContact CG2-CG 4.33Å; M440-F443 HydrophobicContact CG-CB 4.12Å; F443-A448 HydrophobicContact CD1-CB 3.98Å; F443-A448 HydrophobicContact CE1-CB 4.16Å; F443-A448 HydrophobicContact CG-CB 4.33Å; F443-A448 WeakPolarHBondContact O-CB 3.5Å
444	M	78.1	Confident	88.5	Confident	31 Å²	31	15 Å²	15	15%	0.153	8%	0.077	C	C	.	.			trans	-128.7	-177.5	-168.8	-47.8	-176.9	80.2	0	0	109.8	T111 G401 F428 S442	T111-M444 VanDerWaalsContact OG1-C 3.32Å; T111-M444 PolarHBondContact OG1-O 2.93Å; G401-M444 VanDerWaalsContact CA-CE 3.44Å; F428-M444 HydrophobicContact CB-CE 3.38Å; F428-M444 HydrophobicContact CB-SD 4.29Å; F428-M444 HydrophobicContact CD2-CE 3.96Å; F428-M444 HydrophobicContact CG-CE 3.96Å; S442-M444 WeakPolarHBondContact OG-CG 3.35Å; S442-M444 PolarHBondContact OG-SD 3.36Å
445	G	83.9	Confident	89	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	90.6	172.8	-177.4	0	0	0	0	0	112.8	Y386 S447 A448 A449	Y386-G445 WeakPolarHBondContact OH-CA 3.18Å; Y386-G445 PolarHBondContact OH-N 3.11Å; G445-S447 PolarHBondContact O-N 3.04Å; G445-A448 WeakPolarHBondContact O-CB 3.48Å; G445-A448 PolarHBondContact O-N 3.07Å; G445-A449 PolarHBondContact O-N 3.2Å
446	T	90.8	Very high	89.6	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61	-26.2	174.2	53.4	0	0	0	0	112.1	S350 G351 N352 A376 A448 A449 A450	S350-T446 WeakPolarHBondContact OG-CG2 3.12Å; G351-T446 WeakPolarHBondContact O-CG2 3.21Å; G351-T446 PolarHBondContact O-OG1 3.14Å; N352-T446 PolarHBondContact OD1-N 2.98Å; N352-T446 PolarHBondContact OD1-OG1 3.25Å; A376-T446 HydrophobicContact CB-CG2 4.05Å; T446-A448 PolarHBondContact O-N 3.41Å; T446-A449 PolarHBondContact O-N 3.09Å; T446-A449 VanDerWaalsContact O-N 3.08Å; T446-A450 PolarHBondContact O-N 3.27Å
447	S	91.3	Very high	90	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.8	-23.3	170.7	-62.9	0	0	0	0	115	R109 H251 C255 S310 G445 P451	R109-S447 WeakPolarHBondContact CB-OG 3.17Å; R109-S447 WeakPolarHBondContact O-CB 3.4Å; R109-S447 PolarHBondContact O-OG 2.81Å; H251-S447 PolarHBondContact CE1-OG 2.81Å; H251-S447 VanDerWaalsContact NE2-CB 3.34Å; H251-S447 WeakPolarHBondContact NE2-CB 3.22Å; H251-S447 PolarHBondContact NE2-OG 3.27Å; C255-S447 PolarHBondContact SG-O 3.39Å; S310-S447 WeakPolarHBondContact CB-OG 3.35Å; G445-S447 PolarHBondContact O-N 3.04Å; S447-P451 WeakPolarHBondContact O-CD 3.22Å; S447-P451 WeakPolarHBondContact O-CG 3.14Å
448	A	91.7	Very high	90.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-88.6	-32.4	173.8	0	0	0	0	0	110.5	L258 V399 R430 F443 G445 T446 P451 M452	L258-A448 HydrophobicContact CD1-CB 3.92Å; V399-A448 HydrophobicContact CB-CB 4.39Å; V399-A448 HydrophobicContact CG1-CB 4.12Å; R430-A448 PolarHBondContact NH1-O 3.06Å; F443-A448 HydrophobicContact CD1-CB 3.98Å; F443-A448 HydrophobicContact CE1-CB 4.16Å; F443-A448 HydrophobicContact CG-CB 4.33Å; F443-A448 WeakPolarHBondContact O-CB 3.5Å; G445-A448 WeakPolarHBondContact O-CB 3.48Å; G445-A448 PolarHBondContact O-N 3.07Å; T446-A448 PolarHBondContact O-N 3.41Å; A448-P451 WeakPolarHBondContact O-CG 3.36Å; A448-M452 WeakPolarHBondContact O-CG 3.44Å
449	A	95.1	Very high	90.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-70.5	-48.5	-179.8	0	0	0	0	0	112.5	V374 S375 A376 V397 V399 G445 T446 M452 F453	V374-A449 HydrophobicContact CG1-CB 3.94Å; S375-A449 VanDerWaalsContact O-CB 3.25Å; S375-A449 WeakPolarHBondContact O-CB 2.96Å; A376-A449 HydrophobicContact CB-CB 4.19Å; V397-A449 HydrophobicContact CB-CB 3.77Å; V397-A449 HydrophobicContact CG2-CB 4.09Å; V399-A449 HydrophobicContact CG1-CB 3.93Å; G445-A449 PolarHBondContact O-N 3.2Å; T446-A449 PolarHBondContact O-N 3.09Å; T446-A449 VanDerWaalsContact O-N 3.08Å; A449-M452 WeakPolarHBondContact O-CB 3.28Å; A449-M452 PolarHBondContact O-N 2.89Å; A449-F453 PolarHBondContact O-N 2.91Å
450	A	97.4	Very high	91.4	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-51.2	-51.9	179.6	0	0	0	0	0	114	I347 A349 T446 M452 F453 A454	I347-A450 HydrophobicContact CG2-CB 3.83Å; A349-A450 HydrophobicContact CB-CB 4.07Å; T446-A450 PolarHBondContact O-N 3.27Å; A450-M452 PolarHBondContact O-N 3.15Å; A450-F453 PolarHBondContact O-N 3.46Å; A450-A454 PolarHBondContact O-N 3.03Å
451	P	98	Very high	92.2	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-70.1	-27.9	179.4	25.2	-34.6	0	0	0	114.2	C255 L258 A259 S447 A448 F453 A454 G455	C255-P451 HydrophobicContact CB-CB 4.21Å; C255-P451 HydrophobicContact CB-CG 4.05Å; C255-P451 WeakPolarHBondContact O-CB 3.44Å; L258-P451 HydrophobicContact CB-CB 4.06Å; L258-P451 HydrophobicContact CB-CG 3.97Å; L258-P451 HydrophobicContact CD1-CG 3.95Å; A259-P451 WeakPolarHBondContact CA-O 3.24Å; A259-P451 HydrophobicContact CB-CB 4.14Å; A259-P451 WeakPolarHBondContact CB-O 3.42Å; S447-P451 WeakPolarHBondContact O-CD 3.22Å; S447-P451 WeakPolarHBondContact O-CG 3.14Å; A448-P451 WeakPolarHBondContact O-CG 3.36Å; P451-F453 VanDerWaalsContact C-N 3.34Å; P451-A454 WeakPolarHBondContact O-CB 3.29Å; P451-A454 PolarHBondContact O-N 2.96Å; P451-G455 PolarHBondContact O-N 3.13Å
452	M	98	Very high	93.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.1	-48.5	170.3	-72.1	178.1	80.2	0	0	110.9	Q169 Y170 I185 V272 V397 V399 R430 A448 A449 A450 A454 G455 C456	Q169-M452 HydrophobicContact CB-CE 3.75Å; Y170-M452 HydrophobicContact CD1-CE 4.02Å; Y170-M452 HydrophobicContact CE1-CE 3.77Å; I185-M452 HydrophobicContact CD1-CE 3.89Å; I185-M452 HydrophobicContact CG1-CE 4.11Å; I185-M452 HydrophobicContact CG2-CE 3.96Å; V272-M452 HydrophobicContact CG2-CB 4.14Å; V272-M452 HydrophobicContact CG2-CG 4.2Å; V397-M452 HydrophobicContact CB-SD 4.46Å; V397-M452 HydrophobicContact CG1-CB 3.84Å; V397-M452 HydrophobicContact CG1-CE 3.66Å; V397-M452 HydrophobicContact CG1-CG 4.15Å; V397-M452 HydrophobicContact CG1-SD 3.26Å; V397-M452 WeakPolarHBondContact CG1-SD 3.32Å; V399-M452 HydrophobicContact CG1-SD 4.02Å; R430-M452 VanDerWaalsContact CZ-CG 3.41Å; R430-M452 PolarHBondContact NH1-SD 3.36Å; R430-M452 PolarHBondContact NH2-SD 2.98Å; A448-M452 WeakPolarHBondContact O-CG 3.44Å; A449-M452 WeakPolarHBondContact O-CB 3.28Å; A449-M452 PolarHBondContact O-N 2.89Å; A450-M452 PolarHBondContact O-N 3.15Å; M452-A454 VanDerWaalsContact C-N 3.27Å; M452-A454 PolarHBondContact O-N 3.04Å; M452-G455 CarbonylContact O-C 3.57Å; M452-G455 WeakPolarHBondContact O-CA 3.4Å; M452-G455 PolarHBondContact O-N 2.92Å; M452-C456 PolarHBondContact O-N 2.95Å
453	F	98.8	Very high	94.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.1	-38.2	-179	-179.7	-106.5	0	0	0	110.5	I347 I372 V374 V395 V397 A449 A450 P451 G455 C456 L457 L476 I508	I347-F453 HydrophobicContact CD1-CD1 3.66Å; I347-F453 HydrophobicContact CD1-CE1 4.08Å; I347-F453 HydrophobicContact CG1-CD1 4.05Å; I347-F453 HydrophobicContact CG1-CE1 4.23Å; I347-F453 HydrophobicContact CG2-CD1 4.46Å; I372-F453 HydrophobicContact CG2-CD1 4.45Å; I372-F453 HydrophobicContact CG2-CE1 3.66Å; I372-F453 HydrophobicContact CG2-CZ 4.27Å; V374-F453 HydrophobicContact CG1-CB 4.01Å; V374-F453 HydrophobicContact CG1-CG 4.45Å; V374-F453 HydrophobicContact CG2-CB 4.11Å; V374-F453 HydrophobicContact CG2-CD1 3.44Å; V374-F453 VanDerWaalsContact CG2-CD1 3.44Å; V374-F453 HydrophobicContact CG2-CE1 4.12Å; V374-F453 HydrophobicContact CG2-CG 3.93Å; V395-F453 HydrophobicContact CG1-CE2 4.46Å; V395-F453 HydrophobicContact CG2-CD1 4.28Å; V395-F453 HydrophobicContact CG2-CD2 3.76Å; V395-F453 HydrophobicContact CG2-CE1 4.2Å; V395-F453 HydrophobicContact CG2-CE2 3.65Å; V395-F453 HydrophobicContact CG2-CG 4.07Å; V395-F453 HydrophobicContact CG2-CZ 3.87Å; V397-F453 HydrophobicContact CG2-CB 3.98Å; A449-F453 PolarHBondContact O-N 2.91Å; A450-F453 PolarHBondContact O-N 3.46Å; P451-F453 VanDerWaalsContact C-N 3.34Å; F453-G455 VanDerWaalsContact C-N 3.28Å; F453-G455 PolarHBondContact O-N 2.56Å; F453-C456 WeakPolarHBondContact O-CB 3.48Å; F453-C456 PolarHBondContact O-N 3.03Å; F453-L457 HydrophobicContact CD1-CD1 4.38Å; F453-L457 HydrophobicContact CD1-CG 4.31Å; F453-L457 HydrophobicContact CE1-CD1 3.67Å; F453-L457 HydrophobicContact CE1-CD2 4.06Å; F453-L457 HydrophobicContact CE1-CG 3.78Å; F453-L457 HydrophobicContact CE2-CD2 4.02Å; F453-L457 HydrophobicContact CE2-CG 4.35Å; F453-L457 HydrophobicContact CZ-CD1 4.05Å; F453-L457 HydrophobicContact CZ-CD2 3.58Å; F453-L457 HydrophobicContact CZ-CG 3.82Å; F453-L457 PolarHBondContact O-N 3.25Å; F453-L476 HydrophobicContact CE2-CD2 4Å; F453-L476 HydrophobicContact CZ-CD1 4.19Å; F453-L476 HydrophobicContact CZ-CD2 3.65Å; F453-I508 HydrophobicContact CD2-CB 4.33Å; F453-I508 HydrophobicContact CD2-CG1 4.1Å; F453-I508 HydrophobicContact CD2-CG2 4.29Å; F453-I508 HydrophobicContact CE2-CD1 4.11Å; F453-I508 HydrophobicContact CE2-CG1 4.04Å
454	A	98.9	Very high	95.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-55.8	-42.7	170.1	0	0	0	0	0	112.1	V202 I306 C308 I347 A450 P451 M452 L457 A458	V202-A454 HydrophobicContact CG1-CB 4.1Å; I306-A454 WeakPolarHBondContact CD1-O 3.46Å; I306-A454 HydrophobicContact CG2-CB 3.89Å; C308-A454 HydrophobicContact CB-CB 4.21Å; I347-A454 VanDerWaalsContact CD1-CA 3.4Å; I347-A454 HydrophobicContact CD1-CB 3.59Å; A450-A454 PolarHBondContact O-N 3.03Å; P451-A454 WeakPolarHBondContact O-CB 3.29Å; P451-A454 PolarHBondContact O-N 2.96Å; M452-A454 VanDerWaalsContact C-N 3.27Å; M452-A454 PolarHBondContact O-N 3.04Å; A454-L457 PolarHBondContact O-N 3.15Å; A454-A458 PolarHBondContact O-N 2.62Å
455	G	98.8	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.3	-41	172.5	0	0	0	0	0	113	V272 P451 M452 F453 L457 A458 L459	V272-G455 VanDerWaalsContact CG1-C 3.46Å; P451-G455 PolarHBondContact O-N 3.13Å; M452-G455 CarbonylContact O-C 3.57Å; M452-G455 WeakPolarHBondContact O-CA 3.4Å; M452-G455 PolarHBondContact O-N 2.92Å; F453-G455 VanDerWaalsContact C-N 3.28Å; F453-G455 PolarHBondContact O-N 2.56Å; G455-L457 VanDerWaalsContact C-N 3.31Å; G455-L457 PolarHBondContact O-N 2.79Å; G455-A458 WeakPolarHBondContact O-CB 3.22Å; G455-A458 PolarHBondContact O-N 3.16Å; G455-A458 VanDerWaalsContact O-N 3.14Å; G455-L459 WeakPolarHBondContact O-CG 3.39Å; G455-L459 PolarHBondContact O-N 3.34Å
456	C	98.9	Very high	97.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-38	175.8	-67.1	0	0	0	0	112.5	V272 M452 F453 L459 A460 C510 L513	V272-C456 HydrophobicContact CG1-CB 4.48Å; V272-C456 VanDerWaalsContact CG1-SG 3.58Å; M452-C456 PolarHBondContact O-N 2.95Å; F453-C456 WeakPolarHBondContact O-CB 3.48Å; F453-C456 PolarHBondContact O-N 3.03Å; C456-L459 PolarHBondContact O-N 2.63Å; C456-A460 PolarHBondContact O-N 3.37Å; C456-C510 HydrophobicContact CB-CB 3.77Å; C456-C510 WeakPolarHBondContact CB-SG 3.41Å; C456-C510 WeakPolarHBondContact SG-CB 3.29Å; C456-C510 CovalentContact SG-SG 2.02Å; C456-C510 PolarHBondContact SG-SG 3.48Å; C456-L513 HydrophobicContact CB-CD2 4.32Å
457	L	98.9	Very high	97.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.5	-39	172.5	-65.6	-163.4	0	0	0	112.1	I306 I345 I347 I372 F453 A454 G455 L459 A460 L461 I472 L513	I306-L457 HydrophobicContact CD1-CB 3.63Å; I306-L457 HydrophobicContact CG1-CB 4.4Å; I345-L457 HydrophobicContact CG2-CD1 3.56Å; I347-L457 HydrophobicContact CD1-CD1 3.9Å; I347-L457 HydrophobicContact CG1-CD1 4.41Å; I372-L457 HydrophobicContact CD1-CD1 4.4Å; F453-L457 HydrophobicContact CD1-CD1 4.38Å; F453-L457 HydrophobicContact CD1-CG 4.31Å; F453-L457 HydrophobicContact CE1-CD1 3.67Å; F453-L457 HydrophobicContact CE1-CD2 4.06Å; F453-L457 HydrophobicContact CE1-CG 3.78Å; F453-L457 HydrophobicContact CE2-CD2 4.02Å; F453-L457 HydrophobicContact CE2-CG 4.35Å; F453-L457 HydrophobicContact CZ-CD1 4.05Å; F453-L457 HydrophobicContact CZ-CD2 3.58Å; F453-L457 HydrophobicContact CZ-CG 3.82Å; F453-L457 PolarHBondContact O-N 3.25Å; A454-L457 PolarHBondContact O-N 3.15Å; G455-L457 VanDerWaalsContact C-N 3.31Å; G455-L457 PolarHBondContact O-N 2.79Å; L457-L459 VanDerWaalsContact C-N 3.3Å; L457-L459 PolarHBondContact O-N 2.78Å; L457-A460 PolarHBondContact O-N 2.83Å; L457-A460 VanDerWaalsContact O-N 3.16Å; L457-L461 WeakPolarHBondContact O-CB 3.29Å; L457-L461 VanDerWaalsContact O-CG 3.29Å; L457-L461 WeakPolarHBondContact O-CG 3.46Å; L457-L461 PolarHBondContact O-N 3.27Å; L457-I472 HydrophobicContact CD1-CG2 4.05Å; L457-I472 HydrophobicContact CD2-CG2 3.68Å; L457-L513 HydrophobicContact CD2-CD2 3.96Å
458	A	98.9	Very high	97.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.2	-40.6	173.8	0	0	0	0	0	111.9	T200 V202 A273 I306 A454 G455 L461 E462	T200-A458 WeakPolarHBondContact CG2-O 3.49Å; T200-A458 WeakPolarHBondContact OG1-CB 3.36Å; V202-A458 HydrophobicContact CG2-CB 3.94Å; A273-A458 HydrophobicContact CB-CB 3.64Å; I306-A458 HydrophobicContact CD1-CB 4.12Å; A454-A458 PolarHBondContact O-N 2.62Å; G455-A458 WeakPolarHBondContact O-CB 3.22Å; G455-A458 PolarHBondContact O-N 3.16Å; G455-A458 VanDerWaalsContact O-N 3.14Å; A458-L461 PolarHBondContact O-N 3.21Å; A458-E462 PolarHBondContact O-N 2.96Å
459	L	98.9	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-43	173.3	-62	169.9	0	0	0	112	L187 I190 F191 V195 T196 V272 A273 G455 C456 L457 L461 E462 A463 V514	L187-L459 HydrophobicContact CD1-CD1 3.57Å; I190-L459 HydrophobicContact CD1-CD1 3.71Å; I190-L459 HydrophobicContact CG2-CB 4.43Å; I190-L459 HydrophobicContact CG2-CD1 4.21Å; I190-L459 HydrophobicContact CG2-CD2 4.14Å; F191-L459 HydrophobicContact CE1-CD2 4.43Å; V195-L459 HydrophobicContact CG1-CB 4.18Å; V195-L459 HydrophobicContact CG1-CD2 4.09Å; V195-L459 WeakPolarHBondContact CG1-O 3.49Å; T196-L459 VanDerWaalsContact C-CD2 3.48Å; V272-L459 HydrophobicContact CG1-CD1 3.93Å; A273-L459 HydrophobicContact CB-CD2 4.4Å; A273-L459 HydrophobicContact CB-CG 4.36Å; G455-L459 WeakPolarHBondContact O-CG 3.39Å; G455-L459 PolarHBondContact O-N 3.34Å; C456-L459 PolarHBondContact O-N 2.63Å; L457-L459 VanDerWaalsContact C-N 3.3Å; L457-L459 PolarHBondContact O-N 2.78Å; L459-L461 VanDerWaalsContact C-N 3.34Å; L459-E462 PolarHBondContact O-N 3.22Å; L459-A463 PolarHBondContact O-N 3.04Å; L459-A463 VanDerWaalsContact O-N 3.15Å; L459-V514 HydrophobicContact CB-CG2 3.8Å
460	A	98.8	Very high	97.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-64.7	-38.2	177.6	0	0	0	0	0	112.4	C456 L457 A463 N464 L513 A517	C456-A460 PolarHBondContact O-N 3.37Å; L457-A460 PolarHBondContact O-N 2.83Å; L457-A460 VanDerWaalsContact O-N 3.16Å; A460-A463 WeakPolarHBondContact O-CB 3.38Å; A460-A463 PolarHBondContact O-N 2.69Å; A460-N464 PolarHBondContact O-N 2.82Å; A460-L513 HydrophobicContact CB-CD2 3.95Å; A460-L513 HydrophobicContact CB-CG 3.9Å; A460-A517 HydrophobicContact CB-CB 4.18Å
461	L	98.7	Very high	97.9	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-71.9	-33.4	177.3	-72.8	-179.2	0	0	0	113.1	T200 N305 I306 R339 I345 L457 A458 L459 A463 N464 P465 L467 I472	T200-L461 HydrophobicContact CG2-CB 3.71Å; N305-L461 HydrophobicContact CB-CD1 3.83Å; I306-L461 HydrophobicContact CD1-CD1 3.87Å; I306-L461 HydrophobicContact CG1-CD1 4.06Å; R339-L461 VanDerWaalsContact NH2-CD2 3.31Å; I345-L461 HydrophobicContact CD1-CD1 3.73Å; I345-L461 HydrophobicContact CD1-CD2 4.41Å; I345-L461 HydrophobicContact CD1-CG 4.45Å; L457-L461 WeakPolarHBondContact O-CB 3.29Å; L457-L461 VanDerWaalsContact O-CG 3.29Å; L457-L461 WeakPolarHBondContact O-CG 3.46Å; L457-L461 PolarHBondContact O-N 3.27Å; A458-L461 PolarHBondContact O-N 3.21Å; L459-L461 VanDerWaalsContact C-N 3.34Å; L461-A463 VanDerWaalsContact C-N 3.26Å; L461-N464 CarbonylContact O-C 3.59Å; L461-P465 VanDerWaalsContact O-CA 3.24Å; L461-P465 WeakPolarHBondContact O-CA 3.49Å; L461-P465 WeakPolarHBondContact O-CD 3.12Å; L461-P465 WeakPolarHBondContact O-CG 3.01Å; L461-L467 HydrophobicContact CD2-CB 4.17Å; L461-I472 HydrophobicContact CD2-CD1 4.06Å
462	E	98.6	Very high	97.9	Very high	40 Å²	40	15.7 Å²	15.7	19%	0.187	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-41	168.1	176.9	176	-178.5	0	0	110.1	V195 T196 G197 R198 A458 L459	V195-E462 HydrophobicContact CG1-CB 4.21Å; V195-E462 HydrophobicContact CG1-CG 4.29Å; T196-E462 PolarHBondContact N-OE2 3.38Å; G197-E462 WeakPolarHBondContact CA-OE2 3.45Å; G197-E462 PolarHBondContact N-OE2 2.79Å; R198-E462 IonicContact CZ-OE1 3.19Å; R198-E462 VanDerWaalsContact CZ-OE1 3.28Å; R198-E462 PolarHBondContact N-OE2 2.71Å; R198-E462 IonicContact NE-OE1 3.34Å; R198-E462 PolarHBondContact NE-OE1 3.49Å; R198-E462 IonicContact NH2-OE1 2.87Å; R198-E462 PolarHBondContact NH2-OE1 2.98Å; A458-E462 PolarHBondContact O-N 2.96Å; L459-E462 PolarHBondContact O-N 3.22Å
463	A	97.9	Very high	97.9	Very high	26 Å²	26	16 Å²	16	22%	0.215	9%	0.086	C	C	.	.	H	α-helix	trans	-69.6	-33.4	-178.3	0	0	0	0	0	113.3	L459 A460 L461 V514 K518	L459-A463 PolarHBondContact O-N 3.04Å; L459-A463 VanDerWaalsContact O-N 3.15Å; A460-A463 WeakPolarHBondContact O-CB 3.38Å; A460-A463 PolarHBondContact O-N 2.69Å; L461-A463 VanDerWaalsContact C-N 3.26Å; A463-V514 HydrophobicContact CB-CG1 3.89Å; A463-K518 HydrophobicContact CB-CG 3.77Å
464	N	97.8	Very high	97.8	Very high	27 Å²	27	16.2 Å²	16.2	14%	0.144	9%	0.087	C	C	.	.			trans	-147.3	95.6	172.4	-174.9	-9.4	0	0	0	111	A460 L461 Q466 L467 A517	A460-N464 PolarHBondContact O-N 2.82Å; L461-N464 CarbonylContact O-C 3.59Å; N464-Q466 PolarHBondContact O-N 3.11Å; N464-Q466 PolarHBondContact OD1-N 3.5Å; N464-Q466 VanDerWaalsContact OD1-N 3.14Å; N464-L467 HydrophobicContact CB-CD1 4.07Å; N464-L467 HydrophobicContact CB-CG 3.89Å; N464-L467 WeakPolarHBondContact O-CG 3.47Å; N464-L467 PolarHBondContact O-N 3.15Å; N464-A517 VanDerWaalsContact CB-O 3.31Å; N464-A517 WeakPolarHBondContact CB-O 3.42Å; N464-A517 PolarHBondContact ND2-O 3.48Å
465	P	97.3	Very high	97.8	Very high	76 Å²	76	16.2 Å²	16.2	49%	0.494	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.5	-178.2	-24.1	34.4	0	0	0	114.8	R339 L342 L461 L467	R339-P465 PolarHBondContact NH2-O 3.4Å; R339-P465 VanDerWaalsContact NH2-O 3.12Å; L342-P465 WeakPolarHBondContact CD1-O 3.49Å; L461-P465 VanDerWaalsContact O-CA 3.24Å; L461-P465 WeakPolarHBondContact O-CA 3.49Å; L461-P465 WeakPolarHBondContact O-CD 3.12Å; L461-P465 WeakPolarHBondContact O-CG 3.01Å; P465-L467 VanDerWaalsContact C-N 3.32Å
466	Q	96.3	Very high	97.8	Very high	116 Å²	116	16.2 Å²	16.2	54%	0.542	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.3	-177.7	-60.1	-57.8	-60.2	0	0	113.3	N464 T468	N464-Q466 PolarHBondContact O-N 3.11Å; N464-Q466 PolarHBondContact OD1-N 3.5Å; N464-Q466 VanDerWaalsContact OD1-N 3.14Å; Q466-T468 PolarHBondContact O-N 3.28Å
467	L	97.7	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.			trans	-58.7	125	176.4	-67.2	175.3	0	0	0	110.6	R339 L461 N464 P465 D471 I472 L475 A517 W520 L522	R339-L467 PolarHBondContact NH1-O 3.37Å; R339-L467 PolarHBondContact NH2-O 3.35Å; L461-L467 HydrophobicContact CD2-CB 4.17Å; N464-L467 HydrophobicContact CB-CD1 4.07Å; N464-L467 HydrophobicContact CB-CG 3.89Å; N464-L467 WeakPolarHBondContact O-CG 3.47Å; N464-L467 PolarHBondContact O-N 3.15Å; P465-L467 VanDerWaalsContact C-N 3.32Å; L467-D471 HydrophobicContact CB-CB 4.33Å; L467-D471 HydrophobicContact CD2-CB 3.75Å; L467-I472 HydrophobicContact CB-CG1 4.44Å; L467-L475 HydrophobicContact CD1-CD1 3.97Å; L467-L475 HydrophobicContact CD2-CD1 4.27Å; L467-A517 HydrophobicContact CD1-CB 3.72Å; L467-W520 HydrophobicContact CD2-CB 4.09Å; L467-W520 HydrophobicContact CD2-CG 4.03Å; L467-L522 HydrophobicContact CD2-CD2 4.43Å
468	T	96.9	Very high	97.7	Very high	6 Å²	6	17.8 Å²	17.8	4%	0.037	10%	0.095	C	C	.	.			trans	-75.4	164.9	169.2	69.3	0	0	0	0	110.5	L342 Q466 R470 D471 I472 A606	L342-T468 HydrophobicContact CD2-CG2 4Å; L342-T468 CarbonylContact O-C 3.58Å; L342-T468 WeakPolarHBondContact O-CA 3.34Å; L342-T468 WeakPolarHBondContact O-CB 3.44Å; Q466-T468 PolarHBondContact O-N 3.28Å; T468-R470 PolarHBondContact O-N 3.21Å; T468-R470 VanDerWaalsContact O-N 3.16Å; T468-R470 PolarHBondContact OG1-N 2.99Å; T468-D471 VanDerWaalsContact CB-OD2 3.29Å; T468-D471 WeakPolarHBondContact CB-OD2 3.29Å; T468-D471 WeakPolarHBondContact CG2-OD2 3.2Å; T468-D471 PolarHBondContact N-OD2 3.08Å; T468-D471 PolarHBondContact O-N 3.03Å; T468-D471 PolarHBondContact OG1-N 3.31Å; T468-D471 PolarHBondContact OG1-OD2 3.44Å; T468-I472 PolarHBondContact O-N 2.85Å; T468-I472 VanDerWaalsContact O-N 3.16Å; T468-A606 HydrophobicContact CG2-CB 3.78Å
469	W	96.1	Very high	97.6	Very high	27 Å²	27	17.8 Å²	17.8	10%	0.102	10%	0.095	C	C	.	.	H	α-helix	trans	-54.3	-30.3	169.5	71	-89	0	0	0	112.1	L335 L342 I345 S473 L526 Y603	L335-W469 HydrophobicContact CD2-CD2 4Å; L335-W469 HydrophobicContact CD2-CE3 4.17Å; L335-W469 HydrophobicContact CD2-CH2 3.93Å; L335-W469 HydrophobicContact CD2-CZ2 3.74Å; L335-W469 HydrophobicContact CD2-CZ3 4.14Å; L335-W469 HydrophobicContact CG-CD2 3.93Å; L335-W469 HydrophobicContact CG-CE3 4.47Å; L335-W469 HydrophobicContact CG-CG 4.18Å; L335-W469 HydrophobicContact CG-CZ2 4.31Å; L342-W469 PolarHBondContact O-N 2.79Å; I345-W469 HydrophobicContact CG1-CB 4.2Å; W469-S473 PolarHBondContact O-N 3.11Å; W469-S473 PolarHBondContact O-OG 3.38Å; W469-S473 VanDerWaalsContact O-OG 3.12Å; W469-L526 HydrophobicContact CH2-CD2 4.35Å; W469-L526 HydrophobicContact CZ2-CD2 4.3Å; W469-Y603 AromaticContact CZ2-CD2 3.94Å; W469-Y603 HydrophobicContact CZ2-CD2 3.94Å
470	R	95.4	Very high	97.6	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-79.3	-39.6	-178.8	-158	173.5	116.3	-119.8	-3.3	112	T468 I472 S473 H474 I523 G524 P525 E621	T468-R470 PolarHBondContact O-N 3.21Å; T468-R470 VanDerWaalsContact O-N 3.16Å; T468-R470 PolarHBondContact OG1-N 2.99Å; R470-I472 VanDerWaalsContact C-N 3.26Å; R470-I472 PolarHBondContact O-N 2.75Å; R470-S473 WeakPolarHBondContact O-CA 3.5Å; R470-S473 WeakPolarHBondContact O-CB 3.4Å; R470-S473 PolarHBondContact O-N 2.88Å; R470-H474 PolarHBondContact O-CD2 2.79Å; R470-H474 PolarHBondContact O-N 3.34Å; R470-I523 HydrophobicContact CB-CD1 3.95Å; R470-I523 HydrophobicContact CG-CD1 3.68Å; R470-I523 VanDerWaalsContact NE-CD1 3.35Å; R470-G524 PolarHBondContact NH1-O 2.66Å; R470-G524 PolarHBondContact NH2-O 2.62Å; R470-P525 PolarHBondContact NH2-O 3.4Å; R470-E621 WeakPolarHBondContact CD-OE2 3.24Å; R470-E621 IonicContact CZ-OE1 3.96Å; R470-E621 IonicContact NE-OE1 3.28Å; R470-E621 PolarHBondContact NE-OE1 3.38Å; R470-E621 IonicContact NE-OE2 3.84Å; R470-E621 PolarHBondContact NE-OE2 2.99Å; R470-E621 IonicContact NH2-OE1 3.72Å; R470-E621 PolarHBondContact NH2-OE1 2.77Å
471	D	97.2	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.3	-41.5	171.6	-65.1	-66.9	0	0	0	111.2	L467 T468 S473 H474 L475 W520 L522 I523	L467-D471 HydrophobicContact CB-CB 4.33Å; L467-D471 HydrophobicContact CD2-CB 3.75Å; T468-D471 VanDerWaalsContact CB-OD2 3.29Å; T468-D471 WeakPolarHBondContact CB-OD2 3.29Å; T468-D471 WeakPolarHBondContact CG2-OD2 3.2Å; T468-D471 PolarHBondContact N-OD2 3.08Å; T468-D471 PolarHBondContact O-N 3.03Å; T468-D471 PolarHBondContact OG1-N 3.31Å; T468-D471 PolarHBondContact OG1-OD2 3.44Å; D471-S473 VanDerWaalsContact C-N 3.3Å; D471-S473 PolarHBondContact O-N 2.82Å; D471-H474 WeakPolarHBondContact O-CB 3.3Å; D471-H474 PolarHBondContact O-N 2.88Å; D471-H474 VanDerWaalsContact O-N 3.15Å; D471-L475 WeakPolarHBondContact O-CG 3.3Å; D471-L475 PolarHBondContact O-N 3.29Å; D471-W520 PolarHBondContact OD1-NE1 3.03Å; D471-L522 WeakPolarHBondContact OD1-CA 3.48Å; D471-L522 WeakPolarHBondContact OD2-CD2 3.48Å; D471-I523 WeakPolarHBondContact OD1-CG1 3.35Å; D471-I523 PolarHBondContact OD1-N 3.17Å; D471-I523 VanDerWaalsContact OD1-N 3.16Å
472	I	97.8	Very high	97.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-57.6	-45.9	173.8	-73.2	160.5	0	0	0	110.7	I345 I372 L457 L461 L467 T468 R470 H474 L475 L476	I345-I472 HydrophobicContact CD1-CD1 3.2Å; I345-I472 HydrophobicContact CG1-CD1 3.76Å; I372-I472 HydrophobicContact CD1-CG2 3.96Å; L457-I472 HydrophobicContact CD1-CG2 4.05Å; L457-I472 HydrophobicContact CD2-CG2 3.68Å; L461-I472 HydrophobicContact CD2-CD1 4.06Å; L467-I472 HydrophobicContact CB-CG1 4.44Å; T468-I472 PolarHBondContact O-N 2.85Å; T468-I472 VanDerWaalsContact O-N 3.16Å; R470-I472 VanDerWaalsContact C-N 3.26Å; R470-I472 PolarHBondContact O-N 2.75Å; I472-H474 VanDerWaalsContact C-N 3.27Å; I472-H474 PolarHBondContact O-N 2.92Å; I472-L475 WeakPolarHBondContact O-CB 3.21Å; I472-L475 PolarHBondContact O-N 2.94Å; I472-L476 HydrophobicContact CG2-CD2 4.27Å; I472-L476 VanDerWaalsContact O-CG 3.28Å; I472-L476 WeakPolarHBondContact O-CG 3.11Å; I472-L476 PolarHBondContact O-N 3.25Å
473	S	96.9	Very high	97.4	Very high	5 Å²	5	16.6 Å²	16.6	4%	0.035	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-37.3	178.4	-59.1	0	0	0	0	112.2	W469 R470 D471 L475 P477	W469-S473 PolarHBondContact O-N 3.11Å; W469-S473 PolarHBondContact O-OG 3.38Å; W469-S473 VanDerWaalsContact O-OG 3.12Å; R470-S473 WeakPolarHBondContact O-CA 3.5Å; R470-S473 WeakPolarHBondContact O-CB 3.4Å; R470-S473 PolarHBondContact O-N 2.88Å; D471-S473 VanDerWaalsContact C-N 3.3Å; D471-S473 PolarHBondContact O-N 2.82Å; S473-L475 VanDerWaalsContact C-N 3.34Å; S473-P477 WeakPolarHBondContact O-CD 3.09Å
474	H	97.3	Very high	97.2	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.023	8%	0.079	C	C	.	.	H	α-helix	trans	-68.6	-27.9	173.4	-84.7	-87.1	0	0	0	113.7	R470 D471 I472 W520 I523 E621 W674	R470-H474 PolarHBondContact O-CD2 2.79Å; R470-H474 PolarHBondContact O-N 3.34Å; D471-H474 WeakPolarHBondContact O-CB 3.3Å; D471-H474 PolarHBondContact O-N 2.88Å; D471-H474 VanDerWaalsContact O-N 3.15Å; I472-H474 VanDerWaalsContact C-N 3.27Å; I472-H474 PolarHBondContact O-N 2.92Å; H474-W520 HydrophobicContact CB-CH2 3.98Å; H474-W520 HydrophobicContact CB-CZ2 3.57Å; H474-I523 WeakPolarHBondContact CD2-CD1 3.43Å; H474-I523 WeakPolarHBondContact NE2-CD1 3.48Å; H474-E621 IonicContact CD2-OE1 3.31Å; H474-E621 IonicContact CE1-OE1 2.65Å; H474-E621 PolarHBondContact CE1-OE1 3.37Å; H474-E621 IonicContact NE2-OE1 2.82Å; H474-E621 PolarHBondContact NE2-OE1 3.09Å; H474-E621 IonicContact NE2-OE2 3.85Å; H474-W674 HydrophobicContact CB-CZ2 4.25Å; H474-W674 AromaticContact CD2-CZ2 3.5Å; H474-W674 VanDerWaalsContact CD2-CZ2 3.5Å; H474-W674 WeakPolarHBondContact CD2-CZ2 3.42Å; H474-W674 AromaticContact CE1-CE2 3.93Å; H474-W674 AromaticContact CE1-CZ2 3.54Å; H474-W674 AromaticContact CE1-NE1 3.79Å; H474-W674 AromaticContact CG-CZ2 3.56Å; H474-W674 AromaticContact ND1-CE2 3.88Å; H474-W674 AromaticContact ND1-CZ2 3.6Å; H474-W674 AromaticContact ND1-NE1 3.54Å; H474-W674 AromaticContact NE2-CZ2 3.5Å
475	L	98.3	Very high	97	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-73.7	-32.2	179.3	-74	166.3	0	0	0	112.5	L467 D471 I472 S473 W478 S479 L513 L516 A517 W520	L467-L475 HydrophobicContact CD1-CD1 3.97Å; L467-L475 HydrophobicContact CD2-CD1 4.27Å; D471-L475 WeakPolarHBondContact O-CG 3.3Å; D471-L475 PolarHBondContact O-N 3.29Å; I472-L475 WeakPolarHBondContact O-CB 3.21Å; I472-L475 PolarHBondContact O-N 2.94Å; S473-L475 VanDerWaalsContact C-N 3.34Å; L475-W478 PolarHBondContact O-N 3.43Å; L475-S479 PolarHBondContact O-N 2.66Å; L475-S479 PolarHBondContact O-OG 3.31Å; L475-S479 VanDerWaalsContact O-OG 3.09Å; L475-L513 HydrophobicContact CB-CD1 3.79Å; L475-L513 HydrophobicContact CD1-CD1 4.12Å; L475-L513 HydrophobicContact CG-CD1 4.49Å; L475-L516 HydrophobicContact CD2-CB 3.49Å; L475-L516 VanDerWaalsContact CD2-CB 3.49Å; L475-L516 HydrophobicContact CD2-CD1 4.38Å; L475-A517 HydrophobicContact CD1-CB 4.36Å; L475-W520 HydrophobicContact CD2-CD2 3.76Å; L475-W520 HydrophobicContact CD2-CE3 3.35Å; L475-W520 HydrophobicContact CD2-CG 4.37Å; L475-W520 HydrophobicContact CD2-CH2 4.31Å; L475-W520 HydrophobicContact CD2-CZ3 3.64Å; L475-W520 HydrophobicContact CG-CD2 4.22Å; L475-W520 HydrophobicContact CG-CE3 4.21Å; L475-W520 HydrophobicContact CG-CZ3 4.41Å
