X5D2K4_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession X5D2K4, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	42.2	Very low	233 Å²	233	133.4 Å²	133.4	100%	1.148	70%	0.703	S	S	*	*				0	99.1	0	-84.2	169.8	-171.7	0	0	107.8
2	A	34.2	Very low	42.4	Very low	98 Å²	98	133.1 Å²	133.1	81%	0.81	70%	0.701	S	S	*	*			trans	-85.2	115.1	171.5	0	0	0	0	0	107.2	M4	A2-M4 PolarHBondContact O-N 2.73Å
3	F	35.3	Very low	42.2	Very low	205 Å²	205	130.2 Å²	130.2	90%	0.899	69%	0.686	S	S	*	*			trans	-68	99.8	171.3	-87.5	-92.6	0	0	0	107.9	A5	F3-A5 PolarHBondContact O-N 3.33Å
4	M	40	Very low	42.1	Very low	168 Å²	168	125.5 Å²	125.5	83%	0.828	67%	0.669	S	S	*	*			trans	-70.5	107.3	165.3	-78.2	174.9	77.8	0	0	107.3	A2	A2-M4 PolarHBondContact O-N 2.73Å
5	A	42.1	Very low	42.2	Very low	56 Å²	56	119.4 Å²	119.4	46%	0.463	65%	0.647	S	S	.	*			trans	-57.6	143	167.8	0	0	0	0	0	109.3	F3 R7 L10	F3-A5 PolarHBondContact O-N 3.33Å; A5-R7 PolarHBondContact O-N 3.04Å; A5-L10 HydrophobicContact CB-CD1 4.16Å
6	P	47.1	Very low	42.2	Very low	77 Å²	77	115.4 Å²	115.4	50%	0.5	64%	0.636	S	S	.	*			trans	-62.8	130.1	-177	-12.5	25.8	0	0	0	109.5	T8 L9 L10	P6-T8 PolarHBondContact O-N 2.64Å; P6-L9 WeakPolarHBondContact O-CB 3.47Å; P6-L9 PolarHBondContact O-N 2.79Å; P6-L10 PolarHBondContact O-N 2.71Å
7	R	47.9	Very low	41.9	Very low	209 Å²	209	115.1 Å²	115.1	79%	0.789	63%	0.632	S	S	*	*	H	α-helix	trans	-52.3	-26.5	178.5	-88	177.2	159.8	145.1	-5.8	113.6	A5 L11	A5-R7 PolarHBondContact O-N 3.04Å; R7-L11 WeakPolarHBondContact O-CG 3.5Å; R7-L11 PolarHBondContact O-N 3.05Å
8	T	48.1	Very low	41.6	Very low	99 Å²	99	111.8 Å²	111.8	61%	0.607	62%	0.623	S	S	*	*	H	α-helix	trans	-68.9	-36.9	173.8	29.9	0	0	0	0	113.5	P6 L11 L12	P6-T8 PolarHBondContact O-N 2.64Å; T8-L11 PolarHBondContact O-N 3.46Å; T8-L12 PolarHBondContact O-N 3.49Å; T8-L12 VanDerWaalsContact O-N 3.1Å
9	L	42.5	Very low	41.4	Very low	96 Å²	96	110.6 Å²	110.6	50%	0.503	62%	0.615	S	S	.	*	H	α-helix	trans	-68.9	-38	176.5	-151.1	87.2	0	0	0	111	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.47Å; P6-L9 PolarHBondContact O-N 2.79Å; L9-L13 HydrophobicContact CD2-CD1 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.41Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 3.33Å
10	L	42.9	Very low	41.3	Very low	104 Å²	104	109.7 Å²	109.7	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-64.5	-40.5	174.5	-110	97.1	0	0	0	112	A5 P6 L13 S14	A5-L10 HydrophobicContact CB-CD1 4.16Å; P6-L10 PolarHBondContact O-N 2.71Å; L10-L13 PolarHBondContact O-N 2.92Å; L10-S14 WeakPolarHBondContact O-CB 3.5Å; L10-S14 PolarHBondContact O-N 3.3Å; L10-S14 PolarHBondContact O-OG 3.25Å
11	L	49.9	Very low	41.1	Very low	122 Å²	122	112.4 Å²	112.4	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-68.8	-39	178.9	-75.6	164.1	0	0	0	112.6	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.5Å; R7-L11 PolarHBondContact O-N 3.05Å; T8-L11 PolarHBondContact O-N 3.46Å; L11-S14 WeakPolarHBondContact O-CB 3.11Å; L11-S14 PolarHBondContact O-N 2.87Å; L11-G15 PolarHBondContact O-N 3.03Å
12	L	44.9	Very low	41.5	Very low	130 Å²	130	105.7 Å²	105.7	68%	0.681	59%	0.592	S	S	*	*	H	α-helix	trans	-66.3	-41.2	174	-77	163.6	0	0	0	112.1	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 3.49Å; T8-L12 VanDerWaalsContact O-N 3.1Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 2.93Å; L12-G15 PolarHBondContact O-N 3.15Å; L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.88Å
13	L	39.7	Very low	42.2	Very low	96 Å²	96	102.8 Å²	102.8	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-34	172.7	-79.3	159.7	0	0	0	112	L9 L10 L17	L9-L13 HydrophobicContact CD2-CD1 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.41Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 3.33Å; L10-L13 PolarHBondContact O-N 2.92Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.26Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.07Å
14	S	41.2	Very low	43.1	Very low	64 Å²	64	96.3 Å²	96.3	45%	0.448	55%	0.545	S	S	.	.	H	α-helix	trans	-69.5	-39.9	175.6	-52.3	0	0	0	0	111.9	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.5Å; L10-S14 PolarHBondContact O-N 3.3Å; L10-S14 PolarHBondContact O-OG 3.25Å; L11-S14 WeakPolarHBondContact O-CB 3.11Å; L11-S14 PolarHBondContact O-N 2.87Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 2.93Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.19Å
15	G	43.4	Very low	44.7	Very low	34 Å²	34	89.2 Å²	89.2	35%	0.351	52%	0.515	S	S	.	.	H	α-helix	trans	-66.5	-45.2	175	0	0	0	0	0	112	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.03Å; L12-G15 PolarHBondContact O-N 3.15Å; G15-A18 PolarHBondContact O-N 3.27Å; G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.26Å; G15-L19 PolarHBondContact O-N 3.32Å
16	A	42.7	Very low	47	Very low	56 Å²	56	89.8 Å²	89.8	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-41	175.1	0	0	0	0	0	112.3	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.88Å; A16-L19 PolarHBondContact O-N 2.89Å; A16-T20 VanDerWaalsContact O-CG2 3.3Å; A16-T20 WeakPolarHBondContact O-CG2 3.39Å; A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 PolarHBondContact O-OG1 3.48Å
17	L	36.7	Very low	49.3	Very low	109 Å²	109	87.8 Å²	87.8	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-67.9	-42.1	176.5	-80.2	162.2	0	0	0	112.2	L13 L19 T20 Q21	L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.26Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.07Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.33Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 2.95Å; L17-T20 PolarHBondContact O-OG1 3.47Å; L17-Q21 WeakPolarHBondContact O-CB 3.43Å; L17-Q21 PolarHBondContact O-N 2.9Å
18	A	36.3	Very low	51.6	Low	57 Å²	57	79 Å²	79	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-39.4	176.3	0	0	0	0	0	111.8	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.19Å; G15-A18 PolarHBondContact O-N 3.27Å; A18-T22 WeakPolarHBondContact O-CG2 3.45Å
19	L	37.9	Very low	54	Low	88 Å²	88	74.2 Å²	74.2	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-71.4	-37.9	173.5	-91	138.3	0	0	0	112.5	G15 A16 L17 Q21 T22 W23	G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.26Å; G15-L19 PolarHBondContact O-N 3.32Å; A16-L19 PolarHBondContact O-N 2.89Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.31Å; L19-T22 PolarHBondContact O-N 2.96Å; L19-T22 PolarHBondContact O-OG1 3.45Å; L19-T22 VanDerWaalsContact O-OG1 3.08Å; L19-W23 PolarHBondContact O-NE1 2.77Å
20	T	38.8	Very low	56.7	Low	93 Å²	93	72 Å²	72	57%	0.571	43%	0.426	S	S	*	.	H	α-helix	trans	-68.2	-25.2	175.4	54.3	0	0	0	0	113.3	A16 L17	A16-T20 VanDerWaalsContact O-CG2 3.3Å; A16-T20 WeakPolarHBondContact O-CG2 3.39Å; A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 PolarHBondContact O-OG1 3.48Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 2.95Å; L17-T20 PolarHBondContact O-OG1 3.47Å
21	Q	36.8	Very low	59.3	Low	166 Å²	166	67.4 Å²	67.4	78%	0.776	40%	0.401	S	S	*	.	H	α-helix	trans	-79.6	-18.4	-179.2	-128	172.4	5.3	0	0	113.4	L17 L19	L17-Q21 WeakPolarHBondContact O-CB 3.43Å; L17-Q21 PolarHBondContact O-N 2.9Å; L19-Q21 PolarHBondContact O-N 3.31Å
22	T	43.4	Very low	61.6	Low	92 Å²	92	65.4 Å²	65.4	56%	0.564	39%	0.387	S	S	*	.	S	Bend	trans	-89.6	-9.2	-179.2	55	0	0	0	0	114.2	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.45Å; L19-T22 PolarHBondContact O-N 2.96Å; L19-T22 PolarHBondContact O-OG1 3.45Å; L19-T22 VanDerWaalsContact O-OG1 3.08Å
23	W	47.9	Very low	64.2	Low	38 Å²	38	59.5 Å²	59.5	14%	0.144	36%	0.356	C	S	.	.	S	Bend	trans	-94.7	-22.4	-171.6	-73.6	53.3	0	0	0	113.7	L19 G25 E236 E288	L19-W23 PolarHBondContact O-NE1 2.77Å; W23-G25 PolarHBondContact O-N 2.9Å; W23-E236 HydrophobicContact CE3-CG 4.39Å; W23-E236 HydrophobicContact CH2-CB 4.47Å; W23-E236 HydrophobicContact CH2-CG 3.71Å; W23-E236 HydrophobicContact CZ2-CG 3.87Å; W23-E236 HydrophobicContact CZ3-CB 4.35Å; W23-E236 HydrophobicContact CZ3-CG 3.96Å; W23-E236 VanDerWaalsContact CZ3-O 3.22Å; W23-E236 WeakPolarHBondContact CZ3-O 3.47Å; W23-E288 HydrophobicContact CE3-CB 4.14Å
24	A	54.8	Low	67	Low	69 Å²	69	57 Å²	57	57%	0.57	35%	0.345	S	S	*	.	S	Bend	trans	-92.5	99.2	-176.3	0	0	0	0	0	111.8
25	G	73.6	Confident	69.8	Low	19 Å²	19	54.1 Å²	54.1	20%	0.196	33%	0.325	C	S	.	.	S	Bend	trans	89.3	19.3	151.7	0	0	0	0	0	118.4	W23 G128 S129	W23-G25 PolarHBondContact O-N 2.9Å; G25-G128 CarbonylContact O-C 3.58Å; G25-S129 WeakPolarHBondContact O-CA 3.3Å; G25-S129 VanDerWaalsContact O-CB 3.26Å; G25-S129 WeakPolarHBondContact O-CB 3.25Å; G25-S129 PolarHBondContact O-N 3.23Å
26	S	90.3	Very high	72.4	Confident	68 Å²	68	54.7 Å²	54.7	48%	0.476	32%	0.321	S	S	.	.			trans	-83.3	143.5	161.9	58.7	0	0	0	0	110.4	V127	S26-V127 CarbonylContact C-O 3.48Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.22Å; S26-V127 WeakPolarHBondContact CB-O 3.48Å
27	H	94.8	Very high	75	Confident	34 Å²	34	52.9 Å²	52.9	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.8	177.6	-66	-78.3	0	0	0	110.8	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.41Å; H27-D53 IonicContact CE1-OD2 3.82Å; H27-D53 IonicContact CG-OD2 2.72Å; H27-D53 IonicContact ND1-OD1 3.02Å; H27-D53 IonicContact ND1-OD2 2.71Å; H27-D53 PolarHBondContact ND1-OD2 3.38Å; H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.22Å; H27-V127 HydrophobicContact CB-CG2 3.95Å; H27-V127 PolarHBondContact N-O 3.02Å; H27-V127 PolarHBondContact O-N 3.47Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.25Å
28	S	97.1	Very high	77.8	Confident	24 Å²	24	50.8 Å²	50.8	17%	0.168	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.9	-179.9	65.9	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.47Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.39Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 2.82Å; S28-D53 PolarHBondContact OG-OD1 2.93Å; S28-C125 CarbonylContact C-O 3.59Å; S28-C125 WeakPolarHBondContact CA-O 3Å; S28-D126 WeakPolarHBondContact CB-OD1 3.44Å
29	M	98.4	Very high	80.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.8	167.1	-172.4	171.2	61.8	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.09Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.01Å; M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.43Å; M29-V52 HydrophobicContact CG-CG2 4.31Å; M29-F57 HydrophobicContact CG-CE1 4.35Å; M29-F57 HydrophobicContact CG-CZ 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.23Å; M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.38Å; M29-C125 PolarHBondContact N-O 2.9Å; M29-C125 PolarHBondContact O-N 3.06Å; M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 VanDerWaalsContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.06Å; M29-W191 HydrophobicContact CE-CB 4.01Å; M29-W191 HydrophobicContact SD-CB 4.38Å; M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 4.08Å; M29-L192 HydrophobicContact CB-CG 4.31Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.4	Very high	82.9	Confident	49 Å²	49	50.8 Å²	50.8	19%	0.185	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.9	-176.9	-55.8	-62.7	179.1	75.5	6.3	111	F32 G50 Y51 Y123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 4.05Å; R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.3Å; R30-Y51 PolarHBondContact N-O 3.36Å; R30-Y51 PolarHBondContact O-N 3.27Å; R30-Y123 WeakPolarHBondContact CA-O 3.36Å; R30-D126 IonicContact CZ-OD1 2.83Å; R30-D126 IonicContact NE-OD1 3.78Å; R30-D126 PolarHBondContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.64Å; R30-D126 PolarHBondContact NH2-OD1 2.93Å; R30-D126 IonicContact NH2-OD2 3.73Å; R30-D126 PolarHBondContact NH2-OD2 3.17Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 2.94Å
31	Y	98.6	Very high	85.5	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.027	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.5	170.4	-70.6	-91.3	0	0	0	109.6	M29 F33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.09Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.01Å; Y31-F33 HydrophobicContact CD1-CE1 4.43Å; Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.41Å; Y31-F57 AromaticContact CZ-CZ 3.7Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; Y31-V58 HydrophobicContact CE1-CG2 3.92Å; Y31-M122 WeakPolarHBondContact O-CA 3.18Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.5Å; Y31-Y123 AromaticContact CD2-CE2 3.83Å; Y31-Y123 HydrophobicContact CD2-CE2 3.83Å; Y31-Y123 AromaticContact CD2-CZ 3.91Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.22Å; Y31-Y123 AromaticContact CG-CZ 3.82Å; Y31-Y123 PolarHBondContact N-O 3.14Å; Y31-Y123 PolarHBondContact O-N 2.88Å; Y31-Y123 VanDerWaalsContact O-N 3.07Å
32	F	98.8	Very high	88.1	Confident	81 Å²	81	51.6 Å²	51.6	36%	0.355	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.9	177	-58	-97.5	0	0	0	109.4	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 4.05Å; F32-A48 WeakPolarHBondContact O-CA 3.31Å; F32-V49 HydrophobicContact CB-CG2 3.81Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.43Å; F32-V49 PolarHBondContact O-N 3.2Å; F32-Y51 HydrophobicContact CD2-CD2 4.25Å; F32-Y51 HydrophobicContact CE2-CD2 4.31Å; F32-I121 CarbonylContact C-O 3.57Å; F32-I121 VanDerWaalsContact CA-O 3.29Å; F32-I121 WeakPolarHBondContact CA-O 3.32Å; F32-M122 HydrophobicContact CD1-CB 3.85Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 3.94Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.87Å
33	F	98.7	Very high	90.5	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143	174.5	-52.8	-25.4	0	0	0	109.8	Y31 F46 I47 A48 V91 Q94 Q120 I121 Y123	Y31-F33 HydrophobicContact CD1-CE1 4.43Å; F33-F46 HydrophobicContact CB-CE2 3.96Å; F33-F46 HydrophobicContact CB-CZ 3.96Å; F33-F46 HydrophobicContact CD1-CZ 4.14Å; F33-F46 HydrophobicContact CD2-CE2 4.47Å; F33-F46 HydrophobicContact CD2-CZ 4.13Å; F33-F46 HydrophobicContact CG-CE2 4.25Å; F33-F46 AromaticContact CG-CZ 3.83Å; F33-F46 HydrophobicContact CG-CZ 3.83Å; F33-I47 CarbonylContact C-O 3.57Å; F33-I47 WeakPolarHBondContact CA-O 3.16Å; F33-A48 HydrophobicContact CD1-CB 3.26Å; F33-A48 HydrophobicContact CE1-CB 3.44Å; F33-A48 VanDerWaalsContact CE1-CB 3.44Å; F33-A48 HydrophobicContact CG-CB 4.3Å; F33-V91 HydrophobicContact CZ-CG1 4.48Å; F33-Q94 HydrophobicContact CD2-CG 3.57Å; F33-Q94 HydrophobicContact CE2-CB 4.25Å; F33-Q94 HydrophobicContact CE2-CG 3.63Å; F33-Q120 WeakPolarHBondContact O-CA 3.35Å; F33-I121 HydrophobicContact CB-CB 4.23Å; F33-I121 HydrophobicContact CD2-CB 4.5Å; F33-I121 HydrophobicContact CD2-CG2 4.49Å; F33-I121 PolarHBondContact N-O 3.39Å; F33-I121 PolarHBondContact O-N 2.87Å; F33-Y123 HydrophobicContact CD2-CE1 4.09Å; F33-Y123 HydrophobicContact CE1-CE1 4.16Å; F33-Y123 HydrophobicContact CE2-CD1 4.45Å; F33-Y123 AromaticContact CE2-CE1 3.43Å; F33-Y123 HydrophobicContact CE2-CE1 3.43Å; F33-Y123 VanDerWaalsContact CE2-CE1 3.43Å; F33-Y123 AromaticContact CZ-CE1 3.49Å; F33-Y123 HydrophobicContact CZ-CE1 3.49Å; F33-Y123 VanDerWaalsContact CZ-CE1 3.49Å; F33-Y123 AromaticContact CZ-CZ 3.81Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.43Å