476	L	98.5	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.6	-47.1	-169.2	-53.3	-175.2	0	0	0	114.5	I372 R394 V395 F453 I472 W478 S479 S480 Y505	I372-L476 HydrophobicContact CD1-CD1 4.43Å; I372-L476 HydrophobicContact CG2-CD1 4.12Å; R394-L476 HydrophobicContact CB-CD1 3.76Å; R394-L476 HydrophobicContact CG-CD1 4.35Å; V395-L476 HydrophobicContact CG1-CB 3.84Å; V395-L476 HydrophobicContact CG1-CD1 4.04Å; V395-L476 HydrophobicContact CG1-CD2 4.28Å; V395-L476 HydrophobicContact CG1-CG 4.24Å; F453-L476 HydrophobicContact CE2-CD2 4Å; F453-L476 HydrophobicContact CZ-CD1 4.19Å; F453-L476 HydrophobicContact CZ-CD2 3.65Å; I472-L476 HydrophobicContact CG2-CD2 4.27Å; I472-L476 VanDerWaalsContact O-CG 3.28Å; I472-L476 WeakPolarHBondContact O-CG 3.11Å; I472-L476 PolarHBondContact O-N 3.25Å; L476-W478 PolarHBondContact O-N 2.81Å; L476-W478 VanDerWaalsContact O-N 3.13Å; L476-S479 WeakPolarHBondContact CA-OG 3.33Å; L476-S479 PolarHBondContact O-N 2.73Å; L476-S479 PolarHBondContact O-OG 3.25Å; L476-S480 WeakPolarHBondContact O-CB 3.26Å; L476-S480 PolarHBondContact O-N 3.17Å; L476-S480 PolarHBondContact O-OG 2.99Å; L476-Y505 HydrophobicContact CB-CD2 4.11Å
477	P	98	Very high	96.5	Very high	14 Å²	14	8.4 Å²	8.4	9%	0.091	4%	0.044	C	C	.	.	H	α-helix	trans	-58.3	-28.5	177.9	-19.8	28.9	0	0	0	113.9	S473 L497 Y505	S473-P477 WeakPolarHBondContact O-CD 3.09Å; P477-L497 HydrophobicContact CB-CD1 3.84Å; P477-L497 HydrophobicContact CB-CD2 3.89Å; P477-L497 HydrophobicContact CB-CG 4.36Å; P477-L497 HydrophobicContact CG-CD1 4.16Å; P477-Y505 HydrophobicContact CB-CD1 4.01Å; P477-Y505 HydrophobicContact CB-CD2 4.26Å; P477-Y505 HydrophobicContact CB-CE1 4.25Å; P477-Y505 HydrophobicContact CB-CE2 4.48Å; P477-Y505 HydrophobicContact CB-CG 4.04Å; P477-Y505 HydrophobicContact CG-CD1 4.11Å; P477-Y505 HydrophobicContact CG-CD2 3.82Å; P477-Y505 HydrophobicContact CG-CE1 3.95Å; P477-Y505 HydrophobicContact CG-CE2 3.64Å; P477-Y505 HydrophobicContact CG-CG 4.07Å
478	W	97.9	Very high	96.3	Very high	20 Å²	20	16.2 Å²	16.2	8%	0.076	8%	0.078	C	C	.	.	H	α-helix	trans	-95	-22.7	-175.4	-55.6	98.6	0	0	0	113	L475 L476 L497 R512 L516 F727 L734 L737 L738	L475-W478 PolarHBondContact O-N 3.43Å; L476-W478 PolarHBondContact O-N 2.81Å; L476-W478 VanDerWaalsContact O-N 3.13Å; W478-L497 HydrophobicContact CD2-CD2 4.42Å; W478-L497 HydrophobicContact CH2-CD2 3.92Å; W478-L497 HydrophobicContact CZ2-CD2 3.67Å; W478-L497 HydrophobicContact CZ3-CD2 4.39Å; W478-R512 WeakPolarHBondContact O-CD 3.43Å; W478-L516 HydrophobicContact CB-CD1 3.76Å; W478-F727 AromaticContact CH2-CD2 3.44Å; W478-F727 HydrophobicContact CH2-CD2 3.44Å; W478-F727 VanDerWaalsContact CH2-CD2 3.44Å; W478-F727 AromaticContact CH2-CE2 3.46Å; W478-F727 HydrophobicContact CH2-CE2 3.46Å; W478-F727 VanDerWaalsContact CH2-CE2 3.46Å; W478-F727 AromaticContact CZ2-CD2 3.36Å; W478-F727 HydrophobicContact CZ2-CD2 3.36Å; W478-F727 AromaticContact CZ2-CE2 3.92Å; W478-F727 HydrophobicContact CZ2-CE2 3.92Å; W478-F727 HydrophobicContact CZ2-CG 4.34Å; W478-F727 HydrophobicContact CZ3-CD2 4.47Å; W478-F727 HydrophobicContact CZ3-CE2 4.28Å; W478-L734 HydrophobicContact CB-CD2 3.8Å; W478-L734 HydrophobicContact CD2-CB 4.17Å; W478-L734 HydrophobicContact CD2-CD1 4.09Å; W478-L734 HydrophobicContact CD2-CD2 3.68Å; W478-L734 HydrophobicContact CD2-CG 4.19Å; W478-L734 HydrophobicContact CE3-CB 4.06Å; W478-L734 HydrophobicContact CE3-CD2 4.05Å; W478-L734 HydrophobicContact CG-CD1 4.25Å; W478-L734 HydrophobicContact CG-CD2 3.53Å; W478-L734 HydrophobicContact CG-CG 4.39Å; W478-L734 HydrophobicContact CH2-CB 4.26Å; W478-L734 HydrophobicContact CZ2-CB 4.37Å; W478-L734 HydrophobicContact CZ2-CD1 4.24Å; W478-L734 HydrophobicContact CZ3-CB 4.09Å; W478-L737 HydrophobicContact CB-CD1 4.22Å; W478-L737 HydrophobicContact CE3-CB 4.07Å; W478-L737 HydrophobicContact CE3-CD1 4.3Å; W478-L737 HydrophobicContact CZ3-CB 4.41Å; W478-L738 HydrophobicContact CH2-CD2 3.75Å; W478-L738 HydrophobicContact CH2-CG 4.2Å; W478-L738 HydrophobicContact CZ3-CD2 3.85Å; W478-L738 HydrophobicContact CZ3-CG 4.06Å
479	S	98.3	Very high	96.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-91.6	-10.1	174.5	58.9	0	0	0	0	114	L475 L476 I508 D509	L475-S479 PolarHBondContact O-N 2.66Å; L475-S479 PolarHBondContact O-OG 3.31Å; L475-S479 VanDerWaalsContact O-OG 3.09Å; L476-S479 WeakPolarHBondContact CA-OG 3.33Å; L476-S479 PolarHBondContact O-N 2.73Å; L476-S479 PolarHBondContact O-OG 3.25Å; S479-I508 VanDerWaalsContact OG-CD1 3.26Å; S479-I508 WeakPolarHBondContact OG-CD1 3.3Å; S479-D509 WeakPolarHBondContact O-CB 3.35Å; S479-D509 PolarHBondContact O-N 2.82Å
480	S	98.4	Very high	96.2	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	160	176.8	-76.8	0	0	0	0	112.6	V395 L476 Y505 G506 T507	V395-S480 WeakPolarHBondContact CG1-OG 3.32Å; L476-S480 WeakPolarHBondContact O-CB 3.26Å; L476-S480 PolarHBondContact O-N 3.17Å; L476-S480 PolarHBondContact O-OG 2.99Å; S480-Y505 WeakPolarHBondContact CB-O 3.31Å; S480-G506 PolarHBondContact OG-O 3.44Å; S480-G506 VanDerWaalsContact OG-O 3.05Å; S480-T507 CarbonylContact C-O 3.57Å; S480-T507 VanDerWaalsContact CA-O 3.32Å; S480-T507 WeakPolarHBondContact CA-O 3.2Å
481	R	97.8	Very high	96.3	Very high	12 Å²	12	16.5 Å²	16.5	5%	0.045	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.9	178.6	49.2	178.7	-176.8	155.3	-0.2	111.7	G182 D184 P483 G506 T507 Q766	G182-R481 PolarHBondContact O-NH1 2.63Å; G182-R481 PolarHBondContact O-NH2 3Å; D184-R481 PolarHBondContact O-NH2 3Å; D184-R481 IonicContact OD1-NH2 3.34Å; D184-R481 PolarHBondContact OD1-NH2 2.86Å; D184-R481 VanDerWaalsContact OD1-NH2 3.09Å; R481-P483 VanDerWaalsContact O-CD 3.31Å; R481-P483 WeakPolarHBondContact O-CD 3.41Å; R481-G506 CarbonylContact O-C 3.52Å; R481-G506 WeakPolarHBondContact O-CA 3.15Å; R481-T507 HydrophobicContact CG-CG2 4.24Å; R481-T507 WeakPolarHBondContact CG-O 3.25Å; R481-T507 PolarHBondContact N-O 3.44Å; R481-T507 PolarHBondContact O-N 3.24Å; R481-Q766 HydrophobicContact CB-CB 4.12Å
482	I	97.8	Very high	96.4	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.015	9%	0.088	C	C	.	.			trans	-59.1	120.2	168.8	-63	-173.7	0	0	0	107	N484 W490 F498 L754 I759 T762 F763	I482-N484 WeakPolarHBondContact CG2-O 3.42Å; I482-W490 HydrophobicContact CB-CZ2 4.34Å; I482-W490 HydrophobicContact CD1-CD2 3.98Å; I482-W490 HydrophobicContact CD1-CE3 4Å; I482-W490 HydrophobicContact CD1-CG 4.37Å; I482-W490 HydrophobicContact CD1-CZ3 4.48Å; I482-W490 HydrophobicContact CG1-CD2 4Å; I482-W490 HydrophobicContact CG1-CE3 3.85Å; I482-W490 HydrophobicContact CG1-CH2 4Å; I482-W490 HydrophobicContact CG1-CZ2 4.15Å; I482-W490 HydrophobicContact CG1-CZ3 3.85Å; I482-W490 HydrophobicContact CG2-CD2 4.42Å; I482-W490 HydrophobicContact CG2-CZ2 4.1Å; I482-F498 HydrophobicContact CD1-CD1 4.39Å; I482-F498 HydrophobicContact CD1-CG 4.34Å; I482-L754 HydrophobicContact CD1-CD2 4.41Å; I482-I759 HydrophobicContact CG2-CG2 4.31Å; I482-T762 HydrophobicContact CD1-CG2 3.54Å; I482-T762 HydrophobicContact CG1-CG2 4.33Å; I482-F763 HydrophobicContact CG2-CB 4.34Å; I482-F763 VanDerWaalsContact O-CD2 3.24Å; I482-F763 WeakPolarHBondContact O-CD2 3.23Å
483	P	96.2	Very high	96.4	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.026	9%	0.088	C	C	.	.			trans	-86.4	-15.7	-173.7	30.1	-31.6	0	0	0	114.4	L180 L183 I377 G381 R481 I503 T507 F763	L180-P483 VanDerWaalsContact CD2-O 3.28Å; L180-P483 WeakPolarHBondContact CD2-O 3.17Å; L183-P483 HydrophobicContact CD1-CB 3.62Å; I377-P483 HydrophobicContact CD1-CB 3.46Å; I377-P483 VanDerWaalsContact CD1-CB 3.46Å; I377-P483 HydrophobicContact CD1-CG 3.63Å; G381-P483 VanDerWaalsContact O-CG 3.27Å; G381-P483 WeakPolarHBondContact O-CG 3.17Å; R481-P483 VanDerWaalsContact O-CD 3.31Å; R481-P483 WeakPolarHBondContact O-CD 3.41Å; P483-I503 HydrophobicContact CG-CD1 4.3Å; P483-I503 HydrophobicContact CG-CG2 4.21Å; P483-T507 HydrophobicContact CB-CG2 4.45Å; P483-F763 WeakPolarHBondContact O-CE2 3.4Å
484	N	94.1	Very high	96.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.			trans	-140.1	131	-173.6	-178.2	-52.3	0	0	0	110.7	M134 L380 G381 Q382 I482 T486 D487	M134-N484 WeakPolarHBondContact CE-ND2 3.41Å; L380-N484 PolarHBondContact O-ND2 2.88Å; G381-N484 WeakPolarHBondContact O-CB 3.31Å; Q382-N484 VanDerWaalsContact CG-ND2 3.28Å; Q382-N484 WeakPolarHBondContact CG-ND2 3.28Å; I482-N484 WeakPolarHBondContact CG2-O 3.42Å; N484-T486 VanDerWaalsContact C-N 3.32Å; N484-T486 PolarHBondContact O-N 2.83Å; N484-T486 WeakPolarHBondContact OD1-CA 3.31Å; N484-T486 PolarHBondContact OD1-N 2.99Å; N484-T486 PolarHBondContact OD1-OG1 2.8Å; N484-D487 HydrophobicContact CB-CB 3.89Å; N484-D487 PolarHBondContact OD1-N 3.36Å
485	P	93.4	Very high	96.5	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.019	9%	0.091	C	C	.	.	S	Bend	trans	-75.8	-10.9	-176.5	29.3	-34.8	0	0	0	115.3	M134 K760 F763	M134-P485 HydrophobicContact CB-CG 4.31Å; M134-P485 HydrophobicContact CG-CG 4.42Å; P485-K760 HydrophobicContact CB-CG 4.43Å; P485-F763 HydrophobicContact CB-CB 4.21Å; P485-F763 HydrophobicContact CB-CD1 3.7Å; P485-F763 HydrophobicContact CB-CD2 4.45Å; P485-F763 HydrophobicContact CB-CE1 4.18Å; P485-F763 HydrophobicContact CB-CG 3.86Å; P485-F763 HydrophobicContact CG-CD1 4.24Å; P485-F763 HydrophobicContact CG-CE1 4.21Å
486	T	92.3	Very high	96.5	Very high	51 Å²	51	16.9 Å²	16.9	31%	0.313	9%	0.092	S	C	.	.	S	Bend	trans	-123.1	-5.8	-174.5	61.9	0	0	0	0	113.8	E133 M134 N484	E133-T486 HydrophobicContact CB-CG2 4.4Å; E133-T486 HydrophobicContact CG-CG2 4.46Å; E133-T486 WeakPolarHBondContact O-CG2 3.32Å; M134-T486 HydrophobicContact CG-CG2 4.15Å; N484-T486 VanDerWaalsContact C-N 3.32Å; N484-T486 PolarHBondContact O-N 2.83Å; N484-T486 WeakPolarHBondContact OD1-CA 3.31Å; N484-T486 PolarHBondContact OD1-N 2.99Å; N484-T486 PolarHBondContact OD1-OG1 2.8Å
487	D	90.4	Very high	96.4	Very high	20 Å²	20	17.4 Å²	17.4	11%	0.107	10%	0.095	C	C	.	.			trans	-67.7	132	178.9	-165.4	22	0	0	0	110.7	N484 W490 I503 I759	N484-D487 HydrophobicContact CB-CB 3.89Å; N484-D487 PolarHBondContact OD1-N 3.36Å; D487-W490 VanDerWaalsContact O-CD1 3.3Å; D487-I503 WeakPolarHBondContact OD2-CD1 3.36Å; D487-I759 WeakPolarHBondContact O-CD1 3.5Å
488	K	92.5	Very high	96.5	Very high	163 Å²	163	17.5 Å²	17.5	71%	0.709	9%	0.094	S	C	*	.			trans	-95.4	166	-173.8	-65.3	-177.8	-179.2	178.8	0	111	H500	K488-H500 PolarHBondContact O-CD2 2.95Å; K488-H500 PolarHBondContact O-NE2 3.05Å
489	G	94	Very high	96.5	Very high	26 Å²	26	16.7 Å²	16.7	27%	0.268	9%	0.091	S	C	.	.			trans	89.8	9.9	176.1	0	0	0	0	0	114.2	H500	G489-H500 VanDerWaalsContact C-CD2 3.41Å; G489-H500 PolarHBondContact O-CD2 2.93Å
490	W	98.1	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.			trans	-71.7	138.6	168.2	-75	89.7	0	0	0	109.8	I482 D487 F498 Y499 H500 I503 L754 I759	I482-W490 HydrophobicContact CB-CZ2 4.34Å; I482-W490 HydrophobicContact CD1-CD2 3.98Å; I482-W490 HydrophobicContact CD1-CE3 4Å; I482-W490 HydrophobicContact CD1-CG 4.37Å; I482-W490 HydrophobicContact CD1-CZ3 4.48Å; I482-W490 HydrophobicContact CG1-CD2 4Å; I482-W490 HydrophobicContact CG1-CE3 3.85Å; I482-W490 HydrophobicContact CG1-CH2 4Å; I482-W490 HydrophobicContact CG1-CZ2 4.15Å; I482-W490 HydrophobicContact CG1-CZ3 3.85Å; I482-W490 HydrophobicContact CG2-CD2 4.42Å; I482-W490 HydrophobicContact CG2-CZ2 4.1Å; D487-W490 VanDerWaalsContact O-CD1 3.3Å; W490-F498 HydrophobicContact CE3-CB 4.04Å; W490-F498 HydrophobicContact CZ3-CB 4.13Å; W490-Y499 WeakPolarHBondContact CA-O 3.3Å; W490-H500 HydrophobicContact CD2-CB 3.74Å; W490-H500 HydrophobicContact CE3-CB 3.79Å; W490-H500 HydrophobicContact CG-CB 4.35Å; W490-H500 HydrophobicContact CH2-CB 3.87Å; W490-H500 HydrophobicContact CZ2-CB 3.81Å; W490-H500 HydrophobicContact CZ3-CB 3.87Å; W490-H500 AromaticContact NE1-CD2 3.98Å; W490-I503 HydrophobicContact CH2-CB 4.36Å; W490-I503 HydrophobicContact CH2-CG2 4Å; W490-I503 HydrophobicContact CZ2-CB 4.28Å; W490-I503 HydrophobicContact CZ2-CD1 4.01Å; W490-I503 HydrophobicContact CZ2-CG2 4.03Å; W490-L754 HydrophobicContact CB-CB 4.3Å; W490-L754 HydrophobicContact CB-CD1 4.19Å; W490-L754 HydrophobicContact CB-CD2 4.22Å; W490-L754 HydrophobicContact CB-CG 4.49Å; W490-L754 WeakPolarHBondContact O-CD1 3.48Å; W490-L754 PolarHBondContact O-N 3.31Å; W490-I759 HydrophobicContact CB-CD1 4.43Å; W490-I759 HydrophobicContact CB-CG1 4.29Å
491	L	98.1	Very high	96.5	Very high	19 Å²	19	18.1 Å²	18.1	10%	0.099	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.8	167.8	69.4	82	0	0	0	110.3	N493 F498 Y499 T647 D648 V672 H752	L491-N493 HydrophobicContact CD1-CB 4.49Å; L491-F498 CarbonylContact O-C 3.59Å; L491-F498 VanDerWaalsContact O-CA 3.3Å; L491-F498 WeakPolarHBondContact O-CA 3.33Å; L491-Y499 PolarHBondContact N-O 2.89Å; L491-Y499 PolarHBondContact O-N 3.14Å; L491-T647 HydrophobicContact CD1-CG2 3.93Å; L491-D648 VanDerWaalsContact CD2-O 3.28Å; L491-D648 WeakPolarHBondContact CD2-O 3.43Å; L491-V672 HydrophobicContact CD1-CG1 3.68Å; L491-V672 HydrophobicContact CD2-CG1 3.85Å; L491-V672 HydrophobicContact CG-CG1 4.31Å; L491-H752 CarbonylContact C-O 3.56Å; L491-H752 VanDerWaalsContact CA-O 3.29Å; L491-H752 WeakPolarHBondContact CA-O 3.42Å; L491-H752 WeakPolarHBondContact CB-O 3.44Å
492	V	98.5	Very high	96.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.7	165.2	62.9	0	0	0	0	107.1	L497 F498 V741 A745 G751 H752 L754	V492-L497 CarbonylContact C-O 3.42Å; V492-L497 WeakPolarHBondContact CA-O 3.5Å; V492-F498 HydrophobicContact CB-CD1 3.99Å; V492-F498 HydrophobicContact CB-CE1 3.81Å; V492-F498 HydrophobicContact CG2-CD1 4.22Å; V492-F498 HydrophobicContact CG2-CE1 3.84Å; V492-F498 HydrophobicContact CG2-CZ 4.28Å; V492-V741 HydrophobicContact CB-CG1 4.3Å; V492-V741 HydrophobicContact CG1-CG1 4.03Å; V492-V741 HydrophobicContact CG2-CG1 4.47Å; V492-A745 HydrophobicContact CB-CB 4.43Å; V492-A745 HydrophobicContact CG1-CB 3.93Å; V492-A745 HydrophobicContact CG2-CB 3.61Å; V492-G751 CarbonylContact O-C 3.42Å; V492-G751 WeakPolarHBondContact O-CA 3.09Å; V492-H752 WeakPolarHBondContact CG1-CE1 3.4Å; V492-H752 WeakPolarHBondContact CG1-ND1 3.27Å; V492-H752 PolarHBondContact N-O 3.34Å; V492-H752 PolarHBondContact O-N 2.86Å; V492-L754 HydrophobicContact CB-CD1 3.9Å; V492-L754 HydrophobicContact CG1-CD1 4.14Å
493	N	98.5	Very high	96.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.107	C	C	.	.			trans	-89.6	171.6	176.8	81.3	-1	0	0	0	111.2	L491 A495 G496 L497 T647 V672 W674 E676 A745	L491-N493 HydrophobicContact CD1-CB 4.49Å; N493-A495 PolarHBondContact O-N 2.89Å; N493-A495 WeakPolarHBondContact OD1-CA 3.33Å; N493-A495 WeakPolarHBondContact OD1-CB 3.47Å; N493-A495 PolarHBondContact OD1-N 2.67Å; N493-G496 PolarHBondContact O-N 3.45Å; N493-G496 PolarHBondContact OD1-N 2.84Å; N493-G496 VanDerWaalsContact OD1-N 3.14Å; N493-L497 PolarHBondContact N-O 3.37Å; N493-L497 PolarHBondContact OD1-N 2.89Å; N493-T647 WeakPolarHBondContact CA-OG1 3.33Å; N493-T647 HydrophobicContact CB-CG2 3.7Å; N493-V672 WeakPolarHBondContact CB-O 3.43Å; N493-V672 PolarHBondContact ND2-O 3.42Å; N493-W674 PolarHBondContact ND2-O 3.19Å; N493-E676 WeakPolarHBondContact CB-OE1 3.15Å; N493-A745 WeakPolarHBondContact O-CB 3.44Å
494	G	97.7	Very high	96.5	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.031	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.8	178.4	0	0	0	0	0	115.1	T647 E676	G494-T647 PolarHBondContact N-OG1 3.37Å; G494-E676 PolarHBondContact N-OE1 3.03Å
495	A	97.2	Very high	96.7	Very high	12 Å²	12	20.2 Å²	20.2	10%	0.099	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	4	171.9	0	0	0	0	0	113	N493 W674 G675 E676	N493-A495 PolarHBondContact O-N 2.89Å; N493-A495 WeakPolarHBondContact OD1-CA 3.33Å; N493-A495 WeakPolarHBondContact OD1-CB 3.47Å; N493-A495 PolarHBondContact OD1-N 2.67Å; A495-W674 WeakPolarHBondContact CB-O 3.38Å; A495-G675 VanDerWaalsContact CB-C 3.49Å; A495-E676 HydrophobicContact CB-CG 4.34Å
496	G	97.7	Very high	97	Very high	2 Å²	2	20 Å²	20	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	79.4	16.1	179.8	0	0	0	0	0	114.9	N493 G742	N493-G496 PolarHBondContact O-N 3.45Å; N493-G496 PolarHBondContact OD1-N 2.84Å; N493-G496 VanDerWaalsContact OD1-N 3.14Å; G496-G742 VanDerWaalsContact CA-O 3.23Å; G496-G742 WeakPolarHBondContact CA-O 3.34Å; G496-G742 WeakPolarHBondContact O-CA 3.32Å
497	L	98.3	Very high	97.2	Very high	11 Å²	11	17.6 Å²	17.6	6%	0.058	9%	0.091	C	C	.	.			trans	-97.5	143.6	178.7	-59.1	178.9	0	0	0	111.2	P477 W478 V492 N493 W674	P477-L497 HydrophobicContact CB-CD1 3.84Å; P477-L497 HydrophobicContact CB-CD2 3.89Å; P477-L497 HydrophobicContact CB-CG 4.36Å; P477-L497 HydrophobicContact CG-CD1 4.16Å; W478-L497 HydrophobicContact CD2-CD2 4.42Å; W478-L497 HydrophobicContact CH2-CD2 3.92Å; W478-L497 HydrophobicContact CZ2-CD2 3.67Å; W478-L497 HydrophobicContact CZ3-CD2 4.39Å; V492-L497 CarbonylContact C-O 3.42Å; V492-L497 WeakPolarHBondContact CA-O 3.5Å; N493-L497 PolarHBondContact N-O 3.37Å; N493-L497 PolarHBondContact OD1-N 2.89Å; L497-W674 HydrophobicContact CD1-CB 4.19Å; L497-W674 HydrophobicContact CD1-CG 4.34Å; L497-W674 WeakPolarHBondContact CD1-O 3.42Å
498	F	98.5	Very high	97.6	Very high	16 Å²	16	16.7 Å²	16.7	7%	0.07	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.4	-178.3	-59	-74.6	0	0	0	111.6	I482 W490 L491 V492 Y505 T739 V741 L754 T762	I482-F498 HydrophobicContact CD1-CD1 4.39Å; I482-F498 HydrophobicContact CD1-CG 4.34Å; W490-F498 HydrophobicContact CE3-CB 4.04Å; W490-F498 HydrophobicContact CZ3-CB 4.13Å; L491-F498 CarbonylContact O-C 3.59Å; L491-F498 VanDerWaalsContact O-CA 3.3Å; L491-F498 WeakPolarHBondContact O-CA 3.33Å; V492-F498 HydrophobicContact CB-CD1 3.99Å; V492-F498 HydrophobicContact CB-CE1 3.81Å; V492-F498 HydrophobicContact CG2-CD1 4.22Å; V492-F498 HydrophobicContact CG2-CE1 3.84Å; V492-F498 HydrophobicContact CG2-CZ 4.28Å; F498-Y505 WeakPolarHBondContact O-CA 3.44Å; F498-Y505 WeakPolarHBondContact O-CD1 3.42Å; F498-T739 HydrophobicContact CE2-CG2 4.1Å; F498-T739 VanDerWaalsContact CE2-OG1 3.28Å; F498-T739 WeakPolarHBondContact CE2-OG1 3.41Å; F498-T739 WeakPolarHBondContact CZ-OG1 3.4Å; F498-V741 HydrophobicContact CE1-CB 4.17Å; F498-V741 HydrophobicContact CE1-CG1 3.87Å; F498-V741 HydrophobicContact CZ-CB 4.07Å; F498-V741 HydrophobicContact CZ-CG1 4.22Å; F498-L754 HydrophobicContact CD1-CD1 4.1Å; F498-L754 HydrophobicContact CD1-CD2 3.89Å; F498-L754 HydrophobicContact CE1-CD1 4.33Å; F498-L754 HydrophobicContact CE1-CD2 3.86Å; F498-T762 HydrophobicContact CD1-CG2 4.32Å; F498-T762 HydrophobicContact CD2-CG2 4.03Å; F498-T762 HydrophobicContact CE1-CG2 3.94Å; F498-T762 HydrophobicContact CE2-CG2 3.63Å; F498-T762 HydrophobicContact CG-CG2 4.37Å; F498-T762 HydrophobicContact CZ-CG2 3.6Å
499	Y	98.6	Very high	97.9	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.016	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.6	176.3	-169.4	-90.9	0	0	0	111.2	C390 S391 I393 W490 L491 G504 Y505 V671 V672	C390-Y499 PolarHBondContact O-OH 3.09Å; S391-Y499 VanDerWaalsContact CA-OH 3.22Å; S391-Y499 WeakPolarHBondContact CA-OH 3.29Å; S391-Y499 PolarHBondContact O-OH 2.96Å; I393-Y499 PolarHBondContact N-OH 3.17Å; I393-Y499 VanDerWaalsContact O-CE2 3.24Å; I393-Y499 WeakPolarHBondContact O-CE2 3.4Å; I393-Y499 PolarHBondContact O-OH 3.14Å; W490-Y499 WeakPolarHBondContact CA-O 3.3Å; L491-Y499 PolarHBondContact N-O 2.89Å; L491-Y499 PolarHBondContact O-N 3.14Å; Y499-G504 CarbonylContact C-O 3.04Å; Y499-G504 WeakPolarHBondContact CA-O 3.21Å; Y499-Y505 HydrophobicContact CD2-CD1 4.08Å; Y499-Y505 HydrophobicContact CD2-CE1 4.13Å; Y499-V671 HydrophobicContact CD2-CG2 4.16Å; Y499-V671 HydrophobicContact CE2-CG2 3.45Å; Y499-V671 VanDerWaalsContact CE2-CG2 3.45Å; Y499-V672 HydrophobicContact CD1-CB 4.33Å; Y499-V672 HydrophobicContact CD1-CG1 4Å; Y499-V672 HydrophobicContact CD1-CG2 3.55Å; Y499-V672 HydrophobicContact CD2-CG2 4.11Å; Y499-V672 HydrophobicContact CE1-CG2 3.49Å; Y499-V672 VanDerWaalsContact CE1-CG2 3.49Å; Y499-V672 HydrophobicContact CE2-CG2 4.03Å; Y499-V672 HydrophobicContact CG-CB 4.31Å; Y499-V672 HydrophobicContact CG-CG1 4.02Å; Y499-V672 HydrophobicContact CG-CG2 3.89Å
500	H	98.3	Very high	98.1	Very high	6 Å²	6	7.7 Å²	7.7	3%	0.028	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-137.3	131.9	171.2	178.9	-87	0	0	0	110.2	K488 G489 W490 Y502 I503 G504	K488-H500 PolarHBondContact O-CD2 2.95Å; K488-H500 PolarHBondContact O-NE2 3.05Å; G489-H500 VanDerWaalsContact C-CD2 3.41Å; G489-H500 PolarHBondContact O-CD2 2.93Å; W490-H500 HydrophobicContact CD2-CB 3.74Å; W490-H500 HydrophobicContact CE3-CB 3.79Å; W490-H500 HydrophobicContact CG-CB 4.35Å; W490-H500 HydrophobicContact CH2-CB 3.87Å; W490-H500 HydrophobicContact CZ2-CB 3.81Å; W490-H500 HydrophobicContact CZ3-CB 3.87Å; W490-H500 AromaticContact NE1-CD2 3.98Å; H500-Y502 AromaticContact CE1-CD2 3.49Å; H500-Y502 VanDerWaalsContact CE1-CD2 3.49Å; H500-Y502 WeakPolarHBondContact CE1-CD2 3.32Å; H500-Y502 PolarHBondContact ND1-N 3.03Å; H500-Y502 PolarHBondContact O-N 3.45Å; H500-I503 HydrophobicContact CB-CB 4.05Å; H500-I503 WeakPolarHBondContact ND1-CG1 3.26Å; H500-I503 PolarHBondContact ND1-N 3.36Å; H500-I503 PolarHBondContact O-N 3.16Å; H500-G504 PolarHBondContact N-O 3.06Å; H500-G504 PolarHBondContact O-N 2.87Å
501	P	97.5	Very high	98.1	Very high	25 Å²	25	7.7 Å²	7.7	16%	0.162	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24	-172.6	-28.4	35.3	0	0	0	116.6	P389 C390 I393 L650	P389-P501 VanDerWaalsContact CA-O 3.3Å; P389-P501 WeakPolarHBondContact CA-O 3.3Å; P389-P501 HydrophobicContact CB-CB 3.95Å; C390-P501 PolarHBondContact N-O 2.89Å; C390-P501 VanDerWaalsContact O-O 3.09Å; I393-P501 VanDerWaalsContact CD1-O 3.24Å; I393-P501 WeakPolarHBondContact CD1-O 3.37Å; P501-L650 HydrophobicContact CB-CD2 4.43Å
502	Y	97.1	Very high	98.1	Very high	56 Å²	56	7.2 Å²	7.2	22%	0.22	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.8	178	-60.9	-93.1	0	0	0	114	S375 K383 S387 P389 H500	S375-Y502 VanDerWaalsContact CB-O 3.22Å; S375-Y502 WeakPolarHBondContact CB-O 3.45Å; S375-Y502 PolarHBondContact OG-O 3.33Å; K383-Y502 HydrophobicContact CB-CD1 4.39Å; K383-Y502 HydrophobicContact CB-CG 4.09Å; K383-Y502 HydrophobicContact CD-CD1 3.83Å; K383-Y502 HydrophobicContact CD-CD2 3.6Å; K383-Y502 HydrophobicContact CD-CE1 3.92Å; K383-Y502 HydrophobicContact CD-CE2 3.72Å; K383-Y502 HydrophobicContact CD-CG 3.64Å; K383-Y502 PolarHBondContact NZ-OH 3.03Å; S387-Y502 WeakPolarHBondContact O-CE1 3.49Å; P389-Y502 HydrophobicContact CB-CD1 3.91Å; P389-Y502 HydrophobicContact CB-CD2 4.11Å; P389-Y502 HydrophobicContact CB-CE1 3.61Å; P389-Y502 HydrophobicContact CB-CE2 3.81Å; P389-Y502 HydrophobicContact CB-CG 4.18Å; P389-Y502 VanDerWaalsContact CD-CE1 3.43Å; P389-Y502 HydrophobicContact CG-CD1 4.41Å; P389-Y502 HydrophobicContact CG-CE1 3.68Å; P389-Y502 HydrophobicContact CG-CE2 4.36Å; H500-Y502 AromaticContact CE1-CD2 3.49Å; H500-Y502 VanDerWaalsContact CE1-CD2 3.49Å; H500-Y502 WeakPolarHBondContact CE1-CD2 3.32Å; H500-Y502 PolarHBondContact ND1-N 3.03Å; H500-Y502 PolarHBondContact O-N 3.45Å
503	I	97.6	Very high	98.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-16.3	-167.6	-56.7	174.5	0	0	0	111	I377 V395 S396 P483 D487 W490 H500	I377-I503 HydrophobicContact CG2-CD1 4.11Å; I377-I503 HydrophobicContact CG2-CG1 3.83Å; I377-I503 HydrophobicContact CG2-CG2 4.23Å; V395-I503 CarbonylContact C-O 3.58Å; S396-I503 PolarHBondContact N-O 3.5Å; S396-I503 WeakPolarHBondContact OG-CG2 3.14Å; P483-I503 HydrophobicContact CG-CD1 4.3Å; P483-I503 HydrophobicContact CG-CG2 4.21Å; D487-I503 WeakPolarHBondContact OD2-CD1 3.36Å; W490-I503 HydrophobicContact CH2-CB 4.36Å; W490-I503 HydrophobicContact CH2-CG2 4Å; W490-I503 HydrophobicContact CZ2-CB 4.28Å; W490-I503 HydrophobicContact CZ2-CD1 4.01Å; W490-I503 HydrophobicContact CZ2-CG2 4.03Å; H500-I503 HydrophobicContact CB-CB 4.05Å; H500-I503 WeakPolarHBondContact ND1-CG1 3.26Å; H500-I503 PolarHBondContact ND1-N 3.36Å; H500-I503 PolarHBondContact O-N 3.16Å
504	G	98.3	Very high	98.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	73.5	-139.7	-174.7	0	0	0	0	0	111.1	I393 Y499 H500 G506	I393-G504 VanDerWaalsContact O-CA 3.27Å; I393-G504 WeakPolarHBondContact O-CA 3.33Å; Y499-G504 CarbonylContact C-O 3.04Å; Y499-G504 WeakPolarHBondContact CA-O 3.21Å; H500-G504 PolarHBondContact N-O 3.06Å; H500-G504 PolarHBondContact O-N 2.87Å; G504-G506 PolarHBondContact O-N 3.28Å
505	Y	98.5	Very high	98.2	Very high	6 Å²	6	9.7 Å²	9.7	2%	0.024	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.6	174.4	-60.4	-59.6	0	0	0	113.8	R394 L476 P477 S480 F498 Y499 V671 W674	R394-Y505 WeakPolarHBondContact O-CD2 3.38Å; R394-Y505 PolarHBondContact O-N 3.12Å; L476-Y505 HydrophobicContact CB-CD2 4.11Å; P477-Y505 HydrophobicContact CB-CD1 4.01Å; P477-Y505 HydrophobicContact CB-CD2 4.26Å; P477-Y505 HydrophobicContact CB-CE1 4.25Å; P477-Y505 HydrophobicContact CB-CE2 4.48Å; P477-Y505 HydrophobicContact CB-CG 4.04Å; P477-Y505 HydrophobicContact CG-CD1 4.11Å; P477-Y505 HydrophobicContact CG-CD2 3.82Å; P477-Y505 HydrophobicContact CG-CE1 3.95Å; P477-Y505 HydrophobicContact CG-CE2 3.64Å; P477-Y505 HydrophobicContact CG-CG 4.07Å; S480-Y505 WeakPolarHBondContact CB-O 3.31Å; F498-Y505 WeakPolarHBondContact O-CA 3.44Å; F498-Y505 WeakPolarHBondContact O-CD1 3.42Å; Y499-Y505 HydrophobicContact CD2-CD1 4.08Å; Y499-Y505 HydrophobicContact CD2-CE1 4.13Å; Y505-V671 HydrophobicContact CE1-CG2 4.44Å; Y505-V671 HydrophobicContact CE2-CG2 4.22Å; Y505-V671 WeakPolarHBondContact OH-CB 3.37Å; Y505-V671 PolarHBondContact OH-O 3.43Å; Y505-W674 HydrophobicContact CE1-CB 4.5Å; Y505-W674 WeakPolarHBondContact OH-CB 3.18Å
506	G	98.3	Very high	98.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.			trans	124.5	-179	-177	0	0	0	0	0	113.6	S396 S480 R481 G504	S396-G506 PolarHBondContact N-O 2.83Å; S480-G506 PolarHBondContact OG-O 3.44Å; S480-G506 VanDerWaalsContact OG-O 3.05Å; R481-G506 CarbonylContact O-C 3.52Å; R481-G506 WeakPolarHBondContact O-CA 3.15Å; G504-G506 PolarHBondContact O-N 3.28Å
507	T	98.1	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.7	178.1	-119.7	0	0	0	0	110.4	I377 S396 P398 S480 R481 P483	I377-T507 WeakPolarHBondContact CD1-OG1 3.49Å; S396-T507 WeakPolarHBondContact O-CA 3.46Å; S396-T507 PolarHBondContact O-OG1 3.45Å; S396-T507 VanDerWaalsContact OG-CA 3.22Å; S396-T507 WeakPolarHBondContact OG-CA 3.45Å; S396-T507 PolarHBondContact OG-N 2.9Å; S396-T507 PolarHBondContact OG-OG1 3.17Å; S396-T507 VanDerWaalsContact OG-OG1 3.04Å; P398-T507 WeakPolarHBondContact CD-OG1 3.42Å; S480-T507 CarbonylContact C-O 3.57Å; S480-T507 VanDerWaalsContact CA-O 3.32Å; S480-T507 WeakPolarHBondContact CA-O 3.2Å; R481-T507 HydrophobicContact CG-CG2 4.24Å; R481-T507 WeakPolarHBondContact CG-O 3.25Å; R481-T507 PolarHBondContact N-O 3.44Å; R481-T507 PolarHBondContact O-N 3.24Å; P483-T507 HydrophobicContact CB-CG2 4.45Å
508	I	98.6	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.9	-176.8	-169.9	62.6	0	0	0	111.7	I185 S396 V397 F453 S479 L513	I185-I508 WeakPolarHBondContact CA-O 3.4Å; I185-I508 HydrophobicContact CB-CG2 4.49Å; I185-I508 HydrophobicContact CG2-CG2 3.93Å; S396-I508 PolarHBondContact O-N 3.04Å; S396-I508 VanDerWaalsContact O-N 3.11Å; V397-I508 HydrophobicContact CG2-CG2 4.07Å; F453-I508 HydrophobicContact CD2-CB 4.33Å; F453-I508 HydrophobicContact CD2-CG1 4.1Å; F453-I508 HydrophobicContact CD2-CG2 4.29Å; F453-I508 HydrophobicContact CE2-CD1 4.11Å; F453-I508 HydrophobicContact CE2-CG1 4.04Å; S479-I508 VanDerWaalsContact OG-CD1 3.26Å; S479-I508 WeakPolarHBondContact OG-CD1 3.3Å; I508-L513 HydrophobicContact CD1-CB 4.45Å; I508-L513 HydrophobicContact CD1-CD2 4.37Å
509	D	98.6	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.086	C	C	.	.			trans	-103.3	102	164.9	178.8	-24.5	0	0	0	107.8	N186 S479 Y511 R512 L513 S770	N186-D509 WeakPolarHBondContact CB-OD1 3.43Å; N186-D509 PolarHBondContact ND2-OD1 3.29Å; N186-D509 PolarHBondContact ND2-OD2 3.23Å; S479-D509 WeakPolarHBondContact O-CB 3.35Å; S479-D509 PolarHBondContact O-N 2.82Å; D509-Y511 VanDerWaalsContact C-N 3.3Å; D509-Y511 PolarHBondContact O-N 2.77Å; D509-Y511 PolarHBondContact OD1-N 2.75Å; D509-R512 HydrophobicContact CB-CB 3.87Å; D509-R512 VanDerWaalsContact CG-CB 3.46Å; D509-R512 PolarHBondContact O-N 3.25Å; D509-R512 PolarHBondContact OD1-N 3.18Å; D509-R512 IonicContact OD2-NE 2.71Å; D509-L513 WeakPolarHBondContact O-CB 3.27Å; D509-L513 PolarHBondContact O-N 3.27Å; D509-S770 WeakPolarHBondContact OD2-CB 3.43Å; D509-S770 PolarHBondContact OD2-OG 3.29Å