34	T	98.8	Very high	92.8	Very high	44 Å²	44	51.7 Å²	51.7	27%	0.27	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	123	176.3	-59	0	0	0	0	109.4	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.1Å; T34-F46 WeakPolarHBondContact O-CA 3.29Å; T34-I47 PolarHBondContact N-O 3.28Å; T34-I47 PolarHBondContact O-N 3.34Å; T34-T118 HydrophobicContact CG2-CG2 3.96Å; T34-I119 WeakPolarHBondContact CA-O 3.46Å; T34-Q120 HydrophobicContact CG2-CG 4.19Å
35	S	98.6	Very high	94.9	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.2	-178.9	-71.7	0	0	0	0	110.1	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.37Å; S35-F46 WeakPolarHBondContact OG-CD2 3.4Å; S35-D98 WeakPolarHBondContact CB-OD2 3.35Å; S35-D98 WeakPolarHBondContact OG-CB 3.04Å; S35-D98 PolarHBondContact OG-OD2 2.99Å; S35-T118 CarbonylContact O-C 3.57Å; S35-T118 VanDerWaalsContact O-CA 3.28Å; S35-T118 WeakPolarHBondContact O-CA 3.23Å; S35-I119 PolarHBondContact N-O 3.13Å; S35-I119 PolarHBondContact O-N 2.72Å
36	V	98.4	Very high	96.1	Very high	47 Å²	47	51.7 Å²	51.7	29%	0.285	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.5	-177.4	-173.8	0	0	0	0	109.4	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.1Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.49Å; V36-P44 WeakPolarHBondContact O-CB 3.48Å; V36-R45 PolarHBondContact N-O 3.12Å; V36-R45 PolarHBondContact O-N 3.49Å; V36-H117 WeakPolarHBondContact CA-O 3.4Å; V36-T118 HydrophobicContact CG2-CG2 4.11Å
37	S	97.5	Very high	96.5	Very high	17 Å²	17	50.5 Å²	50.5	12%	0.119	28%	0.276	C	S	.	.			trans	-69.1	144.3	175.3	77.1	0	0	0	0	110.9	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.31Å; S37-S116 PolarHBondContact O-OG 3.41Å; S37-H117 PolarHBondContact N-O 3.24Å; S37-H117 PolarHBondContact OG-N 2.87Å; S37-H117 PolarHBondContact OG-O 3.26Å
38	R	95.9	Very high	96.6	Very high	66 Å²	66	48.9 Å²	48.9	25%	0.249	27%	0.268	C	S	.	.			trans	-131.4	71.9	-175.2	-60.4	-177	-75.8	-163.9	-9.1	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.04Å; R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 PolarHBondContact O-N 3.2Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3Å; R38-E43 PolarHBondContact NH2-O 2.86Å; R38-D63 IonicContact CZ-OD1 3.88Å; R38-D63 IonicContact CZ-OD2 2.83Å; R38-D63 IonicContact NH1-OD1 2.68Å; R38-D63 PolarHBondContact NH1-OD1 3.32Å; R38-D63 IonicContact NH1-OD2 3.09Å; R38-D63 PolarHBondContact NH1-OD2 3.4Å; R38-D63 IonicContact NH2-OD1 3.94Å; R38-D63 PolarHBondContact NH2-OD1 2.87Å; R38-D63 IonicContact NH2-OD2 3.54Å
39	P	91.9	Very high	96.7	Very high	54 Å²	54	48.9 Å²	48.9	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	126.9	-177.5	-26.3	33.6	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.01Å; P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; P39-G115 WeakPolarHBondContact CG-O 3.46Å
40	G	90.3	Very high	96.7	Very high	91 Å²	91	48.9 Å²	48.9	94%	0.938	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	5.9	-179.3	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.04Å
41	R	92.1	Very high	96.7	Very high	215 Å²	215	49.8 Å²	49.8	81%	0.811	27%	0.271	S	S	*	.	S	Bend	trans	-126.3	23.3	-179.5	-58.8	-176.1	-178.5	-178.6	0.4	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 PolarHBondContact O-N 3.2Å; P39-R41 PolarHBondContact O-N 3.01Å
42	G	91.2	Very high	96.7	Very high	61 Å²	61	49.5 Å²	49.5	63%	0.629	27%	0.27	S	S	*	.	S	Bend	trans	95.9	-157.7	177.7	0	0	0	0	0	113.7
43	E	93.9	Very high	96.5	Very high	107 Å²	107	47.1 Å²	47.1	50%	0.5	26%	0.261	S	S	.	.	S	Bend	trans	-67.4	153.4	-177.7	-64.4	-65.8	159.7	0	0	112	R38 R99	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3Å; R38-E43 PolarHBondContact NH2-O 2.86Å; E43-R99 IonicContact OE1-NH1 3.38Å; E43-R99 PolarHBondContact OE1-NH1 2.78Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.63Å; E43-R99 IonicContact OE2-NE 3.72Å; E43-R99 IonicContact OE2-NH1 3.24Å; E43-R99 PolarHBondContact OE2-NH1 3.29Å
44	P	96.8	Very high	96.3	Very high	24 Å²	24	50 Å²	50	16%	0.156	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-52.3	141.9	171.4	-25.5	35.2	0	0	0	111.9	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.49Å; V36-P44 WeakPolarHBondContact O-CB 3.48Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.14Å; P44-L102 HydrophobicContact CB-CD1 3.61Å; P44-L102 HydrophobicContact CG-CD1 3.67Å
45	R	98.1	Very high	96.1	Very high	87 Å²	87	49 Å²	49	33%	0.328	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.1	171.4	-168.3	175.1	177.8	-177.7	-1.9	108.4	S35 V36 I47 D61 D63	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.37Å; V36-R45 PolarHBondContact N-O 3.12Å; V36-R45 PolarHBondContact O-N 3.49Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; R45-D61 IonicContact CZ-OD1 2.71Å; R45-D61 IonicContact CZ-OD2 3.58Å; R45-D61 IonicContact NE-OD1 3.42Å; R45-D61 PolarHBondContact NE-OD1 2.9Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 2.68Å; R45-D61 IonicContact NH2-OD1 3.13Å; R45-D61 PolarHBondContact NH2-OD1 3.45Å; R45-D61 IonicContact NH2-OD2 2.8Å; R45-D61 PolarHBondContact NH2-OD2 3.28Å; R45-D63 VanDerWaalsContact CD-OD2 3.31Å; R45-D63 WeakPolarHBondContact CD-OD2 3.42Å; R45-D63 IonicContact NE-OD2 3.42Å; R45-D63 PolarHBondContact NE-OD2 2.95Å
46	F	98.6	Very high	96	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.7	174.8	179	-87	0	0	0	109.6	F33 T34 S35 A48 F60 S62 V91 Q94 S95 D98	F33-F46 HydrophobicContact CB-CE2 3.96Å; F33-F46 HydrophobicContact CB-CZ 3.96Å; F33-F46 HydrophobicContact CD1-CZ 4.14Å; F33-F46 HydrophobicContact CD2-CE2 4.47Å; F33-F46 HydrophobicContact CD2-CZ 4.13Å; F33-F46 HydrophobicContact CG-CE2 4.25Å; F33-F46 AromaticContact CG-CZ 3.83Å; F33-F46 HydrophobicContact CG-CZ 3.83Å; T34-F46 WeakPolarHBondContact O-CA 3.29Å; S35-F46 WeakPolarHBondContact OG-CD2 3.4Å; F46-A48 HydrophobicContact CE1-CB 3.63Å; F46-A48 HydrophobicContact CZ-CB 4.03Å; F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; F46-S62 PolarHBondContact N-OG 2.86Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 3.04Å; F46-V91 HydrophobicContact CE1-CB 4.12Å; F46-Q94 HydrophobicContact CE2-CB 4.4Å; F46-Q94 HydrophobicContact CE2-CG 3.97Å; F46-Q94 HydrophobicContact CZ-CB 4.2Å; F46-Q94 HydrophobicContact CZ-CG 4.06Å; F46-S95 WeakPolarHBondContact CB-OG 3.34Å; F46-D98 HydrophobicContact CD2-CB 4.49Å
47	I	98.7	Very high	96	Very high	43 Å²	43	49 Å²	49	22%	0.221	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.5	174.1	-58.3	173.8	0	0	0	107.7	F33 T34 R45 V49 F60	F33-I47 CarbonylContact C-O 3.57Å; F33-I47 WeakPolarHBondContact CA-O 3.16Å; T34-I47 PolarHBondContact N-O 3.28Å; T34-I47 PolarHBondContact O-N 3.34Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å
48	A	98.7	Very high	96	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.1	171.2	0	0	0	0	0	110.4	F32 F33 F46 R59 F60 V91	F32-A48 WeakPolarHBondContact O-CA 3.31Å; F33-A48 HydrophobicContact CD1-CB 3.26Å; F33-A48 HydrophobicContact CE1-CB 3.44Å; F33-A48 VanDerWaalsContact CE1-CB 3.44Å; F33-A48 HydrophobicContact CG-CB 4.3Å; F46-A48 HydrophobicContact CE1-CB 3.63Å; F46-A48 HydrophobicContact CZ-CB 4.03Å; A48-R59 CarbonylContact O-C 3.52Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.44Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.01Å; A48-F60 PolarHBondContact O-N 3.17Å; A48-V91 HydrophobicContact CB-CG1 4.17Å
49	V	98.8	Very high	96.1	Very high	24 Å²	24	48.4 Å²	48.4	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.9	174.2	-62.6	0	0	0	0	109.8	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.81Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.43Å; F32-V49 PolarHBondContact O-N 3.2Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; V49-Y51 HydrophobicContact CB-CE2 4.05Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-V58 WeakPolarHBondContact CA-O 3.45Å; V49-R59 HydrophobicContact CG1-CB 4.5Å; V49-R59 HydrophobicContact CG1-CG 4.22Å
50	G	98.5	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.3	176.1	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.3Å; G50-Q56 WeakPolarHBondContact O-CA 3.28Å; G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 3.13Å; G50-V58 PolarHBondContact N-O 2.68Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.83Å
51	Y	98.4	Very high	96.9	Very high	69 Å²	69	42.7 Å²	42.7	27%	0.271	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.8	178.7	-74.5	-101.6	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.43Å; R30-Y51 PolarHBondContact N-O 3.36Å; R30-Y51 PolarHBondContact O-N 3.27Å; F32-Y51 HydrophobicContact CD2-CD2 4.25Å; F32-Y51 HydrophobicContact CE2-CD2 4.31Å; V49-Y51 HydrophobicContact CB-CE2 4.05Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.43Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.16Å; Y51-Q56 HydrophobicContact CE2-CG 3.93Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å
52	V	97.8	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119	156.9	177.3	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.47Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.39Å; M29-V52 HydrophobicContact CG-CG2 4.31Å; V52-D54 PolarHBondContact O-N 2.91Å; V52-T55 PolarHBondContact N-O 3.38Å; V52-T55 PolarHBondContact O-N 3.31Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.5Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-L196 HydrophobicContact CG1-CD2 4.11Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53	D	94.8	Very high	97.4	Very high	32 Å²	32	34.1 Å²	34.1	17%	0.171	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-123.3	-166.8	-54.1	-40.6	0	0	0	110.4	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.41Å; H27-D53 IonicContact CE1-OD2 3.82Å; H27-D53 IonicContact CG-OD2 2.72Å; H27-D53 IonicContact ND1-OD1 3.02Å; H27-D53 IonicContact ND1-OD2 2.71Å; H27-D53 PolarHBondContact ND1-OD2 3.38Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 2.82Å; S28-D53 PolarHBondContact OG-OD1 2.93Å
54	D	93.9	Very high	97.5	Very high	65 Å²	65	30.5 Å²	30.5	35%	0.348	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	8.2	179.2	-53.9	-59.6	0	0	0	113.8	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.91Å; D54-Y233 HydrophobicContact CB-CE2 4.4Å; D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 HydrophobicContact CB-CB 4.13Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 PolarHBondContact OD2-N 2.04Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.53Å
55	T	95.2	Very high	97.5	Very high	23 Å²	23	34.8 Å²	34.8	14%	0.141	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.9	-175	-60	0	0	0	0	111.5	Y51 V52 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 3.38Å; V52-T55 PolarHBondContact O-N 3.31Å; T55-F57 PolarHBondContact O-N 2.69Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 PolarHBondContact OG1-OH 2.83Å; T55-Y233 VanDerWaalsContact OG1-OH 3.1Å
56	Q	96.9	Very high	97.2	Very high	50 Å²	50	33.2 Å²	33.2	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129	174.2	-166.6	178.1	7.3	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.28Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.43Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.16Å; Y51-Q56 HydrophobicContact CE2-CG 3.93Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å; Q56-V58 PolarHBondContact NE2-O 2.97Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.56Å
57	F	97.9	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-23	179.9	75.1	-82.3	0	0	0	114.2	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.35Å; M29-F57 HydrophobicContact CG-CZ 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.23Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.41Å; Y31-F57 AromaticContact CZ-CZ 3.7Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 3.13Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 2.69Å; F57-R72 PolarHBondContact O-N 3.48Å; F57-A73 HydrophobicContact CB-CB 4.16Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.13Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.14Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.23Å; F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.45Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.4	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.9	176.9	-72.3	0	0	0	0	112.9	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.92Å; V49-V58 WeakPolarHBondContact CA-O 3.45Å; G50-V58 PolarHBondContact N-O 2.68Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.83Å; Q56-V58 PolarHBondContact NE2-O 2.97Å; V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.68Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.37Å; V58-M69 HydrophobicContact CG2-CE 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; V58-E70 WeakPolarHBondContact CA-O 3.29Å; V58-I76 HydrophobicContact CG1-CG1 4.4Å; V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å
59	R	98.4	Very high	97	Very high	70 Å²	70	43.1 Å²	43.1	26%	0.264	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	142.9	173.1	179.3	174.9	170.2	105.3	6.2	111.5	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.52Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.44Å; V49-R59 HydrophobicContact CG1-CB 4.5Å; V49-R59 HydrophobicContact CG1-CG 4.22Å; R59-D61 IonicContact NH2-OD2 3.69Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-M69 VanDerWaalsContact C-SD 3.52Å; R59-E70 PolarHBondContact N-O 3.32Å; R59-E70 PolarHBondContact O-N 3Å; R59-R72 HydrophobicContact CB-CG 3.87Å
60	F	98.7	Very high	97	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.4	165.6	176.1	-82.8	0	0	0	109.9	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.01Å; A48-F60 PolarHBondContact O-N 3.17Å; F60-Q67 VanDerWaalsContact CE2-C 3.46Å; F60-Q67 HydrophobicContact CE2-CB 4.46Å; F60-Q67 WeakPolarHBondContact CE2-O 3.48Å; F60-Q67 HydrophobicContact CZ-CB 4.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.42Å; F60-M69 HydrophobicContact CB-CE 4.42Å; F60-M69 HydrophobicContact CB-SD 3.98Å; F60-V91 HydrophobicContact CB-CG2 4.06Å; F60-V91 HydrophobicContact CD1-CG2 4.2Å; F60-V91 HydrophobicContact CD2-CG2 3.42Å; F60-V91 VanDerWaalsContact CD2-CG2 3.42Å; F60-V91 HydrophobicContact CE2-CG2 3.82Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG2 3.64Å; F60-V91 HydrophobicContact CZ-CG2 4.38Å; F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.14Å
61	D	98.4	Very high	96.9	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	122.2	174	-163.3	-31.8	0	0	0	109.1	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.71Å; R45-D61 IonicContact CZ-OD2 3.58Å; R45-D61 IonicContact NE-OD1 3.42Å; R45-D61 PolarHBondContact NE-OD1 2.9Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 2.68Å; R45-D61 IonicContact NH2-OD1 3.13Å; R45-D61 PolarHBondContact NH2-OD1 3.45Å; R45-D61 IonicContact NH2-OD2 2.8Å; R45-D61 PolarHBondContact NH2-OD2 3.28Å; R59-D61 IonicContact NH2-OD2 3.69Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact OD1-N 2.89Å; D61-A64 HydrophobicContact CB-CB 4.16Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 3.35Å; D61-A64 VanDerWaalsContact O-N 3.1Å
62	S	97.7	Very high	96.9	Very high	17 Å²	17	48.5 Å²	48.5	12%	0.119	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.9	-178.8	64.8	0	0	0	0	113.1	F46 Q67	F46-S62 PolarHBondContact N-OG 2.86Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 3.04Å; S62-Q67 PolarHBondContact O-NE2 3.44Å