510	C	98.4	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.9	-28.3	-171.7	-57	0	0	0	0	111.9	I185 I190 C456 V514	I185-C510 WeakPolarHBondContact O-CB 3.44Å; I185-C510 PolarHBondContact O-N 3.3Å; I190-C510 HydrophobicContact CD1-CB 3.88Å; C456-C510 HydrophobicContact CB-CB 3.77Å; C456-C510 WeakPolarHBondContact CB-SG 3.41Å; C456-C510 WeakPolarHBondContact SG-CB 3.29Å; C456-C510 CovalentContact SG-SG 2.02Å; C456-C510 PolarHBondContact SG-SG 3.48Å; C510-V514 VanDerWaalsContact O-CG2 3.31Å; C510-V514 WeakPolarHBondContact O-CG2 3.33Å; C510-V514 PolarHBondContact O-N 3.41Å
511	Y	98.4	Very high	98	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-69.4	-44.5	173.7	-175	-127.8	0	0	0	111	N186 P189 I190 E193 D509 L513 V514 K515 L773	N186-Y511 WeakPolarHBondContact ND2-CB 3.39Å; N186-Y511 WeakPolarHBondContact O-CB 3.47Å; N186-Y511 PolarHBondContact O-N 2.65Å; P189-Y511 HydrophobicContact CB-CD1 4.03Å; P189-Y511 HydrophobicContact CB-CD2 3.72Å; P189-Y511 HydrophobicContact CB-CE1 4.03Å; P189-Y511 HydrophobicContact CB-CE2 3.69Å; P189-Y511 HydrophobicContact CB-CG 3.88Å; I190-Y511 HydrophobicContact CG1-CD2 3.67Å; I190-Y511 HydrophobicContact CG1-CG 4.34Å; E193-Y511 VanDerWaalsContact OE1-CE2 3.27Å; E193-Y511 WeakPolarHBondContact OE1-CE2 3.32Å; E193-Y511 PolarHBondContact OE1-OH 2.77Å; D509-Y511 VanDerWaalsContact C-N 3.3Å; D509-Y511 PolarHBondContact O-N 2.77Å; D509-Y511 PolarHBondContact OD1-N 2.75Å; Y511-L513 VanDerWaalsContact C-N 3.34Å; Y511-L513 PolarHBondContact O-N 2.96Å; Y511-V514 PolarHBondContact O-N 3.04Å; Y511-K515 HydrophobicContact CD2-CG 4.4Å; Y511-K515 HydrophobicContact CE1-CG 4.39Å; Y511-K515 HydrophobicContact CE2-CD 4.44Å; Y511-K515 VanDerWaalsContact CE2-CE 3.47Å; Y511-K515 HydrophobicContact CE2-CG 4.23Å; Y511-K515 WeakPolarHBondContact O-CB 3.45Å; Y511-K515 VanDerWaalsContact O-CG 3.3Å; Y511-K515 WeakPolarHBondContact O-CG 3.4Å; Y511-K515 PolarHBondContact O-N 3.1Å; Y511-K515 WeakPolarHBondContact OH-CE 3.39Å; Y511-K515 PolarHBondContact OH-NZ 3.35Å; Y511-L773 HydrophobicContact CD1-CD2 4.15Å; Y511-L773 HydrophobicContact CD1-CG 3.98Å; Y511-L773 HydrophobicContact CE1-CD2 4.45Å; Y511-L773 HydrophobicContact CE1-CG 3.84Å
512	R	98.2	Very high	97.9	Very high	9 Å²	9	26.3 Å²	26.3	3%	0.034	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-44.2	174.1	-170.1	-178.4	-67.3	177.9	-3.6	111.3	W478 D509 V514 K515 L516 Q766 S770 L773	W478-R512 WeakPolarHBondContact O-CD 3.43Å; D509-R512 HydrophobicContact CB-CB 3.87Å; D509-R512 VanDerWaalsContact CG-CB 3.46Å; D509-R512 PolarHBondContact O-N 3.25Å; D509-R512 PolarHBondContact OD1-N 3.18Å; D509-R512 IonicContact OD2-NE 2.71Å; R512-V514 PolarHBondContact O-N 3.32Å; R512-K515 PolarHBondContact O-N 2.86Å; R512-L516 HydrophobicContact CG-CD1 4.18Å; R512-L516 HydrophobicContact CG-CG 4.45Å; R512-L516 WeakPolarHBondContact O-CG 3.49Å; R512-L516 PolarHBondContact O-N 3.46Å; R512-Q766 PolarHBondContact NH2-O 2.79Å; R512-S770 VanDerWaalsContact NH2-CA 3.3Å; R512-L773 HydrophobicContact CB-CD2 3.98Å; R512-L773 HydrophobicContact CG-CD2 4.1Å
513	L	98.7	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-54.4	-51.2	174.4	177.4	64.5	0	0	0	111.6	C456 L457 A460 L475 I508 D509 Y511 K515 L516 A517	C456-L513 HydrophobicContact CB-CD2 4.32Å; L457-L513 HydrophobicContact CD2-CD2 3.96Å; A460-L513 HydrophobicContact CB-CD2 3.95Å; A460-L513 HydrophobicContact CB-CG 3.9Å; L475-L513 HydrophobicContact CB-CD1 3.79Å; L475-L513 HydrophobicContact CD1-CD1 4.12Å; L475-L513 HydrophobicContact CG-CD1 4.49Å; I508-L513 HydrophobicContact CD1-CB 4.45Å; I508-L513 HydrophobicContact CD1-CD2 4.37Å; D509-L513 WeakPolarHBondContact O-CB 3.27Å; D509-L513 PolarHBondContact O-N 3.27Å; Y511-L513 VanDerWaalsContact C-N 3.34Å; Y511-L513 PolarHBondContact O-N 2.96Å; L513-K515 VanDerWaalsContact C-N 3.34Å; L513-K515 PolarHBondContact O-N 2.87Å; L513-L516 PolarHBondContact O-N 2.73Å; L513-A517 VanDerWaalsContact O-CB 3.3Å; L513-A517 WeakPolarHBondContact O-CB 3.41Å; L513-A517 PolarHBondContact O-N 3.43Å
514	V	98.6	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-40.8	178.8	167.2	0	0	0	0	111.5	I190 L459 A463 C510 Y511 R512 A517 K518	I190-V514 HydrophobicContact CD1-CG2 4.13Å; I190-V514 HydrophobicContact CG1-CG2 4.41Å; I190-V514 HydrophobicContact CG2-CG2 4.26Å; L459-V514 HydrophobicContact CB-CG2 3.8Å; A463-V514 HydrophobicContact CB-CG1 3.89Å; C510-V514 VanDerWaalsContact O-CG2 3.31Å; C510-V514 WeakPolarHBondContact O-CG2 3.33Å; C510-V514 PolarHBondContact O-N 3.41Å; Y511-V514 PolarHBondContact O-N 3.04Å; R512-V514 PolarHBondContact O-N 3.32Å; V514-A517 PolarHBondContact O-N 3.34Å; V514-K518 WeakPolarHBondContact O-CG 3.49Å; V514-K518 PolarHBondContact O-N 2.6Å
515	K	97.8	Very high	97.2	Very high	56 Å²	56	25.5 Å²	25.5	24%	0.243	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-41.5	178.4	-74.3	-67.4	-172.2	-175.5	0	112.9	E193 Y511 R512 L513 L773	E193-K515 WeakPolarHBondContact OE1-CE 3.34Å; E193-K515 IonicContact OE1-NZ 3.95Å; E193-K515 PolarHBondContact OE1-NZ 2.87Å; E193-K515 IonicContact OE2-NZ 3.34Å; E193-K515 PolarHBondContact OE2-NZ 3.08Å; E193-K515 VanDerWaalsContact OE2-NZ 3.07Å; Y511-K515 HydrophobicContact CD2-CG 4.4Å; Y511-K515 HydrophobicContact CE1-CG 4.39Å; Y511-K515 HydrophobicContact CE2-CD 4.44Å; Y511-K515 VanDerWaalsContact CE2-CE 3.47Å; Y511-K515 HydrophobicContact CE2-CG 4.23Å; Y511-K515 WeakPolarHBondContact O-CB 3.45Å; Y511-K515 VanDerWaalsContact O-CG 3.3Å; Y511-K515 WeakPolarHBondContact O-CG 3.4Å; Y511-K515 PolarHBondContact O-N 3.1Å; Y511-K515 WeakPolarHBondContact OH-CE 3.39Å; Y511-K515 PolarHBondContact OH-NZ 3.35Å; R512-K515 PolarHBondContact O-N 2.86Å; L513-K515 VanDerWaalsContact C-N 3.34Å; L513-K515 PolarHBondContact O-N 2.87Å; K515-L773 HydrophobicContact CB-CD2 4.43Å; K515-L773 HydrophobicContact CG-CD1 4.23Å; K515-L773 HydrophobicContact CG-CD2 4.26Å
516	L	98.3	Very high	97	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-47.5	174.5	-68.8	175	0	0	0	110.6	L475 W478 R512 L513 K518 K519 W520 L733 L734 L737	L475-L516 HydrophobicContact CD2-CB 3.49Å; L475-L516 VanDerWaalsContact CD2-CB 3.49Å; L475-L516 HydrophobicContact CD2-CD1 4.38Å; W478-L516 HydrophobicContact CB-CD1 3.76Å; R512-L516 HydrophobicContact CG-CD1 4.18Å; R512-L516 HydrophobicContact CG-CG 4.45Å; R512-L516 WeakPolarHBondContact O-CG 3.49Å; R512-L516 PolarHBondContact O-N 3.46Å; L513-L516 PolarHBondContact O-N 2.73Å; L516-K518 VanDerWaalsContact C-N 3.31Å; L516-K518 PolarHBondContact O-N 2.9Å; L516-K519 CarbonylContact O-C 3.47Å; L516-K519 PolarHBondContact O-N 3.06Å; L516-W520 WeakPolarHBondContact O-CB 3.5Å; L516-W520 PolarHBondContact O-N 3.26Å; L516-L733 HydrophobicContact CD2-CD1 3.95Å; L516-L733 HydrophobicContact CD2-CD2 3.74Å; L516-L733 HydrophobicContact CD2-CG 3.61Å; L516-L734 HydrophobicContact CD2-CD2 4.01Å; L516-L737 HydrophobicContact CD1-CD1 4.32Å; L516-L737 HydrophobicContact CD2-CD1 4.08Å
517	A	98.4	Very high	96.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-52.4	-44.5	177.7	0	0	0	0	0	113.1	A460 N464 L467 L475 L513 V514 K519 W520	A460-A517 HydrophobicContact CB-CB 4.18Å; N464-A517 VanDerWaalsContact CB-O 3.31Å; N464-A517 WeakPolarHBondContact CB-O 3.42Å; N464-A517 PolarHBondContact ND2-O 3.48Å; L467-A517 HydrophobicContact CD1-CB 3.72Å; L475-A517 HydrophobicContact CD1-CB 4.36Å; L513-A517 VanDerWaalsContact O-CB 3.3Å; L513-A517 WeakPolarHBondContact O-CB 3.41Å; L513-A517 PolarHBondContact O-N 3.43Å; V514-A517 PolarHBondContact O-N 3.34Å; A517-K519 PolarHBondContact O-N 3.22Å; A517-W520 PolarHBondContact O-N 3.25Å
518	K	97.5	Very high	96.9	Very high	85 Å²	85	26.2 Å²	26.2	37%	0.37	13%	0.129	S	C	.	.	H	α-helix	trans	-60.3	-29.3	178.7	-74.5	-178.5	-178.6	-176.2	0	113.9	E193 A463 V514 L516	E193-K518 IonicContact OE2-NZ 3.66Å; E193-K518 PolarHBondContact OE2-NZ 2.94Å; A463-K518 HydrophobicContact CB-CG 3.77Å; V514-K518 WeakPolarHBondContact O-CG 3.49Å; V514-K518 PolarHBondContact O-N 2.6Å; L516-K518 VanDerWaalsContact C-N 3.31Å; L516-K518 PolarHBondContact O-N 2.9Å
519	K	97.3	Very high	96.8	Very high	152 Å²	152	26.6 Å²	26.6	66%	0.661	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	7.2	-174.8	-64.7	-178.1	173.7	179.8	0	112.7	L516 A517 N521 L733	L516-K519 CarbonylContact O-C 3.47Å; L516-K519 PolarHBondContact O-N 3.06Å; A517-K519 PolarHBondContact O-N 3.22Å; K519-N521 PolarHBondContact O-N 3.29Å; K519-L733 HydrophobicContact CB-CD1 4.16Å; K519-L733 HydrophobicContact CB-CD2 4.06Å; K519-L733 HydrophobicContact CD-CD1 4.09Å
520	W	98	Very high	96.6	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.045	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-75	124.8	-171.2	-168.1	-103.8	0	0	0	111.6	L467 D471 H474 L475 L516 A517 I523 N730 L733 L734	L467-W520 HydrophobicContact CD2-CB 4.09Å; L467-W520 HydrophobicContact CD2-CG 4.03Å; D471-W520 PolarHBondContact OD1-NE1 3.03Å; H474-W520 HydrophobicContact CB-CH2 3.98Å; H474-W520 HydrophobicContact CB-CZ2 3.57Å; L475-W520 HydrophobicContact CD2-CD2 3.76Å; L475-W520 HydrophobicContact CD2-CE3 3.35Å; L475-W520 HydrophobicContact CD2-CG 4.37Å; L475-W520 HydrophobicContact CD2-CH2 4.31Å; L475-W520 HydrophobicContact CD2-CZ3 3.64Å; L475-W520 HydrophobicContact CG-CD2 4.22Å; L475-W520 HydrophobicContact CG-CE3 4.21Å; L475-W520 HydrophobicContact CG-CZ3 4.41Å; L516-W520 WeakPolarHBondContact O-CB 3.5Å; L516-W520 PolarHBondContact O-N 3.26Å; A517-W520 PolarHBondContact O-N 3.25Å; W520-I523 HydrophobicContact CZ2-CG2 4.12Å; W520-N730 HydrophobicContact CE3-CB 4.21Å; W520-N730 HydrophobicContact CH2-CB 4.29Å; W520-N730 WeakPolarHBondContact CZ2-ND2 3.43Å; W520-N730 HydrophobicContact CZ3-CB 3.91Å; W520-L733 HydrophobicContact CE3-CD2 4.24Å; W520-L734 HydrophobicContact CH2-CD1 4Å; W520-L734 HydrophobicContact CZ3-CD1 3.89Å; W520-L734 HydrophobicContact CZ3-CD2 4.19Å; W520-L734 HydrophobicContact CZ3-CG 4.34Å
521	N	96.6	Very high	96.2	Very high	92 Å²	92	34.7 Å²	34.7	49%	0.492	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-82.6	126	164.1	-62.4	-35	0	0	0	108.6	K519 M729 N730	K519-N521 PolarHBondContact O-N 3.29Å; N521-M729 PolarHBondContact ND2-O 2.82Å; N521-N730 WeakPolarHBondContact CB-OD1 3.32Å; N521-N730 PolarHBondContact N-OD1 3.25Å; N521-N730 PolarHBondContact O-ND2 3.37Å
522	L	94.7	Very high	95.4	Very high	75 Å²	75	40.2 Å²	40.2	39%	0.393	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-59.8	141.4	179	-55.5	179.9	0	0	0	110.9	L467 D471 M729	L467-L522 HydrophobicContact CD2-CD2 4.43Å; D471-L522 WeakPolarHBondContact OD1-CA 3.48Å; D471-L522 WeakPolarHBondContact OD2-CD2 3.48Å; L522-M729 WeakPolarHBondContact O-CE 3.45Å
523	I	93.8	Very high	94	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-78	160.3	178.2	65.3	-171.4	0	0	0	112	R470 D471 H474 W520	R470-I523 HydrophobicContact CB-CD1 3.95Å; R470-I523 HydrophobicContact CG-CD1 3.68Å; R470-I523 VanDerWaalsContact NE-CD1 3.35Å; D471-I523 WeakPolarHBondContact OD1-CG1 3.35Å; D471-I523 PolarHBondContact OD1-N 3.17Å; D471-I523 VanDerWaalsContact OD1-N 3.16Å; H474-I523 WeakPolarHBondContact CD2-CD1 3.43Å; H474-I523 WeakPolarHBondContact NE2-CD1 3.48Å; W520-I523 HydrophobicContact CZ2-CG2 4.12Å
524	G	90.2	Very high	92.4	Very high	11 Å²	11	45.8 Å²	45.8	11%	0.113	22%	0.22	C	C	.	.			trans	-71.4	-168	177.7	0	0	0	0	0	113.9	R470 D724	R470-G524 PolarHBondContact NH1-O 2.66Å; R470-G524 PolarHBondContact NH2-O 2.62Å; G524-D724 PolarHBondContact N-O 3.43Å
525	P	93.1	Very high	90.7	Very high	25 Å²	25	48 Å²	48	16%	0.162	23%	0.232	C	C	.	.			trans	-65.4	151.5	-178.7	28.5	-35.8	0	0	0	112.5	R470 T601 S604 I609	R470-P525 PolarHBondContact NH2-O 3.4Å; P525-T601 HydrophobicContact CB-CG2 4.01Å; P525-T601 HydrophobicContact CG-CG2 4.44Å; P525-S604 WeakPolarHBondContact CB-OG 3.34Å; P525-I609 HydrophobicContact CB-CD1 3.67Å; P525-I609 HydrophobicContact CB-CG2 4.45Å; P525-I609 HydrophobicContact CG-CD1 3.66Å
526	L	95.6	Very high	89.3	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.1	172.2	168	68.4	0	0	0	107.9	W469 V528 T601 Q602 Y603 R718	W469-L526 HydrophobicContact CH2-CD2 4.35Å; W469-L526 HydrophobicContact CZ2-CD2 4.3Å; L526-V528 HydrophobicContact CD2-CG2 4.41Å; L526-V528 HydrophobicContact CG-CG2 4.26Å; L526-T601 CarbonylContact O-C 3.59Å; L526-T601 VanDerWaalsContact O-CA 3.24Å; L526-T601 WeakPolarHBondContact O-CA 3.15Å; L526-Q602 WeakPolarHBondContact CB-O 3.35Å; L526-Q602 HydrophobicContact CD2-CB 4.25Å; L526-Q602 PolarHBondContact O-N 2.78Å; L526-Y603 HydrophobicContact CD2-CD2 3.99Å; L526-R718 HydrophobicContact CD1-CB 3.84Å; L526-R718 HydrophobicContact CD1-CG 4.35Å
527	C	96.4	Very high	87.5	Confident	1 Å²	1	54 Å²	54	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.1	174.8	-165.8	0	0	0	0	110.3	C615 Q616 V617 G719	C527-C615 WeakPolarHBondContact CA-SG 3.29Å; C527-C615 HydrophobicContact CB-CB 3.82Å; C527-C615 WeakPolarHBondContact CB-SG 3.44Å; C527-C615 WeakPolarHBondContact SG-CB 3.45Å; C527-C615 CovalentContact SG-SG 2.02Å; C527-C615 PolarHBondContact SG-SG 3.21Å; C527-Q616 VanDerWaalsContact SG-C 3.54Å; C527-Q616 PolarHBondContact SG-N 2.72Å; C527-Q616 VanDerWaalsContact SG-N 3.41Å; C527-V617 HydrophobicContact CB-CG2 3.72Å; C527-V617 WeakPolarHBondContact SG-CG2 3.09Å; C527-G719 PolarHBondContact N-O 2.76Å; C527-G719 PolarHBondContact O-N 2.89Å
528	V	97	Very high	85.7	Confident	18 Å²	18	54.6 Å²	54.6	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.2	-177.9	-171.3	0	0	0	0	110	L526 I530 G599 L600 Q602 T716 R718	L526-V528 HydrophobicContact CD2-CG2 4.41Å; L526-V528 HydrophobicContact CG-CG2 4.26Å; V528-I530 HydrophobicContact CG1-CG1 4.35Å; V528-G599 CarbonylContact O-C 3.56Å; V528-G599 WeakPolarHBondContact O-CA 3.37Å; V528-L600 PolarHBondContact N-O 2.94Å; V528-L600 PolarHBondContact O-N 3.12Å; V528-Q602 HydrophobicContact CG2-CB 3.57Å; V528-Q602 HydrophobicContact CG2-CG 4.48Å; V528-T716 HydrophobicContact CG1-CG2 3.52Å; V528-R718 HydrophobicContact CG1-CG 4.35Å; V528-R718 HydrophobicContact CG2-CG 4.09Å
529	L	96.4	Very high	83.9	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.5	173.5	169	148.8	0	0	0	108.7	I594 D596 L597 V617 T716 I717	L529-I594 HydrophobicContact CD1-CG2 4.14Å; L529-I594 HydrophobicContact CD2-CD1 4.4Å; L529-I594 HydrophobicContact CD2-CG2 4.35Å; L529-D596 WeakPolarHBondContact CD1-O 3.29Å; L529-L597 HydrophobicContact CD1-CD2 4.4Å; L529-V617 HydrophobicContact CB-CB 4.01Å; L529-V617 HydrophobicContact CB-CG2 3.54Å; L529-T716 CarbonylContact O-C 3.39Å; L529-T716 VanDerWaalsContact O-CA 3.29Å; L529-T716 WeakPolarHBondContact O-CA 2.99Å; L529-T716 WeakPolarHBondContact O-CG2 3.11Å; L529-I717 HydrophobicContact CD2-CB 4.27Å; L529-I717 HydrophobicContact CD2-CD1 4.44Å; L529-I717 HydrophobicContact CD2-CG1 4.19Å; L529-I717 PolarHBondContact N-O 2.87Å; L529-I717 PolarHBondContact O-N 2.83Å
530	I	94.7	Very high	82.2	Confident	97 Å²	97	53.2 Å²	53.2	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.2	177.7	-54.4	177.5	0	0	0	108.3	V528 K532 Q714 T716	V528-I530 HydrophobicContact CG1-CG1 4.35Å; I530-K532 HydrophobicContact CG2-CG 3.99Å; I530-Q714 HydrophobicContact CG2-CG 3.86Å; I530-T716 HydrophobicContact CG1-CG2 4.12Å
531	Y	91.2	Very high	80.5	Confident	73 Å²	73	56.1 Å²	56.1	29%	0.286	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118	171.2	-170.5	-79.7	0	0	0	109.5	F592 I594 L715	Y531-F592 HydrophobicContact CD1-CB 4.06Å; Y531-F592 AromaticContact CD1-CD1 3.71Å; Y531-F592 HydrophobicContact CD1-CD1 3.71Å; Y531-F592 HydrophobicContact CD1-CG 4.33Å; Y531-F592 HydrophobicContact CE1-CB 3.95Å; Y531-F592 AromaticContact CE1-CD1 3.74Å; Y531-F592 HydrophobicContact CE1-CD1 3.74Å; Y531-F592 HydrophobicContact CE1-CG 4.35Å; Y531-I594 HydrophobicContact CD2-CG1 4.02Å; Y531-I594 HydrophobicContact CG-CG1 4.34Å; Y531-L715 CarbonylContact C-O 3.56Å; Y531-L715 WeakPolarHBondContact CA-O 3.35Å; Y531-L715 PolarHBondContact N-O 3.46Å; Y531-L715 PolarHBondContact O-N 3.32Å
532	K	80.5	Confident	78.7	Confident	117 Å²	117	52.3 Å²	52.3	51%	0.509	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.2	-178.8	-69.2	178.8	172.4	-128.5	0	110.7	I530 E534 Q714	I530-K532 HydrophobicContact CG2-CG 3.99Å; K532-E534 HydrophobicContact CB-CG 4.44Å; K532-E534 WeakPolarHBondContact CD-OE1 3.31Å; K532-E534 IonicContact NZ-OE1 2.86Å; K532-E534 PolarHBondContact NZ-OE1 3.44Å; K532-Q714 HydrophobicContact CG-CG 3.98Å
533	N	69.6	Low	77	Confident	51 Å²	51	50.1 Å²	50.1	27%	0.273	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	60.2	163.2	-153.5	-1.6	0	0	0	107.9	W580 F592 V713	N533-W580 HydrophobicContact CB-CH2 4.21Å; N533-F592 HydrophobicContact CB-CE1 4.29Å; N533-V713 CarbonylContact C-O 3.48Å; N533-V713 PolarHBondContact N-O 3.39Å; N533-V713 VanDerWaalsContact N-O 3.08Å
534	E	65.8	Low	75.3	Confident	76 Å²	76	53.6 Å²	53.6	36%	0.355	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.4	179.2	-69.7	-178	-155.1	0	0	109.1	K532	K532-E534 HydrophobicContact CB-CG 4.44Å; K532-E534 WeakPolarHBondContact CD-OE1 3.31Å; K532-E534 IonicContact NZ-OE1 2.86Å; K532-E534 PolarHBondContact NZ-OE1 3.44Å
535	L	61.5	Low	73.5	Confident	46 Å²	46	56.4 Å²	56.4	24%	0.241	29%	0.293	C	S	.	.	S	Bend	trans	-102	-41.1	172	-75.5	162.9	0	0	0	111.6	Q578 W580	L535-Q578 WeakPolarHBondContact CD1-O 3.13Å; L535-Q578 HydrophobicContact CD2-CB 3.87Å; L535-W580 HydrophobicContact CD1-CD2 4.36Å; L535-W580 HydrophobicContact CD1-CE3 3.97Å; L535-W580 HydrophobicContact CD1-CH2 3.41Å; L535-W580 VanDerWaalsContact CD1-CH2 3.41Å; L535-W580 HydrophobicContact CD1-CZ2 3.83Å; L535-W580 HydrophobicContact CD1-CZ3 3.5Å; L535-W580 HydrophobicContact CG-CH2 4.18Å; L535-W580 HydrophobicContact CG-CZ3 4.41Å
536	Y	68.4	Low	71.5	Confident	69 Å²	69	56.9 Å²	56.9	27%	0.271	29%	0.293	S	S	.	.			trans	-147.1	132.1	175.9	-61.4	-91.3	0	0	0	111.5	V538 E575 Y576 Q578 T711	Y536-V538 PolarHBondContact O-N 3.32Å; Y536-E575 WeakPolarHBondContact CE1-O 3.43Å; Y536-E575 VanDerWaalsContact CZ-O 3.3Å; Y536-E575 PolarHBondContact OH-O 2.61Å; Y536-Y576 VanDerWaalsContact CB-CE1 3.49Å; Y536-Y576 HydrophobicContact CD1-CD1 4.13Å; Y536-Y576 HydrophobicContact CD1-CE1 4.18Å; Y536-Y576 AromaticContact CD2-CD1 3.42Å; Y536-Y576 HydrophobicContact CD2-CD1 3.42Å; Y536-Y576 VanDerWaalsContact CD2-CD1 3.42Å; Y536-Y576 HydrophobicContact CD2-CE1 4.1Å; Y536-Y576 HydrophobicContact CD2-CG 4.37Å; Y536-Y576 HydrophobicContact CE2-CD1 4.02Å; Y536-Y576 AromaticContact CG-CD1 3.48Å; Y536-Y576 HydrophobicContact CG-CD1 3.48Å; Y536-Y576 VanDerWaalsContact CG-CD1 3.48Å; Y536-Y576 AromaticContact CG-CE1 3.66Å; Y536-Y576 HydrophobicContact CG-CE1 3.66Å; Y536-Q578 HydrophobicContact CE2-CB 4.19Å; Y536-T711 PolarHBondContact N-O 3.08Å
537	N	61.5	Low	69	Low	122 Å²	122	59.8 Å²	59.8	65%	0.652	32%	0.323	S	S	*	.			trans	-81.5	96.3	174	-110.4	-30.9	0	0	0	110.1
538	V	59.2	Low	66.5	Low	12 Å²	12	67.4 Å²	67.4	7%	0.073	35%	0.352	C	S	.	.			trans	-81	136.6	172.9	-172.6	0	0	0	0	109.6	Y536 Y576 K628 T711	Y536-V538 PolarHBondContact O-N 3.32Å; V538-Y576 HydrophobicContact CG2-CE1 4.08Å; V538-K628 PolarHBondContact O-NZ 2.84Å; V538-T711 HydrophobicContact CG2-CG2 3.97Å
539	P	60.2	Low	63.8	Low	91 Å²	91	72 Å²	72	59%	0.591	37%	0.37	S	S	*	.			trans	-58.8	138	177.9	-24.5	33.9	0	0	0	113.8	N541	P539-N541 VanDerWaalsContact C-N 3.27Å; P539-N541 PolarHBondContact O-N 3.47Å
540	D	61.9	Low	61.2	Low	116 Å²	116	80 Å²	80	62%	0.62	41%	0.405	S	S	*	.	S	Bend	trans	-78.7	66.4	179.5	-64.5	-31.7	0	0	0	112	K628	D540-K628 WeakPolarHBondContact OD1-CE 3.47Å; D540-K628 IonicContact OD1-NZ 3.23Å; D540-K628 PolarHBondContact OD1-NZ 3.43Å; D540-K628 IonicContact OD2-NZ 3.42Å
541	N	61.5	Low	58.6	Low	73 Å²	73	79.3 Å²	79.3	39%	0.39	41%	0.405	S	S	.	.			trans	-115	-3.4	179	71.2	6.5	0	0	0	114.5	P539 A543 N544	P539-N541 VanDerWaalsContact C-N 3.27Å; P539-N541 PolarHBondContact O-N 3.47Å; N541-A543 PolarHBondContact O-N 3.49Å; N541-N544 WeakPolarHBondContact O-CB 3.21Å; N541-N544 PolarHBondContact O-N 3.47Å; N541-N544 VanDerWaalsContact O-N 3.15Å
542	W	60.6	Low	56.3	Low	13 Å²	13	83.3 Å²	83.3	5%	0.049	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-61	-38.6	-173.7	63	-84.8	0	0	0	113.3	L322 N544 L545 Q546 E663 S665	L322-W542 HydrophobicContact CD2-CH2 4.01Å; L322-W542 HydrophobicContact CD2-CZ2 3.63Å; L322-W542 HydrophobicContact CG-CH2 4.32Å; L322-W542 HydrophobicContact CG-CZ2 4.24Å; W542-N544 PolarHBondContact O-N 3.08Å; W542-N544 VanDerWaalsContact O-N 3.11Å; W542-L545 WeakPolarHBondContact O-CA 2.96Å; W542-L545 WeakPolarHBondContact O-CB 3.16Å; W542-L545 PolarHBondContact O-N 2.65Å; W542-Q546 HydrophobicContact CE3-CG 4.09Å; W542-Q546 HydrophobicContact CZ3-CG 4.35Å; W542-Q546 PolarHBondContact O-N 3.15Å; W542-E663 VanDerWaalsContact CB-O 3.3Å; W542-E663 WeakPolarHBondContact CB-O 3.37Å; W542-S665 VanDerWaalsContact CE2-O 3.31Å; W542-S665 WeakPolarHBondContact CH2-O 3.5Å; W542-S665 WeakPolarHBondContact CZ2-O 3.22Å
543	A	58.6	Low	54.4	Low	29 Å²	29	85.2 Å²	85.2	24%	0.24	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-55.8	-33.1	178.2	0	0	0	0	0	111.7	N541 L545 Q546	N541-A543 PolarHBondContact O-N 3.49Å; A543-L545 PolarHBondContact O-N 3.27Å; A543-Q546 PolarHBondContact O-N 2.77Å
544	N	57.7	Low	52.9	Low	76 Å²	76	86.4 Å²	86.4	41%	0.406	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-72.5	-14.7	177.3	-60.4	-47.9	0	0	0	114.5	K102 N541 W542 R548	K102-N544 PolarHBondContact NZ-OD1 2.83Å; N541-N544 WeakPolarHBondContact O-CB 3.21Å; N541-N544 PolarHBondContact O-N 3.47Å; N541-N544 VanDerWaalsContact O-N 3.15Å; W542-N544 PolarHBondContact O-N 3.08Å; W542-N544 VanDerWaalsContact O-N 3.11Å; N544-R548 PolarHBondContact O-NE 3.37Å
545	L	52.3	Low	51.9	Low	71 Å²	71	90 Å²	90	37%	0.372	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-97	-15.5	179.8	-59.7	175.7	0	0	0	112.1	W542 A543	W542-L545 WeakPolarHBondContact O-CA 2.96Å; W542-L545 WeakPolarHBondContact O-CB 3.16Å; W542-L545 PolarHBondContact O-N 2.65Å; A543-L545 PolarHBondContact O-N 3.27Å
546	Q	50.6	Low	51.1	Low	34 Å²	34	93.1 Å²	93.1	16%	0.159	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	143.1	177.3	-62.4	-172.8	-52.4	0	0	111	M320 W542 A543 R548 Y660	M320-Q546 PolarHBondContact O-NE2 3.02Å; M320-Q546 PolarHBondContact O-OE1 3.25Å; W542-Q546 HydrophobicContact CE3-CG 4.09Å; W542-Q546 HydrophobicContact CZ3-CG 4.35Å; W542-Q546 PolarHBondContact O-N 3.15Å; A543-Q546 PolarHBondContact O-N 2.77Å; Q546-R548 PolarHBondContact O-N 2.81Å; Q546-R548 VanDerWaalsContact O-N 3.08Å; Q546-Y660 HydrophobicContact CG-CE2 4.49Å
547	G	42.8	Very low	50.3	Low	62 Å²	62	90.9 Å²	90.9	64%	0.639	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	-4.8	-180	0	0	0	0	0	116	K549	G547-K549 VanDerWaalsContact C-N 3.27Å; G547-K549 PolarHBondContact O-N 3.23Å
548	R	44.2	Very low	50.2	Low	162 Å²	162	88.6 Å²	88.6	61%	0.611	46%	0.463	S	S	*	.			trans	-69.8	85.8	170.2	-70.3	-168.2	-173.2	-165.4	0.6	109.9	N544 Q546 K550 F558	N544-R548 PolarHBondContact O-NE 3.37Å; Q546-R548 PolarHBondContact O-N 2.81Å; Q546-R548 VanDerWaalsContact O-N 3.08Å; R548-K550 PolarHBondContact O-N 3.12Å; R548-K550 VanDerWaalsContact O-N 3.11Å; R548-F558 WeakPolarHBondContact O-CE2 3.45Å
549	K	39.8	Very low	50.2	Low	115 Å²	115	94.8 Å²	94.8	50%	0.5	49%	0.491	S	S	.	.			trans	-53.6	115.4	158.2	-69.4	-178.1	178.4	174.8	0	106.6	G547 T551	G547-K549 VanDerWaalsContact C-N 3.27Å; G547-K549 PolarHBondContact O-N 3.23Å; K549-T551 PolarHBondContact O-N 3.11Å; K549-T551 VanDerWaalsContact O-N 3.12Å
550	K	43	Very low	50.6	Low	176 Å²	176	90.8 Å²	90.8	77%	0.765	47%	0.465	S	S	*	.	S	Bend	trans	-62.2	-20.2	178.6	-121.6	168.6	162.9	177.2	0	111.7	R548 F558	R548-K550 PolarHBondContact O-N 3.12Å; R548-K550 VanDerWaalsContact O-N 3.11Å; K550-F558 HydrophobicContact CB-CE1 3.52Å; K550-F558 HydrophobicContact CB-CZ 3.38Å; K550-F558 HydrophobicContact CD-CD1 4.46Å; K550-F558 HydrophobicContact CD-CE1 3.28Å; K550-F558 HydrophobicContact CD-CZ 3.53Å; K550-F558 HydrophobicContact CG-CE1 3.76Å; K550-F558 HydrophobicContact CG-CZ 3.56Å
551	T	39.3	Very low	51.1	Low	82 Å²	82	89.6 Å²	89.6	50%	0.503	46%	0.459	S	S	.	.	S	Bend	trans	-152.8	146.8	177.2	50.2	0	0	0	0	110.1	K549 N553 V554	K549-T551 PolarHBondContact O-N 3.11Å; K549-T551 VanDerWaalsContact O-N 3.12Å; T551-N553 PolarHBondContact O-N 3.07Å; T551-V554 PolarHBondContact O-N 3.46Å
552	D	43.7	Very low	51.6	Low	157 Å²	157	90.2 Å²	90.2	84%	0.84	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-5	-175.9	-71.2	-37.4	0	0	0	115
553	N	39.8	Very low	52.3	Low	157 Å²	157	97 Å²	97	84%	0.84	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	13.5	-175.5	-75.6	-8.5	0	0	0	115.6	T551	T551-N553 PolarHBondContact O-N 3.07Å
554	V	39.2	Very low	53.2	Low	76 Å²	76	97 Å²	97	46%	0.461	49%	0.492	S	S	.	.			trans	-121.1	105.4	172.1	-162.5	0	0	0	0	109.4	T551 H556	T551-V554 PolarHBondContact O-N 3.46Å; V554-H556 VanDerWaalsContact C-N 3.25Å; V554-H556 WeakPolarHBondContact CG1-O 3.48Å
555	Q	43.5	Very low	54.1	Low	150 Å²	150	94.6 Å²	94.6	70%	0.701	48%	0.481	S	S	*	.			trans	-75.2	-11.9	175.2	-84.7	-172.5	-20.6	0	0	113.4
556	H	45.5	Very low	55.5	Low	113 Å²	113	98.1 Å²	98.1	52%	0.523	49%	0.494	S	S	.	.	S	Bend	trans	-106.8	118.1	177.9	-52.3	-61.4	0	0	0	109.1	V554 F558	V554-H556 VanDerWaalsContact C-N 3.25Å; V554-H556 WeakPolarHBondContact CG1-O 3.48Å; H556-F558 PolarHBondContact O-N 3.38Å
557	L	52.2	Low	56.9	Low	21 Å²	21	99.6 Å²	99.6	11%	0.11	51%	0.507	C	S	.	.			trans	-53.6	140.8	178.2	-72.6	136.1	0	0	0	109.7	I318 Q559 T659 Y660	I318-L557 HydrophobicContact CG2-CD1 3.07Å; L557-Q559 PolarHBondContact O-N 2.89Å; L557-T659 CarbonylContact C-O 3.58Å; L557-T659 PolarHBondContact N-OG1 3.34Å; L557-T659 VanDerWaalsContact N-OG1 3.14Å; L557-T659 WeakPolarHBondContact O-CB 3.13Å; L557-T659 PolarHBondContact O-OG1 3.49Å; L557-Y660 HydrophobicContact CD2-CD2 4.34Å
558	F	58.1	Low	58.7	Low	75 Å²	75	96.9 Å²	96.9	33%	0.329	48%	0.478	S	S	.	.			trans	-6.5	94.8	173.9	-58.9	-72.8	0	0	0	117.2	R548 K550 H556 C560 T659 T661	R548-F558 WeakPolarHBondContact O-CE2 3.45Å; K550-F558 HydrophobicContact CB-CE1 3.52Å; K550-F558 HydrophobicContact CB-CZ 3.38Å; K550-F558 HydrophobicContact CD-CD1 4.46Å; K550-F558 HydrophobicContact CD-CE1 3.28Å; K550-F558 HydrophobicContact CD-CZ 3.53Å; K550-F558 HydrophobicContact CG-CE1 3.76Å; K550-F558 HydrophobicContact CG-CZ 3.56Å; H556-F558 PolarHBondContact O-N 3.38Å; F558-C560 PolarHBondContact O-N 3.5Å; F558-T659 CarbonylContact C-O 3.53Å; F558-T661 PolarHBondContact O-OG1 3.47Å
559	Q	60	Low	60.5	Low	142 Å²	142	91.3 Å²	91.3	66%	0.664	46%	0.46	S	S	*	.			trans	-66.8	122.4	155.6	-74.6	-178.2	-8.9	0	0	107.7	L557 D561	L557-Q559 PolarHBondContact O-N 2.89Å; Q559-D561 PolarHBondContact O-N 2.82Å
560	C	68.1	Low	62.6	Low	7 Å²	7	91.6 Å²	91.6	5%	0.047	46%	0.463	C	S	.	.			trans	-63.5	116.7	178.5	-173.5	0	0	0	0	109.5	F558 C564 S565 S632 T661	F558-C560 PolarHBondContact O-N 3.5Å; C560-C564 HydrophobicContact CB-CB 4.04Å; C560-C564 WeakPolarHBondContact CB-SG 3.46Å; C560-C564 WeakPolarHBondContact SG-CB 3.44Å; C560-C564 CovalentContact SG-SG 2.04Å; C560-C564 PolarHBondContact SG-SG 2.79Å; C560-S565 PolarHBondContact SG-N 3.32Å; C560-S565 PolarHBondContact SG-OG 2.89Å; C560-S632 WeakPolarHBondContact CB-O 3.38Å; C560-T661 HydrophobicContact CB-CG2 4.12Å; C560-T661 WeakPolarHBondContact CB-OG1 3.3Å; C560-T661 PolarHBondContact N-OG1 3.19Å
561	D	72.2	Confident	64.4	Low	91 Å²	91	84.2 Å²	84.2	49%	0.487	43%	0.431	S	S	.	.			trans	-76.8	179	173.4	64.1	21.4	0	0	0	111.8	Q559 Q563 C564 S565	Q559-D561 PolarHBondContact O-N 2.82Å; D561-Q563 PolarHBondContact O-N 2.89Å; D561-Q563 WeakPolarHBondContact OD1-CB 3.18Å; D561-Q563 PolarHBondContact OD1-N 3.06Å; D561-Q563 VanDerWaalsContact OD1-N 3.07Å; D561-C564 WeakPolarHBondContact O-CB 3.42Å; D561-C564 PolarHBondContact O-N 2.94Å; D561-C564 VanDerWaalsContact OD1-CB 3.31Å; D561-C564 WeakPolarHBondContact OD1-CB 3.34Å; D561-C564 PolarHBondContact OD1-N 3.01Å; D561-S565 PolarHBondContact O-N 2.87Å; D561-S565 PolarHBondContact O-OG 2.93Å; D561-S565 VanDerWaalsContact O-OG 3.07Å
562	D	72.2	Confident	66.4	Low	85 Å²	85	82.1 Å²	82.1	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-58.8	-33.5	178.2	-76.2	0.6	0	0	0	112.8	K566	D562-K566 WeakPolarHBondContact O-CB 3.46Å; D562-K566 WeakPolarHBondContact O-CD 3.48Å; D562-K566 WeakPolarHBondContact O-CG 3.36Å; D562-K566 PolarHBondContact O-N 2.8Å
563	Q	76.1	Confident	68.3	Low	156 Å²	156	81 Å²	81	73%	0.729	40%	0.402	S	S	*	.	H	α-helix	trans	-71.9	-43.9	180	-176.6	178	-1.3	0	0	110.7	D561 K566 S567	D561-Q563 PolarHBondContact O-N 2.89Å; D561-Q563 WeakPolarHBondContact OD1-CB 3.18Å; D561-Q563 PolarHBondContact OD1-N 3.06Å; D561-Q563 VanDerWaalsContact OD1-N 3.07Å; Q563-K566 PolarHBondContact O-N 2.87Å; Q563-S567 WeakPolarHBondContact O-CB 3.13Å; Q563-S567 PolarHBondContact O-N 3.27Å
564	C	76.6	Confident	70.4	Confident	28 Å²	28	76.8 Å²	76.8	19%	0.189	39%	0.385	C	S	.	.	H	α-helix	trans	-57.5	-48.5	171.7	164.6	0	0	0	0	111.2	C560 D561 K566 S567 I568 T661	C560-C564 HydrophobicContact CB-CB 4.04Å; C560-C564 WeakPolarHBondContact CB-SG 3.46Å; C560-C564 WeakPolarHBondContact SG-CB 3.44Å; C560-C564 CovalentContact SG-SG 2.04Å; C560-C564 PolarHBondContact SG-SG 2.79Å; D561-C564 WeakPolarHBondContact O-CB 3.42Å; D561-C564 PolarHBondContact O-N 2.94Å; D561-C564 VanDerWaalsContact OD1-CB 3.31Å; D561-C564 WeakPolarHBondContact OD1-CB 3.34Å; D561-C564 PolarHBondContact OD1-N 3.01Å; C564-K566 PolarHBondContact O-N 2.88Å; C564-S567 WeakPolarHBondContact O-CA 3.38Å; C564-S567 VanDerWaalsContact O-CB 3.28Å; C564-S567 WeakPolarHBondContact O-CB 3.02Å; C564-S567 PolarHBondContact O-N 3.02Å; C564-I568 PolarHBondContact O-N 3.41Å; C564-T661 WeakPolarHBondContact SG-CG2 3.32Å
565	S	77.4	Confident	72.4	Confident	26 Å²	26	77.7 Å²	77.7	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-62.6	-43.6	-179.7	-60.8	0	0	0	0	111.5	C560 D561 S567 I568 I569	C560-S565 PolarHBondContact SG-N 3.32Å; C560-S565 PolarHBondContact SG-OG 2.89Å; D561-S565 PolarHBondContact O-N 2.87Å; D561-S565 PolarHBondContact O-OG 2.93Å; D561-S565 VanDerWaalsContact O-OG 3.07Å; S565-S567 VanDerWaalsContact C-N 3.29Å; S565-S567 PolarHBondContact O-N 2.94Å; S565-I568 PolarHBondContact O-N 3.38Å; S565-I569 WeakPolarHBondContact O-CG1 3.49Å; S565-I569 PolarHBondContact O-N 3.03Å
566	K	80.3	Confident	74	Confident	146 Å²	146	72 Å²	72	64%	0.635	36%	0.356	S	S	*	.	H	α-helix	trans	-60.4	-38.3	172.7	-75.2	170.1	-174.8	171.9	0	112.3	D562 Q563 C564 I569 H570	D562-K566 WeakPolarHBondContact O-CB 3.46Å; D562-K566 WeakPolarHBondContact O-CD 3.48Å; D562-K566 WeakPolarHBondContact O-CG 3.36Å; D562-K566 PolarHBondContact O-N 2.8Å; Q563-K566 PolarHBondContact O-N 2.87Å; C564-K566 PolarHBondContact O-N 2.88Å; K566-I569 PolarHBondContact O-N 3.4Å; K566-H570 VanDerWaalsContact O-CB 3.26Å; K566-H570 WeakPolarHBondContact O-CB 3.46Å; K566-H570 PolarHBondContact O-N 3.17Å
567	S	81.6	Confident	75.4	Confident	64 Å²	64	70.2 Å²	70.2	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-43.9	176.5	-178.4	0	0	0	0	111.8	Q563 C564 S565 I569 H570 Q571	Q563-S567 WeakPolarHBondContact O-CB 3.13Å; Q563-S567 PolarHBondContact O-N 3.27Å; C564-S567 WeakPolarHBondContact O-CA 3.38Å; C564-S567 VanDerWaalsContact O-CB 3.28Å; C564-S567 WeakPolarHBondContact O-CB 3.02Å; C564-S567 PolarHBondContact O-N 3.02Å; S565-S567 VanDerWaalsContact C-N 3.29Å; S565-S567 PolarHBondContact O-N 2.94Å; S567-I569 PolarHBondContact O-N 2.96Å; S567-H570 PolarHBondContact O-N 3.43Å; S567-Q571 VanDerWaalsContact O-CB 3.31Å; S567-Q571 WeakPolarHBondContact O-CB 3.33Å; S567-Q571 PolarHBondContact O-N 3.21Å
568	I	80.3	Confident	76.8	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-48.9	175.2	-68.8	171.9	0	0	0	110.5	C564 S565 H570 Q571 Y572 F709	C564-I568 PolarHBondContact O-N 3.41Å; S565-I568 PolarHBondContact O-N 3.38Å; I568-H570 PolarHBondContact O-N 3.05Å; I568-Q571 PolarHBondContact O-N 2.99Å; I568-Y572 WeakPolarHBondContact O-CB 3.21Å; I568-Y572 PolarHBondContact O-N 3.38Å; I568-F709 HydrophobicContact CG2-CD1 4.22Å; I568-F709 HydrophobicContact CG2-CE1 4.06Å
569	I	81.8	Confident	78.1	Confident	46 Å²	46	72.1 Å²	72.1	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-43.8	178.6	-66.4	167.6	0	0	0	111.1	S565 K566 S567 K573 I706	S565-I569 WeakPolarHBondContact O-CG1 3.49Å; S565-I569 PolarHBondContact O-N 3.03Å; K566-I569 PolarHBondContact O-N 3.4Å; S567-I569 PolarHBondContact O-N 2.96Å; I569-K573 HydrophobicContact CG2-CD 4.03Å; I569-K573 WeakPolarHBondContact O-CB 3.39Å; I569-K573 VanDerWaalsContact O-CG 3.32Å; I569-K573 WeakPolarHBondContact O-CG 3.11Å; I569-K573 PolarHBondContact O-N 3.28Å; I569-I706 HydrophobicContact CG1-CB 4.48Å
570	H	83.8	Confident	79.7	Confident	121 Å²	121	67.5 Å²	67.5	56%	0.56	34%	0.343	S	S	*	.	H	α-helix	trans	-59.9	-52.4	177.7	177.1	-85	0	0	0	110.3	K566 S567 I568 Y572 K573 S574	K566-H570 VanDerWaalsContact O-CB 3.26Å; K566-H570 WeakPolarHBondContact O-CB 3.46Å; K566-H570 PolarHBondContact O-N 3.17Å; S567-H570 PolarHBondContact O-N 3.43Å; I568-H570 PolarHBondContact O-N 3.05Å; H570-Y572 PolarHBondContact O-N 3.21Å; H570-K573 PolarHBondContact O-N 3.25Å; H570-K573 VanDerWaalsContact O-N 3.1Å; H570-S574 WeakPolarHBondContact O-CB 3.35Å; H570-S574 PolarHBondContact O-N 2.97Å; H570-S574 PolarHBondContact O-OG 2.87Å
571	Q	81.7	Confident	80.8	Confident	21 Å²	21	68.8 Å²	68.8	10%	0.098	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-41.7	-178.4	-160.8	-177.1	5.9	0	0	112.4	S567 I568 K573 S574 E575 Y576 F709	S567-Q571 VanDerWaalsContact O-CB 3.31Å; S567-Q571 WeakPolarHBondContact O-CB 3.33Å; S567-Q571 PolarHBondContact O-N 3.21Å; I568-Q571 PolarHBondContact O-N 2.99Å; Q571-K573 VanDerWaalsContact C-N 3.33Å; Q571-K573 PolarHBondContact O-N 3.03Å; Q571-S574 PolarHBondContact O-N 3.47Å; Q571-E575 HydrophobicContact CG-CB 4.18Å; Q571-E575 HydrophobicContact CG-CG 4.28Å; Q571-E575 WeakPolarHBondContact CG-OE2 3.34Å; Q571-E575 PolarHBondContact NE2-OE2 2.88Å; Q571-E575 WeakPolarHBondContact O-CA 3.33Å; Q571-E575 WeakPolarHBondContact O-CB 3.43Å; Q571-E575 PolarHBondContact O-N 2.93Å; Q571-Y576 HydrophobicContact CG-CD2 3.97Å; Q571-Y576 HydrophobicContact CG-CE2 3.85Å; Q571-Y576 PolarHBondContact O-N 3.4Å; Q571-F709 HydrophobicContact CB-CZ 4.49Å; Q571-F709 HydrophobicContact CG-CZ 4.47Å
572	Y	80.7	Confident	81.8	Confident	37 Å²	37	64.5 Å²	64.5	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-54.7	-49.6	171.5	171.1	-106.7	0	0	0	111.2	I568 H570 Y576 S577 S579 P581 I706 F709	I568-Y572 WeakPolarHBondContact O-CB 3.21Å; I568-Y572 PolarHBondContact O-N 3.38Å; H570-Y572 PolarHBondContact O-N 3.21Å; Y572-Y576 CarbonylContact O-C 3.19Å; Y572-Y576 PolarHBondContact O-N 3Å; Y572-S577 WeakPolarHBondContact O-CA 3.38Å; Y572-S577 PolarHBondContact O-N 2.91Å; Y572-S579 VanDerWaalsContact CD2-OG 3.27Å; Y572-S579 WeakPolarHBondContact CD2-OG 3.43Å; Y572-S579 VanDerWaalsContact CE2-OG 3.29Å; Y572-S579 WeakPolarHBondContact CE2-OG 3.27Å; Y572-P581 HydrophobicContact CE1-CB 4.33Å; Y572-P581 HydrophobicContact CE2-CB 3.96Å; Y572-P581 HydrophobicContact CE2-CG 4.44Å; Y572-I706 HydrophobicContact CD1-CD1 3.62Å; Y572-I706 HydrophobicContact CE1-CD1 3.53Å; Y572-F709 HydrophobicContact CD2-CB 3.84Å; Y572-F709 HydrophobicContact CD2-CD1 4.03Å; Y572-F709 AromaticContact CD2-CG 3.91Å; Y572-F709 HydrophobicContact CD2-CG 3.91Å; Y572-F709 HydrophobicContact CE2-CB 4.38Å; Y572-F709 HydrophobicContact CG-CD1 4.25Å
573	K	83.7	Confident	82.7	Confident	135 Å²	135	64.3 Å²	64.3	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-71.4	-34.5	-177.4	-71.7	178.4	179.4	179.2	0	113.7	I569 H570 Q571	I569-K573 HydrophobicContact CG2-CD 4.03Å; I569-K573 WeakPolarHBondContact O-CB 3.39Å; I569-K573 VanDerWaalsContact O-CG 3.32Å; I569-K573 WeakPolarHBondContact O-CG 3.11Å; I569-K573 PolarHBondContact O-N 3.28Å; H570-K573 PolarHBondContact O-N 3.25Å; H570-K573 VanDerWaalsContact O-N 3.1Å; Q571-K573 VanDerWaalsContact C-N 3.33Å; Q571-K573 PolarHBondContact O-N 3.03Å
574	S	83.9	Confident	83.3	Confident	68 Å²	68	57.7 Å²	57.7	48%	0.476	29%	0.294	S	S	.	.	H	α-helix	trans	-92.4	-36.8	-173.1	65.6	0	0	0	0	113.7	H570 Q571	H570-S574 WeakPolarHBondContact O-CB 3.35Å; H570-S574 PolarHBondContact O-N 2.97Å; H570-S574 PolarHBondContact O-OG 2.87Å; Q571-S574 PolarHBondContact O-N 3.47Å
575	E	80.5	Confident	84	Confident	95 Å²	95	63.1 Å²	63.1	44%	0.444	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-35.4	-171	-68.3	170.1	-152.2	0	0	112.7	Y536 Q571	Y536-E575 WeakPolarHBondContact CE1-O 3.43Å; Y536-E575 VanDerWaalsContact CZ-O 3.3Å; Y536-E575 PolarHBondContact OH-O 2.61Å; Q571-E575 HydrophobicContact CG-CB 4.18Å; Q571-E575 HydrophobicContact CG-CG 4.28Å; Q571-E575 WeakPolarHBondContact CG-OE2 3.34Å; Q571-E575 PolarHBondContact NE2-OE2 2.88Å; Q571-E575 WeakPolarHBondContact O-CA 3.33Å; Q571-E575 WeakPolarHBondContact O-CB 3.43Å; Q571-E575 PolarHBondContact O-N 2.93Å
576	Y	78	Confident	84.8	Confident	29 Å²	29	64 Å²	64	11%	0.114	32%	0.321	C	S	.	.			trans	-124.4	37.2	-169.4	-58.1	-86.1	0	0	0	112.9	Y536 V538 Q571 Y572 Q578 S579 F709 T711	Y536-Y576 VanDerWaalsContact CB-CE1 3.49Å; Y536-Y576 HydrophobicContact CD1-CD1 4.13Å; Y536-Y576 HydrophobicContact CD1-CE1 4.18Å; Y536-Y576 AromaticContact CD2-CD1 3.42Å; Y536-Y576 HydrophobicContact CD2-CD1 3.42Å; Y536-Y576 VanDerWaalsContact CD2-CD1 3.42Å; Y536-Y576 HydrophobicContact CD2-CE1 4.1Å; Y536-Y576 HydrophobicContact CD2-CG 4.37Å; Y536-Y576 HydrophobicContact CE2-CD1 4.02Å; Y536-Y576 AromaticContact CG-CD1 3.48Å; Y536-Y576 HydrophobicContact CG-CD1 3.48Å; Y536-Y576 VanDerWaalsContact CG-CD1 3.48Å; Y536-Y576 AromaticContact CG-CE1 3.66Å; Y536-Y576 HydrophobicContact CG-CE1 3.66Å; V538-Y576 HydrophobicContact CG2-CE1 4.08Å; Q571-Y576 HydrophobicContact CG-CD2 3.97Å; Q571-Y576 HydrophobicContact CG-CE2 3.85Å; Q571-Y576 PolarHBondContact O-N 3.4Å; Y572-Y576 CarbonylContact O-C 3.19Å; Y572-Y576 PolarHBondContact O-N 3Å; Y576-Q578 PolarHBondContact O-N 3.19Å; Y576-S579 WeakPolarHBondContact CB-OG 3.49Å; Y576-S579 WeakPolarHBondContact O-CB 3.33Å; Y576-S579 PolarHBondContact O-N 2.77Å; Y576-S579 PolarHBondContact O-OG 3.42Å; Y576-F709 HydrophobicContact CD1-CE2 4.25Å; Y576-F709 AromaticContact CD2-CE2 3.49Å; Y576-F709 HydrophobicContact CD2-CE2 3.49Å; Y576-F709 VanDerWaalsContact CD2-CE2 3.49Å; Y576-F709 AromaticContact CD2-CZ 3.73Å; Y576-F709 HydrophobicContact CD2-CZ 3.73Å; Y576-F709 HydrophobicContact CE2-CE2 4.2Å; Y576-F709 HydrophobicContact CE2-CZ 4.37Å; Y576-F709 HydrophobicContact CG-CD2 4.25Å; Y576-F709 AromaticContact CG-CE2 3.55Å; Y576-F709 HydrophobicContact CG-CE2 3.55Å; Y576-F709 HydrophobicContact CG-CZ 4.23Å; Y576-T711 HydrophobicContact CD1-CG2 3.86Å; Y576-T711 HydrophobicContact CE1-CG2 4.01Å; Y576-T711 HydrophobicContact CG-CG2 4.34Å
577	S	74.8	Confident	85.6	Confident	76 Å²	76	60.9 Å²	60.9	53%	0.531	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.9	-173.9	65.6	0	0	0	0	113.8	Y572	Y572-S577 WeakPolarHBondContact O-CA 3.38Å; Y572-S577 PolarHBondContact O-N 2.91Å
578	Q	80.7	Confident	86.3	Confident	131 Å²	131	58.6 Å²	58.6	61%	0.612	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.4	174.3	-57.4	-174.4	-5.6	0	0	113.5	L535 Y536 Y576	L535-Q578 WeakPolarHBondContact CD1-O 3.13Å; L535-Q578 HydrophobicContact CD2-CB 3.87Å; Y536-Q578 HydrophobicContact CE2-CB 4.19Å; Y576-Q578 PolarHBondContact O-N 3.19Å
579	S	86.8	Confident	87	Confident	5 Å²	5	60.7 Å²	60.7	4%	0.035	31%	0.308	C	S	.	.	S	Bend	trans	-69.2	166.8	179.1	71.1	0	0	0	0	113.2	Y572 Y576 P581 F709 I710	Y572-S579 VanDerWaalsContact CD2-OG 3.27Å; Y572-S579 WeakPolarHBondContact CD2-OG 3.43Å; Y572-S579 VanDerWaalsContact CE2-OG 3.29Å; Y572-S579 WeakPolarHBondContact CE2-OG 3.27Å; Y576-S579 WeakPolarHBondContact CB-OG 3.49Å; Y576-S579 WeakPolarHBondContact O-CB 3.33Å; Y576-S579 PolarHBondContact O-N 2.77Å; Y576-S579 PolarHBondContact O-OG 3.42Å; S579-P581 WeakPolarHBondContact O-CD 3.42Å; S579-F709 WeakPolarHBondContact OG-CD2 3.32Å; S579-I710 VanDerWaalsContact CB-O 3.25Å; S579-I710 WeakPolarHBondContact CB-O 3.28Å
580	W	91.8	Very high	87.7	Confident	46 Å²	46	58.6 Å²	58.6	17%	0.174	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.7	179.2	-60.1	-86.5	0	0	0	111	N533 L535 T588 I590 F709 I710 V713	N533-W580 HydrophobicContact CB-CH2 4.21Å; L535-W580 HydrophobicContact CD1-CD2 4.36Å; L535-W580 HydrophobicContact CD1-CE3 3.97Å; L535-W580 HydrophobicContact CD1-CH2 3.41Å; L535-W580 VanDerWaalsContact CD1-CH2 3.41Å; L535-W580 HydrophobicContact CD1-CZ2 3.83Å; L535-W580 HydrophobicContact CD1-CZ3 3.5Å; L535-W580 HydrophobicContact CG-CH2 4.18Å; L535-W580 HydrophobicContact CG-CZ3 4.41Å; W580-T588 HydrophobicContact CB-CG2 3.94Å; W580-I590 HydrophobicContact CB-CD1 4.23Å; W580-I590 HydrophobicContact CB-CG1 4.4Å; W580-I590 HydrophobicContact CD2-CD1 3.52Å; W580-I590 HydrophobicContact CD2-CG1 3.81Å; W580-I590 HydrophobicContact CD2-CG2 4.46Å; W580-I590 HydrophobicContact CE3-CD1 3.67Å; W580-I590 HydrophobicContact CE3-CG1 4.44Å; W580-I590 HydrophobicContact CG-CD1 3.76Å; W580-I590 HydrophobicContact CG-CG1 3.74Å; W580-I590 HydrophobicContact CH2-CG2 4.31Å; W580-I590 HydrophobicContact CZ2-CG2 3.78Å; W580-I590 HydrophobicContact CZ3-CD1 4.25Å; W580-F709 CarbonylContact O-C 3.55Å; W580-F709 WeakPolarHBondContact O-CA 3.22Å; W580-F709 WeakPolarHBondContact O-CB 3.42Å; W580-I710 HydrophobicContact CB-CB 4.29Å; W580-I710 HydrophobicContact CE3-CB 4.03Å; W580-I710 HydrophobicContact CE3-CG2 3.93Å; W580-I710 HydrophobicContact CZ3-CG2 4.36Å; W580-I710 PolarHBondContact N-O 2.76Å; W580-I710 PolarHBondContact O-N 2.68Å; W580-V713 HydrophobicContact CZ3-CG2 4.23Å
581	P	92.3	Very high	88.2	Confident	34 Å²	34	59 Å²	59	22%	0.221	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.6	-180	29.7	-33.5	0	0	0	111	Y572 S579 T588 I706	Y572-P581 HydrophobicContact CE1-CB 4.33Å; Y572-P581 HydrophobicContact CE2-CB 3.96Å; Y572-P581 HydrophobicContact CE2-CG 4.44Å; S579-P581 WeakPolarHBondContact O-CD 3.42Å; P581-T588 PolarHBondContact O-OG1 3.08Å; P581-T588 VanDerWaalsContact O-OG1 3.13Å; P581-I706 HydrophobicContact CB-CD1 3.93Å; P581-I706 HydrophobicContact CB-CG1 4.13Å; P581-I706 HydrophobicContact CB-CG2 4.12Å
582	L	93.1	Very high	88.8	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119	172.7	-60.8	171.2	0	0	0	108.6	T588 L637 I686 I706 N707 G708 I710	L582-T588 HydrophobicContact CD2-CG2 4.3Å; L582-L637 HydrophobicContact CD1-CD1 4.22Å; L582-L637 HydrophobicContact CD1-CD2 3.97Å; L582-I686 HydrophobicContact CD2-CB 4.13Å; L582-I686 HydrophobicContact CD2-CG2 3.68Å; L582-I706 CarbonylContact O-C 3.56Å; L582-I706 WeakPolarHBondContact O-CA 3.46Å; L582-N707 PolarHBondContact O-N 3.31Å; L582-G708 PolarHBondContact N-O 3.37Å; L582-G708 PolarHBondContact O-N 2.93Å; L582-I710 HydrophobicContact CD1-CD1 3.82Å; L582-I710 HydrophobicContact CD1-CG1 4.16Å; L582-I710 HydrophobicContact CD2-CD1 4.47Å; L582-I710 HydrophobicContact CD2-CG1 4.13Å; L582-I710 HydrophobicContact CG-CD1 4.49Å; L582-I710 HydrophobicContact CG-CG1 4.3Å
583	K	90.3	Very high	89.5	Confident	81 Å²	81	60.4 Å²	60.4	35%	0.352	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.8	-178.4	-64.2	179	-176.5	-178	0	109.7	K585 S586 I706	K583-K585 PolarHBondContact O-N 3.33Å; K583-S586 WeakPolarHBondContact O-CB 3.25Å; K583-S586 PolarHBondContact O-N 3.41Å; K583-I706 HydrophobicContact CG-CG1 4.42Å
584	S	89.1	Confident	90.1	Very high	17 Å²	17	54 Å²	54	12%	0.119	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	136	175.3	-170	0	0	0	0	112.3	S586 G690 E693 N705 N707	S584-S586 PolarHBondContact O-N 3.41Å; S584-S586 VanDerWaalsContact O-N 3.16Å; S584-S586 PolarHBondContact O-OG 2.94Å; S584-G690 WeakPolarHBondContact OG-CA 3.39Å; S584-E693 WeakPolarHBondContact CB-OE1 3.3Å; S584-E693 PolarHBondContact OG-OE1 3.49Å; S584-N705 PolarHBondContact N-O 3.1Å; S584-N707 WeakPolarHBondContact CA-ND2 3.17Å; S584-N707 VanDerWaalsContact CB-ND2 3.34Å; S584-N707 WeakPolarHBondContact CB-ND2 3.49Å
585	K	91.6	Very high	90.6	Very high	142 Å²	142	56 Å²	56	62%	0.617	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	34.3	177.3	-58.7	173.9	-173.9	166.7	0	113.4	K583 D688	K583-K585 PolarHBondContact O-N 3.33Å; K585-D688 WeakPolarHBondContact CA-O 3.45Å; K585-D688 PolarHBondContact N-O 3.26Å
586	S	94.2	Very high	91.3	Very high	46 Å²	46	56.5 Å²	56.5	32%	0.322	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.5	-173.7	-56.7	0	0	0	0	111.7	K583 S584 D688	K583-S586 WeakPolarHBondContact O-CB 3.25Å; K583-S586 PolarHBondContact O-N 3.41Å; S584-S586 PolarHBondContact O-N 3.41Å; S584-S586 VanDerWaalsContact O-N 3.16Å; S584-S586 PolarHBondContact O-OG 2.94Å; S586-D688 PolarHBondContact N-O 2.93Å; S586-D688 PolarHBondContact O-N 3.11Å
587	D	96.5	Very high	92.1	Very high	79 Å²	79	56.1 Å²	56.1	42%	0.422	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134	172.2	-67.7	-27.1	0	0	0	110.8	K685 H687	D587-K685 WeakPolarHBondContact OD1-CE 3.37Å; D587-K685 IonicContact OD1-NZ 3.75Å; D587-K685 WeakPolarHBondContact OD2-CE 3.44Å; D587-K685 IonicContact OD2-NZ 3.95Å; D587-K685 PolarHBondContact OD2-NZ 3Å; D587-H687 WeakPolarHBondContact OD1-CB 3.46Å; D587-H687 IonicContact OD1-CE1 3.13Å; D587-H687 IonicContact OD1-CG 2.69Å; D587-H687 IonicContact OD1-ND1 3.22Å; D587-H687 PolarHBondContact OD1-ND1 2.92Å
588	T	95.8	Very high	93.2	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.4	165.1	-57.7	0	0	0	0	108.2	W580 P581 L582 I686	W580-T588 HydrophobicContact CB-CG2 3.94Å; P581-T588 PolarHBondContact O-OG1 3.08Å; P581-T588 VanDerWaalsContact O-OG1 3.13Å; L582-T588 HydrophobicContact CD2-CG2 4.3Å; T588-I686 PolarHBondContact N-O 2.91Å; T588-I686 PolarHBondContact O-N 3.19Å
589	V	96.7	Very high	93.9	Very high	50 Å²	50	49.3 Å²	49.3	30%	0.303	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.4	-178.3	-173.1	0	0	0	0	110	Y591 K683 L684 K685	V589-Y591 HydrophobicContact CB-CE2 4.14Å; V589-Y591 HydrophobicContact CG1-CD1 4.41Å; V589-Y591 HydrophobicContact CG1-CD2 4.36Å; V589-Y591 HydrophobicContact CG1-CE1 3.91Å; V589-Y591 HydrophobicContact CG1-CE2 3.84Å; V589-K683 HydrophobicContact CG1-CB 4.05Å; V589-K683 HydrophobicContact CG1-CG 4.43Å; V589-L684 WeakPolarHBondContact CA-O 3.34Å; V589-K685 HydrophobicContact CG2-CB 4.5Å; V589-K685 HydrophobicContact CG2-CG 4.39Å
590	I	95.2	Very high	94.4	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127	174.4	-54.6	176.9	0	0	0	107.8	W580 F592 K683 L684 I686 I710 V713	W580-I590 HydrophobicContact CB-CD1 4.23Å; W580-I590 HydrophobicContact CB-CG1 4.4Å; W580-I590 HydrophobicContact CD2-CD1 3.52Å; W580-I590 HydrophobicContact CD2-CG1 3.81Å; W580-I590 HydrophobicContact CD2-CG2 4.46Å; W580-I590 HydrophobicContact CE3-CD1 3.67Å; W580-I590 HydrophobicContact CE3-CG1 4.44Å; W580-I590 HydrophobicContact CG-CD1 3.76Å; W580-I590 HydrophobicContact CG-CG1 3.74Å; W580-I590 HydrophobicContact CH2-CG2 4.31Å; W580-I590 HydrophobicContact CZ2-CG2 3.78Å; W580-I590 HydrophobicContact CZ3-CD1 4.25Å; I590-F592 HydrophobicContact CB-CZ 4.29Å; I590-F592 HydrophobicContact CG2-CE1 3.98Å; I590-F592 HydrophobicContact CG2-CE2 4.21Å; I590-F592 HydrophobicContact CG2-CZ 3.63Å; I590-K683 WeakPolarHBondContact O-CA 3.38Å; I590-L684 HydrophobicContact CB-CB 4.32Å; I590-L684 HydrophobicContact CD1-CD2 4.31Å; I590-L684 PolarHBondContact N-O 3.38Å; I590-L684 PolarHBondContact O-N 2.94Å; I590-I686 HydrophobicContact CD1-CD1 4.3Å; I590-I710 HydrophobicContact CD1-CB 4.3Å; I590-I710 HydrophobicContact CD1-CG1 4.39Å; I590-I710 HydrophobicContact CD1-CG2 4.06Å; I590-V713 HydrophobicContact CD1-CG2 3.78Å
591	Y	94.7	Very high	94.5	Very high	130 Å²	130	51 Å²	51	51%	0.51	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.3	-176.9	-63.3	-86.3	0	0	0	111.1	V589 L681 W682 K683	V589-Y591 HydrophobicContact CB-CE2 4.14Å; V589-Y591 HydrophobicContact CG1-CD1 4.41Å; V589-Y591 HydrophobicContact CG1-CD2 4.36Å; V589-Y591 HydrophobicContact CG1-CE1 3.91Å; V589-Y591 HydrophobicContact CG1-CE2 3.84Å; Y591-L681 HydrophobicContact CD1-CD1 3.95Å; Y591-L681 HydrophobicContact CD1-CD2 3.98Å; Y591-L681 HydrophobicContact CD1-CG 4.07Å; Y591-L681 HydrophobicContact CE1-CD2 4.32Å; Y591-L681 HydrophobicContact CG-CD1 4.43Å; Y591-W682 WeakPolarHBondContact CA-O 3.46Å; Y591-K683 HydrophobicContact CD1-CG 3.81Å; Y591-K683 HydrophobicContact CE1-CD 4.12Å; Y591-K683 HydrophobicContact CE1-CG 3.79Å
592	F	94.7	Very high	94.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.2	169.9	-41.8	-89.5	0	0	0	108	Y531 N533 I590 I594 W682 L684 V713 L715	Y531-F592 HydrophobicContact CD1-CB 4.06Å; Y531-F592 AromaticContact CD1-CD1 3.71Å; Y531-F592 HydrophobicContact CD1-CD1 3.71Å; Y531-F592 HydrophobicContact CD1-CG 4.33Å; Y531-F592 HydrophobicContact CE1-CB 3.95Å; Y531-F592 AromaticContact CE1-CD1 3.74Å; Y531-F592 HydrophobicContact CE1-CD1 3.74Å; Y531-F592 HydrophobicContact CE1-CG 4.35Å; N533-F592 HydrophobicContact CB-CE1 4.29Å; I590-F592 HydrophobicContact CB-CZ 4.29Å; I590-F592 HydrophobicContact CG2-CE1 3.98Å; I590-F592 HydrophobicContact CG2-CE2 4.21Å; I590-F592 HydrophobicContact CG2-CZ 3.63Å; F592-I594 HydrophobicContact CB-CG1 4.43Å; F592-I594 PolarHBondContact O-N 3.17Å; F592-W682 HydrophobicContact CB-CB 4.17Å; F592-W682 HydrophobicContact CD2-CB 4.12Å; F592-W682 PolarHBondContact N-O 3.45Å; F592-W682 PolarHBondContact O-N 3.29Å; F592-L684 HydrophobicContact CE2-CB 3.68Å; F592-L684 HydrophobicContact CZ-CB 4.21Å; F592-L684 HydrophobicContact CZ-CD2 4.44Å; F592-V713 HydrophobicContact CE1-CB 4.25Å; F592-V713 HydrophobicContact CE1-CG1 3.88Å; F592-V713 HydrophobicContact CZ-CB 4.2Å; F592-V713 HydrophobicContact CZ-CG1 3.56Å; F592-L715 HydrophobicContact CB-CD1 4.34Å; F592-L715 HydrophobicContact CD1-CB 4.38Å; F592-L715 HydrophobicContact CD2-CD1 3.66Å; F592-L715 HydrophobicContact CE1-CB 4.47Å; F592-L715 HydrophobicContact CE2-CD1 4.09Å; F592-L715 HydrophobicContact CG-CD1 3.92Å
593	N	95.2	Very high	94.4	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	93.9	178	-174.4	22.8	0	0	0	109.3	T595 L681	N593-T595 PolarHBondContact O-N 3.18Å; N593-L681 HydrophobicContact CB-CD1 4.19Å
594	I	95.4	Very high	94.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.5	-175.4	-55.3	-178.2	0	0	0	108.3	L529 Y531 F592 L597 A679 G680 W682 L715 I717	L529-I594 HydrophobicContact CD1-CG2 4.14Å; L529-I594 HydrophobicContact CD2-CD1 4.4Å; L529-I594 HydrophobicContact CD2-CG2 4.35Å; Y531-I594 HydrophobicContact CD2-CG1 4.02Å; Y531-I594 HydrophobicContact CG-CG1 4.34Å; F592-I594 HydrophobicContact CB-CG1 4.43Å; F592-I594 PolarHBondContact O-N 3.17Å; I594-L597 HydrophobicContact CG2-CD2 3.88Å; I594-A679 WeakPolarHBondContact O-CA 3.19Å; I594-G680 PolarHBondContact N-O 3.36Å; I594-G680 PolarHBondContact O-N 2.86Å; I594-W682 HydrophobicContact CD1-CG 4.31Å; I594-L715 HydrophobicContact CD1-CD2 3.8Å; I594-I717 HydrophobicContact CD1-CD1 3.55Å; I594-I717 HydrophobicContact CD1-CG1 4.41Å
595	T	94.4	Very high	93.9	Very high	111 Å²	111	52 Å²	52	68%	0.681	28%	0.275	S	S	*	.			trans	-122.3	-34.6	179.1	50.2	0	0	0	0	112.1	N593	N593-T595 PolarHBondContact O-N 3.18Å
596	D	95.3	Very high	93.6	Very high	105 Å²	105	47.1 Å²	47.1	56%	0.561	26%	0.261	S	S	*	.			trans	-81.6	118	166.4	-177.2	3.8	0	0	0	109	L529 S598	L529-D596 WeakPolarHBondContact CD1-O 3.29Å; D596-S598 VanDerWaalsContact CG-OG 3.23Å; D596-S598 WeakPolarHBondContact OD1-CB 3.38Å; D596-S598 PolarHBondContact OD1-N 3.06Å; D596-S598 PolarHBondContact OD1-OG 3.1Å; D596-S598 PolarHBondContact OD2-OG 3.37Å; D596-S598 VanDerWaalsContact OD2-OG 3.08Å
597	L	96.4	Very high	93.2	Very high	20 Å²	20	47 Å²	47	11%	0.105	26%	0.256	C	S	.	.			trans	-100.3	10.1	178.8	-61.9	-177.6	0	0	0	112.8	L529 I594 G599 Q616 V617 A678 A679	L529-L597 HydrophobicContact CD1-CD2 4.4Å; I594-L597 HydrophobicContact CG2-CD2 3.88Å; L597-G599 PolarHBondContact O-N 3.01Å; L597-Q616 WeakPolarHBondContact O-CA 3.24Å; L597-V617 PolarHBondContact O-N 3.08Å; L597-A678 HydrophobicContact CD2-CB 4.1Å; L597-A679 HydrophobicContact CD1-CB 4.08Å; L597-A679 HydrophobicContact CD2-CB 4.04Å; L597-A679 HydrophobicContact CG-CB 4.35Å
598	S	96.6	Very high	92.9	Very high	55 Å²	55	50.5 Å²	50.5	39%	0.385	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.7	177.9	67	0	0	0	0	111.6	D596	D596-S598 VanDerWaalsContact CG-OG 3.23Å; D596-S598 WeakPolarHBondContact OD1-CB 3.38Å; D596-S598 PolarHBondContact OD1-N 3.06Å; D596-S598 PolarHBondContact OD1-OG 3.1Å; D596-S598 PolarHBondContact OD2-OG 3.37Å; D596-S598 VanDerWaalsContact OD2-OG 3.08Å
599	G	96	Very high	92.5	Very high	10 Å²	10	52.5 Å²	52.5	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	-176.4	177.5	0	0	0	0	0	111.2	V528 L597 C615	V528-G599 CarbonylContact O-C 3.56Å; V528-G599 WeakPolarHBondContact O-CA 3.37Å; L597-G599 PolarHBondContact O-N 3.01Å; G599-C615 VanDerWaalsContact C-SG 3.51Å; G599-C615 PolarHBondContact N-O 3.3Å; G599-C615 PolarHBondContact O-N 2.61Å
600	L	96.8	Very high	92.2	Very high	82 Å²	82	53.3 Å²	53.3	43%	0.429	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.6	178	-66.4	178	0	0	0	110.1	V528 T613	V528-L600 PolarHBondContact N-O 2.94Å; V528-L600 PolarHBondContact O-N 3.12Å; L600-T613 WeakPolarHBondContact CA-O 3.16Å
601	T	95.1	Very high	92	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.6	176.9	52.8	0	0	0	0	111	P525 L526 I609 A610 N612 T613 C615	P525-T601 HydrophobicContact CB-CG2 4.01Å; P525-T601 HydrophobicContact CG-CG2 4.44Å; L526-T601 CarbonylContact O-C 3.59Å; L526-T601 VanDerWaalsContact O-CA 3.24Å; L526-T601 WeakPolarHBondContact O-CA 3.15Å; T601-I609 HydrophobicContact CG2-CG2 4.06Å; T601-A610 PolarHBondContact OG1-O 2.86Å; T601-N612 PolarHBondContact O-N 3.19Å; T601-N612 PolarHBondContact OG1-N 3.11Å; T601-T613 PolarHBondContact N-O 2.87Å; T601-T613 WeakPolarHBondContact OG1-CB 3.29Å; T601-T613 PolarHBondContact OG1-N 3.34Å; T601-T613 PolarHBondContact OG1-O 2.84Å; T601-C615 HydrophobicContact CG2-CB 4.03Å; T601-C615 PolarHBondContact N-SG 3.22Å; T601-C615 VanDerWaalsContact N-SG 3.39Å
602	Q	93.9	Very high	92	Very high	56 Å²	56	56.3 Å²	56.3	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.8	175	-161.4	177.4	31.6	0	0	110.5	L526 V528 S604 E611	L526-Q602 WeakPolarHBondContact CB-O 3.35Å; L526-Q602 HydrophobicContact CD2-CB 4.25Å; L526-Q602 PolarHBondContact O-N 2.78Å; V528-Q602 HydrophobicContact CG2-CB 3.57Å; V528-Q602 HydrophobicContact CG2-CG 4.48Å; Q602-S604 VanDerWaalsContact C-N 3.28Å; Q602-S604 PolarHBondContact O-N 3.02Å; Q602-S604 VanDerWaalsContact O-N 3.17Å; Q602-S604 PolarHBondContact O-OG 3.32Å; Q602-E611 WeakPolarHBondContact CA-OE2 3.29Å
603	Y	89.2	Confident	92	Very high	24 Å²	24	59 Å²	59	9%	0.094	33%	0.334	C	S	.	.	S	Bend	trans	50.7	40.2	173.8	-48.2	-49	0	0	0	114.5	S332 L335 A336 W469 L526 E611	S332-Y603 VanDerWaalsContact CB-OH 3.3Å; S332-Y603 WeakPolarHBondContact CB-OH 3.14Å; S332-Y603 PolarHBondContact OG-OH 2.98Å; L335-Y603 HydrophobicContact CB-CD1 4.46Å; L335-Y603 HydrophobicContact CB-CD2 4.44Å; L335-Y603 HydrophobicContact CB-CE1 4.47Å; L335-Y603 HydrophobicContact CB-CE2 4.43Å; L335-Y603 HydrophobicContact CB-CG 4.44Å; L335-Y603 HydrophobicContact CD2-CD2 4.35Å; L335-Y603 HydrophobicContact CD2-CE2 4.1Å; A336-Y603 HydrophobicContact CB-CD1 3.72Å; A336-Y603 HydrophobicContact CB-CE1 4.07Å; W469-Y603 AromaticContact CZ2-CD2 3.94Å; W469-Y603 HydrophobicContact CZ2-CD2 3.94Å; L526-Y603 HydrophobicContact CD2-CD2 3.99Å; Y603-E611 VanDerWaalsContact CA-OE1 3.25Å; Y603-E611 WeakPolarHBondContact CA-OE1 3.41Å; Y603-E611 VanDerWaalsContact N-CD 3.29Å; Y603-E611 PolarHBondContact N-OE1 3.04Å; Y603-E611 VanDerWaalsContact N-OE1 3.1Å; Y603-E611 PolarHBondContact N-OE2 3.21Å
604	S	84.5	Confident	92	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.346	C	S	.	.			trans	-102.8	20.9	-170.3	-60.5	0	0	0	0	113.7	P525 Q602 A606 Q607 N608 I609 E611	P525-S604 WeakPolarHBondContact CB-OG 3.34Å; Q602-S604 VanDerWaalsContact C-N 3.28Å; Q602-S604 PolarHBondContact O-N 3.02Å; Q602-S604 VanDerWaalsContact O-N 3.17Å; Q602-S604 PolarHBondContact O-OG 3.32Å; S604-A606 PolarHBondContact O-N 3.39Å; S604-Q607 PolarHBondContact O-N 2.85Å; S604-Q607 PolarHBondContact O-OE1 3.37Å; S604-N608 PolarHBondContact O-N 3.27Å; S604-I609 PolarHBondContact O-N 2.9Å; S604-E611 PolarHBondContact N-OE1 3.14Å
605	L	83.2	Confident	92	Very high	73 Å²	73	61.1 Å²	61.1	38%	0.382	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-61.6	-41.7	-177.1	-175	62.6	0	0	0	112.6	K337 Q607 N608	K337-L605 HydrophobicContact CD-CD2 4.24Å; L605-Q607 PolarHBondContact O-N 3.04Å; L605-N608 PolarHBondContact O-N 3.05Å
606	A	86	Confident	92.1	Very high	38 Å²	38	60 Å²	60	31%	0.314	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-60.7	-27	178.1	0	0	0	0	0	113.2	L342 T468 S604	L342-A606 HydrophobicContact CD2-CB 3.91Å; T468-A606 HydrophobicContact CG2-CB 3.78Å; S604-A606 PolarHBondContact O-N 3.39Å