63	D	96.8	Very high	96.8	Very high	80 Å²	80	48.7 Å²	48.7	43%	0.428	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.2	179.4	-69.8	0	0	0	0	112.3	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.88Å; R38-D63 IonicContact CZ-OD2 2.83Å; R38-D63 IonicContact NH1-OD1 2.68Å; R38-D63 PolarHBondContact NH1-OD1 3.32Å; R38-D63 IonicContact NH1-OD2 3.09Å; R38-D63 PolarHBondContact NH1-OD2 3.4Å; R38-D63 IonicContact NH2-OD1 3.94Å; R38-D63 PolarHBondContact NH2-OD1 2.87Å; R38-D63 IonicContact NH2-OD2 3.54Å; R45-D63 VanDerWaalsContact CD-OD2 3.31Å; R45-D63 WeakPolarHBondContact CD-OD2 3.42Å; R45-D63 IonicContact NE-OD2 3.42Å; R45-D63 PolarHBondContact NE-OD2 2.95Å; D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact OD1-N 2.89Å
64	A	96.6	Very high	96.8	Very high	31 Å²	31	52.1 Å²	52.1	26%	0.256	28%	0.283	S	S	.	.	S	Bend	trans	-70.5	145.9	175.9	0	0	0	0	0	111.1	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.16Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 3.35Å; D61-A64 VanDerWaalsContact O-N 3.1Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.92Å; A64-Q67 WeakPolarHBondContact O-CG 3.42Å; A64-Q67 PolarHBondContact O-N 3.29Å
65	A	95.7	Very high	96.9	Very high	113 Å²	113	49.7 Å²	49.7	93%	0.934	27%	0.269	S	S	*	.	S	Bend	trans	-63.9	-32.9	-179.2	0	0	0	0	0	113.5
66	S	92.7	Very high	97	Very high	55 Å²	55	48.6 Å²	48.6	39%	0.385	26%	0.262	S	S	.	.	S	Bend	trans	-71.2	-34.8	178.6	59	0	0	0	0	112	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.92Å; S66-R68 WeakPolarHBondContact O-CG 3.39Å; S66-R68 PolarHBondContact O-N 3.5Å; S66-E70 PolarHBondContact OG-OE1 3.45Å
67	Q	95.6	Very high	97	Very high	89 Å²	89	52.2 Å²	52.2	42%	0.416	28%	0.279	S	S	.	.			trans	39.6	49.9	-168	-59.3	-172.2	-26.6	0	0	111.7	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.46Å; F60-Q67 HydrophobicContact CE2-CB 4.46Å; F60-Q67 WeakPolarHBondContact CE2-O 3.48Å; F60-Q67 HydrophobicContact CZ-CB 4.46Å; S62-Q67 PolarHBondContact O-NE2 3.44Å; A64-Q67 WeakPolarHBondContact O-CG 3.42Å; A64-Q67 PolarHBondContact O-N 3.29Å; Q67-K92 WeakPolarHBondContact O-CE 3.4Å; Q67-K92 PolarHBondContact O-NZ 2.72Å
68	R	97.6	Very high	96.8	Very high	154 Å²	154	58 Å²	58	58%	0.581	31%	0.306	S	S	*	.	S	Bend	trans	-125.2	156.4	177.8	-78	-178.1	173.6	167.4	-3.1	110.2	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.42Å; S66-R68 WeakPolarHBondContact O-CG 3.39Å; S66-R68 PolarHBondContact O-N 3.5Å; R68-E70 PolarHBondContact O-N 2.69Å; R68-T88 HydrophobicContact CB-CG2 4.47Å; R68-T88 HydrophobicContact CG-CG2 4.14Å
69	M	98.2	Very high	96.7	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.039	31%	0.308	C	S	.	.			trans	-67	129.2	166.8	-173.3	64.3	86.6	0	0	108.2	V58 R59 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.68Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.37Å; V58-M69 HydrophobicContact CG2-CE 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; R59-M69 VanDerWaalsContact C-SD 3.52Å; F60-M69 HydrophobicContact CB-CE 4.42Å; F60-M69 HydrophobicContact CB-SD 3.98Å; M69-W84 HydrophobicContact CB-CE3 4.27Å; M69-W84 HydrophobicContact CG-CE3 4.16Å; M69-W84 HydrophobicContact CG-CZ3 3.98Å; M69-E87 HydrophobicContact CB-CB 4.11Å; M69-E87 HydrophobicContact CE-CB 4.41Å; M69-E87 HydrophobicContact CG-CB 4.1Å; M69-T88 PolarHBondContact N-OG1 2.88Å; M69-V91 HydrophobicContact CE-CB 4.41Å; M69-V91 HydrophobicContact CE-CG1 3.35Å; M69-V91 HydrophobicContact CE-CG2 4.27Å
70	E	97.9	Very high	96.6	Very high	59 Å²	59	56.9 Å²	56.9	28%	0.276	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.6	-175.8	-61.7	178	172.8	0	0	110.9	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.29Å; R59-E70 PolarHBondContact N-O 3.32Å; R59-E70 PolarHBondContact O-N 3Å; S66-E70 PolarHBondContact OG-OE1 3.45Å; R68-E70 PolarHBondContact O-N 2.69Å; E70-R72 IonicContact OE2-CZ 2.75Å; E70-R72 IonicContact OE2-NH1 3.69Å; E70-R72 PolarHBondContact OE2-NH1 3.12Å; E70-R72 VanDerWaalsContact OE2-NH1 3.13Å; E70-R72 IonicContact OE2-NH2 3.86Å; E70-R72 PolarHBondContact OE2-NH2 2.99Å
71	P	98	Very high	96.5	Very high	45 Å²	45	61.3 Å²	61.3	29%	0.292	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	147.9	174.5	28.5	-34.3	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.67Å; P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 4Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å
72	R	97.1	Very high	96.5	Very high	102 Å²	102	68.2 Å²	68.2	39%	0.385	37%	0.374	S	S	.	.			trans	-129.7	-0.4	173.3	-65.1	-63.3	-179.1	-95.5	2.3	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 3.48Å; R59-R72 HydrophobicContact CB-CG 3.87Å; E70-R72 IonicContact OE2-CZ 2.75Å; E70-R72 IonicContact OE2-NH1 3.69Å; E70-R72 PolarHBondContact OE2-NH1 3.12Å; E70-R72 VanDerWaalsContact OE2-NH1 3.13Å; E70-R72 IonicContact OE2-NH2 3.86Å; E70-R72 PolarHBondContact OE2-NH2 2.99Å
73	A	95.7	Very high	96.5	Very high	5 Å²	5	68.1 Å²	68.1	4%	0.041	37%	0.371	C	S	.	.	S	Bend	trans	-136.6	144.1	173.2	0	0	0	0	0	110.9	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.16Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.33Å; A73-I76 WeakPolarHBondContact O-CG2 3.35Å; A73-I76 PolarHBondContact O-N 2.95Å
74	P	95.9	Very high	96.6	Very high	103 Å²	103	66.2 Å²	66.2	67%	0.669	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59.1	-37.3	-177.5	-26.2	34.8	0	0	0	113.8	I76 E77	P74-I76 PolarHBondContact O-N 3.32Å; P74-E77 WeakPolarHBondContact O-CB 3.24Å; P74-E77 PolarHBondContact O-N 3.48Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	95.7	Very high	96.6	Very high	14 Å²	14	68.8 Å²	68.8	5%	0.053	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-70	-14.4	-176.4	54.2	-105.4	0	0	0	114.3	V52 F57 A73 Q78 Y195 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.5Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.13Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.14Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.23Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.33Å; W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Y195 HydrophobicContact CH2-CG 4.27Å; W75-Y195 AromaticContact CZ3-CD1 3.89Å; W75-Y195 HydrophobicContact CZ3-CD1 3.89Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.72Å; W75-Y195 HydrophobicContact CZ3-CG 3.72Å; W75-G199 VanDerWaalsContact CG-CA 3.49Å; W75-L203 HydrophobicContact CD2-CD1 4.47Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.07Å; W75-L203 HydrophobicContact CZ2-CG 4.33Å
76	I	97.4	Very high	96.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-89.2	-19.8	173.5	-162.7	72.3	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.45Å; V58-I76 HydrophobicContact CG1-CG1 4.4Å; P71-I76 HydrophobicContact CB-CG2 3.67Å; A73-I76 WeakPolarHBondContact O-CG2 3.35Å; A73-I76 PolarHBondContact O-N 2.95Å; P74-I76 PolarHBondContact O-N 3.32Å; I76-Q78 PolarHBondContact O-N 2.88Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.17Å; I76-E79 WeakPolarHBondContact O-CG 3.48Å; I76-E79 PolarHBondContact O-N 3.42Å; I76-Y83 HydrophobicContact CD1-CE1 4.16Å; I76-Y83 HydrophobicContact CG1-CE1 4.12Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.38Å; I76-W84 WeakPolarHBondContact O-CZ2 3.31Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å
77	E	95.8	Very high	97	Very high	126 Å²	126	65.7 Å²	65.7	59%	0.589	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.6	-176.9	-64.4	-177.8	-175.8	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 4Å; P74-E77 WeakPolarHBondContact O-CB 3.24Å; P74-E77 PolarHBondContact O-N 3.48Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.88Å
78	Q	94.4	Very high	97.1	Very high	122 Å²	122	62 Å²	62	57%	0.57	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.2	175.2	68.9	-176.9	18.5	0	0	113.9	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.3Å; I76-Q78 PolarHBondContact O-N 2.88Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 3.49Å; Q78-N198 PolarHBondContact NE2-OD1 2.86Å
79	E	96.7	Very high	97.1	Very high	11 Å²	11	62 Å²	62	5%	0.051	31%	0.311	C	S	.	.	S	Bend	trans	-65.8	139.4	175.7	-67.7	-60.9	159.6	0	0	111.2	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.17Å; I76-E79 WeakPolarHBondContact O-CG 3.48Å; I76-E79 PolarHBondContact O-N 3.42Å; E77-E79 PolarHBondContact O-N 2.88Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 PolarHBondContact O-NE1 2.59Å; E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 IonicContact OE1-NE 2.71Å; E79-R194 PolarHBondContact OE1-NE 2.85Å; E79-R194 IonicContact OE1-NH2 3.22Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 3.61Å; E79-R194 IonicContact OE2-NE 2.85Å; E79-R194 IonicContact OE2-NH2 2.68Å; E79-R194 PolarHBondContact OE2-NH2 2.93Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å; E79-N198 VanDerWaalsContact OE1-ND2 3.17Å
80	G	96.2	Very high	97.1	Very high	35 Å²	35	65 Å²	65	36%	0.361	33%	0.328	S	S	.	.			trans	-71.4	168.4	-174.3	0	0	0	0	0	114	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.86Å; G80-Y83 WeakPolarHBondContact O-CB 3.36Å; G80-Y83 PolarHBondContact O-N 3.43Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; G80-W84 VanDerWaalsContact O-CD1 3.24Å; G80-W84 PolarHBondContact O-N 2.91Å
81	P	97.1	Very high	97.1	Very high	99 Å²	99	62.4 Å²	62.4	64%	0.643	32%	0.316	S	S	*	.	H	α-helix	trans	-58.3	-33.1	-179.2	23.7	-33.9	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.48Å; P81-W84 PolarHBondContact O-N 3.27Å; P81-D85 WeakPolarHBondContact O-CB 3.31Å; P81-D85 PolarHBondContact O-N 2.87Å
82	E	97.6	Very high	97.1	Very high	164 Å²	164	64.3 Å²	64.3	77%	0.766	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-38.1	177.6	-65	-178.5	176.2	0	0	112.6	G80 Q86	G80-E82 PolarHBondContact O-N 2.86Å; E82-Q86 VanDerWaalsContact O-CB 3.25Å; E82-Q86 WeakPolarHBondContact O-CB 3.28Å; E82-Q86 PolarHBondContact O-N 3.49Å
83	Y	97.5	Very high	97.1	Very high	15 Å²	15	62.1 Å²	62.1	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-51.8	175	169.9	-97	0	0	0	110.5	I76 E79 G80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.16Å; I76-Y83 HydrophobicContact CG1-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.36Å; G80-Y83 PolarHBondContact O-N 3.43Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.48Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.18Å; Y83-Q86 PolarHBondContact O-N 3.1Å; Y83-E87 HydrophobicContact CD1-CG 4.43Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.65Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CB 3.35Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 3.02Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.13Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CZ2 4.4Å; Y83-W191 AromaticContact CE2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CZ3 3.96Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 3.12Å
84	W	98.3	Very high	97.2	Very high	40 Å²	40	63.9 Å²	63.9	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-38.1	-178.6	-64	111	0	0	0	113	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å; M69-W84 HydrophobicContact CB-CE3 4.27Å; M69-W84 HydrophobicContact CG-CE3 4.16Å; M69-W84 HydrophobicContact CG-CZ3 3.98Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.38Å; I76-W84 WeakPolarHBondContact O-CZ2 3.31Å; E79-W84 PolarHBondContact O-NE1 2.59Å; G80-W84 VanDerWaalsContact O-CD1 3.24Å; G80-W84 PolarHBondContact O-N 2.91Å; P81-W84 PolarHBondContact O-N 3.27Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 2.82Å; W84-T88 PolarHBondContact O-OG1 3.4Å
85	D	98.1	Very high	97.3	Very high	85 Å²	85	59.9 Å²	59.9	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-38.3	175.9	-77.1	-21.1	0	0	0	111.9	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.31Å; P81-D85 PolarHBondContact O-N 2.87Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.18Å; D85-R89 WeakPolarHBondContact O-CB 3.18Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.39Å; D85-R89 PolarHBondContact O-N 2.88Å; D85-R89 PolarHBondContact O-NE 2.79Å
86	Q	97.6	Very high	97.4	Very high	78 Å²	78	63.8 Å²	63.8	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-67.1	-49.8	174.9	-175	62.5	53.5	0	0	111.3	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.25Å; E82-Q86 WeakPolarHBondContact O-CB 3.28Å; E82-Q86 PolarHBondContact O-N 3.49Å; Y83-Q86 PolarHBondContact O-N 3.1Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 3.18Å; Q86-R89 PolarHBondContact O-N 3.47Å; Q86-R89 VanDerWaalsContact O-N 3.13Å; Q86-N90 PolarHBondContact NE2-OD1 3.03Å; Q86-N90 PolarHBondContact O-N 2.92Å; Q86-N90 PolarHBondContact O-ND2 2.87Å; Q86-N90 PolarHBondContact O-OD1 2.84Å
87	E	97.8	Very high	97.4	Very high	25 Å²	25	67 Å²	67	12%	0.117	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-41.4	179.4	-72.6	-58.7	97.3	0	0	111.7	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.11Å; M69-E87 HydrophobicContact CE-CB 4.41Å; M69-E87 HydrophobicContact CG-CB 4.1Å; Y83-E87 HydrophobicContact CD1-CG 4.43Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.65Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CB 3.35Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 3.02Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 2.87Å; E87-N90 PolarHBondContact O-N 2.95Å; E87-N90 PolarHBondContact OE1-ND2 2.9Å; E87-V91 WeakPolarHBondContact O-CG2 3.45Å; E87-V91 PolarHBondContact O-N 2.93Å
88	T	98.4	Very high	97.5	Very high	12 Å²	12	61 Å²	61	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-42.4	174.3	-63.4	0	0	0	0	111.8	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.47Å; R68-T88 HydrophobicContact CG-CG2 4.14Å; M69-T88 PolarHBondContact N-OG1 2.88Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 2.82Å; W84-T88 PolarHBondContact O-OG1 3.4Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 3.18Å; T88-V91 WeakPolarHBondContact O-CG2 3.26Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.2Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.06Å; T88-K92 VanDerWaalsContact O-N 3.1Å
89	R	98.3	Very high	97.7	Very high	153 Å²	153	59.8 Å²	59.8	58%	0.577	31%	0.306	S	S	*	.	H	α-helix	trans	-64.7	-43.2	176.5	-79.4	-174.9	-67.5	147.4	-0	111.5	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.18Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.39Å; D85-R89 PolarHBondContact O-N 2.88Å; D85-R89 PolarHBondContact O-NE 2.79Å; Q86-R89 PolarHBondContact O-N 3.47Å; Q86-R89 VanDerWaalsContact O-N 3.13Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 2.87Å; R89-K92 PolarHBondContact O-N 3.26Å; R89-A93 WeakPolarHBondContact O-CB 3.4Å; R89-A93 PolarHBondContact O-N 2.99Å
90	N	97.1	Very high	97.7	Very high	73 Å²	73	63.5 Å²	63.5	39%	0.39	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-51.8	179.1	-68.5	-14.5	0	0	0	111.3	Q86 E87 K92 A93 Q94	Q86-N90 PolarHBondContact NE2-OD1 3.03Å; Q86-N90 PolarHBondContact O-N 2.92Å; Q86-N90 PolarHBondContact O-ND2 2.87Å; Q86-N90 PolarHBondContact O-OD1 2.84Å; E87-N90 PolarHBondContact O-N 2.95Å; E87-N90 PolarHBondContact OE1-ND2 2.9Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 3.4Å; N90-A93 PolarHBondContact O-N 3.27Å; N90-Q94 PolarHBondContact O-N 2.84Å