607	Q	86.6	Confident	92.2	Very high	45 Å²	45	55 Å²	55	21%	0.21	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-91.4	3.3	178.1	-63.9	83.6	-4.4	0	0	113.1	S604 L605 I609	S604-Q607 PolarHBondContact O-N 2.85Å; S604-Q607 PolarHBondContact O-OE1 3.37Å; L605-Q607 PolarHBondContact O-N 3.04Å; Q607-I609 HydrophobicContact CB-CD1 3.94Å; Q607-I609 HydrophobicContact CB-CG1 4.22Å; Q607-I609 PolarHBondContact O-N 3.48Å
608	N	89.3	Confident	92.2	Very high	152 Å²	152	56.2 Å²	56.2	81%	0.813	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	31.6	-173.1	-60.5	-56.7	0	0	0	113.8	S604 L605	S604-N608 PolarHBondContact O-N 3.27Å; L605-N608 PolarHBondContact O-N 3.05Å
609	I	88.3	Confident	92.2	Very high	57 Å²	57	55.3 Å²	55.3	29%	0.292	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-103.5	133.6	178.1	-68.5	167.6	0	0	0	108.6	P525 T601 S604 Q607	P525-I609 HydrophobicContact CB-CD1 3.67Å; P525-I609 HydrophobicContact CB-CG2 4.45Å; P525-I609 HydrophobicContact CG-CD1 3.66Å; T601-I609 HydrophobicContact CG2-CG2 4.06Å; S604-I609 PolarHBondContact O-N 2.9Å; Q607-I609 HydrophobicContact CB-CD1 3.94Å; Q607-I609 HydrophobicContact CB-CG1 4.22Å; Q607-I609 PolarHBondContact O-N 3.48Å
610	A	90	Very high	92.3	Very high	68 Å²	68	54.9 Å²	54.9	56%	0.562	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-65.5	138.2	176.3	0	0	0	0	0	110.7	T601 T613	T601-A610 PolarHBondContact OG1-O 2.86Å; A610-T613 PolarHBondContact O-OG1 3.13Å
611	E	91	Very high	92.3	Very high	76 Å²	76	51.3 Å²	51.3	36%	0.355	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	151	171.5	-56.9	-60.7	164.4	0	0	110.8	Q602 Y603 S604 T613	Q602-E611 WeakPolarHBondContact CA-OE2 3.29Å; Y603-E611 VanDerWaalsContact CA-OE1 3.25Å; Y603-E611 WeakPolarHBondContact CA-OE1 3.41Å; Y603-E611 VanDerWaalsContact N-CD 3.29Å; Y603-E611 PolarHBondContact N-OE1 3.04Å; Y603-E611 VanDerWaalsContact N-OE1 3.1Å; Y603-E611 PolarHBondContact N-OE2 3.21Å; S604-E611 PolarHBondContact N-OE1 3.14Å; E611-T613 PolarHBondContact O-N 2.8Å
612	N	93.8	Very high	92.4	Very high	117 Å²	117	51.4 Å²	51.4	63%	0.626	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	26.4	-177.5	-49.6	-63.7	0	0	0	114.8	T601	T601-N612 PolarHBondContact O-N 3.19Å; T601-N612 PolarHBondContact OG1-N 3.11Å
613	T	95.2	Very high	92.6	Very high	56 Å²	56	48.8 Å²	48.8	34%	0.344	28%	0.275	S	S	.	.			trans	-79.8	135.2	168.7	-57.4	0	0	0	0	109	L600 T601 A610 E611 C615	L600-T613 WeakPolarHBondContact CA-O 3.16Å; T601-T613 PolarHBondContact N-O 2.87Å; T601-T613 WeakPolarHBondContact OG1-CB 3.29Å; T601-T613 PolarHBondContact OG1-N 3.34Å; T601-T613 PolarHBondContact OG1-O 2.84Å; A610-T613 PolarHBondContact O-OG1 3.13Å; E611-T613 PolarHBondContact O-N 2.8Å; T613-C615 PolarHBondContact O-N 2.68Å
614	P	95.7	Very high	93	Very high	109 Å²	109	48 Å²	48	71%	0.708	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	134.3	174.3	-26.4	35.4	0	0	0	112.6
615	C	95.1	Very high	93.5	Very high	25 Å²	25	48.1 Å²	48.1	17%	0.169	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-178.2	179.1	56.2	0	0	0	0	110.8	C527 G599 T601 T613	C527-C615 WeakPolarHBondContact CA-SG 3.29Å; C527-C615 HydrophobicContact CB-CB 3.82Å; C527-C615 WeakPolarHBondContact CB-SG 3.44Å; C527-C615 WeakPolarHBondContact SG-CB 3.45Å; C527-C615 CovalentContact SG-SG 2.02Å; C527-C615 PolarHBondContact SG-SG 3.21Å; G599-C615 VanDerWaalsContact C-SG 3.51Å; G599-C615 PolarHBondContact N-O 3.3Å; G599-C615 PolarHBondContact O-N 2.61Å; T601-C615 HydrophobicContact CG2-CB 4.03Å; T601-C615 PolarHBondContact N-SG 3.22Å; T601-C615 VanDerWaalsContact N-SG 3.39Å; T613-C615 PolarHBondContact O-N 2.68Å
616	Q	95.7	Very high	93.9	Very high	86 Å²	86	47.4 Å²	47.4	40%	0.402	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.9	176.3	-62.8	-65.3	-60.4	0	0	110.7	C527 L597 T720 S721	C527-Q616 VanDerWaalsContact SG-C 3.54Å; C527-Q616 PolarHBondContact SG-N 2.72Å; C527-Q616 VanDerWaalsContact SG-N 3.41Å; L597-Q616 WeakPolarHBondContact O-CA 3.24Å; Q616-T720 CarbonylContact O-C 3.59Å; Q616-S721 PolarHBondContact O-N 3.28Å
617	V	97	Very high	94.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.			trans	-102.9	76.6	173.9	-171.2	0	0	0	0	108.7	C527 L529 L597 A678 I717	C527-V617 HydrophobicContact CB-CG2 3.72Å; C527-V617 WeakPolarHBondContact SG-CG2 3.09Å; L529-V617 HydrophobicContact CB-CB 4.01Å; L529-V617 HydrophobicContact CB-CG2 3.54Å; L597-V617 PolarHBondContact O-N 3.08Å; V617-A678 HydrophobicContact CG1-CB 4.47Å; V617-A678 VanDerWaalsContact O-CB 3.24Å; V617-A678 WeakPolarHBondContact O-CB 3.37Å; V617-I717 HydrophobicContact CG1-CB 4.16Å; V617-I717 HydrophobicContact CG1-CG2 3.6Å
618	D	96.7	Very high	94.4	Very high	46 Å²	46	44.9 Å²	44.9	25%	0.246	25%	0.249	C	C	.	.			trans	-76.7	-43.3	178.3	-64.4	-58.7	0	0	0	111.6	I677 A678 T720 S721 K722	D618-I677 WeakPolarHBondContact O-CA 3.31Å; D618-A678 PolarHBondContact O-N 2.9Å; D618-T720 PolarHBondContact N-O 2.83Å; D618-S721 VanDerWaalsContact OD2-CA 3.28Å; D618-S721 WeakPolarHBondContact OD2-CA 3.37Å; D618-K722 HydrophobicContact CB-CB 3.99Å; D618-K722 PolarHBondContact OD2-N 3.44Å
619	M	97.2	Very high	94.5	Very high	36 Å²	36	37.8 Å²	37.8	18%	0.177	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.8	-173.1	-54.7	-63.8	-83.3	0	0	110	G675 E676 I677 G719 T720 N725	M619-G675 WeakPolarHBondContact CE-O 3.12Å; M619-E676 CarbonylContact C-O 3.32Å; M619-E676 WeakPolarHBondContact CA-O 3.49Å; M619-I677 HydrophobicContact SD-CG1 4.46Å; M619-G719 CarbonylContact O-C 3.46Å; M619-G719 WeakPolarHBondContact O-CA 3.31Å; M619-T720 PolarHBondContact N-O 2.72Å; M619-T720 PolarHBondContact O-N 3.26Å; M619-N725 HydrophobicContact CB-CB 4.15Å; M619-N725 HydrophobicContact CG-CB 4.15Å
620	V	98.1	Very high	94.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.7	-178.1	179.4	0	0	0	0	110.5	V623 H673 W674 G675 E676 A678 W682 I717	V620-V623 HydrophobicContact CG1-CG2 3.73Å; V620-H673 WeakPolarHBondContact CB-O 3.49Å; V620-H673 HydrophobicContact CG1-CB 4.07Å; V620-W674 CarbonylContact O-C 3.56Å; V620-W674 WeakPolarHBondContact O-CA 3.1Å; V620-G675 PolarHBondContact O-N 2.84Å; V620-E676 PolarHBondContact N-O 2.75Å; V620-A678 HydrophobicContact CG2-CB 3.75Å; V620-W682 HydrophobicContact CG2-CH2 4.18Å; V620-W682 HydrophobicContact CG2-CZ2 3.89Å; V620-I717 HydrophobicContact CB-CG2 4.38Å; V620-I717 HydrophobicContact CG1-CG2 4.16Å; V620-I717 HydrophobicContact CG2-CG2 3.95Å
621	E	97.4	Very high	94.4	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.033	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-44.3	164	-69.3	177.2	-168.2	0	0	109.3	R470 H474 W674 R718 T720	R470-E621 WeakPolarHBondContact CD-OE2 3.24Å; R470-E621 IonicContact CZ-OE1 3.96Å; R470-E621 IonicContact NE-OE1 3.28Å; R470-E621 PolarHBondContact NE-OE1 3.38Å; R470-E621 IonicContact NE-OE2 3.84Å; R470-E621 PolarHBondContact NE-OE2 2.99Å; R470-E621 IonicContact NH2-OE1 3.72Å; R470-E621 PolarHBondContact NH2-OE1 2.77Å; H474-E621 IonicContact CD2-OE1 3.31Å; H474-E621 IonicContact CE1-OE1 2.65Å; H474-E621 PolarHBondContact CE1-OE1 3.37Å; H474-E621 IonicContact NE2-OE1 2.82Å; H474-E621 PolarHBondContact NE2-OE1 3.09Å; H474-E621 IonicContact NE2-OE2 3.85Å; E621-W674 HydrophobicContact CB-CD2 4.4Å; E621-W674 HydrophobicContact CB-CE3 4.2Å; E621-W674 HydrophobicContact CB-CH2 3.68Å; E621-W674 HydrophobicContact CB-CZ2 3.99Å; E621-W674 HydrophobicContact CB-CZ3 3.79Å; E621-W674 HydrophobicContact CG-CH2 3.98Å; E621-W674 HydrophobicContact CG-CZ2 3.83Å; E621-W674 WeakPolarHBondContact O-CZ3 3.07Å; E621-R718 WeakPolarHBondContact CA-O 3.5Å; E621-R718 WeakPolarHBondContact CB-O 3.35Å; E621-R718 PolarHBondContact N-O 3.15Å; E621-T720 WeakPolarHBondContact OE1-CG2 3.35Å
622	Q	97	Very high	94.3	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.028	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	139.4	-177.3	-178.3	-177.2	57.3	0	0	110.2	P369 I624 T669 S670 R718	P369-Q622 VanDerWaalsContact CA-NE2 3.25Å; P369-Q622 VanDerWaalsContact CB-OE1 3.26Å; P369-Q622 PolarHBondContact O-NE2 3.14Å; P369-Q622 PolarHBondContact O-OE1 3.2Å; Q622-I624 HydrophobicContact CG-CG1 4.15Å; Q622-T669 HydrophobicContact CG-CG2 3.46Å; Q622-T669 VanDerWaalsContact CG-CG2 3.46Å; Q622-S670 WeakPolarHBondContact CA-O 3.49Å; Q622-R718 HydrophobicContact CB-CB 4.19Å; Q622-R718 PolarHBondContact N-O 2.55Å; Q622-R718 PolarHBondContact O-N 2.99Å
623	V	98.1	Very high	94	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.8	172	-168.7	0	0	0	0	109.2	V620 L641 T669 S670 W682 L715 T716 I717	V620-V623 HydrophobicContact CG1-CG2 3.73Å; V623-L641 HydrophobicContact CB-CD2 3.79Å; V623-L641 HydrophobicContact CG1-CD2 3.52Å; V623-L641 HydrophobicContact CG2-CD2 4.34Å; V623-T669 CarbonylContact O-C 3.54Å; V623-T669 WeakPolarHBondContact O-CA 3.44Å; V623-S670 PolarHBondContact N-O 2.94Å; V623-S670 PolarHBondContact O-N 3.48Å; V623-W682 HydrophobicContact CG2-CH2 3.71Å; V623-W682 HydrophobicContact CG2-CZ3 3.86Å; V623-L715 HydrophobicContact CG1-CD1 4.32Å; V623-L715 HydrophobicContact CG1-CD2 4.11Å; V623-L715 HydrophobicContact CG1-CG 3.93Å; V623-T716 WeakPolarHBondContact CA-O 3.27Å; V623-I717 HydrophobicContact CG1-CG1 4.44Å
624	I	97	Very high	93.8	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.041	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.9	-176	-51.5	165.8	0	0	0	107.3	P369 Q622 I667 F668 T716 R718	P369-I624 HydrophobicContact CB-CD1 3.42Å; P369-I624 VanDerWaalsContact CB-CD1 3.42Å; P369-I624 HydrophobicContact CB-CG1 3.82Å; P369-I624 HydrophobicContact CG-CD1 3.93Å; Q622-I624 HydrophobicContact CG-CG1 4.15Å; I624-I667 HydrophobicContact CG2-CG2 3.63Å; I624-F668 CarbonylContact C-O 3.54Å; I624-F668 WeakPolarHBondContact CA-O 3.45Å; I624-T716 HydrophobicContact CD1-CG2 4.33Å; I624-T716 PolarHBondContact N-O 3.28Å; I624-T716 PolarHBondContact O-N 2.85Å; I624-R718 HydrophobicContact CD1-CG 4.11Å
625	L	95.4	Very high	93.6	Very high	2 Å²	2	17 Å²	17	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.5	179.4	-72.3	170.4	0	0	0	109.6	I627 L641 I651 I667 F668 L684 V713 Q714 L715	L625-I627 HydrophobicContact CB-CD1 4.29Å; L625-I627 HydrophobicContact CB-CG1 4.17Å; L625-L641 HydrophobicContact CD1-CB 4.17Å; L625-L641 HydrophobicContact CD1-CD1 4.13Å; L625-L641 HydrophobicContact CD1-CD2 3.95Å; L625-L641 HydrophobicContact CD1-CG 4.29Å; L625-L641 HydrophobicContact CG-CD2 4.41Å; L625-I651 HydrophobicContact CD1-CD1 3.42Å; L625-I651 VanDerWaalsContact CD1-CD1 3.42Å; L625-I667 CarbonylContact O-C 3.46Å; L625-I667 WeakPolarHBondContact O-CA 3.38Å; L625-F668 HydrophobicContact CB-CB 4.39Å; L625-F668 PolarHBondContact N-O 2.71Å; L625-F668 PolarHBondContact O-N 3.22Å; L625-L684 HydrophobicContact CD1-CD1 4.16Å; L625-V713 HydrophobicContact CD2-CG1 4.25Å; L625-Q714 WeakPolarHBondContact CA-O 3.47Å; L625-L715 HydrophobicContact CD2-CB 3.88Å; L625-L715 HydrophobicContact CD2-CD1 4.04Å; L625-L715 HydrophobicContact CD2-CG 3.93Å
626	H	92.5	Very high	93.5	Very high	58 Å²	58	15.9 Å²	15.9	27%	0.269	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.6	165.4	-76.2	-148.6	0	0	0	107.9	M666 I667 V713 Q714	H626-M666 WeakPolarHBondContact CA-O 3.35Å; H626-I667 VanDerWaalsContact CE1-CD1 3.41Å; H626-I667 WeakPolarHBondContact CE1-CD1 3.28Å; H626-I667 VanDerWaalsContact NE2-CD1 3.27Å; H626-I667 WeakPolarHBondContact NE2-CD1 3.17Å; H626-I667 WeakPolarHBondContact NE2-CG1 3.47Å; H626-V713 WeakPolarHBondContact O-CA 3.33Å; H626-Q714 HydrophobicContact CB-CB 4.26Å; H626-Q714 PolarHBondContact N-O 2.77Å; H626-Q714 PolarHBondContact O-N 3.29Å
627	I	92.1	Very high	93.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.8	-178.2	-54	179.3	0	0	0	108.3	L625 W629 M639 I651 S665 M666 F668 L684 I710 V713	L625-I627 HydrophobicContact CB-CD1 4.29Å; L625-I627 HydrophobicContact CB-CG1 4.17Å; I627-W629 HydrophobicContact CB-CE3 4.3Å; I627-W629 HydrophobicContact CB-CZ3 4.34Å; I627-W629 HydrophobicContact CG2-CE3 3.91Å; I627-W629 HydrophobicContact CG2-CZ3 4.41Å; I627-M639 HydrophobicContact CD1-SD 3.75Å; I627-I651 HydrophobicContact CD1-CD1 4.41Å; I627-S665 CarbonylContact O-C 3.51Å; I627-S665 WeakPolarHBondContact O-CA 3.44Å; I627-S665 PolarHBondContact O-OG 2.93Å; I627-M666 PolarHBondContact N-O 2.91Å; I627-M666 PolarHBondContact O-N 3.34Å; I627-F668 HydrophobicContact CB-CE2 4.39Å; I627-F668 HydrophobicContact CD1-CD2 3.84Å; I627-F668 HydrophobicContact CD1-CE2 3.94Å; I627-F668 HydrophobicContact CG1-CD2 4.27Å; I627-F668 HydrophobicContact CG1-CE2 4.39Å; I627-L684 HydrophobicContact CD1-CD1 4.25Å; I627-L684 HydrophobicContact CD1-CD2 3.7Å; I627-L684 HydrophobicContact CG1-CD2 4.38Å; I627-I710 HydrophobicContact CG2-CD1 4.07Å; I627-I710 HydrophobicContact CG2-CG2 4.06Å; I627-V713 HydrophobicContact CG1-CG1 4.29Å; I627-V713 HydrophobicContact CG2-CG2 4.41Å
628	K	90.4	Very high	93.5	Very high	30 Å²	30	14.3 Å²	14.3	13%	0.13	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.4	168.7	-63.8	-176.7	174.6	-168.2	0	109.5	V538 D540 G664 S665 I710 T711 S712	V538-K628 PolarHBondContact O-NZ 2.84Å; D540-K628 WeakPolarHBondContact OD1-CE 3.47Å; D540-K628 IonicContact OD1-NZ 3.23Å; D540-K628 PolarHBondContact OD1-NZ 3.43Å; D540-K628 IonicContact OD2-NZ 3.42Å; K628-G664 WeakPolarHBondContact CA-O 3.36Å; K628-S665 WeakPolarHBondContact CG-OG 3.22Å; K628-I710 WeakPolarHBondContact O-CG2 3.41Å; K628-T711 VanDerWaalsContact CB-OG1 3.3Å; K628-T711 WeakPolarHBondContact CB-OG1 3.41Å; K628-T711 PolarHBondContact O-N 3.07Å; K628-T711 PolarHBondContact O-OG1 3.23Å; K628-S712 PolarHBondContact N-O 3.09Å; K628-S712 PolarHBondContact O-N 3.1Å
629	W	90.2	Very high	93.6	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.015	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	165.2	-177.6	65.3	87.8	0	0	0	112.3	M320 I627 E663 G664 M666 F668 F709 I710	M320-W629 HydrophobicContact CE-CH2 4.44Å; M320-W629 HydrophobicContact SD-CH2 3.83Å; M320-W629 HydrophobicContact SD-CZ2 3.87Å; I627-W629 HydrophobicContact CB-CE3 4.3Å; I627-W629 HydrophobicContact CB-CZ3 4.34Å; I627-W629 HydrophobicContact CG2-CE3 3.91Å; I627-W629 HydrophobicContact CG2-CZ3 4.41Å; W629-E663 CarbonylContact O-C 3.55Å; W629-E663 VanDerWaalsContact O-CA 3.24Å; W629-E663 WeakPolarHBondContact O-CA 3.23Å; W629-G664 PolarHBondContact N-O 3.45Å; W629-G664 PolarHBondContact O-N 2.79Å; W629-M666 HydrophobicContact CH2-CB 3.62Å; W629-M666 HydrophobicContact CZ3-CB 3.8Å; W629-F668 HydrophobicContact CH2-CZ 4.46Å; W629-F668 HydrophobicContact CZ3-CE2 4.35Å; W629-F709 WeakPolarHBondContact CA-O 3.2Å; W629-I710 HydrophobicContact CB-CD1 3.66Å
630	K	87.7	Confident	93.6	Very high	35 Å²	35	12 Å²	12	15%	0.152	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.3	160.1	-171.3	167.2	-161.9	147.1	0	108.6	G662 E663 G708 F709	K630-G662 CarbonylContact C-O 3.13Å; K630-G662 WeakPolarHBondContact CA-O 3.27Å; K630-E663 HydrophobicContact CB-CG 3.98Å; K630-E663 HydrophobicContact CD-CG 3.8Å; K630-E663 HydrophobicContact CG-CG 3.87Å; K630-E663 IonicContact NZ-OE1 3.09Å; K630-E663 PolarHBondContact NZ-OE1 3.05Å; K630-G708 CarbonylContact O-C 3.57Å; K630-G708 WeakPolarHBondContact O-CA 3.28Å; K630-F709 HydrophobicContact CB-CE1 4.13Å; K630-F709 HydrophobicContact CB-CE2 4.1Å; K630-F709 HydrophobicContact CB-CZ 3.86Å; K630-F709 HydrophobicContact CD-CE1 4.3Å; K630-F709 HydrophobicContact CD-CZ 3.93Å; K630-F709 HydrophobicContact CG-CE1 4.49Å; K630-F709 HydrophobicContact CG-CZ 4.37Å; K630-F709 PolarHBondContact N-O 2.89Å; K630-F709 PolarHBondContact O-N 3.39Å
631	H	89.9	Confident	93.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.5	-175.7	-154.4	-105	0	0	0	112.5	C633 L637 G662 D688 N707	H631-C633 VanDerWaalsContact C-N 3.3Å; H631-C633 PolarHBondContact CE1-O 3.03Å; H631-C633 PolarHBondContact ND1-N 2.85Å; H631-C633 PolarHBondContact ND1-O 2.98Å; H631-L637 HydrophobicContact CB-CD1 4.39Å; H631-G662 PolarHBondContact N-O 3.09Å; H631-G662 PolarHBondContact O-N 3.4Å; H631-D688 IonicContact CE1-OD1 2.71Å; H631-D688 IonicContact CE1-OD2 3.95Å; H631-D688 IonicContact NE2-OD2 2.62Å; H631-D688 PolarHBondContact NE2-OD2 3.03Å; H631-N707 WeakPolarHBondContact NE2-CB 3.34Å
632	S	87.7	Confident	93.7	Very high	5 Å²	5	12.4 Å²	12.4	4%	0.035	6%	0.058	C	C	.	.	S	Bend	trans	-71.2	-24.3	174	60.8	0	0	0	0	113	C560 T661 N707	C560-S632 WeakPolarHBondContact CB-O 3.38Å; S632-T661 PolarHBondContact O-OG1 3.5Å; S632-N707 WeakPolarHBondContact CB-O 3.35Å; S632-N707 PolarHBondContact N-O 3.09Å; S632-N707 PolarHBondContact OG-O 3.21Å
633	C	87.6	Confident	93.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.			trans	-158.8	92.4	177.8	-150.7	0	0	0	0	110.7	H631 G635 S636 T659 Y660 C692	H631-C633 VanDerWaalsContact C-N 3.3Å; H631-C633 PolarHBondContact CE1-O 3.03Å; H631-C633 PolarHBondContact ND1-N 2.85Å; H631-C633 PolarHBondContact ND1-O 2.98Å; C633-G635 VanDerWaalsContact C-N 3.27Å; C633-G635 PolarHBondContact O-N 3.16Å; C633-S636 WeakPolarHBondContact O-CB 3.41Å; C633-S636 PolarHBondContact O-N 3.07Å; C633-S636 VanDerWaalsContact O-N 3.11Å; C633-T659 VanDerWaalsContact SG-CA 3.51Å; C633-Y660 WeakPolarHBondContact CA-O 3.45Å; C633-C692 HydrophobicContact CB-CB 3.44Å; C633-C692 VanDerWaalsContact CB-CB 3.44Å; C633-C692 WeakPolarHBondContact CB-SG 3.43Å; C633-C692 WeakPolarHBondContact SG-CB 3.4Å; C633-C692 CovalentContact SG-SG 2.04Å; C633-C692 PolarHBondContact SG-SG 3.17Å
634	R	90.5	Very high	93.8	Very high	6 Å²	6	14.4 Å²	14.4	2%	0.023	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-64.5	-29.3	-168.6	82.7	179.3	160.8	-141.6	-6.7	113.7	S636 L637 D658 Y660	R634-S636 PolarHBondContact O-N 3.32Å; R634-L637 WeakPolarHBondContact O-CB 3.45Å; R634-L637 WeakPolarHBondContact O-CG 3.25Å; R634-L637 PolarHBondContact O-N 2.95Å; R634-L637 VanDerWaalsContact O-N 3.08Å; R634-D658 WeakPolarHBondContact CD-OD2 3.23Å; R634-D658 WeakPolarHBondContact CG-OD2 3.43Å; R634-D658 IonicContact CZ-OD1 2.74Å; R634-D658 IonicContact CZ-OD2 3.97Å; R634-D658 IonicContact NE-OD1 3.46Å; R634-D658 PolarHBondContact NE-OD1 3Å; R634-D658 IonicContact NE-OD2 3.56Å; R634-D658 PolarHBondContact NE-OD2 3.08Å; R634-D658 IonicContact NH2-OD1 3.32Å; R634-D658 PolarHBondContact NH2-OD1 2.87Å; R634-D658 IonicContact NH2-OD2 3.94Å; R634-Y660 HydrophobicContact CG-CD1 4.37Å; R634-Y660 PolarHBondContact N-O 3.04Å
635	G	91.8	Very high	93.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-63.9	-15.9	176.9	0	0	0	0	0	114.3	C633 L637 Q654 R655 D658	C633-G635 VanDerWaalsContact C-N 3.27Å; C633-G635 PolarHBondContact O-N 3.16Å; G635-L637 PolarHBondContact O-N 2.83Å; G635-Q654 WeakPolarHBondContact O-CG 3.42Å; G635-R655 CarbonylContact C-O 3.57Å; G635-R655 VanDerWaalsContact CA-O 3.27Å; G635-R655 WeakPolarHBondContact CA-O 3.47Å; G635-R655 PolarHBondContact O-N 3.36Å; G635-D658 WeakPolarHBondContact CA-O 3.13Å; G635-D658 PolarHBondContact N-O 3.08Å
636	S	93.3	Very high	93.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-70.1	-17.2	173	-163.9	0	0	0	0	113.5	C633 R634 D688 H689 G690 Q691	C633-S636 WeakPolarHBondContact O-CB 3.41Å; C633-S636 PolarHBondContact O-N 3.07Å; C633-S636 VanDerWaalsContact O-N 3.11Å; R634-S636 PolarHBondContact O-N 3.32Å; S636-D688 VanDerWaalsContact CB-OD1 3.32Å; S636-D688 WeakPolarHBondContact CB-OD1 3.45Å; S636-D688 PolarHBondContact OG-OD1 3.21Å; S636-H689 PolarHBondContact O-CD2 3.31Å; S636-H689 VanDerWaalsContact O-CD2 3.31Å; S636-H689 PolarHBondContact O-N 2.72Å; S636-H689 PolarHBondContact OG-N 2.93Å; S636-G690 PolarHBondContact OG-N 2.95Å; S636-Q691 PolarHBondContact OG-N 3.22Å
637	L	95.7	Very high	94.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.6	-174.5	-56.6	-179.6	0	0	0	111	L582 H631 R634 G635 M639 I686 D688	L582-L637 HydrophobicContact CD1-CD1 4.22Å; L582-L637 HydrophobicContact CD1-CD2 3.97Å; H631-L637 HydrophobicContact CB-CD1 4.39Å; R634-L637 WeakPolarHBondContact O-CB 3.45Å; R634-L637 WeakPolarHBondContact O-CG 3.25Å; R634-L637 PolarHBondContact O-N 2.95Å; R634-L637 VanDerWaalsContact O-N 3.08Å; G635-L637 PolarHBondContact O-N 2.83Å; L637-M639 HydrophobicContact CB-CE 4.11Å; L637-M639 HydrophobicContact CD1-CE 3.94Å; L637-I686 HydrophobicContact CD2-CG2 4.24Å; L637-D688 HydrophobicContact CD2-CB 4Å
638	E	97.7	Very high	94.4	Very high	51 Å²	51	19.3 Å²	19.3	24%	0.238	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.8	166.7	-178.7	176.6	120	0	0	108.2	H640 L650 L652 I686 H687 H689	E638-H640 IonicContact OE1-CD2 3.72Å; E638-H640 IonicContact OE1-NE2 3Å; E638-H640 PolarHBondContact OE1-NE2 3.48Å; E638-L650 HydrophobicContact CG-CD1 4Å; E638-L652 WeakPolarHBondContact CA-O 3.14Å; E638-I686 CarbonylContact O-C 3.23Å; E638-I686 WeakPolarHBondContact O-CA 2.92Å; E638-H687 HydrophobicContact CB-CB 4.42Å; E638-H687 PolarHBondContact N-O 3.22Å; E638-H687 PolarHBondContact O-N 2.9Å; E638-H689 IonicContact OE2-CD2 3.68Å; E638-H689 IonicContact OE2-CE1 3.89Å; E638-H689 IonicContact OE2-NE2 3.04Å; E638-H689 PolarHBondContact OE2-NE2 2.9Å
639	M	98.1	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.1	-172.6	-56.3	-174.9	-172.5	0	0	111	I627 L637 I651 L652 F668 L684 K685 I686	I627-M639 HydrophobicContact CD1-SD 3.75Å; L637-M639 HydrophobicContact CB-CE 4.11Å; L637-M639 HydrophobicContact CD1-CE 3.94Å; M639-I651 HydrophobicContact CB-CD1 3.72Å; M639-I651 HydrophobicContact CB-CG1 3.47Å; M639-I651 VanDerWaalsContact CB-CG1 3.47Å; M639-I651 VanDerWaalsContact O-CG1 3.29Å; M639-I651 WeakPolarHBondContact O-CG1 3.35Å; M639-I651 PolarHBondContact O-N 3.46Å; M639-L652 HydrophobicContact CB-CB 4.2Å; M639-L652 HydrophobicContact CE-CD2 4.28Å; M639-L652 HydrophobicContact CG-CB 4.4Å; M639-L652 PolarHBondContact N-O 2.83Å; M639-L652 PolarHBondContact O-N 3.16Å; M639-L652 HydrophobicContact SD-CD2 4.42Å; M639-F668 HydrophobicContact SD-CE2 3.96Å; M639-F668 HydrophobicContact SD-CZ 4.33Å; M639-L684 HydrophobicContact CB-CD1 4.47Å; M639-K685 WeakPolarHBondContact CA-O 3.33Å; M639-I686 HydrophobicContact CE-CG2 4.45Å; M639-I686 HydrophobicContact CG-CG1 4.16Å; M639-I686 HydrophobicContact CG-CG2 4.17Å
640	H	98.4	Very high	95.2	Very high	35 Å²	35	19.3 Å²	19.3	16%	0.162	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.3	-179.8	-75.9	-109	0	0	0	110.4	E638 D648 A649 L650 L684 K685	E638-H640 IonicContact OE1-CD2 3.72Å; E638-H640 IonicContact OE1-NE2 3Å; E638-H640 PolarHBondContact OE1-NE2 3.48Å; H640-D648 WeakPolarHBondContact CB-OD1 3.37Å; H640-D648 IonicContact CE1-OD1 3.02Å; H640-D648 IonicContact CG-OD1 3.75Å; H640-D648 IonicContact ND1-OD1 2.7Å; H640-D648 PolarHBondContact ND1-OD1 3.24Å; H640-D648 IonicContact ND1-OD2 3.69Å; H640-A649 CarbonylContact C-O 3.5Å; H640-A649 VanDerWaalsContact CA-O 3.27Å; H640-A649 WeakPolarHBondContact CA-O 3.48Å; H640-L650 WeakPolarHBondContact NE2-CD1 3.37Å; H640-L684 WeakPolarHBondContact O-CA 3.42Å; H640-K685 HydrophobicContact CB-CB 4.21Å; H640-K685 PolarHBondContact N-O 2.82Å; H640-K685 PolarHBondContact O-N 2.91Å
641	L	98.3	Very high	95.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.1	172.3	179.3	64.2	0	0	0	109.5	V623 L625 A649 I651 H673 W682 L715	V623-L641 HydrophobicContact CB-CD2 3.79Å; V623-L641 HydrophobicContact CG1-CD2 3.52Å; V623-L641 HydrophobicContact CG2-CD2 4.34Å; L625-L641 HydrophobicContact CD1-CB 4.17Å; L625-L641 HydrophobicContact CD1-CD1 4.13Å; L625-L641 HydrophobicContact CD1-CD2 3.95Å; L625-L641 HydrophobicContact CD1-CG 4.29Å; L625-L641 HydrophobicContact CG-CD2 4.41Å; L641-A649 PolarHBondContact N-O 3.12Å; L641-A649 WeakPolarHBondContact O-CB 3.28Å; L641-A649 PolarHBondContact O-N 3.41Å; L641-I651 HydrophobicContact CB-CG2 3.76Å; L641-H673 PolarHBondContact O-CE1 2.74Å; L641-H673 PolarHBondContact O-NE2 3.36Å; L641-W682 HydrophobicContact CD1-CE3 3.92Å; L641-W682 HydrophobicContact CD2-CE3 4.27Å; L641-W682 HydrophobicContact CD2-CZ3 4.12Å; L641-W682 HydrophobicContact CG-CE3 4.06Å; L641-W682 HydrophobicContact CG-CZ3 4.2Å; L641-L715 HydrophobicContact CD1-CD1 4.42Å
642	I	98.4	Very high	96	Very high	16 Å²	16	17.9 Å²	17.9	8%	0.082	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.3	-177.3	-51.8	159.1	0	0	0	109.2	T647 D648 W682 K683 K685	I642-T647 VanDerWaalsContact CA-O 3.3Å; I642-T647 WeakPolarHBondContact CA-O 3.41Å; I642-D648 HydrophobicContact CG1-CB 4.09Å; I642-W682 WeakPolarHBondContact O-CA 3.3Å; I642-K683 HydrophobicContact CB-CB 4.22Å; I642-K683 HydrophobicContact CD1-CB 4.46Å; I642-K683 VanDerWaalsContact CG2-CE 3.48Å; I642-K683 PolarHBondContact N-O 2.92Å; I642-K683 PolarHBondContact O-N 2.95Å; I642-K685 HydrophobicContact CD1-CB 4.44Å
643	S	98.2	Very high	96.4	Very high	1 Å²	1	18 Å²	18	1%	0.007	10%	0.099	C	C	.	.			trans	-81.2	169.7	179	69	0	0	0	0	113.3	S645 N646 T647 H673 E676	S643-S645 PolarHBondContact O-N 2.79Å; S643-S645 PolarHBondContact OG-N 2.85Å; S643-N646 WeakPolarHBondContact O-CA 3.44Å; S643-N646 PolarHBondContact O-N 2.96Å; S643-T647 PolarHBondContact N-O 3.23Å; S643-T647 VanDerWaalsContact N-O 3.14Å; S643-T647 WeakPolarHBondContact OG-CB 3.2Å; S643-T647 PolarHBondContact OG-N 2.96Å; S643-H673 VanDerWaalsContact CB-CD2 3.44Å; S643-H673 WeakPolarHBondContact CB-CD2 3.24Å; S643-E676 WeakPolarHBondContact CB-OE2 3.49Å; S643-E676 PolarHBondContact OG-OE2 3.5Å
644	P	98.2	Very high	96.7	Very high	49 Å²	49	20 Å²	20	32%	0.318	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.9	172.1	-26.9	36.4	0	0	0	113.4	N646 W682	P644-N646 PolarHBondContact O-N 2.92Å; P644-W682 HydrophobicContact CG-CG 4.39Å
645	S	97.8	Very high	96.8	Very high	14 Å²	14	19.8 Å²	19.8	10%	0.098	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	9.6	174.3	-52.4	0	0	0	0	113.5	S643 T647 E676 H749 S750 G751	S643-S645 PolarHBondContact O-N 2.79Å; S643-S645 PolarHBondContact OG-N 2.85Å; S645-T647 PolarHBondContact O-N 2.93Å; S645-E676 WeakPolarHBondContact CB-OE1 3.46Å; S645-H749 WeakPolarHBondContact CB-O 3.31Å; S645-S750 CarbonylContact O-C 3.07Å; S645-S750 WeakPolarHBondContact O-CA 3.45Å; S645-G751 PolarHBondContact O-N 2.81Å
646	N	97.4	Very high	96.7	Very high	88 Å²	88	26.3 Å²	26.3	47%	0.471	14%	0.135	S	C	.	.			trans	64.2	20.5	-179.3	-161.3	58	0	0	0	115.3	S643 P644 D648	S643-N646 WeakPolarHBondContact O-CA 3.44Å; S643-N646 PolarHBondContact O-N 2.96Å; P644-N646 PolarHBondContact O-N 2.92Å; N646-D648 PolarHBondContact O-N 3.24Å
647	T	98.3	Very high	96.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	15%	0.152	C	C	.	.			trans	-79.6	115	175.1	-61.5	0	0	0	0	110.1	L491 N493 G494 I642 S643 S645 V672 H673 E676	L491-T647 HydrophobicContact CD1-CG2 3.93Å; N493-T647 WeakPolarHBondContact CA-OG1 3.33Å; N493-T647 HydrophobicContact CB-CG2 3.7Å; G494-T647 PolarHBondContact N-OG1 3.37Å; I642-T647 VanDerWaalsContact CA-O 3.3Å; I642-T647 WeakPolarHBondContact CA-O 3.41Å; S643-T647 PolarHBondContact N-O 3.23Å; S643-T647 VanDerWaalsContact N-O 3.14Å; S643-T647 WeakPolarHBondContact OG-CB 3.2Å; S643-T647 PolarHBondContact OG-N 2.96Å; S645-T647 PolarHBondContact O-N 2.93Å; T647-V672 HydrophobicContact CG2-CG1 3.66Å; T647-H673 PolarHBondContact O-NE2 3.04Å; T647-H673 VanDerWaalsContact O-NE2 3.15Å; T647-E676 VanDerWaalsContact CB-OE1 3.26Å; T647-E676 WeakPolarHBondContact CB-OE1 3.17Å; T647-E676 PolarHBondContact OG1-OE1 2.86Å
648	D	97.7	Very high	96	Very high	67 Å²	67	29.4 Å²	29.4	36%	0.358	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.2	-176.6	-167.9	-21.3	0	0	0	111.6	L491 H640 I642 N646	L491-D648 VanDerWaalsContact CD2-O 3.28Å; L491-D648 WeakPolarHBondContact CD2-O 3.43Å; H640-D648 WeakPolarHBondContact CB-OD1 3.37Å; H640-D648 IonicContact CE1-OD1 3.02Å; H640-D648 IonicContact CG-OD1 3.75Å; H640-D648 IonicContact ND1-OD1 2.7Å; H640-D648 PolarHBondContact ND1-OD1 3.24Å; H640-D648 IonicContact ND1-OD2 3.69Å; I642-D648 HydrophobicContact CG1-CB 4.09Å; N646-D648 PolarHBondContact O-N 3.24Å
649	A	98.2	Very high	95.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.3	179.6	0	0	0	0	0	111.8	H640 L641 I651 V672 H673	H640-A649 CarbonylContact C-O 3.5Å; H640-A649 VanDerWaalsContact CA-O 3.27Å; H640-A649 WeakPolarHBondContact CA-O 3.48Å; L641-A649 PolarHBondContact N-O 3.12Å; L641-A649 WeakPolarHBondContact O-CB 3.28Å; L641-A649 PolarHBondContact O-N 3.41Å; A649-I651 PolarHBondContact O-N 3.17Å; A649-V672 HydrophobicContact CB-CB 3.7Å; A649-V672 HydrophobicContact CB-CG1 4.04Å; A649-V672 HydrophobicContact CB-CG2 3.57Å; A649-H673 VanDerWaalsContact CB-CE1 3.42Å; A649-H673 WeakPolarHBondContact CB-CE1 3.42Å
650	L	98	Very high	94.7	Very high	33 Å²	33	27.9 Å²	27.9	17%	0.173	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	106.5	168.6	177.5	66.5	0	0	0	110.1	P389 C390 S391 P501 E638 H640 L652	P389-L650 HydrophobicContact CB-CD2 4.04Å; P389-L650 HydrophobicContact CG-CD2 4.35Å; C390-L650 CarbonylContact C-O 3.53Å; S391-L650 WeakPolarHBondContact CB-O 3.38Å; S391-L650 PolarHBondContact N-O 3.4Å; P501-L650 HydrophobicContact CB-CD2 4.43Å; E638-L650 HydrophobicContact CG-CD1 4Å; H640-L650 WeakPolarHBondContact NE2-CD1 3.37Å; L650-L652 WeakPolarHBondContact CD1-O 3.48Å
651	I	97.1	Very high	93.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-31.4	-179.3	67.9	175.4	0	0	0	112.6	S391 L625 I627 M639 L641 A649 F668 L684	S391-I651 WeakPolarHBondContact OG-CG2 3.36Å; L625-I651 HydrophobicContact CD1-CD1 3.42Å; L625-I651 VanDerWaalsContact CD1-CD1 3.42Å; I627-I651 HydrophobicContact CD1-CD1 4.41Å; M639-I651 HydrophobicContact CB-CD1 3.72Å; M639-I651 HydrophobicContact CB-CG1 3.47Å; M639-I651 VanDerWaalsContact CB-CG1 3.47Å; M639-I651 VanDerWaalsContact O-CG1 3.29Å; M639-I651 WeakPolarHBondContact O-CG1 3.35Å; M639-I651 PolarHBondContact O-N 3.46Å; L641-I651 HydrophobicContact CB-CG2 3.76Å; A649-I651 PolarHBondContact O-N 3.17Å; I651-F668 HydrophobicContact CB-CB 4.22Å; I651-F668 HydrophobicContact CD1-CB 4.28Å; I651-F668 HydrophobicContact CD1-CD2 4.29Å; I651-F668 HydrophobicContact CD1-CG 4.34Å; I651-L684 HydrophobicContact CD1-CD1 3.78Å
652	L	97.4	Very high	93.1	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	121	174.9	177.8	67.2	0	0	0	109.3	M320 A362 E638 M639 L650 F668	M320-L652 HydrophobicContact CE-CD1 4.13Å; M320-L652 HydrophobicContact CE-CD2 4.14Å; A362-L652 HydrophobicContact CB-CD1 4.32Å; E638-L652 WeakPolarHBondContact CA-O 3.14Å; M639-L652 HydrophobicContact CB-CB 4.2Å; M639-L652 HydrophobicContact CE-CD2 4.28Å; M639-L652 HydrophobicContact CG-CB 4.4Å; M639-L652 PolarHBondContact N-O 2.83Å; M639-L652 PolarHBondContact O-N 3.16Å; M639-L652 HydrophobicContact SD-CD2 4.42Å; L650-L652 WeakPolarHBondContact CD1-O 3.48Å; L652-F668 HydrophobicContact CB-CD1 4.36Å; L652-F668 HydrophobicContact CB-CE1 3.82Å; L652-F668 HydrophobicContact CB-CZ 4.21Å; L652-F668 HydrophobicContact CD1-CE1 4.08Å; L652-F668 HydrophobicContact CD2-CE1 4.06Å; L652-F668 HydrophobicContact CD2-CZ 3.85Å; L652-F668 HydrophobicContact CG-CE1 4.2Å; L652-F668 HydrophobicContact CG-CZ 4.46Å
653	G	95.4	Very high	92.4	Very high	8 Å²	8	29.4 Å²	29.4	8%	0.082	16%	0.157	C	C	.	.			trans	-80.1	158.2	171.5	0	0	0	0	0	112.9	S359 R655	S359-G653 PolarHBondContact OG-N 3.29Å; G653-R655 PolarHBondContact O-N 2.76Å
654	Q	95.1	Very high	91.8	Very high	41 Å²	41	29.6 Å²	29.6	19%	0.192	16%	0.159	C	C	.	.			trans	-56.9	133.1	169.6	177.4	-175.2	69	0	0	111.1	G635 K656 H689 Q691	G635-Q654 WeakPolarHBondContact O-CG 3.42Å; Q654-K656 HydrophobicContact CG-CG 4.21Å; Q654-H689 PolarHBondContact NE2-CD2 2.94Å; Q654-H689 VanDerWaalsContact NE2-CD2 3.32Å; Q654-H689 PolarHBondContact NE2-ND1 3.49Å; Q654-Q691 VanDerWaalsContact CD-NE2 3.28Å; Q654-Q691 VanDerWaalsContact NE2-CD 3.31Å
655	R	92.8	Very high	91.2	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.148	C	C	.	.			trans	-120.6	92.5	178.4	-67.8	178.8	-64.1	125.5	16.8	110.2	T319 D358 G635 G653 L657 D658	T319-R655 PolarHBondContact O-NH1 3.39Å; D358-R655 VanDerWaalsContact OD1-CD 3.23Å; D358-R655 WeakPolarHBondContact OD1-CD 3.47Å; G635-R655 CarbonylContact C-O 3.57Å; G635-R655 VanDerWaalsContact CA-O 3.27Å; G635-R655 WeakPolarHBondContact CA-O 3.47Å; G635-R655 PolarHBondContact O-N 3.36Å; G653-R655 PolarHBondContact O-N 2.76Å; R655-L657 PolarHBondContact O-N 2.74Å; R655-L657 VanDerWaalsContact O-N 3.16Å; R655-D658 HydrophobicContact CB-CB 4.07Å; R655-D658 IonicContact CZ-OD2 2.94Å; R655-D658 IonicContact NH1-OD2 3.51Å; R655-D658 PolarHBondContact NH1-OD2 2.83Å; R655-D658 IonicContact NH2-OD2 3.19Å; R655-D658 PolarHBondContact NH2-OD2 2.92Å; R655-D658 PolarHBondContact O-N 2.03Å
656	K	89.3	Confident	90.9	Very high	138 Å²	138	27.1 Å²	27.1	60%	0.6	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.6	-166.6	-52.6	-170.1	175.4	166.7	0	114.8	Q654	Q654-K656 HydrophobicContact CG-CG 4.21Å
657	L	86	Confident	90.7	Very high	67 Å²	67	24.3 Å²	24.3	35%	0.351	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-21.3	178.5	-57.7	-178.3	0	0	0	112.1	I318 F356 R655 T659	I318-L657 HydrophobicContact CD1-CB 4.21Å; I318-L657 HydrophobicContact CG1-CB 3.63Å; F356-L657 HydrophobicContact CB-CD1 3.97Å; F356-L657 HydrophobicContact CD1-CD1 4.29Å; R655-L657 PolarHBondContact O-N 2.74Å; R655-L657 VanDerWaalsContact O-N 3.16Å; L657-T659 PolarHBondContact O-N 2.99Å
658	D	87.7	Confident	90.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.			trans	-77.2	85.4	179.9	-173.9	-0.3	0	0	0	111.7	G317 R634 G635 R655 Y660	G317-D658 WeakPolarHBondContact O-CB 3.31Å; G317-D658 PolarHBondContact O-N 2.9Å; G317-D658 VanDerWaalsContact O-N 3.14Å; R634-D658 WeakPolarHBondContact CD-OD2 3.23Å; R634-D658 WeakPolarHBondContact CG-OD2 3.43Å; R634-D658 IonicContact CZ-OD1 2.74Å; R634-D658 IonicContact CZ-OD2 3.97Å; R634-D658 IonicContact NE-OD1 3.46Å; R634-D658 PolarHBondContact NE-OD1 3Å; R634-D658 IonicContact NE-OD2 3.56Å; R634-D658 PolarHBondContact NE-OD2 3.08Å; R634-D658 IonicContact NH2-OD1 3.32Å; R634-D658 PolarHBondContact NH2-OD1 2.87Å; R634-D658 IonicContact NH2-OD2 3.94Å; G635-D658 WeakPolarHBondContact CA-O 3.13Å; G635-D658 PolarHBondContact N-O 3.08Å; R655-D658 HydrophobicContact CB-CB 4.07Å; R655-D658 IonicContact CZ-OD2 2.94Å; R655-D658 IonicContact NH1-OD2 3.51Å; R655-D658 PolarHBondContact NH1-OD2 2.83Å; R655-D658 IonicContact NH2-OD2 3.19Å; R655-D658 PolarHBondContact NH2-OD2 2.92Å; R655-D658 PolarHBondContact O-N 2.03Å; D658-Y660 VanDerWaalsContact C-N 3.26Å; D658-Y660 PolarHBondContact O-N 2.81Å; D658-Y660 WeakPolarHBondContact OD1-CB 3.33Å; D658-Y660 PolarHBondContact OD1-N 2.71Å; D658-Y660 VanDerWaalsContact OD1-N 3.07Å
659	T	84.6	Confident	90.5	Very high	11 Å²	11	21.3 Å²	21.3	7%	0.067	11%	0.112	C	C	.	.			trans	-89.5	21.6	177.7	56.6	0	0	0	0	113.5	L557 F558 C633 L657 T661	L557-T659 CarbonylContact C-O 3.58Å; L557-T659 PolarHBondContact N-OG1 3.34Å; L557-T659 VanDerWaalsContact N-OG1 3.14Å; L557-T659 WeakPolarHBondContact O-CB 3.13Å; L557-T659 PolarHBondContact O-OG1 3.49Å; F558-T659 CarbonylContact C-O 3.53Å; C633-T659 VanDerWaalsContact SG-CA 3.51Å; L657-T659 PolarHBondContact O-N 2.99Å; T659-T661 PolarHBondContact O-N 3.07Å
660	Y	84	Confident	90.5	Very high	8 Å²	8	21.3 Å²	21.3	3%	0.031	11%	0.112	C	C	.	.			trans	-64	124.2	-178.7	177.5	-89.3	0	0	0	112.7	Q546 L557 C633 R634 D658 E663	Q546-Y660 HydrophobicContact CG-CE2 4.49Å; L557-Y660 HydrophobicContact CD2-CD2 4.34Å; C633-Y660 WeakPolarHBondContact CA-O 3.45Å; R634-Y660 HydrophobicContact CG-CD1 4.37Å; R634-Y660 PolarHBondContact N-O 3.04Å; D658-Y660 VanDerWaalsContact C-N 3.26Å; D658-Y660 PolarHBondContact O-N 2.81Å; D658-Y660 WeakPolarHBondContact OD1-CB 3.33Å; D658-Y660 PolarHBondContact OD1-N 2.71Å; D658-Y660 VanDerWaalsContact OD1-N 3.07Å; Y660-E663 WeakPolarHBondContact CE1-O 3.45Å; Y660-E663 PolarHBondContact OH-O 2.93Å
661	T	82.4	Confident	90.5	Very high	25 Å²	25	19.8 Å²	19.8	15%	0.153	10%	0.104	C	C	.	.			trans	-95.4	132.9	168.4	-66.4	0	0	0	0	110.4	F558 C560 C564 S632 T659	F558-T661 PolarHBondContact O-OG1 3.47Å; C560-T661 HydrophobicContact CB-CG2 4.12Å; C560-T661 WeakPolarHBondContact CB-OG1 3.3Å; C560-T661 PolarHBondContact N-OG1 3.19Å; C564-T661 WeakPolarHBondContact SG-CG2 3.32Å; S632-T661 PolarHBondContact O-OG1 3.5Å; T659-T661 PolarHBondContact O-N 3.07Å
662	G	81.7	Confident	90.6	Very high	14 Å²	14	19.8 Å²	19.8	14%	0.144	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.6	-160.3	167.3	0	0	0	0	0	113.8	K630 H631	K630-G662 CarbonylContact C-O 3.13Å; K630-G662 WeakPolarHBondContact CA-O 3.27Å; H631-G662 PolarHBondContact N-O 3.09Å; H631-G662 PolarHBondContact O-N 3.4Å
663	E	83.9	Confident	90.6	Very high	45 Å²	45	19.6 Å²	19.6	21%	0.21	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	145.7	173.3	-73.5	161.7	-160.3	0	0	110.3	W542 W629 K630 Y660	W542-E663 VanDerWaalsContact CB-O 3.3Å; W542-E663 WeakPolarHBondContact CB-O 3.37Å; W629-E663 CarbonylContact O-C 3.55Å; W629-E663 VanDerWaalsContact O-CA 3.24Å; W629-E663 WeakPolarHBondContact O-CA 3.23Å; K630-E663 HydrophobicContact CB-CG 3.98Å; K630-E663 HydrophobicContact CD-CG 3.8Å; K630-E663 HydrophobicContact CG-CG 3.87Å; K630-E663 IonicContact NZ-OE1 3.09Å; K630-E663 PolarHBondContact NZ-OE1 3.05Å; Y660-E663 WeakPolarHBondContact CE1-O 3.45Å; Y660-E663 PolarHBondContact OH-O 2.93Å
664	G	84.2	Confident	90.7	Very high	4 Å²	4	19.8 Å²	19.8	4%	0.041	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.3	177.2	0	0	0	0	0	111	K628 W629	K628-G664 WeakPolarHBondContact CA-O 3.36Å; W629-G664 PolarHBondContact N-O 3.45Å; W629-G664 PolarHBondContact O-N 2.79Å
665	S	87.2	Confident	90.8	Very high	12 Å²	12	18.8 Å²	18.8	8%	0.084	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.9	167.5	-165.5	0	0	0	0	108.3	W542 I627 K628	W542-S665 VanDerWaalsContact CE2-O 3.31Å; W542-S665 WeakPolarHBondContact CH2-O 3.5Å; W542-S665 WeakPolarHBondContact CZ2-O 3.22Å; I627-S665 CarbonylContact O-C 3.51Å; I627-S665 WeakPolarHBondContact O-CA 3.44Å; I627-S665 PolarHBondContact O-OG 2.93Å; K628-S665 WeakPolarHBondContact CG-OG 3.22Å
666	M	91	Very high	91.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	157.3	168.7	-169.8	57.3	174.1	0	0	110.4	M320 L322 G361 A362 H626 I627 W629 F668	M320-M666 HydrophobicContact CG-SD 4.16Å; M320-M666 HydrophobicContact SD-CB 4.39Å; M320-M666 HydrophobicContact SD-CG 4.46Å; L322-M666 HydrophobicContact CB-SD 4.45Å; L322-M666 HydrophobicContact CD2-SD 4.41Å; G361-M666 VanDerWaalsContact O-CE 3.3Å; G361-M666 WeakPolarHBondContact O-CE 3.45Å; A362-M666 WeakPolarHBondContact O-CE 3.4Å; H626-M666 WeakPolarHBondContact CA-O 3.35Å; I627-M666 PolarHBondContact N-O 2.91Å; I627-M666 PolarHBondContact O-N 3.34Å; W629-M666 HydrophobicContact CH2-CB 3.62Å; W629-M666 HydrophobicContact CZ3-CB 3.8Å; M666-F668 HydrophobicContact CB-CD2 4.42Å; M666-F668 HydrophobicContact CB-CE1 4.09Å; M666-F668 HydrophobicContact CB-CE2 3.72Å; M666-F668 HydrophobicContact CB-CZ 3.52Å; M666-F668 HydrophobicContact CG-CD1 4.05Å; M666-F668 HydrophobicContact CG-CD2 4.48Å; M666-F668 HydrophobicContact CG-CE1 3.54Å; M666-F668 HydrophobicContact CG-CE2 4.04Å; M666-F668 HydrophobicContact CG-CG 4.5Å; M666-F668 HydrophobicContact CG-CZ 3.53Å
667	I	92.1	Very high	91.4	Very high	28 Å²	28	16 Å²	16	14%	0.144	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.2	169.1	-56.6	178.5	0	0	0	106.1	S367 I624 L625 H626	S367-I667 PolarHBondContact OG-O 3.42Å; S367-I667 VanDerWaalsContact OG-O 3.1Å; I624-I667 HydrophobicContact CG2-CG2 3.63Å; L625-I667 CarbonylContact O-C 3.46Å; L625-I667 WeakPolarHBondContact O-CA 3.38Å; H626-I667 VanDerWaalsContact CE1-CD1 3.41Å; H626-I667 WeakPolarHBondContact CE1-CD1 3.28Å; H626-I667 VanDerWaalsContact NE2-CD1 3.27Å; H626-I667 WeakPolarHBondContact NE2-CD1 3.17Å; H626-I667 WeakPolarHBondContact NE2-CG1 3.47Å
668	F	96	Very high	92	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	146.9	171.8	-55.2	-76.1	0	0	0	109.4	G361 I624 L625 I627 W629 M639 I651 L652 M666	G361-F668 VanDerWaalsContact O-CD1 3.3Å; G361-F668 WeakPolarHBondContact O-CD1 3.44Å; G361-F668 WeakPolarHBondContact O-CE1 3.45Å; I624-F668 CarbonylContact C-O 3.54Å; I624-F668 WeakPolarHBondContact CA-O 3.45Å; L625-F668 HydrophobicContact CB-CB 4.39Å; L625-F668 PolarHBondContact N-O 2.71Å; L625-F668 PolarHBondContact O-N 3.22Å; I627-F668 HydrophobicContact CB-CE2 4.39Å; I627-F668 HydrophobicContact CD1-CD2 3.84Å; I627-F668 HydrophobicContact CD1-CE2 3.94Å; I627-F668 HydrophobicContact CG1-CD2 4.27Å; I627-F668 HydrophobicContact CG1-CE2 4.39Å; W629-F668 HydrophobicContact CH2-CZ 4.46Å; W629-F668 HydrophobicContact CZ3-CE2 4.35Å; M639-F668 HydrophobicContact SD-CE2 3.96Å; M639-F668 HydrophobicContact SD-CZ 4.33Å; I651-F668 HydrophobicContact CB-CB 4.22Å; I651-F668 HydrophobicContact CD1-CB 4.28Å; I651-F668 HydrophobicContact CD1-CD2 4.29Å; I651-F668 HydrophobicContact CD1-CG 4.34Å; L652-F668 HydrophobicContact CB-CD1 4.36Å; L652-F668 HydrophobicContact CB-CE1 3.82Å; L652-F668 HydrophobicContact CB-CZ 4.21Å; L652-F668 HydrophobicContact CD1-CE1 4.08Å; L652-F668 HydrophobicContact CD2-CE1 4.06Å; L652-F668 HydrophobicContact CD2-CZ 3.85Å; L652-F668 HydrophobicContact CG-CE1 4.2Å; L652-F668 HydrophobicContact CG-CZ 4.46Å; M666-F668 HydrophobicContact CB-CD2 4.42Å; M666-F668 HydrophobicContact CB-CE1 4.09Å; M666-F668 HydrophobicContact CB-CE2 3.72Å; M666-F668 HydrophobicContact CB-CZ 3.52Å; M666-F668 HydrophobicContact CG-CD1 4.05Å; M666-F668 HydrophobicContact CG-CD2 4.48Å; M666-F668 HydrophobicContact CG-CE1 3.54Å; M666-F668 HydrophobicContact CG-CE2 4.04Å; M666-F668 HydrophobicContact CG-CG 4.5Å; M666-F668 HydrophobicContact CG-CZ 3.53Å
669	T	96.9	Very high	92.4	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.025	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.5	178.7	-69.9	0	0	0	0	109.9	S367 S391 A392 Q622 V623 V671	S367-T669 WeakPolarHBondContact O-CB 3.38Å; S367-T669 PolarHBondContact O-OG1 3.23Å; S391-T669 CarbonylContact C-O 3.59Å; S391-T669 PolarHBondContact OG-O 2.74Å; A392-T669 PolarHBondContact N-O 3.37Å; Q622-T669 HydrophobicContact CG-CG2 3.46Å; Q622-T669 VanDerWaalsContact CG-CG2 3.46Å; V623-T669 CarbonylContact O-C 3.54Å; V623-T669 WeakPolarHBondContact O-CA 3.44Å; T669-V671 HydrophobicContact CG2-CG1 4.42Å
670	S	98.2	Very high	93	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.014	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.1	173.8	179.6	0	0	0	0	111.3	S391 Q622 V623 V672 H673	S391-S670 WeakPolarHBondContact O-CA 3.25Å; Q622-S670 WeakPolarHBondContact CA-O 3.49Å; V623-S670 PolarHBondContact N-O 2.94Å; V623-S670 PolarHBondContact O-N 3.48Å; S670-V672 PolarHBondContact OG-N 2.67Å; S670-H673 PolarHBondContact OG-CE1 2.77Å; S670-H673 PolarHBondContact OG-ND1 3.19Å
671	V	98	Very high	93.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	12%	0.117	C	C	.	.			trans	-119.7	-3.9	178.5	-42.2	0	0	0	0	111	S391 Y499 Y505 T669 H673 W674	S391-V671 WeakPolarHBondContact O-CG2 3.28Å; S391-V671 PolarHBondContact O-N 2.66Å; Y499-V671 HydrophobicContact CD2-CG2 4.16Å; Y499-V671 HydrophobicContact CE2-CG2 3.45Å; Y499-V671 VanDerWaalsContact CE2-CG2 3.45Å; Y505-V671 HydrophobicContact CE1-CG2 4.44Å; Y505-V671 HydrophobicContact CE2-CG2 4.22Å; Y505-V671 WeakPolarHBondContact OH-CB 3.37Å; Y505-V671 PolarHBondContact OH-O 3.43Å; T669-V671 HydrophobicContact CG2-CG1 4.42Å; V671-H673 PolarHBondContact O-N 3.15Å; V671-W674 WeakPolarHBondContact O-CB 3.03Å; V671-W674 PolarHBondContact O-N 2.92Å
672	V	98.6	Very high	94.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.4	-174.6	-171.4	0	0	0	0	111.1	L491 N493 Y499 T647 A649 S670 W674	L491-V672 HydrophobicContact CD1-CG1 3.68Å; L491-V672 HydrophobicContact CD2-CG1 3.85Å; L491-V672 HydrophobicContact CG-CG1 4.31Å; N493-V672 WeakPolarHBondContact CB-O 3.43Å; N493-V672 PolarHBondContact ND2-O 3.42Å; Y499-V672 HydrophobicContact CD1-CB 4.33Å; Y499-V672 HydrophobicContact CD1-CG1 4Å; Y499-V672 HydrophobicContact CD1-CG2 3.55Å; Y499-V672 HydrophobicContact CD2-CG2 4.11Å; Y499-V672 HydrophobicContact CE1-CG2 3.49Å; Y499-V672 VanDerWaalsContact CE1-CG2 3.49Å; Y499-V672 HydrophobicContact CE2-CG2 4.03Å; Y499-V672 HydrophobicContact CG-CB 4.31Å; Y499-V672 HydrophobicContact CG-CG1 4.02Å; Y499-V672 HydrophobicContact CG-CG2 3.89Å; T647-V672 HydrophobicContact CG2-CG1 3.66Å; A649-V672 HydrophobicContact CB-CB 3.7Å; A649-V672 HydrophobicContact CB-CG1 4.04Å; A649-V672 HydrophobicContact CB-CG2 3.57Å; S670-V672 PolarHBondContact OG-N 2.67Å; V672-W674 PolarHBondContact O-N 2.84Å
673	H	98.4	Very high	95.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	11.3	-177	-44.6	103.2	0	0	0	113.4	V620 L641 S643 T647 A649 S670 V671 G675 E676 W682	V620-H673 WeakPolarHBondContact CB-O 3.49Å; V620-H673 HydrophobicContact CG1-CB 4.07Å; L641-H673 PolarHBondContact O-CE1 2.74Å; L641-H673 PolarHBondContact O-NE2 3.36Å; S643-H673 VanDerWaalsContact CB-CD2 3.44Å; S643-H673 WeakPolarHBondContact CB-CD2 3.24Å; T647-H673 PolarHBondContact O-NE2 3.04Å; T647-H673 VanDerWaalsContact O-NE2 3.15Å; A649-H673 VanDerWaalsContact CB-CE1 3.42Å; A649-H673 WeakPolarHBondContact CB-CE1 3.42Å; S670-H673 PolarHBondContact OG-CE1 2.77Å; S670-H673 PolarHBondContact OG-ND1 3.19Å; V671-H673 PolarHBondContact O-N 3.15Å; H673-G675 PolarHBondContact O-N 3.18Å; H673-E676 IonicContact CD2-OE2 2.65Å; H673-E676 VanDerWaalsContact O-CB 3.32Å; H673-E676 WeakPolarHBondContact O-CB 3.33Å; H673-E676 WeakPolarHBondContact O-CG 3.1Å; H673-E676 PolarHBondContact O-N 3.18Å; H673-E676 VanDerWaalsContact O-N 3.1Å; H673-W682 HydrophobicContact CB-CH2 3.87Å; H673-W682 HydrophobicContact CB-CZ3 4.31Å; H673-W682 AromaticContact CD2-CZ3 3.97Å; H673-W682 AromaticContact CG-CH2 3.86Å; H673-W682 AromaticContact CG-CZ3 3.78Å; H673-W682 AromaticContact ND1-CZ3 3.87Å
674	W	97.9	Very high	95.8	Very high	11 Å²	11	17.1 Å²	17.1	4%	0.042	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	130.8	-175.5	-166.3	-71.6	0	0	0	112.3	R394 H474 N493 A495 L497 Y505 V620 E621 V671 V672 E676	R394-W674 VanDerWaalsContact NH1-CZ3 3.3Å; H474-W674 HydrophobicContact CB-CZ2 4.25Å; H474-W674 AromaticContact CD2-CZ2 3.5Å; H474-W674 VanDerWaalsContact CD2-CZ2 3.5Å; H474-W674 WeakPolarHBondContact CD2-CZ2 3.42Å; H474-W674 AromaticContact CE1-CE2 3.93Å; H474-W674 AromaticContact CE1-CZ2 3.54Å; H474-W674 AromaticContact CE1-NE1 3.79Å; H474-W674 AromaticContact CG-CZ2 3.56Å; H474-W674 AromaticContact ND1-CE2 3.88Å; H474-W674 AromaticContact ND1-CZ2 3.6Å; H474-W674 AromaticContact ND1-NE1 3.54Å; H474-W674 AromaticContact NE2-CZ2 3.5Å; N493-W674 PolarHBondContact ND2-O 3.19Å; A495-W674 WeakPolarHBondContact CB-O 3.38Å; L497-W674 HydrophobicContact CD1-CB 4.19Å; L497-W674 HydrophobicContact CD1-CG 4.34Å; L497-W674 WeakPolarHBondContact CD1-O 3.42Å; Y505-W674 HydrophobicContact CE1-CB 4.5Å; Y505-W674 WeakPolarHBondContact OH-CB 3.18Å; V620-W674 CarbonylContact O-C 3.56Å; V620-W674 WeakPolarHBondContact O-CA 3.1Å; E621-W674 HydrophobicContact CB-CD2 4.4Å; E621-W674 HydrophobicContact CB-CE3 4.2Å; E621-W674 HydrophobicContact CB-CH2 3.68Å; E621-W674 HydrophobicContact CB-CZ2 3.99Å; E621-W674 HydrophobicContact CB-CZ3 3.79Å; E621-W674 HydrophobicContact CG-CH2 3.98Å; E621-W674 HydrophobicContact CG-CZ2 3.83Å; E621-W674 WeakPolarHBondContact O-CZ3 3.07Å; V671-W674 WeakPolarHBondContact O-CB 3.03Å; V671-W674 PolarHBondContact O-N 2.92Å; V672-W674 PolarHBondContact O-N 2.84Å; W674-E676 VanDerWaalsContact C-N 3.28Å; W674-E676 PolarHBondContact O-N 3.34Å
675	G	96.8	Very high	96.4	Very high	21 Å²	21	20 Å²	20	22%	0.216	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-3.9	-179	0	0	0	0	0	115.1	A495 M619 V620 H673	A495-G675 VanDerWaalsContact CB-C 3.49Å; M619-G675 WeakPolarHBondContact CE-O 3.12Å; V620-G675 PolarHBondContact O-N 2.84Å; H673-G675 PolarHBondContact O-N 3.18Å
676	E	97.9	Very high	97	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	11%	0.112	C	C	.	.	S	Bend	trans	-76.3	159.5	177.5	-63.9	-173.6	159.9	0	0	112.5	N493 G494 A495 M619 V620 S643 S645 T647 H673 W674 A678	N493-E676 WeakPolarHBondContact CB-OE1 3.15Å; G494-E676 PolarHBondContact N-OE1 3.03Å; A495-E676 HydrophobicContact CB-CG 4.34Å; M619-E676 CarbonylContact C-O 3.32Å; M619-E676 WeakPolarHBondContact CA-O 3.49Å; V620-E676 PolarHBondContact N-O 2.75Å; S643-E676 WeakPolarHBondContact CB-OE2 3.49Å; S643-E676 PolarHBondContact OG-OE2 3.5Å; S645-E676 WeakPolarHBondContact CB-OE1 3.46Å; T647-E676 VanDerWaalsContact CB-OE1 3.26Å; T647-E676 WeakPolarHBondContact CB-OE1 3.17Å; T647-E676 PolarHBondContact OG1-OE1 2.86Å; H673-E676 IonicContact CD2-OE2 2.65Å; H673-E676 VanDerWaalsContact O-CB 3.32Å; H673-E676 WeakPolarHBondContact O-CB 3.33Å; H673-E676 WeakPolarHBondContact O-CG 3.1Å; H673-E676 PolarHBondContact O-N 3.18Å; H673-E676 VanDerWaalsContact O-N 3.1Å; W674-E676 VanDerWaalsContact C-N 3.28Å; W674-E676 PolarHBondContact O-N 3.34Å; E676-A678 PolarHBondContact O-N 3.06Å
677	I	96.7	Very high	97.3	Very high	79 Å²	79	21.8 Å²	21.8	41%	0.405	12%	0.122	S	C	.	.	B	Isolated β-bridge	trans	-69.1	127.5	171.8	-62.7	171.1	0	0	0	109	D618 M619 A679	D618-I677 WeakPolarHBondContact O-CA 3.31Å; M619-I677 HydrophobicContact SD-CG1 4.46Å; I677-A679 HydrophobicContact CG2-CB 4.16Å
678	A	97.3	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.			trans	-73.9	-30.3	-177.9	0	0	0	0	0	113.5	L597 V617 D618 V620 E676 W682 I717	L597-A678 HydrophobicContact CD2-CB 4.1Å; V617-A678 HydrophobicContact CG1-CB 4.47Å; V617-A678 VanDerWaalsContact O-CB 3.24Å; V617-A678 WeakPolarHBondContact O-CB 3.37Å; D618-A678 PolarHBondContact O-N 2.9Å; V620-A678 HydrophobicContact CG2-CB 3.75Å; E676-A678 PolarHBondContact O-N 3.06Å; A678-W682 PolarHBondContact O-NE1 2.87Å; A678-I717 HydrophobicContact CB-CD1 4.15Å; A678-I717 HydrophobicContact CB-CG2 4.47Å
679	A	97	Very high	97.3	Very high	38 Å²	38	23 Å²	23	31%	0.314	13%	0.127	S	C	.	.			trans	-67.9	137.8	-178.7	0	0	0	0	0	112.4	I594 L597 I677	I594-A679 WeakPolarHBondContact O-CA 3.19Å; L597-A679 HydrophobicContact CD1-CB 4.08Å; L597-A679 HydrophobicContact CD2-CB 4.04Å; L597-A679 HydrophobicContact CG-CB 4.35Å; I677-A679 HydrophobicContact CG2-CB 4.16Å
680	G	96.7	Very high	96.8	Very high	21 Å²	21	23.2 Å²	23.2	22%	0.216	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.3	-163.4	173.8	0	0	0	0	0	113.4	I594 W682	I594-G680 PolarHBondContact N-O 3.36Å; I594-G680 PolarHBondContact O-N 2.86Å; G680-W682 PolarHBondContact O-N 2.79Å
681	L	97.3	Very high	95.8	Very high	81 Å²	81	25.1 Å²	25.1	42%	0.424	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	105	-175	-172	68	0	0	0	111.5	Y591 N593	Y591-L681 HydrophobicContact CD1-CD1 3.95Å; Y591-L681 HydrophobicContact CD1-CD2 3.98Å; Y591-L681 HydrophobicContact CD1-CG 4.07Å; Y591-L681 HydrophobicContact CE1-CD2 4.32Å; Y591-L681 HydrophobicContact CG-CD1 4.43Å; N593-L681 HydrophobicContact CB-CD1 4.19Å
682	W	97.8	Very high	94.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	146.5	169.3	-67.8	76.7	0	0	0	110.9	Y591 F592 I594 V620 V623 L641 I642 P644 H673 A678 G680 L715 I717	Y591-W682 WeakPolarHBondContact CA-O 3.46Å; F592-W682 HydrophobicContact CB-CB 4.17Å; F592-W682 HydrophobicContact CD2-CB 4.12Å; F592-W682 PolarHBondContact N-O 3.45Å; F592-W682 PolarHBondContact O-N 3.29Å; I594-W682 HydrophobicContact CD1-CG 4.31Å; V620-W682 HydrophobicContact CG2-CH2 4.18Å; V620-W682 HydrophobicContact CG2-CZ2 3.89Å; V623-W682 HydrophobicContact CG2-CH2 3.71Å; V623-W682 HydrophobicContact CG2-CZ3 3.86Å; L641-W682 HydrophobicContact CD1-CE3 3.92Å; L641-W682 HydrophobicContact CD2-CE3 4.27Å; L641-W682 HydrophobicContact CD2-CZ3 4.12Å; L641-W682 HydrophobicContact CG-CE3 4.06Å; L641-W682 HydrophobicContact CG-CZ3 4.2Å; I642-W682 WeakPolarHBondContact O-CA 3.3Å; P644-W682 HydrophobicContact CG-CG 4.39Å; H673-W682 HydrophobicContact CB-CH2 3.87Å; H673-W682 HydrophobicContact CB-CZ3 4.31Å; H673-W682 AromaticContact CD2-CZ3 3.97Å; H673-W682 AromaticContact CG-CH2 3.86Å; H673-W682 AromaticContact CG-CZ3 3.78Å; H673-W682 AromaticContact ND1-CZ3 3.87Å; A678-W682 PolarHBondContact O-NE1 2.87Å; G680-W682 PolarHBondContact O-N 2.79Å; W682-L715 HydrophobicContact CB-CD1 4.32Å; W682-L715 HydrophobicContact CG-CD1 4.5Å; W682-I717 HydrophobicContact CZ2-CD1 4.02Å
683	K	97.7	Very high	92.9	Very high	53 Å²	53	29.6 Å²	29.6	23%	0.23	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.1	179.4	-56.1	167.2	-73.2	-178.3	0	109.6	V589 I590 Y591 I642	V589-K683 HydrophobicContact CG1-CB 4.05Å; V589-K683 HydrophobicContact CG1-CG 4.43Å; I590-K683 WeakPolarHBondContact O-CA 3.38Å; Y591-K683 HydrophobicContact CD1-CG 3.81Å; Y591-K683 HydrophobicContact CE1-CD 4.12Å; Y591-K683 HydrophobicContact CE1-CG 3.79Å; I642-K683 HydrophobicContact CB-CB 4.22Å; I642-K683 HydrophobicContact CD1-CB 4.46Å; I642-K683 VanDerWaalsContact CG2-CE 3.48Å; I642-K683 PolarHBondContact N-O 2.92Å; I642-K683 PolarHBondContact O-N 2.95Å
684	L	97.6	Very high	90.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	108.1	162.9	170.2	62.5	0	0	0	107.8	V589 I590 F592 L625 I627 M639 H640 I651 I686 V713	V589-L684 WeakPolarHBondContact CA-O 3.34Å; I590-L684 HydrophobicContact CB-CB 4.32Å; I590-L684 HydrophobicContact CD1-CD2 4.31Å; I590-L684 PolarHBondContact N-O 3.38Å; I590-L684 PolarHBondContact O-N 2.94Å; F592-L684 HydrophobicContact CE2-CB 3.68Å; F592-L684 HydrophobicContact CZ-CB 4.21Å; F592-L684 HydrophobicContact CZ-CD2 4.44Å; L625-L684 HydrophobicContact CD1-CD1 4.16Å; I627-L684 HydrophobicContact CD1-CD1 4.25Å; I627-L684 HydrophobicContact CD1-CD2 3.7Å; I627-L684 HydrophobicContact CG1-CD2 4.38Å; M639-L684 HydrophobicContact CB-CD1 4.47Å; H640-L684 WeakPolarHBondContact O-CA 3.42Å; I651-L684 HydrophobicContact CD1-CD1 3.78Å; L684-I686 HydrophobicContact CD1-CG1 4.21Å; L684-I686 HydrophobicContact CD2-CD1 4.15Å; L684-I686 HydrophobicContact CG-CD1 4.17Å; L684-I686 HydrophobicContact CG-CG1 4Å; L684-V713 HydrophobicContact CD2-CG1 4Å; L684-V713 HydrophobicContact CD2-CG2 4.19Å
685	K	98.3	Very high	88.8	Confident	65 Å²	65	41 Å²	41	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.8	176.3	177.4	-172.6	-178	-178.4	0	108.7	D587 V589 M639 H640 I642	D587-K685 WeakPolarHBondContact OD1-CE 3.37Å; D587-K685 IonicContact OD1-NZ 3.75Å; D587-K685 WeakPolarHBondContact OD2-CE 3.44Å; D587-K685 IonicContact OD2-NZ 3.95Å; D587-K685 PolarHBondContact OD2-NZ 3Å; V589-K685 HydrophobicContact CG2-CB 4.5Å; V589-K685 HydrophobicContact CG2-CG 4.39Å; M639-K685 WeakPolarHBondContact CA-O 3.33Å; H640-K685 HydrophobicContact CB-CB 4.21Å; H640-K685 PolarHBondContact N-O 2.82Å; H640-K685 PolarHBondContact O-N 2.91Å; I642-K685 HydrophobicContact CD1-CB 4.44Å
686	I	98.1	Very high	86.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.8	178.7	-54.2	171.7	0	0	0	107.6	L582 T588 I590 L637 E638 M639 L684 I710	L582-I686 HydrophobicContact CD2-CB 4.13Å; L582-I686 HydrophobicContact CD2-CG2 3.68Å; T588-I686 PolarHBondContact N-O 2.91Å; T588-I686 PolarHBondContact O-N 3.19Å; I590-I686 HydrophobicContact CD1-CD1 4.3Å; L637-I686 HydrophobicContact CD2-CG2 4.24Å; E638-I686 CarbonylContact O-C 3.23Å; E638-I686 WeakPolarHBondContact O-CA 2.92Å; M639-I686 HydrophobicContact CE-CG2 4.45Å; M639-I686 HydrophobicContact CG-CG1 4.16Å; M639-I686 HydrophobicContact CG-CG2 4.17Å; L684-I686 HydrophobicContact CD1-CG1 4.21Å; L684-I686 HydrophobicContact CD2-CD1 4.15Å; L684-I686 HydrophobicContact CG-CD1 4.17Å; L684-I686 HydrophobicContact CG-CG1 4Å; I686-I710 HydrophobicContact CD1-CD1 3.74Å; I686-I710 HydrophobicContact CD1-CG1 3.55Å
687	H	97.7	Very high	84	Confident	48 Å²	48	50.9 Å²	50.9	22%	0.222	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.4	173.8	-170.3	78.5	0	0	0	109.1	D587 E638 H689	D587-H687 WeakPolarHBondContact OD1-CB 3.46Å; D587-H687 IonicContact OD1-CE1 3.13Å; D587-H687 IonicContact OD1-CG 2.69Å; D587-H687 IonicContact OD1-ND1 3.22Å; D587-H687 PolarHBondContact OD1-ND1 2.92Å; E638-H687 HydrophobicContact CB-CB 4.42Å; E638-H687 PolarHBondContact N-O 3.22Å; E638-H687 PolarHBondContact O-N 2.9Å; H687-H689 AromaticContact CD2-CD2 3.59Å; H687-H689 AromaticContact CD2-CE1 3.75Å; H687-H689 AromaticContact CD2-CG 3.61Å; H687-H689 AromaticContact CD2-ND1 3.76Å; H687-H689 AromaticContact CD2-NE2 3.67Å; H687-H689 AromaticContact NE2-ND1 3.98Å