91	V	97.8	Very high	97.8	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-69.1	-30.3	-179.5	-63.9	0	0	0	0	113.4	F33 F46 A48 F60 M69 E87 T88 Q94 S95	F33-V91 HydrophobicContact CZ-CG1 4.48Å; F46-V91 HydrophobicContact CE1-CB 4.12Å; A48-V91 HydrophobicContact CB-CG1 4.17Å; F60-V91 HydrophobicContact CB-CG2 4.06Å; F60-V91 HydrophobicContact CD1-CG2 4.2Å; F60-V91 HydrophobicContact CD2-CG2 3.42Å; F60-V91 VanDerWaalsContact CD2-CG2 3.42Å; F60-V91 HydrophobicContact CE2-CG2 3.82Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG2 3.64Å; F60-V91 HydrophobicContact CZ-CG2 4.38Å; M69-V91 HydrophobicContact CE-CB 4.41Å; M69-V91 HydrophobicContact CE-CG1 3.35Å; M69-V91 HydrophobicContact CE-CG2 4.27Å; E87-V91 WeakPolarHBondContact O-CG2 3.45Å; E87-V91 PolarHBondContact O-N 2.93Å; T88-V91 WeakPolarHBondContact O-CG2 3.26Å; V91-Q94 PolarHBondContact O-N 3.05Å; V91-S95 WeakPolarHBondContact O-CB 3.45Å; V91-S95 PolarHBondContact O-N 3.46Å
92	K	98.1	Very high	97.8	Very high	84 Å²	84	60.3 Å²	60.3	37%	0.365	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-41.2	171.8	-77	-176.2	179.2	-177.4	0	111.9	F60 Q67 T88 R89 N90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.14Å; Q67-K92 WeakPolarHBondContact O-CE 3.4Å; Q67-K92 PolarHBondContact O-NZ 2.72Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.2Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.06Å; T88-K92 VanDerWaalsContact O-N 3.1Å; R89-K92 PolarHBondContact O-N 3.26Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 3.4Å; K92-S95 PolarHBondContact O-N 2.93Å; K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 3.01Å; K92-Q96 VanDerWaalsContact O-N 3.12Å
93	A	98.2	Very high	97.8	Very high	57 Å²	57	54.2 Å²	54.2	47%	0.471	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-42.8	175.1	0	0	0	0	0	111.3	R89 N90 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.4Å; R89-A93 PolarHBondContact O-N 2.99Å; N90-A93 PolarHBondContact O-N 3.27Å; A93-Q96 PolarHBondContact O-N 3.3Å; A93-T97 PolarHBondContact O-N 3.41Å; A93-T97 VanDerWaalsContact O-N 3.07Å; A93-T97 PolarHBondContact O-OG1 2.87Å
94	Q	97.9	Very high	97.8	Very high	41 Å²	41	55.8 Å²	55.8	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-45	174.2	-172.6	67.1	54	0	0	111.8	F33 F46 N90 V91 Q96 T97 D98	F33-Q94 HydrophobicContact CD2-CG 3.57Å; F33-Q94 HydrophobicContact CE2-CB 4.25Å; F33-Q94 HydrophobicContact CE2-CG 3.63Å; F46-Q94 HydrophobicContact CE2-CB 4.4Å; F46-Q94 HydrophobicContact CE2-CG 3.97Å; F46-Q94 HydrophobicContact CZ-CB 4.2Å; F46-Q94 HydrophobicContact CZ-CG 4.06Å; N90-Q94 PolarHBondContact O-N 2.84Å; V91-Q94 PolarHBondContact O-N 3.05Å; Q94-Q96 PolarHBondContact O-N 2.96Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 2.94Å; Q94-T97 PolarHBondContact O-N 3.43Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact O-N 2.94Å
95	S	97.8	Very high	97.7	Very high	19 Å²	19	54.4 Å²	54.4	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-56.6	-37.5	177	173	0	0	0	0	113	F46 V91 K92 R99	F46-S95 WeakPolarHBondContact CB-OG 3.34Å; V91-S95 WeakPolarHBondContact O-CB 3.45Å; V91-S95 PolarHBondContact O-N 3.46Å; K92-S95 PolarHBondContact O-N 2.93Å; S95-R99 PolarHBondContact O-N 2.91Å; S95-R99 VanDerWaalsContact O-N 3.15Å
96	Q	97.8	Very high	97.7	Very high	96 Å²	96	53.8 Å²	53.8	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-70.7	-35.8	174	-65.8	-55	-53.4	0	0	112.7	K92 A93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 3.01Å; K92-Q96 VanDerWaalsContact O-N 3.12Å; A93-Q96 PolarHBondContact O-N 3.3Å; Q94-Q96 PolarHBondContact O-N 2.96Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 2.95Å; Q96-V100 PolarHBondContact O-N 2.03Å
97	T	97.9	Very high	97.6	Very high	67 Å²	67	52.2 Å²	52.2	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-52.1	175.6	-55.5	0	0	0	0	110.2	A93 Q94 R99 V100 D101	A93-T97 PolarHBondContact O-N 3.41Å; A93-T97 VanDerWaalsContact O-N 3.07Å; A93-T97 PolarHBondContact O-OG1 2.87Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 2.94Å; Q94-T97 PolarHBondContact O-N 3.43Å; T97-R99 PolarHBondContact O-N 3.39Å; T97-V100 WeakPolarHBondContact O-CB 3.4Å; T97-V100 PolarHBondContact O-N 2.88Å; T97-D101 PolarHBondContact O-N 3.49Å
98	D	97.8	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-34.8	177.7	-76.5	26.2	0	0	0	112.4	S35 F46 Q94 D101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.35Å; S35-D98 WeakPolarHBondContact OG-CB 3.04Å; S35-D98 PolarHBondContact OG-OD2 2.99Å; F46-D98 HydrophobicContact CD2-CB 4.49Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact O-N 2.94Å; D98-D101 PolarHBondContact O-N 2.79Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.21Å; D98-L102 PolarHBondContact O-N 3.23Å
99	R	97.3	Very high	97.6	Very high	98 Å²	98	56.2 Å²	56.2	37%	0.37	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-46.1	174.1	178	178	76.8	161.3	4.1	111.9	E43 P44 S95 Q96 T97 D101	E43-R99 IonicContact OE1-NH1 3.38Å; E43-R99 PolarHBondContact OE1-NH1 2.78Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.63Å; E43-R99 IonicContact OE2-NE 3.72Å; E43-R99 IonicContact OE2-NH1 3.24Å; E43-R99 PolarHBondContact OE2-NH1 3.29Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.14Å; S95-R99 PolarHBondContact O-N 2.91Å; S95-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 2.95Å; T97-R99 PolarHBondContact O-N 3.39Å; R99-D101 VanDerWaalsContact C-N 3.34Å
100	V	97.6	Very high	97.5	Very high	89 Å²	89	56.1 Å²	56.1	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-68.3	-39.5	178.3	175.9	0	0	0	0	110.1	Q96 T97 L102 G103 T104	Q96-V100 PolarHBondContact O-N 2.03Å; T97-V100 WeakPolarHBondContact O-CB 3.4Å; T97-V100 PolarHBondContact O-N 2.88Å; V100-L102 PolarHBondContact O-N 2.81Å; V100-G103 PolarHBondContact O-N 2.97Å; V100-T104 PolarHBondContact O-N 2.87Å; V100-T104 PolarHBondContact O-OG1 2.85Å
101	D	97.9	Very high	97.5	Very high	58 Å²	58	55.5 Å²	55.5	31%	0.31	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-37.9	179.2	-70	-20.3	0	0	0	111.9	T97 D98 R99 G103 T104 L105 I119	T97-D101 PolarHBondContact O-N 3.49Å; D98-D101 PolarHBondContact O-N 2.79Å; R99-D101 VanDerWaalsContact C-N 3.34Å; D101-G103 VanDerWaalsContact C-N 3.27Å; D101-G103 PolarHBondContact O-N 2.83Å; D101-T104 PolarHBondContact O-N 3.21Å; D101-T104 VanDerWaalsContact O-N 3.09Å; D101-L105 WeakPolarHBondContact O-CB 3.12Å; D101-L105 VanDerWaalsContact O-CG 3.3Å; D101-L105 WeakPolarHBondContact O-CG 3.4Å; D101-L105 PolarHBondContact O-N 3.03Å; D101-I119 HydrophobicContact CB-CD1 3.67Å
102	L	97.8	Very high	97.3	Very high	9 Å²	9	59 Å²	59	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-41.4	173.5	-81.9	165.9	0	0	0	111.8	P44 D98 V100 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.61Å; P44-L102 HydrophobicContact CG-CD1 3.67Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.21Å; D98-L102 PolarHBondContact O-N 3.23Å; V100-L102 PolarHBondContact O-N 2.81Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.33Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; L102-I119 HydrophobicContact CB-CD1 4.39Å; L102-I119 HydrophobicContact CD2-CD1 3.96Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.34Å
103	G	96.1	Very high	96.9	Very high	35 Å²	35	61.6 Å²	61.6	36%	0.361	34%	0.339	S	S	.	.	H	α-helix	trans	-69.5	-39.5	175.2	0	0	0	0	0	112.8	V100 D101 G107	V100-G103 PolarHBondContact O-N 2.97Å; D101-G103 VanDerWaalsContact C-N 3.27Å; D101-G103 PolarHBondContact O-N 2.83Å; G103-G107 PolarHBondContact O-N 3Å
104	T	97.5	Very high	96.6	Very high	48 Å²	48	63 Å²	63	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-66.1	-49.3	179.5	-60.4	0	0	0	0	111.7	V100 D101 G107 Y108	V100-T104 PolarHBondContact O-N 2.87Å; V100-T104 PolarHBondContact O-OG1 2.85Å; D101-T104 PolarHBondContact O-N 3.21Å; D101-T104 VanDerWaalsContact O-N 3.09Å; T104-G107 WeakPolarHBondContact O-CA 3.44Å; T104-G107 PolarHBondContact O-N 3.26Å; T104-G107 VanDerWaalsContact O-N 3.12Å; T104-Y108 HydrophobicContact CG2-CD1 4.37Å; T104-Y108 HydrophobicContact CG2-CD2 4.43Å; T104-Y108 HydrophobicContact CG2-CE1 3.78Å; T104-Y108 HydrophobicContact CG2-CE2 3.84Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.47Å; T104-Y108 PolarHBondContact O-N 2.89Å
105	L	97.8	Very high	96.4	Very high	12 Å²	12	62 Å²	62	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-62.9	-44.3	179.2	-67.9	175.2	0	0	0	111.1	D101 G107 Y108 Y109 I119 Y142 Y147	D101-L105 WeakPolarHBondContact O-CB 3.12Å; D101-L105 VanDerWaalsContact O-CG 3.3Å; D101-L105 WeakPolarHBondContact O-CG 3.4Å; D101-L105 PolarHBondContact O-N 3.03Å; L105-G107 PolarHBondContact O-N 3.17Å; L105-Y108 HydrophobicContact CD2-CD2 4.28Å; L105-Y108 PolarHBondContact O-N 2.88Å; L105-Y109 HydrophobicContact CD2-CE2 4.44Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.49Å; L105-Y109 PolarHBondContact O-N 3.42Å; L105-I119 HydrophobicContact CD1-CD1 3.59Å; L105-I119 HydrophobicContact CD1-CG1 3.71Å; L105-Y142 HydrophobicContact CB-CD1 4.43Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.08Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.46Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.46Å; L105-Y142 HydrophobicContact CD1-CE2 3.84Å; L105-Y142 HydrophobicContact CD1-CG 3.88Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD2 4.3Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.54Å; L105-Y147 VanDerWaalsContact CD2-OH 3.27Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å
106	R	96.7	Very high	96.3	Very high	72 Å²	72	64.5 Å²	64.5	27%	0.272	37%	0.369	S	S	.	.	H	α-helix	trans	-53.5	-41.3	173.5	-173	-173.4	68	-174.8	9.8	111.7	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.33Å; R106-N110 PolarHBondContact O-N 3.46Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 PolarHBondContact O-N 3.46Å; R106-E113 IonicContact CZ-OE1 2.91Å; R106-E113 IonicContact NH1-OE1 2.97Å; R106-E113 IonicContact NH2-OE1 3.74Å; R106-E113 PolarHBondContact NH2-OE1 3.18Å
107	G	96.6	Very high	96.4	Very high	44 Å²	44	60.7 Å²	60.7	45%	0.454	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-46.6	174.4	0	0	0	0	0	113.2	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 3Å; T104-G107 WeakPolarHBondContact O-CA 3.44Å; T104-G107 PolarHBondContact O-N 3.26Å; T104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 3.17Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.46Å; G107-N110 PolarHBondContact O-N 3.48Å; G107-N110 VanDerWaalsContact O-N 3.15Å
108	Y	97.7	Very high	96.4	Very high	56 Å²	56	59.1 Å²	59.1	22%	0.22	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-37.4	178.2	-68.3	-8.1	0	0	0	112.8	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.37Å; T104-Y108 HydrophobicContact CG2-CD2 4.43Å; T104-Y108 HydrophobicContact CG2-CE1 3.78Å; T104-Y108 HydrophobicContact CG2-CE2 3.84Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.47Å; T104-Y108 PolarHBondContact O-N 2.89Å; L105-Y108 HydrophobicContact CD2-CD2 4.28Å; L105-Y108 PolarHBondContact O-N 2.88Å; Y108-A163 HydrophobicContact CD2-CB 4.5Å; Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.23Å; Y108-I166 HydrophobicContact CE2-CB 4.09Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.27Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.28Å; Y108-K170 PolarHBondContact OH-NZ 3.08Å
109	Y	97.5	Very high	96.4	Very high	65 Å²	65	59.5 Å²	59.5	26%	0.255	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.1	179.4	-69.5	-72	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.44Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.49Å; L105-Y109 PolarHBondContact O-N 3.42Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.46Å; Y109-Q111 PolarHBondContact O-N 3.33Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.5Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.33Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.79Å; Y109-D161 VanDerWaalsContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 3.1Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.48Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.4	Very high	96.5	Very high	152 Å²	152	58.6 Å²	58.6	81%	0.813	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.1	-177.3	-58.3	-59.8	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.46Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 3.48Å; G107-N110 VanDerWaalsContact O-N 3.15Å
111	Q	96.5	Very high	96.6	Very high	59 Å²	59	54.6 Å²	54.6	28%	0.276	32%	0.319	S	S	.	.			trans	-87.6	155.7	-177.5	-70.5	165.8	-34.5	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 PolarHBondContact O-N 3.46Å; Y109-Q111 PolarHBondContact O-N 3.33Å; Q111-H117 PolarHBondContact NE2-CE1 3.19Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å; Q111-D143 PolarHBondContact NE2-OD2 3.42Å
112	S	94.3	Very high	96.6	Very high	79 Å²	79	53 Å²	53	55%	0.552	31%	0.31	S	S	*	.			trans	-75.9	152.6	-177.5	75.9	0	0	0	0	112.3	A114 G115	S112-A114 PolarHBondContact O-N 2.92Å; S112-G115 PolarHBondContact O-N 2.76Å
113	E	90.4	Very high	96.6	Very high	138 Å²	138	54 Å²	54	65%	0.645	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.1	178.3	-55.9	-156.9	126.7	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; R106-E113 IonicContact CZ-OE1 2.91Å; R106-E113 IonicContact NH1-OE1 2.97Å; R106-E113 IonicContact NH2-OE1 3.74Å; R106-E113 PolarHBondContact NH2-OE1 3.18Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	91.8	Very high	96.7	Very high	86 Å²	86	52.4 Å²	52.4	71%	0.711	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.6	178.7	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 2.92Å
115	G	92.9	Very high	96.8	Very high	21 Å²	21	50.1 Å²	50.1	22%	0.216	28%	0.282	C	S	.	.	S	Bend	trans	-74.4	134.5	179	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.46Å; S112-G115 PolarHBondContact O-N 2.76Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 2.71Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å
116	S	96.9	Very high	96.8	Very high	71 Å²	71	50.8 Å²	50.8	50%	0.497	29%	0.286	S	S	.	.			trans	-83.6	134.1	164.7	-179.5	0	0	0	0	108.5	S37	S37-S116 WeakPolarHBondContact O-CB 3.31Å; S37-S116 PolarHBondContact O-OG 3.41Å
117	H	98.1	Very high	96.7	Very high	15 Å²	15	47.4 Å²	47.4	7%	0.069	27%	0.273	C	S	.	.			trans	-131.4	152.3	-174.5	-64.6	-72.7	0	0	0	110.3	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.4Å; S37-H117 PolarHBondContact N-O 3.24Å; S37-H117 PolarHBondContact OG-N 2.87Å; S37-H117 PolarHBondContact OG-O 3.26Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; Q111-H117 PolarHBondContact NE2-CE1 3.19Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; G115-H117 PolarHBondContact O-CD2 2.71Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.42Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 2.83Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.47Å; H117-D143 IonicContact CG-OD1 3.49Å; H117-D143 IonicContact CG-OD2 2.99Å; H117-D143 IonicContact ND1-OD1 3.68Å; H117-D143 IonicContact ND1-OD2 3.12Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å