688	D	95.3	Very high	81.4	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.1	166.1	174.7	12	0	0	0	108.4	K585 S586 H631 S636 L637 G690 N707	K585-D688 WeakPolarHBondContact CA-O 3.45Å; K585-D688 PolarHBondContact N-O 3.26Å; S586-D688 PolarHBondContact N-O 2.93Å; S586-D688 PolarHBondContact O-N 3.11Å; H631-D688 IonicContact CE1-OD1 2.71Å; H631-D688 IonicContact CE1-OD2 3.95Å; H631-D688 IonicContact NE2-OD2 2.62Å; H631-D688 PolarHBondContact NE2-OD2 3.03Å; S636-D688 VanDerWaalsContact CB-OD1 3.32Å; S636-D688 WeakPolarHBondContact CB-OD1 3.45Å; S636-D688 PolarHBondContact OG-OD1 3.21Å; L637-D688 HydrophobicContact CD2-CB 4Å; D688-G690 PolarHBondContact O-N 2.87Å; D688-G690 VanDerWaalsContact O-N 3.1Å; D688-G690 PolarHBondContact OD1-N 3.02Å; D688-N707 VanDerWaalsContact OD2-CB 3.26Å; D688-N707 WeakPolarHBondContact OD2-CB 3.32Å; D688-N707 PolarHBondContact OD2-ND2 3.1Å
689	H	93.3	Very high	78.9	Confident	54 Å²	54	56 Å²	56	25%	0.25	31%	0.311	C	S	.	.			trans	-68.8	-4.7	-179.9	-76.8	-93.7	0	0	0	114	S636 E638 Q654 H687 Q691	S636-H689 PolarHBondContact O-CD2 3.31Å; S636-H689 VanDerWaalsContact O-CD2 3.31Å; S636-H689 PolarHBondContact O-N 2.72Å; S636-H689 PolarHBondContact OG-N 2.93Å; E638-H689 IonicContact OE2-CD2 3.68Å; E638-H689 IonicContact OE2-CE1 3.89Å; E638-H689 IonicContact OE2-NE2 3.04Å; E638-H689 PolarHBondContact OE2-NE2 2.9Å; Q654-H689 PolarHBondContact NE2-CD2 2.94Å; Q654-H689 VanDerWaalsContact NE2-CD2 3.32Å; Q654-H689 PolarHBondContact NE2-ND1 3.49Å; H687-H689 AromaticContact CD2-CD2 3.59Å; H687-H689 AromaticContact CD2-CE1 3.75Å; H687-H689 AromaticContact CD2-CG 3.61Å; H687-H689 AromaticContact CD2-ND1 3.76Å; H687-H689 AromaticContact CD2-NE2 3.67Å; H687-H689 AromaticContact NE2-ND1 3.98Å; H689-Q691 VanDerWaalsContact C-N 3.29Å; H689-Q691 HydrophobicContact CB-CG 4.25Å; H689-Q691 PolarHBondContact O-N 3.27Å
690	G	86.8	Confident	76.3	Confident	9 Å²	9	61.1 Å²	61.1	9%	0.093	33%	0.333	C	S	.	.			trans	69.2	26.5	-178.6	0	0	0	0	0	113.5	S584 S636 D688	S584-G690 WeakPolarHBondContact OG-CA 3.39Å; S636-G690 PolarHBondContact OG-N 2.95Å; D688-G690 PolarHBondContact O-N 2.87Å; D688-G690 VanDerWaalsContact O-N 3.1Å; D688-G690 PolarHBondContact OD1-N 3.02Å
691	Q	77	Confident	73.8	Confident	43 Å²	43	67 Å²	67	20%	0.201	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	145.9	171.8	-62.8	-168.9	-25.8	0	0	109.7	S636 Q654 H689	S636-Q691 PolarHBondContact OG-N 3.22Å; Q654-Q691 VanDerWaalsContact CD-NE2 3.28Å; Q654-Q691 VanDerWaalsContact NE2-CD 3.31Å; H689-Q691 VanDerWaalsContact C-N 3.29Å; H689-Q691 HydrophobicContact CB-CG 4.25Å; H689-Q691 PolarHBondContact O-N 3.27Å
692	C	70.4	Confident	71.4	Confident	31 Å²	31	68.9 Å²	68.9	21%	0.209	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	20.6	175.6	-33.2	0	0	0	0	115.5	C633	C633-C692 HydrophobicContact CB-CB 3.44Å; C633-C692 VanDerWaalsContact CB-CB 3.44Å; C633-C692 WeakPolarHBondContact CB-SG 3.43Å; C633-C692 WeakPolarHBondContact SG-CB 3.4Å; C633-C692 CovalentContact SG-SG 2.04Å; C633-C692 PolarHBondContact SG-SG 3.17Å
693	E	64.7	Low	68.9	Low	65 Å²	65	76.8 Å²	76.8	30%	0.304	41%	0.406	S	S	.	.			trans	-58.7	136.2	167.8	-75.3	-174.6	161.4	0	0	111.3	S584 K695	S584-E693 WeakPolarHBondContact CB-OE1 3.3Å; S584-E693 PolarHBondContact OG-OE1 3.49Å; E693-K695 PolarHBondContact O-N 2.92Å
694	P	56.3	Low	67	Low	37 Å²	37	79.6 Å²	79.6	24%	0.24	42%	0.424	C	S	.	.			trans	-57.6	129.2	172.8	-21.1	30.9	0	0	0	110.4	Q696 S697	P694-Q696 PolarHBondContact O-N 2.7Å; P694-S697 PolarHBondContact O-N 3.41Å; P694-S697 PolarHBondContact O-OG 2.82Å
695	K	54.3	Low	65.9	Low	214 Å²	214	83.1 Å²	83.1	93%	0.93	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-5.3	-179.7	-69.9	-174.6	177.4	-179.5	0	114.9	E693	E693-K695 PolarHBondContact O-N 2.92Å
696	Q	46.7	Very low	65.3	Low	162 Å²	162	80.8 Å²	80.8	76%	0.757	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	13.1	-174.8	-70.2	-170.1	-4.1	0	0	115.2	P694 T698	P694-Q696 PolarHBondContact O-N 2.7Å; Q696-T698 PolarHBondContact O-N 3.47Å
697	S	48.1	Very low	64.8	Low	67 Å²	67	81.7 Å²	81.7	47%	0.469	44%	0.438	S	S	.	.			trans	-76.6	58.1	165.1	57.3	0	0	0	0	111.4	P694	P694-S697 PolarHBondContact O-N 3.41Å; P694-S697 PolarHBondContact O-OG 2.82Å
698	T	40.5	Very low	64.5	Low	134 Å²	134	79.4 Å²	79.4	82%	0.822	43%	0.427	S	S	*	.			trans	-86.6	6.2	169.6	50.6	0	0	0	0	112.5	Q696	Q696-T698 PolarHBondContact O-N 3.47Å
699	G	46.2	Very low	64.2	Low	54 Å²	54	79.3 Å²	79.3	56%	0.557	43%	0.427	S	S	*	.	S	Bend	trans	-87	124.4	173.3	0	0	0	0	0	111.6	N701	G699-N701 PolarHBondContact O-N 3.35Å
700	N	41.6	Very low	64.2	Low	145 Å²	145	76.8 Å²	76.8	78%	0.775	42%	0.415	S	S	*	.	S	Bend	trans	-61.4	34.9	-173.6	-127.9	-2.4	0	0	0	116.8	N702	N700-N702 VanDerWaalsContact C-N 3.33Å; N700-N702 PolarHBondContact O-N 2.95Å
701	N	44.5	Very low	64.3	Low	143 Å²	143	76.5 Å²	76.5	77%	0.765	41%	0.412	S	S	*	.			trans	-93.7	62.2	175.6	-74.8	-15.5	0	0	0	110.6	G699 H703	G699-N701 PolarHBondContact O-N 3.35Å; N701-H703 VanDerWaalsContact C-N 3.3Å; N701-H703 PolarHBondContact O-N 2.92Å
702	N	45.8	Very low	64.8	Low	122 Å²	122	74.9 Å²	74.9	65%	0.652	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	12.4	-163.5	-99.1	-8.6	0	0	0	118.3	N700	N700-N702 VanDerWaalsContact C-N 3.33Å; N700-N702 PolarHBondContact O-N 2.95Å
703	H	47.1	Very low	65.9	Low	165 Å²	165	73.4 Å²	73.4	76%	0.764	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-2.1	-170.5	-71.1	-51.6	0	0	0	118.6	N701	N701-H703 VanDerWaalsContact C-N 3.3Å; N701-H703 PolarHBondContact O-N 2.92Å
704	N	56.2	Low	67.2	Low	112 Å²	112	71.9 Å²	71.9	60%	0.599	39%	0.388	S	S	*	.			trans	-131.5	25.9	-175.9	-84	-18.2	0	0	0	115.5	I706	N704-I706 PolarHBondContact O-N 3.21Å
705	N	75.5	Confident	69.1	Low	74 Å²	74	70.1 Å²	70.1	40%	0.396	38%	0.376	S	S	.	.			trans	-74.2	78.2	175.4	-74.4	3.2	0	0	0	111	S584 N707	S584-N705 PolarHBondContact N-O 3.1Å; N705-N707 PolarHBondContact O-N 3.32Å
706	I	84.9	Confident	71.1	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.087	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	110.6	168	-61.4	175.5	0	0	0	107.1	I569 Y572 P581 L582 K583 N704 G708	I569-I706 HydrophobicContact CG1-CB 4.48Å; Y572-I706 HydrophobicContact CD1-CD1 3.62Å; Y572-I706 HydrophobicContact CE1-CD1 3.53Å; P581-I706 HydrophobicContact CB-CD1 3.93Å; P581-I706 HydrophobicContact CB-CG1 4.13Å; P581-I706 HydrophobicContact CB-CG2 4.12Å; L582-I706 CarbonylContact O-C 3.56Å; L582-I706 WeakPolarHBondContact O-CA 3.46Å; K583-I706 HydrophobicContact CG-CG1 4.42Å; N704-I706 PolarHBondContact O-N 3.21Å; I706-G708 WeakPolarHBondContact CG2-O 3.46Å
707	N	88.1	Confident	73.5	Confident	18 Å²	18	52.7 Å²	52.7	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-19.1	178.1	-75	-12	0	0	0	112.2	L582 S584 H631 S632 D688 N705	L582-N707 PolarHBondContact O-N 3.31Å; S584-N707 WeakPolarHBondContact CA-ND2 3.17Å; S584-N707 VanDerWaalsContact CB-ND2 3.34Å; S584-N707 WeakPolarHBondContact CB-ND2 3.49Å; H631-N707 WeakPolarHBondContact NE2-CB 3.34Å; S632-N707 WeakPolarHBondContact CB-O 3.35Å; S632-N707 PolarHBondContact N-O 3.09Å; S632-N707 PolarHBondContact OG-O 3.21Å; D688-N707 VanDerWaalsContact OD2-CB 3.26Å; D688-N707 WeakPolarHBondContact OD2-CB 3.32Å; D688-N707 PolarHBondContact OD2-ND2 3.1Å; N705-N707 PolarHBondContact O-N 3.32Å
708	G	90.3	Very high	75.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-165.5	176.8	0	0	0	0	0	112.1	L582 K630 I706	L582-G708 PolarHBondContact N-O 3.37Å; L582-G708 PolarHBondContact O-N 2.93Å; K630-G708 CarbonylContact O-C 3.57Å; K630-G708 WeakPolarHBondContact O-CA 3.28Å; I706-G708 WeakPolarHBondContact CG2-O 3.46Å
709	F	90.9	Very high	78.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	151.4	179	50.2	-85.4	0	0	0	111.2	I568 Q571 Y572 Y576 S579 W580 W629 K630 T711	I568-F709 HydrophobicContact CG2-CD1 4.22Å; I568-F709 HydrophobicContact CG2-CE1 4.06Å; Q571-F709 HydrophobicContact CB-CZ 4.49Å; Q571-F709 HydrophobicContact CG-CZ 4.47Å; Y572-F709 HydrophobicContact CD2-CB 3.84Å; Y572-F709 HydrophobicContact CD2-CD1 4.03Å; Y572-F709 AromaticContact CD2-CG 3.91Å; Y572-F709 HydrophobicContact CD2-CG 3.91Å; Y572-F709 HydrophobicContact CE2-CB 4.38Å; Y572-F709 HydrophobicContact CG-CD1 4.25Å; Y576-F709 HydrophobicContact CD1-CE2 4.25Å; Y576-F709 AromaticContact CD2-CE2 3.49Å; Y576-F709 HydrophobicContact CD2-CE2 3.49Å; Y576-F709 VanDerWaalsContact CD2-CE2 3.49Å; Y576-F709 AromaticContact CD2-CZ 3.73Å; Y576-F709 HydrophobicContact CD2-CZ 3.73Å; Y576-F709 HydrophobicContact CE2-CE2 4.2Å; Y576-F709 HydrophobicContact CE2-CZ 4.37Å; Y576-F709 HydrophobicContact CG-CD2 4.25Å; Y576-F709 AromaticContact CG-CE2 3.55Å; Y576-F709 HydrophobicContact CG-CE2 3.55Å; Y576-F709 HydrophobicContact CG-CZ 4.23Å; S579-F709 WeakPolarHBondContact OG-CD2 3.32Å; W580-F709 CarbonylContact O-C 3.55Å; W580-F709 WeakPolarHBondContact O-CA 3.22Å; W580-F709 WeakPolarHBondContact O-CB 3.42Å; W629-F709 WeakPolarHBondContact CA-O 3.2Å; K630-F709 HydrophobicContact CB-CE1 4.13Å; K630-F709 HydrophobicContact CB-CE2 4.1Å; K630-F709 HydrophobicContact CB-CZ 3.86Å; K630-F709 HydrophobicContact CD-CE1 4.3Å; K630-F709 HydrophobicContact CD-CZ 3.93Å; K630-F709 HydrophobicContact CG-CE1 4.49Å; K630-F709 HydrophobicContact CG-CZ 4.37Å; K630-F709 PolarHBondContact N-O 2.89Å; K630-F709 PolarHBondContact O-N 3.39Å; F709-T711 HydrophobicContact CD2-CG2 3.49Å; F709-T711 VanDerWaalsContact CD2-CG2 3.49Å; F709-T711 HydrophobicContact CE2-CG2 3.36Å
710	I	92.2	Very high	80.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.2	171.7	-57.6	-58.1	0	0	0	108.7	S579 W580 L582 I590 I627 K628 W629 I686 V713	S579-I710 VanDerWaalsContact CB-O 3.25Å; S579-I710 WeakPolarHBondContact CB-O 3.28Å; W580-I710 HydrophobicContact CB-CB 4.29Å; W580-I710 HydrophobicContact CE3-CB 4.03Å; W580-I710 HydrophobicContact CE3-CG2 3.93Å; W580-I710 HydrophobicContact CZ3-CG2 4.36Å; W580-I710 PolarHBondContact N-O 2.76Å; W580-I710 PolarHBondContact O-N 2.68Å; L582-I710 HydrophobicContact CD1-CD1 3.82Å; L582-I710 HydrophobicContact CD1-CG1 4.16Å; L582-I710 HydrophobicContact CD2-CD1 4.47Å; L582-I710 HydrophobicContact CD2-CG1 4.13Å; L582-I710 HydrophobicContact CG-CD1 4.49Å; L582-I710 HydrophobicContact CG-CG1 4.3Å; I590-I710 HydrophobicContact CD1-CB 4.3Å; I590-I710 HydrophobicContact CD1-CG1 4.39Å; I590-I710 HydrophobicContact CD1-CG2 4.06Å; I627-I710 HydrophobicContact CG2-CD1 4.07Å; I627-I710 HydrophobicContact CG2-CG2 4.06Å; K628-I710 WeakPolarHBondContact O-CG2 3.41Å; W629-I710 HydrophobicContact CB-CD1 3.66Å; I686-I710 HydrophobicContact CD1-CD1 3.74Å; I686-I710 HydrophobicContact CD1-CG1 3.55Å; I710-V713 HydrophobicContact CG2-CG2 3.42Å; I710-V713 VanDerWaalsContact CG2-CG2 3.42Å
711	T	88.3	Confident	83.4	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.025	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-28.4	-175.4	50.5	0	0	0	0	113.3	Y536 V538 Y576 K628 F709	Y536-T711 PolarHBondContact N-O 3.08Å; V538-T711 HydrophobicContact CG2-CG2 3.97Å; Y576-T711 HydrophobicContact CD1-CG2 3.86Å; Y576-T711 HydrophobicContact CE1-CG2 4.01Å; Y576-T711 HydrophobicContact CG-CG2 4.34Å; K628-T711 VanDerWaalsContact CB-OG1 3.3Å; K628-T711 WeakPolarHBondContact CB-OG1 3.41Å; K628-T711 PolarHBondContact O-N 3.07Å; K628-T711 PolarHBondContact O-OG1 3.23Å; F709-T711 HydrophobicContact CD2-CG2 3.49Å; F709-T711 VanDerWaalsContact CD2-CG2 3.49Å; F709-T711 HydrophobicContact CE2-CG2 3.36Å
712	S	89.2	Confident	85.7	Confident	8 Å²	8	35.4 Å²	35.4	6%	0.056	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	142.6	179.3	-176.4	0	0	0	0	111.2	K628	K628-S712 PolarHBondContact N-O 3.09Å; K628-S712 PolarHBondContact O-N 3.1Å
713	V	92.2	Very high	87.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.7	167.4	-171.5	0	0	0	0	110	N533 W580 I590 F592 L625 H626 I627 L684 I710	N533-V713 CarbonylContact C-O 3.48Å; N533-V713 PolarHBondContact N-O 3.39Å; N533-V713 VanDerWaalsContact N-O 3.08Å; W580-V713 HydrophobicContact CZ3-CG2 4.23Å; I590-V713 HydrophobicContact CD1-CG2 3.78Å; F592-V713 HydrophobicContact CE1-CB 4.25Å; F592-V713 HydrophobicContact CE1-CG1 3.88Å; F592-V713 HydrophobicContact CZ-CB 4.2Å; F592-V713 HydrophobicContact CZ-CG1 3.56Å; L625-V713 HydrophobicContact CD2-CG1 4.25Å; H626-V713 WeakPolarHBondContact O-CA 3.33Å; I627-V713 HydrophobicContact CG1-CG1 4.29Å; I627-V713 HydrophobicContact CG2-CG2 4.41Å; L684-V713 HydrophobicContact CD2-CG1 4Å; L684-V713 HydrophobicContact CD2-CG2 4.19Å; I710-V713 HydrophobicContact CG2-CG2 3.42Å; I710-V713 VanDerWaalsContact CG2-CG2 3.42Å
714	Q	93	Very high	90.1	Very high	33 Å²	33	29.8 Å²	29.8	15%	0.154	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.7	166.7	176.5	-173.4	-74.2	0	0	108.6	I530 K532 L625 H626 T716	I530-Q714 HydrophobicContact CG2-CG 3.86Å; K532-Q714 HydrophobicContact CG-CG 3.98Å; L625-Q714 WeakPolarHBondContact CA-O 3.47Å; H626-Q714 HydrophobicContact CB-CB 4.26Å; H626-Q714 PolarHBondContact N-O 2.77Å; H626-Q714 PolarHBondContact O-N 3.29Å; Q714-T716 PolarHBondContact NE2-OG1 2.93Å
715	L	95.6	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.5	175.3	-176	158.5	0	0	0	108.1	Y531 F592 I594 V623 L625 L641 W682 I717	Y531-L715 CarbonylContact C-O 3.56Å; Y531-L715 WeakPolarHBondContact CA-O 3.35Å; Y531-L715 PolarHBondContact N-O 3.46Å; Y531-L715 PolarHBondContact O-N 3.32Å; F592-L715 HydrophobicContact CB-CD1 4.34Å; F592-L715 HydrophobicContact CD1-CB 4.38Å; F592-L715 HydrophobicContact CD2-CD1 3.66Å; F592-L715 HydrophobicContact CE1-CB 4.47Å; F592-L715 HydrophobicContact CE2-CD1 4.09Å; F592-L715 HydrophobicContact CG-CD1 3.92Å; I594-L715 HydrophobicContact CD1-CD2 3.8Å; V623-L715 HydrophobicContact CG1-CD1 4.32Å; V623-L715 HydrophobicContact CG1-CD2 4.11Å; V623-L715 HydrophobicContact CG1-CG 3.93Å; L625-L715 HydrophobicContact CD2-CB 3.88Å; L625-L715 HydrophobicContact CD2-CD1 4.04Å; L625-L715 HydrophobicContact CD2-CG 3.93Å; L641-L715 HydrophobicContact CD1-CD1 4.42Å; W682-L715 HydrophobicContact CB-CD1 4.32Å; W682-L715 HydrophobicContact CG-CD1 4.5Å; L715-I717 HydrophobicContact CD2-CD1 3.86Å; L715-I717 HydrophobicContact CD2-CG1 3.39Å
716	T	96.4	Very high	92.6	Very high	11 Å²	11	21.3 Å²	21.3	7%	0.067	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.1	174.2	-63.8	0	0	0	0	108.6	V528 L529 I530 V623 I624 Q714	V528-T716 HydrophobicContact CG1-CG2 3.52Å; L529-T716 CarbonylContact O-C 3.39Å; L529-T716 VanDerWaalsContact O-CA 3.29Å; L529-T716 WeakPolarHBondContact O-CA 2.99Å; L529-T716 WeakPolarHBondContact O-CG2 3.11Å; I530-T716 HydrophobicContact CG1-CG2 4.12Å; V623-T716 WeakPolarHBondContact CA-O 3.27Å; I624-T716 HydrophobicContact CD1-CG2 4.33Å; I624-T716 PolarHBondContact N-O 3.28Å; I624-T716 PolarHBondContact O-N 2.85Å; Q714-T716 PolarHBondContact NE2-OG1 2.93Å
717	I	97.8	Very high	93.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.1	173	-53.3	-172.2	0	0	0	108.2	L529 I594 V617 V620 V623 A678 W682 L715	L529-I717 HydrophobicContact CD2-CB 4.27Å; L529-I717 HydrophobicContact CD2-CD1 4.44Å; L529-I717 HydrophobicContact CD2-CG1 4.19Å; L529-I717 PolarHBondContact N-O 2.87Å; L529-I717 PolarHBondContact O-N 2.83Å; I594-I717 HydrophobicContact CD1-CD1 3.55Å; I594-I717 HydrophobicContact CD1-CG1 4.41Å; V617-I717 HydrophobicContact CG1-CB 4.16Å; V617-I717 HydrophobicContact CG1-CG2 3.6Å; V620-I717 HydrophobicContact CB-CG2 4.38Å; V620-I717 HydrophobicContact CG1-CG2 4.16Å; V620-I717 HydrophobicContact CG2-CG2 3.95Å; V623-I717 HydrophobicContact CG1-CG1 4.44Å; A678-I717 HydrophobicContact CB-CD1 4.15Å; A678-I717 HydrophobicContact CB-CG2 4.47Å; W682-I717 HydrophobicContact CZ2-CD1 4.02Å; L715-I717 HydrophobicContact CD2-CD1 3.86Å; L715-I717 HydrophobicContact CD2-CG1 3.39Å
718	R	97.2	Very high	93.4	Very high	14 Å²	14	24.7 Å²	24.7	5%	0.053	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.2	165.7	-75	-172.3	175.4	171	-1	108.2	P369 D370 L526 V528 E621 Q622 I624	P369-R718 PolarHBondContact O-NH1 2.79Å; D370-R718 IonicContact OD1-CZ 3.63Å; D370-R718 IonicContact OD1-NH1 3.45Å; D370-R718 PolarHBondContact OD1-NH1 3.03Å; D370-R718 IonicContact OD1-NH2 3.85Å; D370-R718 PolarHBondContact OD1-NH2 2.88Å; L526-R718 HydrophobicContact CD1-CB 3.84Å; L526-R718 HydrophobicContact CD1-CG 4.35Å; V528-R718 HydrophobicContact CG1-CG 4.35Å; V528-R718 HydrophobicContact CG2-CG 4.09Å; E621-R718 WeakPolarHBondContact CA-O 3.5Å; E621-R718 WeakPolarHBondContact CB-O 3.35Å; E621-R718 PolarHBondContact N-O 3.15Å; Q622-R718 HydrophobicContact CB-CB 4.19Å; Q622-R718 PolarHBondContact N-O 2.55Å; Q622-R718 PolarHBondContact O-N 2.99Å; I624-R718 HydrophobicContact CD1-CG 4.11Å
719	G	97.1	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-158.2	-177.6	0	0	0	0	0	114	C527 M619	C527-G719 PolarHBondContact N-O 2.76Å; C527-G719 PolarHBondContact O-N 2.89Å; M619-G719 CarbonylContact O-C 3.46Å; M619-G719 WeakPolarHBondContact O-CA 3.31Å
720	T	95.5	Very high	93.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	165.2	-175.8	34.5	0	0	0	0	111.8	Q616 D618 M619 E621 N725	Q616-T720 CarbonylContact O-C 3.59Å; D618-T720 PolarHBondContact N-O 2.83Å; M619-T720 PolarHBondContact N-O 2.72Å; M619-T720 PolarHBondContact O-N 3.26Å; E621-T720 WeakPolarHBondContact OE1-CG2 3.35Å; T720-N725 WeakPolarHBondContact OG1-CA 3.43Å; T720-N725 VanDerWaalsContact OG1-CB 3.24Å; T720-N725 WeakPolarHBondContact OG1-CB 3.25Å
721	S	94.3	Very high	94.1	Very high	27 Å²	27	32.7 Å²	32.7	19%	0.189	16%	0.164	C	C	.	.			trans	-65.1	159.9	163.7	90.2	0	0	0	0	110.5	Q616 D618 N723 D724 N725	Q616-S721 PolarHBondContact O-N 3.28Å; D618-S721 VanDerWaalsContact OD2-CA 3.28Å; D618-S721 WeakPolarHBondContact OD2-CA 3.37Å; S721-N723 PolarHBondContact O-N 3.12Å; S721-N723 VanDerWaalsContact O-N 3.12Å; S721-N723 PolarHBondContact OG-N 2.96Å; S721-D724 PolarHBondContact O-N 3.13Å; S721-D724 VanDerWaalsContact O-N 3.16Å; S721-D724 WeakPolarHBondContact OG-CB 3.46Å; S721-D724 PolarHBondContact OG-N 2.98Å; S721-D724 PolarHBondContact OG-OD2 2.87Å; S721-N725 PolarHBondContact O-N 3.19Å
722	K	91.4	Very high	94.5	Very high	138 Å²	138	39.6 Å²	39.6	60%	0.6	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.7	-179	-176.7	172.6	179.8	174.7	0	114.1	D618 N725 T728	D618-K722 HydrophobicContact CB-CB 3.99Å; D618-K722 PolarHBondContact OD2-N 3.44Å; K722-N725 PolarHBondContact O-ND2 2.63Å; K722-T728 PolarHBondContact O-OG1 2.9Å
723	N	92.8	Very high	94.9	Very high	115 Å²	115	41.1 Å²	41.1	62%	0.615	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-12.6	-178.1	-63.8	-33.9	0	0	0	113.2	S721	S721-N723 PolarHBondContact O-N 3.12Å; S721-N723 VanDerWaalsContact O-N 3.12Å; S721-N723 PolarHBondContact OG-N 2.96Å
724	D	92.8	Very high	95.2	Very high	54 Å²	54	41.1 Å²	41.1	29%	0.289	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-2	-173.1	-67	-40.7	0	0	0	113.8	G524 S721	G524-D724 PolarHBondContact N-O 3.43Å; S721-D724 PolarHBondContact O-N 3.13Å; S721-D724 VanDerWaalsContact O-N 3.16Å; S721-D724 WeakPolarHBondContact OG-CB 3.46Å; S721-D724 PolarHBondContact OG-N 2.98Å; S721-D724 PolarHBondContact OG-OD2 2.87Å
725	N	93	Very high	95.3	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-71.6	153.2	179.9	68.5	82.6	0	0	0	112.2	M619 T720 S721 K722 F727 T728 M729	M619-N725 HydrophobicContact CB-CB 4.15Å; M619-N725 HydrophobicContact CG-CB 4.15Å; T720-N725 WeakPolarHBondContact OG1-CA 3.43Å; T720-N725 VanDerWaalsContact OG1-CB 3.24Å; T720-N725 WeakPolarHBondContact OG1-CB 3.25Å; S721-N725 PolarHBondContact O-N 3.19Å; K722-N725 PolarHBondContact O-ND2 2.63Å; N725-F727 VanDerWaalsContact C-N 3.29Å; N725-F727 PolarHBondContact O-N 2.87Å; N725-F727 WeakPolarHBondContact OD1-CB 3.25Å; N725-F727 PolarHBondContact OD1-N 3.47Å; N725-T728 PolarHBondContact ND2-OG1 3.41Å; N725-T728 PolarHBondContact O-N 2.94Å; N725-T728 VanDerWaalsContact O-N 3.17Å; N725-T728 WeakPolarHBondContact OD1-CB 3.37Å; N725-T728 PolarHBondContact OD1-N 3.4Å; N725-T728 PolarHBondContact OD1-OG1 3.4Å; N725-M729 WeakPolarHBondContact O-CB 3.35Å; N725-M729 WeakPolarHBondContact O-CG 3.23Å; N725-M729 PolarHBondContact O-N 3.17Å
726	G	91.7	Very high	95.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-37.3	-177.1	0	0	0	0	0	114.4	N730	G726-N730 VanDerWaalsContact O-CB 3.28Å; G726-N730 WeakPolarHBondContact O-CB 3.18Å; G726-N730 PolarHBondContact O-N 2.95Å; G726-N730 VanDerWaalsContact O-N 3.09Å; G726-N730 PolarHBondContact O-ND2 2.85Å; G726-N730 VanDerWaalsContact O-ND2 3.11Å
727	F	94.7	Very high	95.3	Very high	44 Å²	44	48.8 Å²	48.8	19%	0.193	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-46.4	177.9	-175.1	-101.7	0	0	0	112.1	W478 N725 N730 K731 L734 E735 L738	W478-F727 AromaticContact CH2-CD2 3.44Å; W478-F727 HydrophobicContact CH2-CD2 3.44Å; W478-F727 VanDerWaalsContact CH2-CD2 3.44Å; W478-F727 AromaticContact CH2-CE2 3.46Å; W478-F727 HydrophobicContact CH2-CE2 3.46Å; W478-F727 VanDerWaalsContact CH2-CE2 3.46Å; W478-F727 AromaticContact CZ2-CD2 3.36Å; W478-F727 HydrophobicContact CZ2-CD2 3.36Å; W478-F727 AromaticContact CZ2-CE2 3.92Å; W478-F727 HydrophobicContact CZ2-CE2 3.92Å; W478-F727 HydrophobicContact CZ2-CG 4.34Å; W478-F727 HydrophobicContact CZ3-CD2 4.47Å; W478-F727 HydrophobicContact CZ3-CE2 4.28Å; N725-F727 VanDerWaalsContact C-N 3.29Å; N725-F727 PolarHBondContact O-N 2.87Å; N725-F727 WeakPolarHBondContact OD1-CB 3.25Å; N725-F727 PolarHBondContact OD1-N 3.47Å; F727-N730 CarbonylContact O-C 3.45Å; F727-N730 VanDerWaalsContact O-C 3.32Å; F727-N730 PolarHBondContact O-N 3.28Å; F727-K731 HydrophobicContact CE1-CG 4.34Å; F727-K731 WeakPolarHBondContact O-CA 3.21Å; F727-K731 WeakPolarHBondContact O-CB 3.32Å; F727-K731 PolarHBondContact O-N 3.19Å; F727-L734 HydrophobicContact CD2-CB 3.9Å; F727-L734 HydrophobicContact CD2-CD1 4.18Å; F727-L734 HydrophobicContact CE2-CB 3.96Å; F727-E735 HydrophobicContact CZ-CB 4.35Å; F727-L738 HydrophobicContact CE2-CD1 4.21Å; F727-L738 HydrophobicContact CZ-CD1 4.01Å
728	T	95.1	Very high	95.3	Very high	62 Å²	62	49.3 Å²	49.3	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-67.6	-44	-177.9	-58.6	0	0	0	0	111.1	K722 N725 N730 K731	K722-T728 PolarHBondContact O-OG1 2.9Å; N725-T728 PolarHBondContact ND2-OG1 3.41Å; N725-T728 PolarHBondContact O-N 2.94Å; N725-T728 VanDerWaalsContact O-N 3.17Å; N725-T728 WeakPolarHBondContact OD1-CB 3.37Å; N725-T728 PolarHBondContact OD1-N 3.4Å; N725-T728 PolarHBondContact OD1-OG1 3.4Å; T728-N730 PolarHBondContact O-N 3.17Å; T728-K731 PolarHBondContact O-N 3.02Å
729	M	95.2	Very high	95.3	Very high	71 Å²	71	48.9 Å²	48.9	35%	0.35	25%	0.253	S	S	.	.	H	α-helix	trans	-65.4	-25.5	177.7	-68	-64.4	-73.8	0	0	113.3	N521 L522 N725	N521-M729 PolarHBondContact ND2-O 2.82Å; L522-M729 WeakPolarHBondContact O-CE 3.45Å; N725-M729 WeakPolarHBondContact O-CB 3.35Å; N725-M729 WeakPolarHBondContact O-CG 3.23Å; N725-M729 PolarHBondContact O-N 3.17Å
730	N	97.3	Very high	95.4	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	27.1	-177.4	-63.8	-82.4	0	0	0	112.5	W520 N521 G726 F727 T728 N732 L733 L734	W520-N730 HydrophobicContact CE3-CB 4.21Å; W520-N730 HydrophobicContact CH2-CB 4.29Å; W520-N730 WeakPolarHBondContact CZ2-ND2 3.43Å; W520-N730 HydrophobicContact CZ3-CB 3.91Å; N521-N730 WeakPolarHBondContact CB-OD1 3.32Å; N521-N730 PolarHBondContact N-OD1 3.25Å; N521-N730 PolarHBondContact O-ND2 3.37Å; G726-N730 VanDerWaalsContact O-CB 3.28Å; G726-N730 WeakPolarHBondContact O-CB 3.18Å; G726-N730 PolarHBondContact O-N 2.95Å; G726-N730 VanDerWaalsContact O-N 3.09Å; G726-N730 PolarHBondContact O-ND2 2.85Å; G726-N730 VanDerWaalsContact O-ND2 3.11Å; F727-N730 CarbonylContact O-C 3.45Å; F727-N730 VanDerWaalsContact O-C 3.32Å; F727-N730 PolarHBondContact O-N 3.28Å; T728-N730 PolarHBondContact O-N 3.17Å; N730-N732 PolarHBondContact O-N 3.31Å; N730-L733 HydrophobicContact CB-CB 4.36Å; N730-L733 WeakPolarHBondContact O-CA 3.38Å; N730-L733 WeakPolarHBondContact O-CB 3.47Å; N730-L733 PolarHBondContact O-N 3.41Å; N730-L734 HydrophobicContact CB-CD1 3.85Å; N730-L734 HydrophobicContact CB-CG 4.03Å; N730-L734 WeakPolarHBondContact O-CG 3.45Å; N730-L734 PolarHBondContact O-N 3.11Å
731	K	96.2	Very high	95.5	Very high	94 Å²	94	53.5 Å²	53.5	41%	0.409	28%	0.281	S	S	.	.	H	α-helix	trans	-54.9	-48.4	-170	-176	177.4	175.7	179.6	0	112.9	F727 T728 L733 L734 E735	F727-K731 HydrophobicContact CE1-CG 4.34Å; F727-K731 WeakPolarHBondContact O-CA 3.21Å; F727-K731 WeakPolarHBondContact O-CB 3.32Å; F727-K731 PolarHBondContact O-N 3.19Å; T728-K731 PolarHBondContact O-N 3.02Å; K731-L733 PolarHBondContact O-N 3.21Å; K731-L733 VanDerWaalsContact O-N 3.16Å; K731-L734 PolarHBondContact O-N 2.99Å; K731-L734 VanDerWaalsContact O-N 3.15Å; K731-E735 WeakPolarHBondContact CE-OE1 3.12Å; K731-E735 WeakPolarHBondContact CE-OE2 3.2Å; K731-E735 HydrophobicContact CG-CB 4.27Å; K731-E735 IonicContact NZ-OE1 3.48Å; K731-E735 PolarHBondContact NZ-OE1 3.23Å; K731-E735 WeakPolarHBondContact O-CB 3.32Å; K731-E735 PolarHBondContact O-N 2.96Å
732	N	96.8	Very high	95.7	Very high	148 Å²	148	52.2 Å²	52.2	79%	0.791	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-24.8	-180	-64.3	-19.8	0	0	0	113.2	N730	N730-N732 PolarHBondContact O-N 3.31Å
733	L	97	Very high	96	Very high	40 Å²	40	50.9 Å²	50.9	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-84.4	-36	177.7	-177	64.6	0	0	0	111.7	L516 K519 W520 N730 K731	L516-L733 HydrophobicContact CD2-CD1 3.95Å; L516-L733 HydrophobicContact CD2-CD2 3.74Å; L516-L733 HydrophobicContact CD2-CG 3.61Å; K519-L733 HydrophobicContact CB-CD1 4.16Å; K519-L733 HydrophobicContact CB-CD2 4.06Å; K519-L733 HydrophobicContact CD-CD1 4.09Å; W520-L733 HydrophobicContact CE3-CD2 4.24Å; N730-L733 HydrophobicContact CB-CB 4.36Å; N730-L733 WeakPolarHBondContact O-CA 3.38Å; N730-L733 WeakPolarHBondContact O-CB 3.47Å; N730-L733 PolarHBondContact O-N 3.41Å; K731-L733 PolarHBondContact O-N 3.21Å; K731-L733 VanDerWaalsContact O-N 3.16Å
734	L	97.6	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-101.5	-33.1	-168.2	-63	179.9	0	0	0	114.6	W478 L516 W520 F727 N730 K731 P736 L737	W478-L734 HydrophobicContact CB-CD2 3.8Å; W478-L734 HydrophobicContact CD2-CB 4.17Å; W478-L734 HydrophobicContact CD2-CD1 4.09Å; W478-L734 HydrophobicContact CD2-CD2 3.68Å; W478-L734 HydrophobicContact CD2-CG 4.19Å; W478-L734 HydrophobicContact CE3-CB 4.06Å; W478-L734 HydrophobicContact CE3-CD2 4.05Å; W478-L734 HydrophobicContact CG-CD1 4.25Å; W478-L734 HydrophobicContact CG-CD2 3.53Å; W478-L734 HydrophobicContact CG-CG 4.39Å; W478-L734 HydrophobicContact CH2-CB 4.26Å; W478-L734 HydrophobicContact CZ2-CB 4.37Å; W478-L734 HydrophobicContact CZ2-CD1 4.24Å; W478-L734 HydrophobicContact CZ3-CB 4.09Å; L516-L734 HydrophobicContact CD2-CD2 4.01Å; W520-L734 HydrophobicContact CH2-CD1 4Å; W520-L734 HydrophobicContact CZ3-CD1 3.89Å; W520-L734 HydrophobicContact CZ3-CD2 4.19Å; W520-L734 HydrophobicContact CZ3-CG 4.34Å; F727-L734 HydrophobicContact CD2-CB 3.9Å; F727-L734 HydrophobicContact CD2-CD1 4.18Å; F727-L734 HydrophobicContact CE2-CB 3.96Å; N730-L734 HydrophobicContact CB-CD1 3.85Å; N730-L734 HydrophobicContact CB-CG 4.03Å; N730-L734 WeakPolarHBondContact O-CG 3.45Å; N730-L734 PolarHBondContact O-N 3.11Å; K731-L734 PolarHBondContact O-N 2.99Å; K731-L734 VanDerWaalsContact O-N 3.15Å; L734-P736 VanDerWaalsContact C-CD 3.42Å; L734-P736 VanDerWaalsContact C-N 3.31Å; L734-L737 HydrophobicContact CD2-CD1 4.03Å; L734-L737 WeakPolarHBondContact O-CA 3.35Å; L734-L737 VanDerWaalsContact O-CB 3.32Å; L734-L737 WeakPolarHBondContact O-CB 3.41Å; L734-L737 PolarHBondContact O-N 2.93Å
735	E	95.8	Very high	96.5	Very high	83 Å²	83	46.7 Å²	46.7	39%	0.388	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-55.6	-37.8	178.7	-174.3	172	-134	0	0	113.2	F727 K731 L737 L738	F727-E735 HydrophobicContact CZ-CB 4.35Å; K731-E735 WeakPolarHBondContact CE-OE1 3.12Å; K731-E735 WeakPolarHBondContact CE-OE2 3.2Å; K731-E735 HydrophobicContact CG-CB 4.27Å; K731-E735 IonicContact NZ-OE1 3.48Å; K731-E735 PolarHBondContact NZ-OE1 3.23Å; K731-E735 WeakPolarHBondContact O-CB 3.32Å; K731-E735 PolarHBondContact O-N 2.96Å; E735-L737 PolarHBondContact O-N 3.17Å; E735-L738 PolarHBondContact O-N 2.82Å
736	P	95.7	Very high	96.6	Very high	88 Å²	88	48.9 Å²	48.9	57%	0.571	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.1	173.6	-23.4	35.8	0	0	0	114.9	L734	L734-P736 VanDerWaalsContact C-CD 3.42Å; L734-P736 VanDerWaalsContact C-N 3.31Å