118	T	98.6	Very high	96.6	Very high	35 Å²	35	45.8 Å²	45.8	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	-175.5	-51.7	0	0	0	0	111.2	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.96Å; S35-T118 CarbonylContact O-C 3.57Å; S35-T118 VanDerWaalsContact O-CA 3.28Å; S35-T118 WeakPolarHBondContact O-CA 3.23Å; V36-T118 HydrophobicContact CG2-CG2 4.11Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.32Å; T118-Y142 VanDerWaalsContact O-CD2 3.25Å; T118-Y142 WeakPolarHBondContact O-CD2 3.43Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 3.43Å
119	I	98.7	Very high	96.2	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.1	162.8	-66.4	173.9	0	0	0	107.9	T34 S35 D101 L102 L105 I121 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.46Å; S35-I119 PolarHBondContact N-O 3.13Å; S35-I119 PolarHBondContact O-N 2.72Å; D101-I119 HydrophobicContact CB-CD1 3.67Å; L102-I119 HydrophobicContact CB-CD1 4.39Å; L102-I119 HydrophobicContact CD2-CD1 3.96Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.08Å; L105-I119 HydrophobicContact CD1-CD1 3.59Å; L105-I119 HydrophobicContact CD1-CG1 3.71Å; I119-I121 HydrophobicContact CG2-CD1 4.2Å; I119-I121 HydrophobicContact CG2-CG1 4.03Å; I119-A141 WeakPolarHBondContact CA-O 3.49Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.27Å
120	Q	98.8	Very high	95.8	Very high	80 Å²	80	48.8 Å²	48.8	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.3	171.8	-61.8	173	-97	0	0	109	F33 T34 T118 D140 A141	F33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 4.19Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-D140 CarbonylContact O-C 3.49Å; Q120-D140 WeakPolarHBondContact O-CA 3.22Å; Q120-A141 HydrophobicContact CB-CB 4.33Å; Q120-A141 PolarHBondContact N-O 3.12Å; Q120-A141 PolarHBondContact O-N 2.81Å
121	I	98.6	Very high	95.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.4	179.9	-63.3	164.7	0	0	0	107.9	F32 F33 I119 Y123 Q139 D140	F32-I121 CarbonylContact C-O 3.57Å; F32-I121 VanDerWaalsContact CA-O 3.29Å; F32-I121 WeakPolarHBondContact CA-O 3.32Å; F33-I121 HydrophobicContact CB-CB 4.23Å; F33-I121 HydrophobicContact CD2-CB 4.5Å; F33-I121 HydrophobicContact CD2-CG2 4.49Å; F33-I121 PolarHBondContact N-O 3.39Å; F33-I121 PolarHBondContact O-N 2.87Å; I119-I121 HydrophobicContact CG2-CD1 4.2Å; I119-I121 HydrophobicContact CG2-CG1 4.03Å; I121-Y123 HydrophobicContact CG2-CD1 4.11Å; I121-Q139 CarbonylContact C-O 3.54Å; I121-Q139 WeakPolarHBondContact CA-O 3.49Å; I121-D140 HydrophobicContact CG1-CB 4.4Å
122	M	98.6	Very high	95.4	Very high	25 Å²	25	47.3 Å²	47.3	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.2	167.6	-177.5	-80.7	-67.1	0	0	109.3	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.18Å; F32-M122 HydrophobicContact CD1-CB 3.85Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 3.94Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.87Å; M122-Y137 HydrophobicContact CE-CD1 4.41Å; M122-Y137 HydrophobicContact CE-CG 4.38Å; M122-R138 CarbonylContact O-C 3.59Å; M122-R138 WeakPolarHBondContact O-CA 3.32Å; M122-Q139 HydrophobicContact CE-CB 4.32Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 3.03Å; M122-Q139 PolarHBondContact O-N 3.34Å
123	Y	98.4	Very high	95.6	Very high	31 Å²	31	46 Å²	46	12%	0.122	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.5	170.3	69.9	-82.1	0	0	0	111.4	R30 Y31 F33 I121 Y137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.36Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.5Å; Y31-Y123 AromaticContact CD2-CE2 3.83Å; Y31-Y123 HydrophobicContact CD2-CE2 3.83Å; Y31-Y123 AromaticContact CD2-CZ 3.91Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.22Å; Y31-Y123 AromaticContact CG-CZ 3.82Å; Y31-Y123 PolarHBondContact N-O 3.14Å; Y31-Y123 PolarHBondContact O-N 2.88Å; Y31-Y123 VanDerWaalsContact O-N 3.07Å; F33-Y123 HydrophobicContact CD2-CE1 4.09Å; F33-Y123 HydrophobicContact CE1-CE1 4.16Å; F33-Y123 HydrophobicContact CE2-CD1 4.45Å; F33-Y123 AromaticContact CE2-CE1 3.43Å; F33-Y123 HydrophobicContact CE2-CE1 3.43Å; F33-Y123 VanDerWaalsContact CE2-CE1 3.43Å; F33-Y123 AromaticContact CZ-CE1 3.49Å; F33-Y123 HydrophobicContact CZ-CE1 3.49Å; F33-Y123 VanDerWaalsContact CZ-CE1 3.49Å; F33-Y123 AromaticContact CZ-CZ 3.81Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.43Å; I121-Y123 HydrophobicContact CG2-CD1 4.11Å; Y123-Y137 WeakPolarHBondContact CA-O 3.45Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 2.85Å; Y123-Y183 AromaticContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CD2-CE1 3.9Å; Y123-Y183 AromaticContact CE2-CE1 3.75Å; Y123-Y183 HydrophobicContact CE2-CE1 3.75Å
124	G	98.3	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-175.5	-179.6	0	0	0	0	0	113.8	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.38Å; G124-G136 CarbonylContact O-C 3.56Å; G124-G136 WeakPolarHBondContact O-CA 3.29Å; G124-Y137 PolarHBondContact N-O 3.01Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 2.94Å; G124-L184 VanDerWaalsContact O-CD2 3.3Å; G124-L184 WeakPolarHBondContact O-CD2 3.39Å
125	C	98.4	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.7	-174.6	56.7	0	0	0	0	111.5	S28 M29 F133 R135 L184 C188 V189	S28-C125 CarbonylContact C-O 3.59Å; S28-C125 WeakPolarHBondContact CA-O 3Å; M29-C125 PolarHBondContact N-O 2.9Å; M29-C125 PolarHBondContact O-N 3.06Å; C125-F133 HydrophobicContact CB-CD2 4.4Å; C125-F133 HydrophobicContact CB-CE2 4.11Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 VanDerWaalsContact CA-O 3.3Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; C125-L184 WeakPolarHBondContact CB-O 3.26Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.07Å; C125-C188 PolarHBondContact N-SG 3.3Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.25Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.87Å; C125-V189 HydrophobicContact CB-CG2 4.45Å
126	D	97.7	Very high	96.3	Very high	26 Å²	26	44 Å²	44	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.3	172.6	-61.1	-9.3	0	0	0	109.4	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.22Å; S28-D126 WeakPolarHBondContact CB-OD1 3.44Å; R30-D126 IonicContact CZ-OD1 2.83Å; R30-D126 IonicContact NE-OD1 3.78Å; R30-D126 PolarHBondContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.64Å; R30-D126 PolarHBondContact NH2-OD1 2.93Å; R30-D126 IonicContact NH2-OD2 3.73Å; R30-D126 PolarHBondContact NH2-OD2 3.17Å; D126-L134 HydrophobicContact CB-CB 4.33Å; D126-L134 PolarHBondContact O-N 3.38Å; D126-R135 HydrophobicContact CB-CB 4.41Å; D126-R135 PolarHBondContact N-O 3.03Å; D126-R135 PolarHBondContact O-N 3.46Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.31Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 2.91Å
127	V	96.6	Very high	96.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.9	174.7	-61.8	0	0	0	0	110.7	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.48Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.22Å; S26-V127 WeakPolarHBondContact CB-O 3.48Å; H27-V127 HydrophobicContact CB-CG2 3.95Å; H27-V127 PolarHBondContact N-O 3.02Å; H27-V127 PolarHBondContact O-N 3.47Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.37Å; V127-R132 WeakPolarHBondContact CB-O 3.4Å; V127-V189 HydrophobicContact CG1-CB 4.34Å; V127-V189 HydrophobicContact CG1-CG1 3.83Å; V127-V189 HydrophobicContact CG1-CG2 4.04Å; V127-L192 HydrophobicContact CB-CD2 4.38Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.65Å; V127-L192 HydrophobicContact CG2-CG 4.12Å; V127-L196 HydrophobicContact CG2-CD1 4.43Å
128	G	93.9	Very high	96.3	Very high	10 Å²	10	42.6 Å²	42.6	10%	0.103	21%	0.212	C	C	.	.			trans	-75.9	-179.7	172.9	0	0	0	0	0	111.9	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.58Å; G128-D130 PolarHBondContact O-N 3.01Å; G128-G131 VanDerWaalsContact O-CA 3.32Å; G128-G131 WeakPolarHBondContact O-CA 3.41Å; G128-G131 PolarHBondContact O-N 2.95Å; G128-R132 PolarHBondContact N-O 3.32Å
129	S	89.1	Confident	96.3	Very high	98 Å²	98	44.9 Å²	44.9	69%	0.685	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.9	177.5	52.6	0	0	0	0	114.4	G25 G131	G25-S129 WeakPolarHBondContact O-CA 3.3Å; G25-S129 VanDerWaalsContact O-CB 3.26Å; G25-S129 WeakPolarHBondContact O-CB 3.25Å; G25-S129 PolarHBondContact O-N 3.23Å; S129-G131 VanDerWaalsContact C-N 3.25Å
130	D	89.1	Confident	96.3	Very high	86 Å²	86	45.4 Å²	45.4	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5	169.8	59.4	15.5	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 3.01Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.18Å; D130-R132 WeakPolarHBondContact OD1-CG 3.46Å; D130-R132 PolarHBondContact OD1-N 2.6Å; D130-R132 IonicContact OD1-NE 4Å; D130-R132 IonicContact OD2-CZ 3.62Å; D130-R132 IonicContact OD2-NE 3.62Å; D130-R132 PolarHBondContact OD2-NE 3.45Å; D130-R132 IonicContact OD2-NH2 2.71Å; D130-R132 PolarHBondContact OD2-NH2 3.27Å
131	G	90.4	Very high	96.2	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	21%	0.212	C	C	.	.			trans	72.7	4.4	-177.6	0	0	0	0	0	114.4	G128 S129 R193	G128-G131 VanDerWaalsContact O-CA 3.32Å; G128-G131 WeakPolarHBondContact O-CA 3.41Å; G128-G131 PolarHBondContact O-N 2.95Å; S129-G131 VanDerWaalsContact C-N 3.25Å; G131-R193 PolarHBondContact O-NE 3.38Å; G131-R193 PolarHBondContact O-NH2 2.87Å
132	R	94.7	Very high	96.3	Very high	166 Å²	166	42.8 Å²	42.8	63%	0.626	21%	0.214	S	C	*	.			trans	-76.2	147.2	179.7	-66.9	-171.3	-69.5	175.8	-4.8	111.4	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.37Å; V127-R132 WeakPolarHBondContact CB-O 3.4Å; G128-R132 PolarHBondContact N-O 3.32Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.18Å; D130-R132 WeakPolarHBondContact OD1-CG 3.46Å; D130-R132 PolarHBondContact OD1-N 2.6Å; D130-R132 IonicContact OD1-NE 4Å; D130-R132 IonicContact OD2-CZ 3.62Å; D130-R132 IonicContact OD2-NE 3.62Å; D130-R132 PolarHBondContact OD2-NE 3.45Å; D130-R132 IonicContact OD2-NH2 2.71Å; D130-R132 PolarHBondContact OD2-NH2 3.27Å; R132-L134 PolarHBondContact O-N 3.46Å
133	F	96.9	Very high	96.2	Very high	52 Å²	52	44.5 Å²	44.5	23%	0.228	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	130.4	175.3	-178.5	-106.3	0	0	0	111.3	C125 R135 L154 L184 D185 V189	C125-F133 HydrophobicContact CB-CD2 4.4Å; C125-F133 HydrophobicContact CB-CE2 4.11Å; F133-R135 VanDerWaalsContact CE2-O 3.27Å; F133-R135 WeakPolarHBondContact CE2-O 3.47Å; F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.67Å; F133-L184 WeakPolarHBondContact CE2-O 3.32Å; F133-D185 WeakPolarHBondContact CB-OD1 2.93Å; F133-D185 HydrophobicContact CD1-CB 4.39Å; F133-D185 WeakPolarHBondContact CD1-OD1 3.34Å; F133-D185 HydrophobicContact CD2-CB 4.47Å; F133-D185 HydrophobicContact CE1-CB 4.4Å; F133-D185 HydrophobicContact CE2-CB 4.45Å; F133-D185 HydrophobicContact CG-CB 4.42Å; F133-D185 WeakPolarHBondContact CG-OD1 3.46Å; F133-D185 HydrophobicContact CZ-CB 4.41Å; F133-V189 HydrophobicContact CB-CG2 4Å; F133-V189 HydrophobicContact CD2-CG2 3.6Å; F133-V189 HydrophobicContact CG-CG2 4.26Å
134	L	96.1	Very high	96.2	Very high	107 Å²	107	45.8 Å²	45.8	56%	0.56	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	-48.7	173.5	-66.9	-179.3	0	0	0	111.3	D126 R132	D126-L134 HydrophobicContact CB-CB 4.33Å; D126-L134 PolarHBondContact O-N 3.38Å; R132-L134 PolarHBondContact O-N 3.46Å
135	R	96.3	Very high	96.2	Very high	90 Å²	90	53.4 Å²	53.4	34%	0.34	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	147.7	-171.6	-172.3	163	168.6	150.7	7.5	111.8	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.52Å; C125-R135 VanDerWaalsContact CA-O 3.3Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; D126-R135 HydrophobicContact CB-CB 4.41Å; D126-R135 PolarHBondContact N-O 3.03Å; D126-R135 PolarHBondContact O-N 3.46Å; F133-R135 VanDerWaalsContact CE2-O 3.27Å; F133-R135 WeakPolarHBondContact CE2-O 3.47Å; R135-Y137 HydrophobicContact CB-CE2 4.11Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.5Å; R135-Y137 HydrophobicContact CG-CE1 4.06Å; R135-Y137 HydrophobicContact CG-CE2 3.79Å; R135-Y137 PolarHBondContact NE-OH 3.18Å; R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.9Å; R135-E152 IonicContact NH1-OE1 3.8Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH1-OE2 3.55Å; R135-E152 VanDerWaalsContact NH2-CD 3.33Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 2.92Å; R135-E152 PolarHBondContact NH2-OE1 3.06Å
136	G	97.4	Very high	96.2	Very high	4 Å²	4	59.6 Å²	59.6	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.4	174	0	0	0	0	0	110.6	G124	G124-G136 CarbonylContact O-C 3.56Å; G124-G136 WeakPolarHBondContact O-CA 3.29Å
137	Y	97.1	Very high	96.2	Very high	33 Å²	33	58.9 Å²	58.9	13%	0.129	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.2	-177.4	-53.3	-96.1	0	0	0	110.2	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 2.94Å; M122-Y137 HydrophobicContact CE-CD1 4.41Å; M122-Y137 HydrophobicContact CE-CG 4.38Å; Y123-Y137 WeakPolarHBondContact CA-O 3.45Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 2.85Å; G124-Y137 PolarHBondContact N-O 3.01Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 2.94Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.31Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 2.91Å; R135-Y137 HydrophobicContact CB-CE2 4.11Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.5Å; R135-Y137 HydrophobicContact CG-CE1 4.06Å; R135-Y137 HydrophobicContact CG-CE2 3.79Å; R135-Y137 PolarHBondContact NE-OH 3.18Å
138	R	98.1	Very high	96.3	Very high	24 Å²	24	59 Å²	59	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	117.8	160.2	173.9	65.6	-173.3	-146.2	0.6	107.5	M122 D140 A149 L150 W157 L180	M122-R138 CarbonylContact O-C 3.59Å; M122-R138 WeakPolarHBondContact O-CA 3.32Å; R138-D140 IonicContact CZ-OD1 3.66Å; R138-D140 IonicContact CZ-OD2 3.23Å; R138-D140 IonicContact NE-OD1 3.77Å; R138-D140 PolarHBondContact NE-OD1 2.85Å; R138-D140 IonicContact NE-OD2 2.7Å; R138-D140 IonicContact NH2-OD1 2.72Å; R138-D140 PolarHBondContact NH2-OD1 3.45Å; R138-D140 IonicContact NH2-OD2 3.49Å; R138-D140 PolarHBondContact NH2-OD2 2.66Å; R138-A149 WeakPolarHBondContact O-CA 3.44Å; R138-L150 HydrophobicContact CB-CB 3.87Å; R138-L150 HydrophobicContact CB-CD2 4.23Å; R138-L150 PolarHBondContact O-N 3.17Å; R138-W157 HydrophobicContact CG-CH2 4.28Å; R138-W157 HydrophobicContact CG-CZ3 4.24Å; R138-L180 HydrophobicContact CG-CD1 4.13Å
139	Q	98.3	Very high	96.6	Very high	83 Å²	83	59.9 Å²	59.9	39%	0.388	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129.3	-178.2	-60.6	177.7	14.8	0	0	109.2	I121 M122 A149	I121-Q139 CarbonylContact C-O 3.54Å; I121-Q139 WeakPolarHBondContact CA-O 3.49Å; M122-Q139 HydrophobicContact CE-CB 4.32Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 3.03Å; M122-Q139 PolarHBondContact O-N 3.34Å; Q139-A149 HydrophobicContact CG-CB 4.04Å