737	L	96.8	Very high	96.9	Very high	35 Å²	35	52.6 Å²	52.6	18%	0.183	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-87.7	-11.8	-179.6	-51.8	-178.1	0	0	0	113	W478 L516 L734 E735 T739 L769	W478-L737 HydrophobicContact CB-CD1 4.22Å; W478-L737 HydrophobicContact CE3-CB 4.07Å; W478-L737 HydrophobicContact CE3-CD1 4.3Å; W478-L737 HydrophobicContact CZ3-CB 4.41Å; L516-L737 HydrophobicContact CD1-CD1 4.32Å; L516-L737 HydrophobicContact CD2-CD1 4.08Å; L734-L737 HydrophobicContact CD2-CD1 4.03Å; L734-L737 WeakPolarHBondContact O-CA 3.35Å; L734-L737 VanDerWaalsContact O-CB 3.32Å; L734-L737 WeakPolarHBondContact O-CB 3.41Å; L734-L737 PolarHBondContact O-N 2.93Å; E735-L737 PolarHBondContact O-N 3.17Å; L737-T739 PolarHBondContact O-N 3.39Å; L737-L769 HydrophobicContact CD2-CD2 3.64Å; L737-L769 HydrophobicContact CD2-CG 4.43Å
738	L	97	Very high	97	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.058	31%	0.305	C	S	.	.			trans	-65.7	124.1	177.1	-73.3	170	0	0	0	110.4	W478 F727 E735 K743 L746	W478-L738 HydrophobicContact CH2-CD2 3.75Å; W478-L738 HydrophobicContact CH2-CG 4.2Å; W478-L738 HydrophobicContact CZ3-CD2 3.85Å; W478-L738 HydrophobicContact CZ3-CG 4.06Å; F727-L738 HydrophobicContact CE2-CD1 4.21Å; F727-L738 HydrophobicContact CZ-CD1 4.01Å; E735-L738 PolarHBondContact O-N 2.82Å; L738-K743 HydrophobicContact CB-CG 3.76Å; L738-K743 HydrophobicContact CD1-CG 4.41Å; L738-K743 WeakPolarHBondContact O-CE 3.44Å; L738-K743 PolarHBondContact O-NZ 2.79Å; L738-L746 HydrophobicContact CD1-CD2 3.77Å
739	T	98	Very high	97	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.031	31%	0.311	C	S	.	.			trans	-74.4	169.7	174.3	68.2	0	0	0	0	111.6	F498 L737 V741 G742 K743 T762 E765 Q766	F498-T739 HydrophobicContact CE2-CG2 4.1Å; F498-T739 VanDerWaalsContact CE2-OG1 3.28Å; F498-T739 WeakPolarHBondContact CE2-OG1 3.41Å; F498-T739 WeakPolarHBondContact CZ-OG1 3.4Å; L737-T739 PolarHBondContact O-N 3.39Å; T739-V741 VanDerWaalsContact C-N 3.31Å; T739-V741 PolarHBondContact O-N 3.25Å; T739-G742 PolarHBondContact O-N 2.93Å; T739-G742 PolarHBondContact OG1-N 3.09Å; T739-K743 WeakPolarHBondContact O-CG 3.42Å; T739-K743 PolarHBondContact O-N 2.6Å; T739-T762 HydrophobicContact CG2-CG2 3.92Å; T739-E765 WeakPolarHBondContact CA-OE2 3.17Å; T739-E765 WeakPolarHBondContact CB-OE2 3.34Å; T739-E765 HydrophobicContact CG2-CB 4.2Å; T739-Q766 HydrophobicContact CG2-CG 3.85Å
740	T	98.2	Very high	97.1	Very high	83 Å²	83	55.5 Å²	55.5	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-55.4	-45.5	176.7	-52.4	0	0	0	0	112.4	T744 E765	T740-T744 PolarHBondContact O-N 3.38Å; T740-T744 VanDerWaalsContact O-N 3.17Å; T740-T744 PolarHBondContact O-OG1 2.85Å; T740-E765 VanDerWaalsContact CB-OE1 3.28Å; T740-E765 WeakPolarHBondContact CB-OE1 3.49Å; T740-E765 PolarHBondContact N-OE1 2.9Å; T740-E765 PolarHBondContact N-OE2 3.01Å; T740-E765 PolarHBondContact OG1-OE1 3.05Å; T740-E765 PolarHBondContact OG1-OE2 3.23Å
741	V	98.2	Very high	97	Very high	14 Å²	14	55.3 Å²	55.3	9%	0.085	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-45.1	176.6	177.6	0	0	0	0	110.4	V492 F498 T739 K743 T744 A745 E758	V492-V741 HydrophobicContact CB-CG1 4.3Å; V492-V741 HydrophobicContact CG1-CG1 4.03Å; V492-V741 HydrophobicContact CG2-CG1 4.47Å; F498-V741 HydrophobicContact CE1-CB 4.17Å; F498-V741 HydrophobicContact CE1-CG1 3.87Å; F498-V741 HydrophobicContact CZ-CB 4.07Å; F498-V741 HydrophobicContact CZ-CG1 4.22Å; T739-V741 VanDerWaalsContact C-N 3.31Å; T739-V741 PolarHBondContact O-N 3.25Å; V741-K743 PolarHBondContact O-N 2.89Å; V741-T744 WeakPolarHBondContact O-CB 3.48Å; V741-T744 PolarHBondContact O-N 3.34Å; V741-T744 VanDerWaalsContact O-N 3.16Å; V741-A745 PolarHBondContact O-N 2.92Å; V741-E758 HydrophobicContact CG2-CB 3.92Å; V741-E758 HydrophobicContact CG2-CG 4.01Å
742	G	98.1	Very high	97.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-43	179	0	0	0	0	0	113	G496 T739 T744 A745 L746	G496-G742 VanDerWaalsContact CA-O 3.23Å; G496-G742 WeakPolarHBondContact CA-O 3.34Å; G496-G742 WeakPolarHBondContact O-CA 3.32Å; T739-G742 PolarHBondContact O-N 2.93Å; T739-G742 PolarHBondContact OG1-N 3.09Å; G742-T744 VanDerWaalsContact C-N 3.31Å; G742-T744 PolarHBondContact O-N 2.92Å; G742-A745 PolarHBondContact O-N 2.89Å; G742-L746 VanDerWaalsContact O-CB 3.3Å; G742-L746 WeakPolarHBondContact O-CB 3.31Å; G742-L746 PolarHBondContact O-N 2.81Å
743	K	98.1	Very high	97.1	Very high	110 Å²	110	53 Å²	53	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-40.8	174.7	-72.4	171.7	-177.8	154.5	0	112	L738 T739 V741 A747	L738-K743 HydrophobicContact CB-CG 3.76Å; L738-K743 HydrophobicContact CD1-CG 4.41Å; L738-K743 WeakPolarHBondContact O-CE 3.44Å; L738-K743 PolarHBondContact O-NZ 2.79Å; T739-K743 WeakPolarHBondContact O-CG 3.42Å; T739-K743 PolarHBondContact O-N 2.6Å; V741-K743 PolarHBondContact O-N 2.89Å; K743-A747 WeakPolarHBondContact O-CB 3.31Å; K743-A747 PolarHBondContact O-N 2.86Å
744	T	98	Very high	97.2	Very high	81 Å²	81	51.4 Å²	51.4	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-49.1	179.9	-56.1	0	0	0	0	110.8	T740 V741 G742 L746 A747 T748	T740-T744 PolarHBondContact O-N 3.38Å; T740-T744 VanDerWaalsContact O-N 3.17Å; T740-T744 PolarHBondContact O-OG1 2.85Å; V741-T744 WeakPolarHBondContact O-CB 3.48Å; V741-T744 PolarHBondContact O-N 3.34Å; V741-T744 VanDerWaalsContact O-N 3.16Å; G742-T744 VanDerWaalsContact C-N 3.31Å; G742-T744 PolarHBondContact O-N 2.92Å; T744-L746 PolarHBondContact O-N 2.85Å; T744-A747 PolarHBondContact O-N 2.83Å; T744-T748 WeakPolarHBondContact O-CG2 3.44Å; T744-T748 PolarHBondContact O-N 3.22Å; T744-T748 PolarHBondContact O-OG1 3.35Å; T744-T748 VanDerWaalsContact O-OG1 3.13Å
745	A	97.6	Very high	97.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-41	178.2	0	0	0	0	0	112.6	V492 N493 V741 G742 A747 T748 H749 S750	V492-A745 HydrophobicContact CB-CB 4.43Å; V492-A745 HydrophobicContact CG1-CB 3.93Å; V492-A745 HydrophobicContact CG2-CB 3.61Å; N493-A745 WeakPolarHBondContact O-CB 3.44Å; V741-A745 PolarHBondContact O-N 2.92Å; G742-A745 PolarHBondContact O-N 2.89Å; A745-A747 VanDerWaalsContact C-N 3.35Å; A745-A747 PolarHBondContact O-N 3.26Å; A745-T748 PolarHBondContact O-N 3.22Å; A745-T748 PolarHBondContact O-OG1 3.32Å; A745-H749 WeakPolarHBondContact O-CA 3.33Å; A745-H749 PolarHBondContact O-N 3.35Å; A745-S750 WeakPolarHBondContact CB-O 3.18Å; A745-S750 PolarHBondContact O-N 3.31Å
746	L	96.1	Very high	97.2	Very high	53 Å²	53	56.8 Å²	56.8	28%	0.277	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-39.2	174.9	-179.2	63.7	0	0	0	112.2	L738 G742 T744	L738-L746 HydrophobicContact CD1-CD2 3.77Å; G742-L746 VanDerWaalsContact O-CB 3.3Å; G742-L746 WeakPolarHBondContact O-CB 3.31Å; G742-L746 PolarHBondContact O-N 2.81Å; T744-L746 PolarHBondContact O-N 2.85Å
747	A	96.8	Very high	97.1	Very high	78 Å²	78	57.8 Å²	57.8	65%	0.645	32%	0.32	S	S	*	.	H	α-helix	trans	-70.8	-36.3	178.8	0	0	0	0	0	112.7	K743 T744 A745	K743-A747 WeakPolarHBondContact O-CB 3.31Å; K743-A747 PolarHBondContact O-N 2.86Å; T744-A747 PolarHBondContact O-N 2.83Å; A745-A747 VanDerWaalsContact C-N 3.35Å; A745-A747 PolarHBondContact O-N 3.26Å
748	T	96.6	Very high	97.1	Very high	85 Å²	85	58.3 Å²	58.3	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-85.5	-11.9	179	59.6	0	0	0	0	113.3	T744 A745 S750	T744-T748 WeakPolarHBondContact O-CG2 3.44Å; T744-T748 PolarHBondContact O-N 3.22Å; T744-T748 PolarHBondContact O-OG1 3.35Å; T744-T748 VanDerWaalsContact O-OG1 3.13Å; A745-T748 PolarHBondContact O-N 3.22Å; A745-T748 PolarHBondContact O-OG1 3.32Å; T748-S750 PolarHBondContact O-N 3.28Å
749	H	95.5	Very high	97.1	Very high	106 Å²	106	58 Å²	58	49%	0.491	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	38.2	-170.3	-54.5	87.3	0	0	0	112.3	S645 A745	S645-H749 WeakPolarHBondContact CB-O 3.31Å; A745-H749 WeakPolarHBondContact O-CA 3.33Å; A745-H749 PolarHBondContact O-N 3.35Å
750	S	97.3	Very high	97	Very high	46 Å²	46	61 Å²	61	32%	0.322	33%	0.333	S	S	.	.			trans	-134.1	129.8	-176.2	-173.5	0	0	0	0	110.6	S645 A745 T748	S645-S750 CarbonylContact O-C 3.07Å; S645-S750 WeakPolarHBondContact O-CA 3.45Å; A745-S750 WeakPolarHBondContact CB-O 3.18Å; A745-S750 PolarHBondContact O-N 3.31Å; T748-S750 PolarHBondContact O-N 3.28Å
751	G	96.6	Very high	96.8	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.01	33%	0.325	C	S	.	.			trans	-90	157.2	168.8	0	0	0	0	0	112.8	V492 S645	V492-G751 CarbonylContact O-C 3.42Å; V492-G751 WeakPolarHBondContact O-CA 3.09Å; S645-G751 PolarHBondContact O-N 2.81Å
752	H	97.5	Very high	96.7	Very high	68 Å²	68	59.5 Å²	59.5	32%	0.315	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	161.4	176.2	63.2	-82.1	0	0	0	111.7	L491 V492 E758	L491-H752 CarbonylContact C-O 3.56Å; L491-H752 VanDerWaalsContact CA-O 3.29Å; L491-H752 WeakPolarHBondContact CA-O 3.42Å; L491-H752 WeakPolarHBondContact CB-O 3.44Å; V492-H752 WeakPolarHBondContact CG1-CE1 3.4Å; V492-H752 WeakPolarHBondContact CG1-ND1 3.27Å; V492-H752 PolarHBondContact N-O 3.34Å; V492-H752 PolarHBondContact O-N 2.86Å; H752-E758 IonicContact CD2-OE1 3.76Å; H752-E758 IonicContact CD2-OE2 3.71Å; H752-E758 IonicContact CE1-OE1 2.88Å; H752-E758 IonicContact NE2-OE1 3.4Å; H752-E758 PolarHBondContact NE2-OE1 3.35Å; H752-E758 IonicContact NE2-OE2 3.46Å; H752-E758 PolarHBondContact NE2-OE2 3.27Å
753	E	97.8	Very high	96.7	Very high	124 Å²	124	60 Å²	60	58%	0.579	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.6	168	-172	-178.3	179.8	0	0	109.9	Q755	E753-Q755 PolarHBondContact O-NE2 3.05Å
754	L	98.3	Very high	96.5	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.037	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-69.3	136.9	-177.5	-78.8	71.8	0	0	0	110.7	I482 W490 V492 F498 E758 I759	I482-L754 HydrophobicContact CD1-CD2 4.41Å; W490-L754 HydrophobicContact CB-CB 4.3Å; W490-L754 HydrophobicContact CB-CD1 4.19Å; W490-L754 HydrophobicContact CB-CD2 4.22Å; W490-L754 HydrophobicContact CB-CG 4.49Å; W490-L754 WeakPolarHBondContact O-CD1 3.48Å; W490-L754 PolarHBondContact O-N 3.31Å; V492-L754 HydrophobicContact CB-CD1 3.9Å; V492-L754 HydrophobicContact CG1-CD1 4.14Å; F498-L754 HydrophobicContact CD1-CD1 4.1Å; F498-L754 HydrophobicContact CD1-CD2 3.89Å; F498-L754 HydrophobicContact CE1-CD1 4.33Å; F498-L754 HydrophobicContact CE1-CD2 3.86Å; L754-E758 WeakPolarHBondContact CA-OE2 3.21Å; L754-E758 HydrophobicContact CB-CB 4.08Å; L754-E758 HydrophobicContact CD2-CB 4.24Å; L754-E758 HydrophobicContact CG-CB 4.11Å; L754-I759 HydrophobicContact CB-CD1 4.29Å; L754-I759 HydrophobicContact CB-CG1 3.59Å; L754-I759 HydrophobicContact CD2-CG1 4.02Å; L754-I759 HydrophobicContact CG-CG1 4.47Å
755	Q	97.1	Very high	96.4	Very high	125 Å²	125	55.3 Å²	55.3	58%	0.584	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-75	158	166.5	-56.6	-53.4	-56.5	0	0	110.8	E753 E757 E758 I759	E753-Q755 PolarHBondContact O-NE2 3.05Å; Q755-E757 PolarHBondContact O-N 2.06Å; Q755-E757 VanDerWaalsContact O-N 3.08Å; Q755-E758 HydrophobicContact CB-CG 4.45Å; Q755-E758 PolarHBondContact N-OE2 3Å; Q755-E758 WeakPolarHBondContact O-CA 3.18Å; Q755-E758 WeakPolarHBondContact O-CB 3.49Å; Q755-E758 PolarHBondContact O-N 3.29Å; Q755-I759 WeakPolarHBondContact O-CG1 3.34Å; Q755-I759 PolarHBondContact O-N 3.31Å
756	A	95.1	Very high	96.4	Very high	71 Å²	71	56 Å²	56	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-52.5	-38	-177.5	0	0	0	0	0	113.6	I759 K760	A756-I759 PolarHBondContact O-N 3.49Å; A756-K760 WeakPolarHBondContact O-CB 3.33Å; A756-K760 PolarHBondContact O-N 3.38Å
757	E	94.6	Very high	96.4	Very high	109 Å²	109	54 Å²	54	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-70.6	-35.8	177.6	-170.4	56.9	-152.2	0	0	112.5	Q755 N761	Q755-E757 PolarHBondContact O-N 2.06Å; Q755-E757 VanDerWaalsContact O-N 3.08Å; E757-N761 WeakPolarHBondContact O-CB 3.35Å; E757-N761 VanDerWaalsContact O-CG 3.29Å; E757-N761 PolarHBondContact O-N 3.37Å; E757-N761 PolarHBondContact O-ND2 3.4Å; E757-N761 PolarHBondContact OE1-ND2 2.94Å; E757-N761 PolarHBondContact OE1-OD1 3.01Å
758	E	97.3	Very high	96.3	Very high	47 Å²	47	53.3 Å²	53.3	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-40.7	174.3	-67.9	179.2	114.4	0	0	111.4	V741 H752 L754 Q755 T762	V741-E758 HydrophobicContact CG2-CB 3.92Å; V741-E758 HydrophobicContact CG2-CG 4.01Å; H752-E758 IonicContact CD2-OE1 3.76Å; H752-E758 IonicContact CD2-OE2 3.71Å; H752-E758 IonicContact CE1-OE1 2.88Å; H752-E758 IonicContact NE2-OE1 3.4Å; H752-E758 PolarHBondContact NE2-OE1 3.35Å; H752-E758 IonicContact NE2-OE2 3.46Å; H752-E758 PolarHBondContact NE2-OE2 3.27Å; L754-E758 WeakPolarHBondContact CA-OE2 3.21Å; L754-E758 HydrophobicContact CB-CB 4.08Å; L754-E758 HydrophobicContact CD2-CB 4.24Å; L754-E758 HydrophobicContact CG-CB 4.11Å; Q755-E758 HydrophobicContact CB-CG 4.45Å; Q755-E758 PolarHBondContact N-OE2 3Å; Q755-E758 WeakPolarHBondContact O-CA 3.18Å; Q755-E758 WeakPolarHBondContact O-CB 3.49Å; Q755-E758 PolarHBondContact O-N 3.29Å; E758-T762 WeakPolarHBondContact O-CB 3.16Å; E758-T762 PolarHBondContact O-N 3.01Å; E758-T762 PolarHBondContact O-OG1 2.89Å
759	I	97	Very high	96.3	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-51.7	176.4	-60.2	171.2	0	0	0	109.7	I482 D487 W490 L754 Q755 A756 N761 T762 F763	I482-I759 HydrophobicContact CG2-CG2 4.31Å; D487-I759 WeakPolarHBondContact O-CD1 3.5Å; W490-I759 HydrophobicContact CB-CD1 4.43Å; W490-I759 HydrophobicContact CB-CG1 4.29Å; L754-I759 HydrophobicContact CB-CD1 4.29Å; L754-I759 HydrophobicContact CB-CG1 3.59Å; L754-I759 HydrophobicContact CD2-CG1 4.02Å; L754-I759 HydrophobicContact CG-CG1 4.47Å; Q755-I759 WeakPolarHBondContact O-CG1 3.34Å; Q755-I759 PolarHBondContact O-N 3.31Å; A756-I759 PolarHBondContact O-N 3.49Å; I759-N761 PolarHBondContact O-N 3.49Å; I759-T762 PolarHBondContact O-N 3.35Å; I759-F763 WeakPolarHBondContact O-CB 3.38Å; I759-F763 PolarHBondContact O-N 3.43Å
760	K	94.5	Very high	96.3	Very high	69 Å²	69	47.4 Å²	47.4	30%	0.3	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-48.1	-179.8	-176.6	-177.9	177.5	-174.2	0	112.2	P485 A756 F763 I764	P485-K760 HydrophobicContact CB-CG 4.43Å; A756-K760 WeakPolarHBondContact O-CB 3.33Å; A756-K760 PolarHBondContact O-N 3.38Å; K760-F763 WeakPolarHBondContact O-CB 3.39Å; K760-F763 PolarHBondContact O-N 2.94Å; K760-I764 HydrophobicContact CG-CD1 4.25Å; K760-I764 WeakPolarHBondContact O-CG1 3.3Å; K760-I764 PolarHBondContact O-N 3.45Å; K760-I764 VanDerWaalsContact O-N 3.07Å
761	N	94.9	Very high	96.3	Very high	64 Å²	64	45.9 Å²	45.9	34%	0.342	23%	0.232	S	C	.	.	H	α-helix	trans	-67.4	-41.3	-179.4	-71	-34	0	0	0	111.8	E757 I759 F763 I764 E765	E757-N761 WeakPolarHBondContact O-CB 3.35Å; E757-N761 VanDerWaalsContact O-CG 3.29Å; E757-N761 PolarHBondContact O-N 3.37Å; E757-N761 PolarHBondContact O-ND2 3.4Å; E757-N761 PolarHBondContact OE1-ND2 2.94Å; E757-N761 PolarHBondContact OE1-OD1 3.01Å; I759-N761 PolarHBondContact O-N 3.49Å; N761-F763 VanDerWaalsContact C-N 3.35Å; N761-F763 PolarHBondContact O-N 3.09Å; N761-I764 PolarHBondContact O-N 2.94Å; N761-E765 WeakPolarHBondContact O-CG 3.45Å; N761-E765 PolarHBondContact O-N 3.35Å
762	T	97.1	Very high	96.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-41.9	175.5	-58.4	0	0	0	0	111.6	I482 F498 T739 E758 I759 E765 Q766	I482-T762 HydrophobicContact CD1-CG2 3.54Å; I482-T762 HydrophobicContact CG1-CG2 4.33Å; F498-T762 HydrophobicContact CD1-CG2 4.32Å; F498-T762 HydrophobicContact CD2-CG2 4.03Å; F498-T762 HydrophobicContact CE1-CG2 3.94Å; F498-T762 HydrophobicContact CE2-CG2 3.63Å; F498-T762 HydrophobicContact CG-CG2 4.37Å; F498-T762 HydrophobicContact CZ-CG2 3.6Å; T739-T762 HydrophobicContact CG2-CG2 3.92Å; E758-T762 WeakPolarHBondContact O-CB 3.16Å; E758-T762 PolarHBondContact O-N 3.01Å; E758-T762 PolarHBondContact O-OG1 2.89Å; I759-T762 PolarHBondContact O-N 3.35Å; T762-E765 PolarHBondContact O-N 3.28Å; T762-Q766 HydrophobicContact CG2-CG 4.4Å; T762-Q766 WeakPolarHBondContact O-CB 2.99Å; T762-Q766 WeakPolarHBondContact O-CG 3.39Å; T762-Q766 PolarHBondContact O-N 2.57Å
763	F	96.1	Very high	96.2	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.053	26%	0.255	C	S	.	.	H	α-helix	trans	-57	-49.5	174	169.2	-90.6	0	0	0	111.5	L180 I482 P483 P485 I759 K760 N761 Q766 R767	L180-F763 HydrophobicContact CD1-CZ 4.31Å; L180-F763 HydrophobicContact CD2-CZ 4.48Å; I482-F763 HydrophobicContact CG2-CB 4.34Å; I482-F763 VanDerWaalsContact O-CD2 3.24Å; I482-F763 WeakPolarHBondContact O-CD2 3.23Å; P483-F763 WeakPolarHBondContact O-CE2 3.4Å; P485-F763 HydrophobicContact CB-CB 4.21Å; P485-F763 HydrophobicContact CB-CD1 3.7Å; P485-F763 HydrophobicContact CB-CD2 4.45Å; P485-F763 HydrophobicContact CB-CE1 4.18Å; P485-F763 HydrophobicContact CB-CG 3.86Å; P485-F763 HydrophobicContact CG-CD1 4.24Å; P485-F763 HydrophobicContact CG-CE1 4.21Å; I759-F763 WeakPolarHBondContact O-CB 3.38Å; I759-F763 PolarHBondContact O-N 3.43Å; K760-F763 WeakPolarHBondContact O-CB 3.39Å; K760-F763 PolarHBondContact O-N 2.94Å; N761-F763 VanDerWaalsContact C-N 3.35Å; N761-F763 PolarHBondContact O-N 3.09Å; F763-Q766 PolarHBondContact O-N 3.08Å; F763-R767 WeakPolarHBondContact O-CB 3.18Å; F763-R767 PolarHBondContact O-N 3.49Å
764	I	94.9	Very high	96	Very high	28 Å²	28	42.8 Å²	42.8	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-49.4	179.8	-66.2	166.4	0	0	0	110.5	T136 K760 N761 Q766 R767 D768	T136-I764 HydrophobicContact CG2-CD1 4.26Å; K760-I764 HydrophobicContact CG-CD1 4.25Å; K760-I764 WeakPolarHBondContact O-CG1 3.3Å; K760-I764 PolarHBondContact O-N 3.45Å; K760-I764 VanDerWaalsContact O-N 3.07Å; N761-I764 PolarHBondContact O-N 2.94Å; I764-Q766 PolarHBondContact O-N 3Å; I764-R767 PolarHBondContact O-N 3.05Å; I764-D768 WeakPolarHBondContact O-CB 3.43Å; I764-D768 VanDerWaalsContact O-CG 3.25Å; I764-D768 PolarHBondContact O-N 3.49Å
765	E	96.2	Very high	95.8	Very high	64 Å²	64	47 Å²	47	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-56.1	-47.7	178.7	-73.7	-176.9	-137.4	0	0	111.7	T739 T740 N761 T762 L769	T739-E765 WeakPolarHBondContact CA-OE2 3.17Å; T739-E765 WeakPolarHBondContact CB-OE2 3.34Å; T739-E765 HydrophobicContact CG2-CB 4.2Å; T740-E765 VanDerWaalsContact CB-OE1 3.28Å; T740-E765 WeakPolarHBondContact CB-OE1 3.49Å; T740-E765 PolarHBondContact N-OE1 2.9Å; T740-E765 PolarHBondContact N-OE2 3.01Å; T740-E765 PolarHBondContact OG1-OE1 3.05Å; T740-E765 PolarHBondContact OG1-OE2 3.23Å; N761-E765 WeakPolarHBondContact O-CG 3.45Å; N761-E765 PolarHBondContact O-N 3.35Å; T762-E765 PolarHBondContact O-N 3.28Å; E765-L769 WeakPolarHBondContact O-CB 3.49Å; E765-L769 PolarHBondContact O-N 3.22Å; E765-L769 VanDerWaalsContact O-N 3.08Å
766	Q	97.1	Very high	95.6	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-38.4	-178.4	-71.5	179.3	-20.8	0	0	113	R481 R512 T739 T762 F763 I764 S770	R481-Q766 HydrophobicContact CB-CB 4.12Å; R512-Q766 PolarHBondContact NH2-O 2.79Å; T739-Q766 HydrophobicContact CG2-CG 3.85Å; T762-Q766 HydrophobicContact CG2-CG 4.4Å; T762-Q766 WeakPolarHBondContact O-CB 2.99Å; T762-Q766 WeakPolarHBondContact O-CG 3.39Å; T762-Q766 PolarHBondContact O-N 2.57Å; F763-Q766 PolarHBondContact O-N 3.08Å; I764-Q766 PolarHBondContact O-N 3Å; Q766-S770 WeakPolarHBondContact O-CB 3.37Å; Q766-S770 PolarHBondContact O-N 3.37Å
767	R	95.5	Very high	95.4	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.038	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-50.8	176.6	-179.5	-164.6	73.3	-175.9	-4	110.9	D139 Y142 F763 I764 L769 S770 F771	D139-R767 IonicContact OD1-CZ 2.71Å; D139-R767 IonicContact OD1-NH1 3.83Å; D139-R767 PolarHBondContact OD1-NH1 3.32Å; D139-R767 IonicContact OD1-NH2 3.44Å; Y142-R767 HydrophobicContact CD2-CG 4.47Å; Y142-R767 HydrophobicContact CE1-CG 4.24Å; Y142-R767 HydrophobicContact CE2-CG 3.65Å; Y142-R767 VanDerWaalsContact CZ-CD 3.4Å; Y142-R767 WeakPolarHBondContact OH-CG 3.18Å; F763-R767 WeakPolarHBondContact O-CB 3.18Å; F763-R767 PolarHBondContact O-N 3.49Å; I764-R767 PolarHBondContact O-N 3.05Å; R767-L769 VanDerWaalsContact C-N 3.31Å; R767-L769 PolarHBondContact O-N 3.33Å; R767-S770 WeakPolarHBondContact O-CB 3.42Å; R767-S770 PolarHBondContact O-N 2.96Å; R767-F771 PolarHBondContact O-N 3.37Å
768	D	95.3	Very high	95.1	Very high	64 Å²	64	45.1 Å²	45.1	34%	0.342	23%	0.232	S	C	.	.	H	α-helix	trans	-67.3	-36.4	-176.6	-67.6	-2.1	0	0	0	110.7	I764 F771 S772	I764-D768 WeakPolarHBondContact O-CB 3.43Å; I764-D768 VanDerWaalsContact O-CG 3.25Å; I764-D768 PolarHBondContact O-N 3.49Å; D768-F771 PolarHBondContact O-N 2.88Å; D768-S772 VanDerWaalsContact O-CB 3.32Å; D768-S772 WeakPolarHBondContact O-CB 3.28Å; D768-S772 PolarHBondContact O-N 3.27Å
769	L	95.8	Very high	95	Very high	62 Å²	62	45 Å²	45	33%	0.325	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-43.1	172.2	-177.1	64.8	0	0	0	112.5	L737 E765 R767 S772 L773	L737-L769 HydrophobicContact CD2-CD2 3.64Å; L737-L769 HydrophobicContact CD2-CG 4.43Å; E765-L769 WeakPolarHBondContact O-CB 3.49Å; E765-L769 PolarHBondContact O-N 3.22Å; E765-L769 VanDerWaalsContact O-N 3.08Å; R767-L769 VanDerWaalsContact C-N 3.31Å; R767-L769 PolarHBondContact O-N 3.33Å; L769-S772 PolarHBondContact O-N 2.96Å; L769-L773 WeakPolarHBondContact O-CB 3.28Å; L769-L773 PolarHBondContact O-N 3.47Å
770	S	96.7	Very high	94.9	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.028	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-48.3	175.1	175.7	0	0	0	0	110.3	D509 R512 Q766 R767 S772 L773 S774	D509-S770 WeakPolarHBondContact OD2-CB 3.43Å; D509-S770 PolarHBondContact OD2-OG 3.29Å; R512-S770 VanDerWaalsContact NH2-CA 3.3Å; Q766-S770 WeakPolarHBondContact O-CB 3.37Å; Q766-S770 PolarHBondContact O-N 3.37Å; R767-S770 WeakPolarHBondContact O-CB 3.42Å; R767-S770 PolarHBondContact O-N 2.96Å; S770-S772 PolarHBondContact O-N 2.91Å; S770-L773 WeakPolarHBondContact O-CB 3.5Å; S770-L773 PolarHBondContact O-N 3.39Å; S770-S774 PolarHBondContact O-N 3.5Å; S770-S774 PolarHBondContact O-OG 3.36Å
771	F	96.6	Very high	94.9	Very high	14 Å²	14	45.9 Å²	45.9	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-41.7	179.6	179.4	-136.6	0	0	0	112.4	Y142 Q145 Y146 Y149 R767 D768 L773 S774 K775	Y142-F771 AromaticContact CD2-CD1 3.93Å; Y142-F771 HydrophobicContact CD2-CD1 3.93Å; Y142-F771 HydrophobicContact CE2-CB 3.82Å; Y142-F771 AromaticContact CE2-CD1 3.83Å; Y142-F771 HydrophobicContact CE2-CD1 3.83Å; Y142-F771 AromaticContact CE2-CG 3.97Å; Y142-F771 HydrophobicContact CE2-CG 3.97Å; Q145-F771 HydrophobicContact CB-CE1 3.76Å; Q145-F771 HydrophobicContact CB-CZ 3.82Å; Y146-F771 HydrophobicContact CD2-CB 4.47Å; Y146-F771 AromaticContact CD2-CD2 3.48Å; Y146-F771 HydrophobicContact CD2-CD2 3.48Å; Y146-F771 VanDerWaalsContact CD2-CD2 3.48Å; Y146-F771 AromaticContact CD2-CE2 3.78Å; Y146-F771 HydrophobicContact CD2-CE2 3.78Å; Y146-F771 AromaticContact CD2-CG 3.96Å; Y146-F771 HydrophobicContact CD2-CG 3.96Å; Y146-F771 HydrophobicContact CD2-CZ 4.46Å; Y146-F771 AromaticContact CE2-CD2 3.93Å; Y146-F771 HydrophobicContact CE2-CD2 3.93Å; Y146-F771 HydrophobicContact CE2-CE2 4.48Å; Y146-F771 HydrophobicContact CG-CD2 4.5Å; Y146-F771 HydrophobicContact CG-CE2 4.41Å; Y149-F771 HydrophobicContact CD1-CD2 4.24Å; Y149-F771 AromaticContact CD1-CE2 3.72Å; Y149-F771 HydrophobicContact CD1-CE2 3.72Å; Y149-F771 HydrophobicContact CD2-CE2 4.33Å; Y149-F771 HydrophobicContact CE1-CE2 4.45Å; Y149-F771 AromaticContact CG-CE2 3.66Å; Y149-F771 HydrophobicContact CG-CE2 3.66Å; R767-F771 PolarHBondContact O-N 3.37Å; D768-F771 PolarHBondContact O-N 2.88Å; F771-L773 VanDerWaalsContact C-N 3.3Å; F771-L773 PolarHBondContact O-N 2.91Å; F771-S774 PolarHBondContact O-N 3.4Å; F771-K775 HydrophobicContact CE1-CD 4.47Å; F771-K775 HydrophobicContact CE2-CB 4.33Å; F771-K775 HydrophobicContact CZ-CD 4.15Å; F771-K775 VanDerWaalsContact O-CB 3.23Å; F771-K775 WeakPolarHBondContact O-CB 3.44Å; F771-K775 PolarHBondContact O-N 3.46Å
772	S	96.1	Very high	94.9	Very high	79 Å²	79	44.9 Å²	44.9	55%	0.552	24%	0.235	S	C	*	.	H	α-helix	trans	-60.4	-41	175.2	-174.9	0	0	0	0	111.9	D768 L769 S770 S776	D768-S772 VanDerWaalsContact O-CB 3.32Å; D768-S772 WeakPolarHBondContact O-CB 3.28Å; D768-S772 PolarHBondContact O-N 3.27Å; L769-S772 PolarHBondContact O-N 2.96Å; S770-S772 PolarHBondContact O-N 2.91Å; S772-S776 PolarHBondContact O-N 3.08Å
773	L	95.7	Very high	94.8	Very high	49 Å²	49	47.7 Å²	47.7	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-50.6	175.2	179.4	64.6	0	0	0	110.5	Y511 R512 K515 L769 S770 F771 K775 S776	Y511-L773 HydrophobicContact CD1-CD2 4.15Å; Y511-L773 HydrophobicContact CD1-CG 3.98Å; Y511-L773 HydrophobicContact CE1-CD2 4.45Å; Y511-L773 HydrophobicContact CE1-CG 3.84Å; R512-L773 HydrophobicContact CB-CD2 3.98Å; R512-L773 HydrophobicContact CG-CD2 4.1Å; K515-L773 HydrophobicContact CB-CD2 4.43Å; K515-L773 HydrophobicContact CG-CD1 4.23Å; K515-L773 HydrophobicContact CG-CD2 4.26Å; L769-L773 WeakPolarHBondContact O-CB 3.28Å; L769-L773 PolarHBondContact O-N 3.47Å; S770-L773 WeakPolarHBondContact O-CB 3.5Å; S770-L773 PolarHBondContact O-N 3.39Å; F771-L773 VanDerWaalsContact C-N 3.3Å; F771-L773 PolarHBondContact O-N 2.91Å; L773-K775 PolarHBondContact O-N 3Å; L773-S776 WeakPolarHBondContact O-CB 3.44Å; L773-S776 PolarHBondContact O-N 3.27Å; L773-S776 PolarHBondContact O-OG 3.39Å
774	S	95.3	Very high	94.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-40.3	179.6	-69.4	0	0	0	0	113.6	Y149 N186 S770 F771 S776 I777	Y149-S774 WeakPolarHBondContact OH-CB 3.44Å; N186-S774 VanDerWaalsContact CG-OG 3.27Å; N186-S774 PolarHBondContact ND2-OG 3.29Å; N186-S774 PolarHBondContact OD1-OG 2.89Å; S770-S774 PolarHBondContact O-N 3.5Å; S770-S774 PolarHBondContact O-OG 3.36Å; F771-S774 PolarHBondContact O-N 3.4Å; S774-S776 PolarHBondContact O-N 3.25Å; S774-I777 WeakPolarHBondContact O-CG2 3.36Å; S774-I777 PolarHBondContact O-N 3.02Å
775	K	93.7	Very high	94.7	Very high	96 Å²	96	51.6 Å²	51.6	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-65.4	-27.6	-179.9	-171.5	177.1	-178.8	-179.9	0	112.5	F771 L773 I777 F778	F771-K775 HydrophobicContact CE1-CD 4.47Å; F771-K775 HydrophobicContact CE2-CB 4.33Å; F771-K775 HydrophobicContact CZ-CD 4.15Å; F771-K775 VanDerWaalsContact O-CB 3.23Å; F771-K775 WeakPolarHBondContact O-CB 3.44Å; F771-K775 PolarHBondContact O-N 3.46Å; L773-K775 PolarHBondContact O-N 3Å; K775-I777 PolarHBondContact O-N 3.49Å; K775-F778 PolarHBondContact O-N 3.01Å
776	S	92.1	Very high	94.6	Very high	77 Å²	77	50.7 Å²	50.7	54%	0.538	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.9	-179.8	75.6	0	0	0	0	115.2	S772 L773 S774 F778	S772-S776 PolarHBondContact O-N 3.08Å; L773-S776 WeakPolarHBondContact O-CB 3.44Å; L773-S776 PolarHBondContact O-N 3.27Å; L773-S776 PolarHBondContact O-OG 3.39Å; S774-S776 PolarHBondContact O-N 3.25Å; S776-F778 VanDerWaalsContact C-N 3.27Å
777	I	91.3	Very high	94.4	Very high	44 Å²	44	53.6 Å²	53.6	23%	0.226	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-17.9	175.3	-155.8	160	0	0	0	113.3	I153 P189 L192 E193 S774 K775	I153-I777 HydrophobicContact CD1-CG2 3.88Å; P189-I777 HydrophobicContact CB-CD1 4.02Å; P189-I777 WeakPolarHBondContact O-CD1 3.33Å; L192-I777 HydrophobicContact CB-CD1 3.65Å; L192-I777 HydrophobicContact CB-CG1 4.42Å; L192-I777 HydrophobicContact CD1-CD1 4.14Å; L192-I777 HydrophobicContact CG-CD1 4.44Å; E193-I777 HydrophobicContact CG-CD1 4.07Å; S774-I777 WeakPolarHBondContact O-CG2 3.36Å; S774-I777 PolarHBondContact O-N 3.02Å; K775-I777 PolarHBondContact O-N 3.49Å
778	F	88.9	Confident	94.3	Very high	143 Å²	143	57.5 Å²	57.5	63%	0.627	31%	0.307	S	S	*	.			trans	-109.1	0	172.3	-60.4	-63.2	0	0	0	110	Y149 K152 I153 L192 K775 S776	Y149-F778 HydrophobicContact CD2-CD2 4.2Å; Y149-F778 AromaticContact CD2-CE2 3.93Å; Y149-F778 HydrophobicContact CD2-CE2 3.93Å; Y149-F778 HydrophobicContact CE2-CD2 4.47Å; Y149-F778 HydrophobicContact CE2-CE2 4.1Å; K152-F778 HydrophobicContact CB-CE2 3.92Å; K152-F778 HydrophobicContact CB-CZ 3.8Å; I153-F778 HydrophobicContact CD1-CD2 4.44Å; I153-F778 HydrophobicContact CD1-CE1 4.48Å; I153-F778 HydrophobicContact CD1-CE2 3.39Å; I153-F778 HydrophobicContact CD1-CZ 3.41Å; I153-F778 VanDerWaalsContact CD1-CZ 3.41Å; I153-F778 HydrophobicContact CG1-CE2 3.66Å; I153-F778 HydrophobicContact CG1-CZ 3.89Å; L192-F778 HydrophobicContact CD1-CE1 4.49Å; L192-F778 HydrophobicContact CD1-CZ 4.46Å; K775-F778 PolarHBondContact O-N 3.01Å; S776-F778 VanDerWaalsContact C-N 3.27Å

Retrieved 778 of 778 residues in 235 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).