140	D	98.6	Very high	97	Very high	18 Å²	18	55.9 Å²	55.9	10%	0.096	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.7	-178.8	-59.7	23.8	0	0	0	107.8	Q120 I121 R138 Y147 I148	Q120-D140 CarbonylContact O-C 3.49Å; Q120-D140 WeakPolarHBondContact O-CA 3.22Å; I121-D140 HydrophobicContact CG1-CB 4.4Å; R138-D140 IonicContact CZ-OD1 3.66Å; R138-D140 IonicContact CZ-OD2 3.23Å; R138-D140 IonicContact NE-OD1 3.77Å; R138-D140 PolarHBondContact NE-OD1 2.85Å; R138-D140 IonicContact NE-OD2 2.7Å; R138-D140 IonicContact NH2-OD1 2.72Å; R138-D140 PolarHBondContact NH2-OD1 3.45Å; R138-D140 IonicContact NH2-OD2 3.49Å; R138-D140 PolarHBondContact NH2-OD2 2.66Å; D140-Y147 WeakPolarHBondContact O-CA 3.24Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.01Å; D140-Y147 PolarHBondContact O-N 2.92Å; D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 3.38Å; D140-I148 PolarHBondContact O-N 3.47Å; D140-I148 VanDerWaalsContact O-N 3.13Å
141	A	98.8	Very high	97.4	Very high	18 Å²	18	53.9 Å²	53.9	15%	0.149	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.1	179.9	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.49Å; Q120-A141 HydrophobicContact CB-CB 4.33Å; Q120-A141 PolarHBondContact N-O 3.12Å; Q120-A141 PolarHBondContact O-N 2.81Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.5Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.17Å
142	Y	98.7	Very high	97.7	Very high	11 Å²	11	59.7 Å²	59.7	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128	178.9	-173.9	-119	0	0	0	110.5	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.34Å; L105-Y142 HydrophobicContact CB-CD1 4.43Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.08Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.46Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.46Å; L105-Y142 HydrophobicContact CD1-CE2 3.84Å; L105-Y142 HydrophobicContact CD1-CG 3.88Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.5Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.42Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 2.83Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.32Å; T118-Y142 VanDerWaalsContact O-CD2 3.25Å; T118-Y142 WeakPolarHBondContact O-CD2 3.43Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.27Å; Y142-G144 PolarHBondContact O-N 2.85Å; Y142-K145 PolarHBondContact N-O 3.08Å; Y142-K145 PolarHBondContact O-N 2.65Å
143	D	98.1	Very high	97.8	Very high	62 Å²	62	55.5 Å²	55.5	33%	0.332	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.3	-175.7	-67.8	-20.6	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.42Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.47Å; H117-D143 IonicContact CG-OD1 3.49Å; H117-D143 IonicContact CG-OD2 2.99Å; H117-D143 IonicContact ND1-OD1 3.68Å; H117-D143 IonicContact ND1-OD2 3.12Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 3.43Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.41Å
144	G	97.2	Very high	97.8	Very high	57 Å²	57	53.4 Å²	53.4	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	10.9	178.3	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.85Å
145	K	98.3	Very high	97.9	Very high	160 Å²	160	56.3 Å²	56.3	70%	0.696	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.1	175.9	-61.5	179.2	-176.3	176	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.5Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.17Å; Y142-K145 PolarHBondContact N-O 3.08Å; Y142-K145 PolarHBondContact O-N 2.65Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.41Å; K145-Y147 PolarHBondContact O-N 3.33Å
146	D	98.6	Very high	97.9	Very high	130 Å²	130	53.8 Å²	53.8	70%	0.695	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.9	134.3	173.6	-63.6	-23	0	0	0	110.4	A160	D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å
147	Y	98.7	Very high	98	Very high	12 Å²	12	53.7 Å²	53.7	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-62.8	178.7	179.4	-108.5	0	0	0	110.3	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.3Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.54Å; L105-Y147 VanDerWaalsContact CD2-OH 3.27Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.33Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.24Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.01Å; D140-Y147 PolarHBondContact O-N 2.92Å; K145-Y147 PolarHBondContact O-N 3.33Å; Y147-A160 WeakPolarHBondContact O-CB 3.25Å; Y147-A160 PolarHBondContact O-N 2.93Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.13Å; Y147-A164 HydrophobicContact CD2-CB 3.79Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.64Å; Y147-A164 HydrophobicContact CG-CB 4.25Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.47Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å
148	I	98.7	Very high	98	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.4	178.1	-162.5	172.9	0	0	0	110.9	D140 W157 T158 T167 K168 W171	D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 3.38Å; D140-I148 PolarHBondContact O-N 3.47Å; D140-I148 VanDerWaalsContact O-N 3.13Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; I148-T158 CarbonylContact C-O 3.55Å; I148-T158 WeakPolarHBondContact CA-O 3.23Å; I148-T158 WeakPolarHBondContact CG1-O 3.49Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-K168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.13Å; I148-W171 HydrophobicContact CD1-CZ3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.18Å; I148-W171 HydrophobicContact CG2-CZ3 3.86Å
149	A	98.7	Very high	98.1	Very high	28 Å²	28	55.4 Å²	55.4	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.3	179.4	0	0	0	0	0	111.6	R138 Q139 W157 T158	R138-A149 WeakPolarHBondContact O-CA 3.44Å; Q139-A149 HydrophobicContact CG-CB 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.21Å; A149-T158 PolarHBondContact N-O 3.33Å; A149-T158 PolarHBondContact O-N 3.2Å
150	L	98.6	Very high	98.1	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.1	169	-175.6	65.8	0	0	0	108.7	R138 L154 W157 A177 L180 L184	R138-L150 HydrophobicContact CB-CB 3.87Å; R138-L150 HydrophobicContact CB-CD2 4.23Å; R138-L150 PolarHBondContact O-N 3.17Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 4.01Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.15Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; L150-A177 HydrophobicContact CD1-CB 4.06Å; L150-L180 HydrophobicContact CD2-CB 4.43Å; L150-L184 HydrophobicContact CD2-CD1 3.87Å
151	N	98.2	Very high	98	Very high	44 Å²	44	56.3 Å²	56.3	24%	0.235	31%	0.311	C	S	.	.			trans	-73.9	163.8	179.5	-67.8	-29.7	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.69Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 2.88Å; N151-S156 VanDerWaalsContact CB-O 3.32Å; N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.28Å; N151-S156 PolarHBondContact N-O 3.16Å; N151-S156 PolarHBondContact ND2-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; N151-T158 PolarHBondContact ND2-OG1 2.85Å; N151-T158 WeakPolarHBondContact OD1-CB 3.27Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
152	E	96.4	Very high	98	Very high	137 Å²	137	62.4 Å²	62.4	64%	0.64	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.2	-179.5	-64.7	-177.1	-172.9	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.9Å; R135-E152 IonicContact NH1-OE1 3.8Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH1-OE2 3.55Å; R135-E152 VanDerWaalsContact NH2-CD 3.33Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 2.92Å; R135-E152 PolarHBondContact NH2-OE1 3.06Å; E152-L154 PolarHBondContact O-N 2.59Å
153	D	96.7	Very high	97.9	Very high	79 Å²	79	62.4 Å²	62.4	42%	0.422	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.9	174.9	68.8	6.5	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.69Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CG 3.43Å; D153-R155 PolarHBondContact O-N 3.22Å; D153-R155 PolarHBondContact OD1-N 3.24Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.94Å; D153-S156 PolarHBondContact OD1-OG 3.13Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.31Å; D153-S156 PolarHBondContact OD2-OG 3.25Å
154	L	97.2	Very high	97.9	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	32%	0.324	C	S	.	.	S	Bend	trans	53.2	29.1	-175.3	-52.1	176.2	0	0	0	113.6	F133 L150 N151 E152 R181 L184	F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.67Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 PolarHBondContact O-N 2.88Å; E152-L154 PolarHBondContact O-N 2.59Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.93Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; L154-L184 HydrophobicContact CD2-CD1 4.21Å
155	R	96.6	Very high	98	Very high	168 Å²	168	59.4 Å²	59.4	63%	0.634	31%	0.309	S	S	*	.	S	Bend	trans	-134.5	-32	-175.7	-70.6	171.8	-175.3	-101.1	12.1	112.3	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.43Å; D153-R155 PolarHBondContact O-N 3.22Å; D153-R155 PolarHBondContact OD1-N 3.24Å; R155-R181 VanDerWaalsContact CZ-NH1 3.29Å
156	S	97.3	Very high	98	Very high	36 Å²	36	54.8 Å²	54.8	25%	0.252	29%	0.291	S	S	.	.			trans	-115.9	159.4	-176	65.9	0	0	0	0	112.1	N151 D153	N151-S156 VanDerWaalsContact CB-O 3.32Å; N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.28Å; N151-S156 PolarHBondContact N-O 3.16Å; N151-S156 PolarHBondContact ND2-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.94Å; D153-S156 PolarHBondContact OD1-OG 3.13Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.31Å; D153-S156 PolarHBondContact OD2-OG 3.25Å
157	W	98.5	Very high	97.9	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.5	-176.3	-61.5	95	0	0	0	111.7	R138 I148 A149 L150 K168 W171 E176 A177 L180	R138-W157 HydrophobicContact CG-CH2 4.28Å; R138-W157 HydrophobicContact CG-CZ3 4.24Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; A149-W157 WeakPolarHBondContact O-CA 3.21Å; L150-W157 HydrophobicContact CB-CE3 4.01Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.15Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; W157-K168 HydrophobicContact CB-CD 4.16Å; W157-K168 HydrophobicContact CB-CG 4.05Å; W157-K168 VanDerWaalsContact O-CE 3.31Å; W157-K168 WeakPolarHBondContact O-CE 3.15Å; W157-K168 PolarHBondContact O-NZ 3.21Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 AromaticContact CH2-CE3 3.32Å; W157-W171 HydrophobicContact CH2-CE3 3.32Å; W157-W171 HydrophobicContact CH2-CH2 4.5Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; W157-E176 HydrophobicContact CZ2-CB 4.32Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.75Å
158	T	98.6	Very high	97.9	Very high	76 Å²	76	51 Å²	51	47%	0.466	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.8	167.5	-66	0	0	0	0	109	I148 A149 N151	I148-T158 CarbonylContact C-O 3.55Å; I148-T158 WeakPolarHBondContact CA-O 3.23Å; I148-T158 WeakPolarHBondContact CG1-O 3.49Å; A149-T158 PolarHBondContact N-O 3.33Å; A149-T158 PolarHBondContact O-N 3.2Å; N151-T158 PolarHBondContact ND2-OG1 2.85Å; N151-T158 WeakPolarHBondContact OD1-CB 3.27Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
159	A	98.6	Very high	97.9	Very high	16 Å²	16	58.1 Å²	58.1	13%	0.132	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.6	177.9	0	0	0	0	0	109.4	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 4.28Å; A159-K168 HydrophobicContact CB-CB 4.29Å; A159-K168 HydrophobicContact CB-CD 4.21Å
160	A	98.3	Very high	97.9	Very high	60 Å²	60	62.4 Å²	62.4	50%	0.496	31%	0.31	S	S	.	.	S	Bend	trans	-75.4	-31.5	-173.5	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 WeakPolarHBondContact O-CB 3.25Å; Y147-A160 PolarHBondContact O-N 2.93Å
161	D	97.9	Very high	97.9	Very high	60 Å²	60	64.2 Å²	64.2	32%	0.321	32%	0.316	S	S	.	.	S	Bend	trans	-149.1	-176	-178.4	68.4	29	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.79Å; Y109-D161 VanDerWaalsContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 3.1Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.85Å; D161-A163 WeakPolarHBondContact OD1-CA 3.36Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 3.15Å; D161-A164 PolarHBondContact O-N 2.91Å; D161-A164 PolarHBondContact OD1-N 2.87Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.89Å
162	M	97.5	Very high	97.9	Very high	147 Å²	147	66.3 Å²	66.3	72%	0.724	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.3	-178.5	-69.2	-59	-62.4	0	0	114.2
163	A	97.6	Very high	97.9	Very high	10 Å²	10	63.6 Å²	63.6	8%	0.083	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-44.4	175.1	0	0	0	0	0	109.8	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.5Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.48Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.13Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.85Å; D161-A163 WeakPolarHBondContact OD1-CA 3.36Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 3.15Å; A163-Q165 PolarHBondContact O-N 3.04Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.17Å; A163-I166 PolarHBondContact O-N 2.94Å
164	A	98.3	Very high	98	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-30.6	174.7	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.79Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.64Å; Y147-A164 HydrophobicContact CG-CB 4.25Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 PolarHBondContact O-N 2.91Å; D161-A164 PolarHBondContact OD1-N 2.87Å; A164-I166 PolarHBondContact O-N 3.23Å; A164-T167 PolarHBondContact O-N 2.95Å; A164-T167 VanDerWaalsContact O-N 3.16Å; A164-K168 PolarHBondContact O-N 2.95Å
165	Q	98.5	Very high	98	Very high	56 Å²	56	67 Å²	67	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-28.4	172.5	-68.3	-69	-21	0	0	112.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.28Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.89Å; A163-Q165 PolarHBondContact O-N 3.04Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.38Å; Q165-R169 PolarHBondContact O-N 3.34Å; Q165-R169 VanDerWaalsContact O-N 3.17Å
166	I	98.1	Very high	98	Very high	63 Å²	63	62 Å²	62	32%	0.323	33%	0.331	S	S	.	.	H	α-helix	trans	-68.2	-47.7	175.7	-55	172.3	0	0	0	109.7	Y108 A163 A164 R169 K170	Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.23Å; Y108-I166 HydrophobicContact CE2-CB 4.09Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.27Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.28Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.17Å; A163-I166 PolarHBondContact O-N 2.94Å; A164-I166 PolarHBondContact O-N 3.23Å; I166-R169 PolarHBondContact O-N 3.33Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 2.85Å
167	T	98.1	Very high	98	Very high	17 Å²	17	60.6 Å²	60.6	10%	0.104	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-45.8	175.3	-67.7	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.47Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; A164-T167 PolarHBondContact O-N 2.95Å; A164-T167 VanDerWaalsContact O-N 3.16Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 2.84Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 2.62Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.29Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.5Å; T167-W171 HydrophobicContact CG2-CZ2 4Å; T167-W171 PolarHBondContact O-N 3.29Å
168	K	98.6	Very high	97.9	Very high	45 Å²	45	66.5 Å²	66.5	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-50.8	-51.7	177	174.6	170.5	176.6	171.6	0	112.1	I148 W157 A159 A164 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.88Å; W157-K168 HydrophobicContact CB-CD 4.16Å; W157-K168 HydrophobicContact CB-CG 4.05Å; W157-K168 VanDerWaalsContact O-CE 3.31Å; W157-K168 WeakPolarHBondContact O-CE 3.15Å; W157-K168 PolarHBondContact O-NZ 3.21Å; A159-K168 HydrophobicContact CB-CB 4.29Å; A159-K168 HydrophobicContact CB-CD 4.21Å; A164-K168 PolarHBondContact O-N 2.95Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.31Å; K168-W171 PolarHBondContact O-N 2.83Å; K168-E172 WeakPolarHBondContact CE-OE1 3.31Å; K168-E172 HydrophobicContact CG-CG 4.35Å; K168-E172 IonicContact NZ-OE1 3.75Å; K168-E172 WeakPolarHBondContact O-CB 3.27Å; K168-E172 VanDerWaalsContact O-CG 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.42Å; K168-E172 PolarHBondContact O-N 2.82Å
169	R	98.5	Very high	97.7	Very high	153 Å²	153	69.1 Å²	69.1	58%	0.577	36%	0.356	S	S	*	.	H	α-helix	trans	-62	-38.5	179.6	-68.9	169.9	-167.2	156.2	4.7	112.7	Q165 I166 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.38Å; Q165-R169 PolarHBondContact O-N 3.34Å; Q165-R169 VanDerWaalsContact O-N 3.17Å; I166-R169 PolarHBondContact O-N 3.33Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 2.84Å; R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 2.83Å
170	K	97.9	Very high	97.6	Very high	118 Å²	118	70 Å²	70	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-46.8	176.8	-72.9	178.5	172.2	-176.2	0	111.1	Y108 I166 T167 K168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.08Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 2.62Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.31Å; K170-A173 PolarHBondContact O-N 2.66Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.68Å
171	W	98.1	Very high	97.6	Very high	52 Å²	52	71.1 Å²	71.1	20%	0.197	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-37	-179.3	-74	6.5	0	0	0	112.8	I148 W157 T167 K168 A174 H175 E176	I148-W171 HydrophobicContact CD1-CE3 4.13Å; I148-W171 HydrophobicContact CD1-CZ3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.18Å; I148-W171 HydrophobicContact CG2-CZ3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 AromaticContact CH2-CE3 3.32Å; W157-W171 HydrophobicContact CH2-CE3 3.32Å; W157-W171 HydrophobicContact CH2-CH2 4.5Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.29Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.5Å; T167-W171 HydrophobicContact CG2-CZ2 4Å; T167-W171 PolarHBondContact O-N 3.29Å; K168-W171 PolarHBondContact O-N 2.83Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 2.68Å; W171-H175 PolarHBondContact O-N 2.92Å; W171-E176 HydrophobicContact CB-CB 4Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.23Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.47Å
172	E	98.2	Very high	97.5	Very high	88 Å²	88	71.4 Å²	71.4	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-44.7	172.4	-74.2	174	161.9	0	0	111.4	K168 A174 H175	K168-E172 WeakPolarHBondContact CE-OE1 3.31Å; K168-E172 HydrophobicContact CG-CG 4.35Å; K168-E172 IonicContact NZ-OE1 3.75Å; K168-E172 WeakPolarHBondContact O-CB 3.27Å; K168-E172 VanDerWaalsContact O-CG 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.42Å; K168-E172 PolarHBondContact O-N 2.82Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.19Å; E172-H175 PolarHBondContact O-N 3.22Å
173	A	98.1	Very high	97.5	Very high	81 Å²	81	67.6 Å²	67.6	67%	0.669	34%	0.338	S	S	*	.	H	α-helix	trans	-66.1	-28.9	177	0	0	0	0	0	113.2	R169 K170	R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 2.83Å; K170-A173 PolarHBondContact O-N 2.66Å
174	A	97.5	Very high	97.6	Very high	49 Å²	49	67.1 Å²	67.1	41%	0.405	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.3	177.3	0	0	0	0	0	113.7	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.68Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 2.68Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.19Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 2.85Å
175	H	96.7	Very high	97.5	Very high	109 Å²	109	70.5 Å²	70.5	51%	0.505	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	33.5	-177.8	-62.4	-94.2	0	0	0	114	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 2.92Å; E172-H175 PolarHBondContact O-N 3.22Å; H175-A177 PolarHBondContact O-N 3.23Å; H175-E178 HydrophobicContact CB-CG 4.38Å; H175-E178 IonicContact CE1-OE1 2.69Å; H175-E178 IonicContact CG-OE1 3.4Å; H175-E178 IonicContact ND1-OE1 3.72Å; H175-E178 PolarHBondContact ND1-OE1 2.81Å; H175-E178 WeakPolarHBondContact O-CB 3.35Å; H175-E178 PolarHBondContact O-N 2.8Å
176	E	96.8	Very high	97.4	Very high	63 Å²	63	69 Å²	69	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-58.8	-34	-176.1	-67.5	-68.1	173.9	0	0	113	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.32Å; W171-E176 HydrophobicContact CB-CB 4Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.23Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.47Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 2.85Å; E176-E178 PolarHBondContact O-N 2.91Å; E176-Q179 PolarHBondContact O-N 3.07Å; E176-L180 PolarHBondContact O-N 2.88Å
177	A	97.5	Very high	97.4	Very high	7 Å²	7	68.6 Å²	68.6	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-61.2	-32.7	178	0	0	0	0	0	112.5	L150 W157 H175 R181	L150-A177 HydrophobicContact CD1-CB 4.06Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; H175-A177 PolarHBondContact O-N 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.17Å; A177-R181 PolarHBondContact O-N 3.39Å
178	E	96.4	Very high	97.4	Very high	127 Å²	127	67.8 Å²	67.8	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-69.3	-41.3	179.6	-63.2	177.6	-158.4	0	0	111.4	H175 E176 R181 A182	H175-E178 HydrophobicContact CB-CG 4.38Å; H175-E178 IonicContact CE1-OE1 2.69Å; H175-E178 IonicContact CG-OE1 3.4Å; H175-E178 IonicContact ND1-OE1 3.72Å; H175-E178 PolarHBondContact ND1-OE1 2.81Å; H175-E178 WeakPolarHBondContact O-CB 3.35Å; H175-E178 PolarHBondContact O-N 2.8Å; E176-E178 PolarHBondContact O-N 2.91Å; E178-R181 PolarHBondContact O-N 2.82Å; E178-A182 PolarHBondContact O-N 2.94Å
179	Q	94.7	Very high	97.3	Very high	130 Å²	130	65.9 Å²	65.9	61%	0.607	34%	0.34	S	S	*	.	H	α-helix	trans	-66.4	-46.4	176.3	-60.8	-173.9	20.9	0	0	111.3	E176 R181 A182 Y183	E176-Q179 PolarHBondContact O-N 3.07Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.38Å; Q179-A182 PolarHBondContact O-N 3.47Å; Q179-Y183 PolarHBondContact O-N 3.09Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å
180	L	96.8	Very high	97.3	Very high	34 Å²	34	64.8 Å²	64.8	18%	0.178	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-42.5	176.9	-75.7	168.9	0	0	0	111.5	R138 L150 W157 E176 A182 Y183 L184	R138-L180 HydrophobicContact CG-CD1 4.13Å; L150-L180 HydrophobicContact CD2-CB 4.43Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.75Å; E176-L180 PolarHBondContact O-N 2.88Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.88Å; L180-Y183 PolarHBondContact O-N 3.28Å; L180-L184 HydrophobicContact CB-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 2.91Å
181	R	97.4	Very high	97.3	Very high	84 Å²	84	62.5 Å²	62.5	32%	0.317	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-44.2	176.1	-178.2	176.3	175.8	-154.1	-4.7	112	L154 R155 A177 E178 Q179 Y183 L184 D185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.93Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; R155-R181 VanDerWaalsContact CZ-NH1 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.17Å; A177-R181 PolarHBondContact O-N 3.39Å; E178-R181 PolarHBondContact O-N 2.82Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.38Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.07Å; R181-L184 PolarHBondContact O-N 3.25Å; R181-D185 WeakPolarHBondContact O-CB 3.29Å; R181-D185 PolarHBondContact O-N 3.32Å
182	A	97.3	Very high	97.3	Very high	67 Å²	67	60 Å²	60	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-60	-38.7	177.9	0	0	0	0	0	112.1	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 2.94Å; Q179-A182 PolarHBondContact O-N 3.47Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.88Å; A182-G186 WeakPolarHBondContact O-CA 3.34Å; A182-G186 PolarHBondContact O-N 2.82Å
183	Y	97.3	Very high	97.2	Very high	66 Å²	66	61.5 Å²	61.5	26%	0.259	32%	0.322	S	S	.	.	I	π-helix	trans	-69.3	-49.1	173.3	173	-96.9	0	0	0	112.4	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CD2-CE1 3.9Å; Y123-Y183 AromaticContact CE2-CE1 3.75Å; Y123-Y183 HydrophobicContact CE2-CE1 3.75Å; Q179-Y183 PolarHBondContact O-N 3.09Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å; L180-Y183 PolarHBondContact O-N 3.28Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.07Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.38Å; Y183-T187 HydrophobicContact CD2-CG2 4.08Å; Y183-T187 HydrophobicContact CE2-CG2 4.04Å; Y183-T187 PolarHBondContact O-N 2.9Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.96Å; Y183-C188 WeakPolarHBondContact O-CB 3.16Å; Y183-C188 PolarHBondContact O-N 2.74Å
184	L	98	Very high	97.1	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	31%	0.312	C	S	.	.	I	π-helix	trans	-68.8	-40.7	-171.5	-69.6	172.4	0	0	0	113.3	G124 C125 F133 L150 L154 L180 R181	G124-L184 VanDerWaalsContact O-CD2 3.3Å; G124-L184 WeakPolarHBondContact O-CD2 3.39Å; C125-L184 WeakPolarHBondContact CB-O 3.26Å; F133-L184 WeakPolarHBondContact CE2-O 3.32Å; L150-L184 HydrophobicContact CD2-CD1 3.87Å; L154-L184 HydrophobicContact CD2-CD1 4.21Å; L180-L184 HydrophobicContact CB-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 2.91Å; R181-L184 PolarHBondContact O-N 3.25Å
185	D	96.3	Very high	97.1	Very high	71 Å²	71	61.1 Å²	61.1	38%	0.38	29%	0.293	S	S	.	.	I	π-helix	trans	-88.4	-16.2	179.8	-169.6	8.6	0	0	0	112.2	F133 R181	F133-D185 WeakPolarHBondContact CB-OD1 2.93Å; F133-D185 HydrophobicContact CD1-CB 4.39Å; F133-D185 WeakPolarHBondContact CD1-OD1 3.34Å; F133-D185 HydrophobicContact CD2-CB 4.47Å; F133-D185 HydrophobicContact CE1-CB 4.4Å; F133-D185 HydrophobicContact CE2-CB 4.45Å; F133-D185 HydrophobicContact CG-CB 4.42Å; F133-D185 WeakPolarHBondContact CG-OD1 3.46Å; F133-D185 HydrophobicContact CZ-CB 4.41Å; R181-D185 WeakPolarHBondContact O-CB 3.29Å; R181-D185 PolarHBondContact O-N 3.32Å
186	G	97.2	Very high	97.1	Very high	24 Å²	24	56.5 Å²	56.5	25%	0.247	27%	0.272	C	S	.	.	I	π-helix	trans	-109.4	-93.5	179.1	0	0	0	0	0	112.3	A182 Y183 C188 V189 E190	A182-G186 WeakPolarHBondContact O-CA 3.34Å; A182-G186 PolarHBondContact O-N 2.82Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.38Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.02Å; G186-V189 WeakPolarHBondContact O-CB 3.36Å; G186-V189 PolarHBondContact O-N 3.24Å; G186-E190 PolarHBondContact O-N 2.83Å; G186-E190 VanDerWaalsContact O-N 3.07Å
187	T	97.3	Very high	97	Very high	55 Å²	55	59.6 Å²	59.6	34%	0.337	29%	0.286	S	S	.	.	I	π-helix	trans	-55.4	-40.1	-170.5	-55.2	0	0	0	0	113.8	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.08Å; Y183-T187 HydrophobicContact CE2-CG2 4.04Å; Y183-T187 PolarHBondContact O-N 2.9Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 2.85Å; T187-E190 PolarHBondContact O-N 2.81Å; T187-W191 PolarHBondContact O-N 2.85Å
188	C	98.1	Very high	96.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-45.1	177.8	-176.9	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 VanDerWaalsContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.06Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.07Å; C125-C188 PolarHBondContact N-SG 3.3Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.25Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.87Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.96Å; Y183-C188 WeakPolarHBondContact O-CB 3.16Å; Y183-C188 PolarHBondContact O-N 2.74Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.02Å; C188-W191 PolarHBondContact O-N 2.75Å; C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 2.72Å
189	V	98.1	Very high	96.8	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-41.2	178.8	173.4	0	0	0	0	111.1	C125 V127 F133 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.45Å; V127-V189 HydrophobicContact CG1-CB 4.34Å; V127-V189 HydrophobicContact CG1-CG1 3.83Å; V127-V189 HydrophobicContact CG1-CG2 4.04Å; F133-V189 HydrophobicContact CB-CG2 4Å; F133-V189 HydrophobicContact CD2-CG2 3.6Å; F133-V189 HydrophobicContact CG-CG2 4.26Å; G186-V189 WeakPolarHBondContact O-CB 3.36Å; G186-V189 PolarHBondContact O-N 3.24Å; T187-V189 PolarHBondContact O-N 2.85Å; V189-L192 PolarHBondContact O-N 2.71Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 3.33Å
190	E	97.8	Very high	96.7	Very high	130 Å²	130	54.6 Å²	54.6	61%	0.607	26%	0.262	S	S	*	.	H	α-helix	trans	-61.6	-46.6	176.9	-69.3	177.8	167.3	0	0	111.9	G186 T187 R193 R194	G186-E190 PolarHBondContact O-N 2.83Å; G186-E190 VanDerWaalsContact O-N 3.07Å; T187-E190 PolarHBondContact O-N 2.81Å; E190-R193 PolarHBondContact O-N 2.9Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	97.8	Very high	96.5	Very high	70 Å²	70	61.5 Å²	61.5	27%	0.265	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-44.5	176	-80.8	114.9	0	0	0	112.5	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.01Å; M29-W191 HydrophobicContact SD-CB 4.38Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.13Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CZ2 4.4Å; Y83-W191 AromaticContact CE2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CZ3 3.96Å; T187-W191 PolarHBondContact O-N 2.85Å; C188-W191 PolarHBondContact O-N 2.75Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.42Å; W191-R194 WeakPolarHBondContact O-CB 3.24Å; W191-R194 PolarHBondContact O-N 3.26Å; W191-R194 VanDerWaalsContact O-N 3.14Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.47Å
192	L	97.9	Very high	96.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-45.3	177.5	177	49.6	0	0	0	111.4	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 4.08Å; M29-L192 HydrophobicContact CB-CG 4.31Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V127-L192 HydrophobicContact CB-CD2 4.38Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.65Å; V127-L192 HydrophobicContact CG2-CG 4.12Å; C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 2.72Å; V189-L192 PolarHBondContact O-N 2.71Å; L192-R194 PolarHBondContact O-N 3.1Å; L192-Y195 PolarHBondContact O-N 3.36Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.48Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.07Å
193	R	96.5	Very high	95.8	Very high	118 Å²	118	56.7 Å²	56.7	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-43.9	175.1	-72.1	174.8	-174.5	166.7	2.4	112.4	G131 V189 E190 W191 L196 E197	G131-R193 PolarHBondContact O-NE 3.38Å; G131-R193 PolarHBondContact O-NH2 2.87Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 3.33Å; E190-R193 PolarHBondContact O-N 2.9Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.42Å; R193-L196 PolarHBondContact O-N 3.18Å; R193-E197 PolarHBondContact O-N 2.79Å
194	R	96.6	Very high	95.5	Very high	121 Å²	121	57.7 Å²	57.7	46%	0.457	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-44.6	176.5	177.1	176	175.1	137.1	-0.6	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 IonicContact OE1-NE 2.71Å; E79-R194 PolarHBondContact OE1-NE 2.85Å; E79-R194 IonicContact OE1-NH2 3.22Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 3.61Å; E79-R194 IonicContact OE2-NE 2.85Å; E79-R194 IonicContact OE2-NH2 2.68Å; E79-R194 PolarHBondContact OE2-NH2 2.93Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.24Å; W191-R194 PolarHBondContact O-N 3.26Å; W191-R194 VanDerWaalsContact O-N 3.14Å; L192-R194 PolarHBondContact O-N 3.1Å; R194-E197 PolarHBondContact O-N 3.09Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 2.84Å; R194-N198 PolarHBondContact O-OD1 2.95Å
195	Y	97.1	Very high	95.2	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-38.4	178.9	-61.7	-24	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CH2-CG 4.27Å; W75-Y195 AromaticContact CZ3-CD1 3.89Å; W75-Y195 HydrophobicContact CZ3-CD1 3.89Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.72Å; W75-Y195 HydrophobicContact CZ3-CG 3.72Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 3.12Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.47Å; L192-Y195 PolarHBondContact O-N 3.36Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.98Å; Y195-N198 PolarHBondContact O-N 2.84Å; Y195-G199 WeakPolarHBondContact O-CA 3.31Å; Y195-G199 PolarHBondContact O-N 2.89Å; Y195-L203 WeakPolarHBondContact O-CD1 3.3Å
196	L	95.7	Very high	95	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-34.6	174.5	-72.1	167.5	0	0	0	112.5	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.25Å; V52-L196 HydrophobicContact CG1-CD2 4.11Å; V127-L196 HydrophobicContact CG2-CD1 4.43Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.48Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.07Å; R193-L196 PolarHBondContact O-N 3.18Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.2Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å; L196-Q204 PolarHBondContact O-NE2 2.88Å; L196-Q204 VanDerWaalsContact O-NE2 3.12Å
197	E	95.3	Very high	94.9	Very high	127 Å²	127	61.8 Å²	61.8	59%	0.593	29%	0.286	S	S	*	.	H	α-helix	trans	-72.5	-48.2	174.1	-171.2	60.1	-150.5	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.79Å; R194-E197 PolarHBondContact O-N 3.09Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.98Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.31Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.22Å
198	N	95.8	Very high	94.8	Very high	49 Å²	49	62.3 Å²	62.3	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-42	178.7	-69.3	-5.9	0	0	0	112.4	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.49Å; Q78-N198 PolarHBondContact NE2-OD1 2.86Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å; E79-N198 VanDerWaalsContact OE1-ND2 3.17Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 2.84Å; R194-N198 PolarHBondContact O-OD1 2.95Å; Y195-N198 PolarHBondContact O-N 2.84Å
199	G	94.8	Very high	94.8	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	18.2	-176.1	0	0	0	0	0	113.9	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CG-CA 3.49Å; Y195-G199 WeakPolarHBondContact O-CA 3.31Å; Y195-G199 PolarHBondContact O-N 2.89Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.31Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.84Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 PolarHBondContact O-N 3Å; G199-L203 PolarHBondContact O-N 3.43Å
200	K	92.6	Very high	94.8	Very high	109 Å²	109	70 Å²	70	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-49	-44.9	-171.2	-176.1	173.6	-174.2	171.5	0	114.1	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.2Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.22Å; K200-T202 PolarHBondContact O-N 2.79Å; K200-Q204 WeakPolarHBondContact O-CB 3.29Å; K200-Q204 PolarHBondContact O-N 2.85Å; K200-Q204 VanDerWaalsContact O-N 3.14Å
201	E	90.9	Very high	94.8	Very high	178 Å²	178	65.7 Å²	65.7	83%	0.832	31%	0.307	S	S	*	.	H	α-helix	trans	-65.3	-23.3	180	-63.2	-173.8	165.8	0	0	113.7	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.84Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202	T	90.6	Very high	94.6	Very high	46 Å²	46	66.1 Å²	66.1	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-104	-41.9	-178	-54	0	0	0	0	112.5	G199 K200 R205	G199-T202 PolarHBondContact O-N 3Å; K200-T202 PolarHBondContact O-N 2.79Å; T202-R205 WeakPolarHBondContact O-CD 3.28Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 2.87Å
203	L	91.1	Very high	94.4	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-86.2	-29.1	-172.7	-62.7	172.7	0	0	0	112.8	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.47Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.07Å; W75-L203 HydrophobicContact CZ2-CG 4.33Å; Y195-L203 WeakPolarHBondContact O-CD1 3.3Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å; G199-L203 PolarHBondContact O-N 3.43Å
204	Q	89.3	Confident	94.3	Very high	88 Å²	88	63.3 Å²	63.3	41%	0.411	31%	0.306	S	S	.	.	S	Bend	trans	-104.1	14.7	177.8	-57.3	177.3	32.4	0	0	111.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.88Å; L196-Q204 VanDerWaalsContact O-NE2 3.12Å; K200-Q204 WeakPolarHBondContact O-CB 3.29Å; K200-Q204 PolarHBondContact O-N 2.85Å; K200-Q204 VanDerWaalsContact O-N 3.14Å
205	R	91.6	Very high	94.2	Very high	77 Å²	77	60.3 Å²	60.3	29%	0.291	30%	0.297	S	S	.	.			trans	-78	155.2	171.6	81.3	-172.2	171.7	178.7	4.3	109.5	T202 D207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.28Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 2.87Å; R205-D207 IonicContact CZ-OD2 3.84Å; R205-D207 IonicContact NE-OD2 3.06Å; R205-D207 PolarHBondContact NE-OD2 3.25Å; R205-Y233 HydrophobicContact CG-CD1 3.72Å; R205-Y233 HydrophobicContact CG-CE1 4.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å
206	T	92.7	Very high	94	Very high	54 Å²	54	64 Å²	64	33%	0.331	31%	0.314	S	S	.	.			trans	-133.8	114.1	170.9	-31.9	0	0	0	0	108.5	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.38Å; T206-E288 HydrophobicContact CG2-CB 3.93Å; T206-E288 HydrophobicContact CG2-CG 4.11Å
207	D	94.9	Very high	93.8	Very high	51 Å²	51	68 Å²	68	27%	0.273	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-102.6	113.8	-179.9	-65.1	-38.7	0	0	0	108	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.84Å; R205-D207 IonicContact NE-OD2 3.06Å; R205-D207 PolarHBondContact NE-OD2 3.25Å; D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.36Å; D207-Y233 PolarHBondContact N-O 2.83Å; D207-Y233 PolarHBondContact O-N 3.23Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; D207-H287 PolarHBondContact O-CE1 2.89Å
208	P	96.7	Very high	93.6	Very high	66 Å²	66	66.6 Å²	66.6	43%	0.429	34%	0.336	S	S	.	.			trans	-68.6	146.3	-178.6	25.8	-33	0	0	0	111.7	K210 L290	P208-K210 PolarHBondContact O-N 2.92Å; P208-L290 HydrophobicContact CB-CD2 3.9Å
209	P	97.7	Very high	93.4	Very high	9 Å²	9	66.8 Å²	66.8	6%	0.058	34%	0.342	C	S	.	.			trans	-65.7	133.4	178.9	27	-34.8	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.14Å; P209-T211 HydrophobicContact CG-CG2 4.3Å; P209-T211 PolarHBondContact O-N 2.71Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.12Å; P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.05Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.18Å
210	K	97.7	Very high	93.2	Very high	157 Å²	157	73.9 Å²	73.9	68%	0.683	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	106.7	164.5	-64.1	175.5	-172.8	169.2	0	108.2	P208 L230	P208-K210 PolarHBondContact O-N 2.92Å; K210-L230 PolarHBondContact N-O 2.96Å; K210-L230 PolarHBondContact O-N 3.38Å
211	T	96.8	Very high	93.1	Very high	40 Å²	40	75.5 Å²	75.5	25%	0.245	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.2	-174.9	55.9	0	0	0	0	112.3	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.14Å; P209-T211 HydrophobicContact CG-CG2 4.3Å; P209-T211 PolarHBondContact O-N 2.71Å; T211-W228 WeakPolarHBondContact CA-O 3.32Å; T211-A229 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.2Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 HydrophobicContact CG2-CD1 4.16Å
212	H	94.3	Very high	93.2	Very high	79 Å²	79	71.4 Å²	71.4	37%	0.366	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	164.8	169.9	68.4	-77.5	0	0	0	110.6	W228	H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.16Å; H212-W228 AromaticContact CE1-CD1 3.82Å; H212-W228 AromaticContact CE1-CG 3.52Å; H212-W228 PolarHBondContact N-O 3.44Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.61Å; H212-W228 PolarHBondContact O-N 2.88Å
213	M	94.9	Very high	93.4	Very high	26 Å²	26	69.2 Å²	69.2	13%	0.128	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.5	179.4	-159.8	172.4	-61.8	0	0	110.4	L225 R226 W241 C283 L296 R297 W298	M213-L225 HydrophobicContact SD-CD1 4.43Å; M213-L225 HydrophobicContact SD-CD2 4.27Å; M213-R226 CarbonylContact C-O 3.54Å; M213-R226 WeakPolarHBondContact CA-O 3.34Å; M213-W241 HydrophobicContact CE-CH2 3.74Å; M213-W241 HydrophobicContact CE-CZ3 4.28Å; M213-W241 HydrophobicContact CG-CH2 4.48Å; M213-W241 HydrophobicContact SD-CH2 3.76Å; M213-C283 HydrophobicContact CE-CB 4.3Å; M213-L296 HydrophobicContact CE-CB 3.73Å; M213-R297 VanDerWaalsContact CE-C 3.49Å; M213-W298 HydrophobicContact CB-CE3 4.08Å; M213-W298 HydrophobicContact CB-CZ3 4.45Å; M213-W298 HydrophobicContact CG-CE3 3.95Å; M213-W298 WeakPolarHBondContact SD-CA 3.46Å; M213-W298 HydrophobicContact SD-CB 3.65Å; M213-W298 HydrophobicContact SD-CE3 4.05Å; M213-W298 PolarHBondContact SD-N 3.31Å; M213-W298 VanDerWaalsContact SD-N 3.4Å
214	T	94.1	Very high	93.6	Very high	33 Å²	33	70.1 Å²	70.1	20%	0.202	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.6	176.3	51.6	0	0	0	0	109.2	H216 R226 W228	T214-H216 VanDerWaalsContact CB-CE1 3.49Å; T214-H216 WeakPolarHBondContact CB-CE1 3.28Å; T214-H216 PolarHBondContact OG1-CE1 3.38Å; T214-R226 PolarHBondContact N-O 3.06Å; T214-R226 PolarHBondContact O-N 3.28Å; T214-R226 WeakPolarHBondContact OG1-CB 3.29Å; T214-R226 PolarHBondContact OG1-O 3.49Å; T214-W228 PolarHBondContact OG1-NE1 3.24Å
215	H	93.5	Very high	94	Very high	57 Å²	57	65.9 Å²	65.9	26%	0.264	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.3	-177.9	172.2	-93.5	0	0	0	109.2	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.3Å; H215-T224 WeakPolarHBondContact CA-O 3.42Å; H215-L225 HydrophobicContact CB-CD2 4.06Å; H215-E278 IonicContact NE2-OE1 2.79Å; H215-W298 HydrophobicContact CB-CD2 4.21Å; H215-W298 HydrophobicContact CB-CE3 4.13Å; H215-W298 HydrophobicContact CB-CH2 3.35Å; H215-W298 HydrophobicContact CB-CZ2 3.39Å; H215-W298 HydrophobicContact CB-CZ3 3.73Å; H215-W298 AromaticContact CG-CZ2 3.92Å
216	H	92.8	Very high	94.2	Very high	79 Å²	79	64.6 Å²	64.6	37%	0.366	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	103.8	-178.6	-55.6	82.2	0	0	0	108.8	T214 I218 A223 T224 R226	T214-H216 VanDerWaalsContact CB-CE1 3.49Å; T214-H216 WeakPolarHBondContact CB-CE1 3.28Å; T214-H216 PolarHBondContact OG1-CE1 3.38Å; H216-I218 PolarHBondContact O-N 3Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; H216-T224 PolarHBondContact N-O 3.03Å; H216-T224 PolarHBondContact O-N 3.04Å; H216-R226 PolarHBondContact CE1-NH1 3.29Å
217	P	92.4	Very high	94.4	Very high	97 Å²	97	62 Å²	62	63%	0.63	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	131.6	173.5	-20.2	30.5	0	0	0	110.7
218	I	91.4	Very high	94.6	Very high	97 Å²	97	61.8 Å²	61.8	50%	0.497	32%	0.316	S	S	.	.			trans	-99.5	-45.3	173.8	-54.2	172.1	0	0	0	109.2	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3Å; I218-E222 PolarHBondContact N-O 3.03Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.42Å; I218-V272 HydrophobicContact CD1-CG1 4.01Å; I218-V272 HydrophobicContact CD1-CG2 4.12Å
219	S	91.6	Very high	94.6	Very high	54 Å²	54	58.6 Å²	58.6	38%	0.378	30%	0.296	S	S	.	.	S	Bend	trans	-148.8	-178	178.4	71.5	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.37Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 3.37Å; S219-E222 PolarHBondContact N-O 3.19Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.28Å
220	D	88.6	Confident	94.7	Very high	150 Å²	150	60.7 Å²	60.7	80%	0.802	31%	0.306	S	S	*	.	S	Bend	trans	-66.3	-9	173.2	-64.9	-21.8	0	0	0	113.4	S275	D220-S275 PolarHBondContact O-OG 3.49Å
221	H	91.4	Very high	94.6	Very high	143 Å²	143	54.4 Å²	54.4	66%	0.662	29%	0.286	S	S	*	.	S	Bend	trans	-116	-16.3	-175.5	-56.6	-43.7	0	0	0	113.6	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.37Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 3.37Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; H221-S275 PolarHBondContact O-N 3.06Å; H221-S275 PolarHBondContact O-OG 3.21Å
222	E	94.1	Very high	94.6	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.5	-171	-66.9	179	-179.5	0	0	112.1	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.03Å; S219-E222 PolarHBondContact N-O 3.19Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.28Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; E222-V273 WeakPolarHBondContact CA-O 3.31Å; E222-S275 PolarHBondContact N-OG 3.02Å
223	A	94.2	Very high	94.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.5	172.8	0	0	0	0	0	111	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.3Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; A223-V272 WeakPolarHBondContact O-CA 3.46Å; A223-V273 PolarHBondContact N-O 2.7Å; A223-V273 WeakPolarHBondContact O-CG2 3.41Å; A223-V273 PolarHBondContact O-N 2.83Å
224	T	95.9	Very high	94.6	Very high	22 Å²	22	48.7 Å²	48.7	14%	0.135	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.7	168.2	-52.5	0	0	0	0	109.7	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.42Å; H216-T224 PolarHBondContact N-O 3.03Å; H216-T224 PolarHBondContact O-N 3.04Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.42Å; T224-A270 HydrophobicContact CG2-CB 3.8Å; T224-V271 WeakPolarHBondContact CA-O 3.47Å
225	L	96.2	Very high	94.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126	162.7	-68.3	-179.9	0	0	0	109	M213 H215 W241 A270 V271 V273 E278 W298	M213-L225 HydrophobicContact SD-CD1 4.43Å; M213-L225 HydrophobicContact SD-CD2 4.27Å; H215-L225 HydrophobicContact CB-CD2 4.06Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.99Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 4.17Å; L225-W241 HydrophobicContact CD1-CZ3 4.34Å; L225-A270 CarbonylContact O-C 3.48Å; L225-A270 WeakPolarHBondContact O-CA 3.15Å; L225-V271 HydrophobicContact CB-CG2 4.21Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 2.87Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.96Å; L225-V273 HydrophobicContact CG-CG1 4.24Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.44Å; L225-W298 HydrophobicContact CD1-CB 4.31Å; L225-W298 HydrophobicContact CD2-CB 4.13Å; L225-W298 HydrophobicContact CD2-CD2 4.05Å; L225-W298 HydrophobicContact CD2-CE3 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	97	Very high	94.7	Very high	49 Å²	49	50.6 Å²	50.6	19%	0.185	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.8	176.2	-179.5	-176.4	-60.6	118.7	3.9	110.4	M213 T214 H216 W228 W268 A269 A270	M213-R226 CarbonylContact C-O 3.54Å; M213-R226 WeakPolarHBondContact CA-O 3.34Å; T214-R226 PolarHBondContact N-O 3.06Å; T214-R226 PolarHBondContact O-N 3.28Å; T214-R226 WeakPolarHBondContact OG1-CB 3.29Å; T214-R226 PolarHBondContact OG1-O 3.49Å; H216-R226 PolarHBondContact CE1-NH1 3.29Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.82Å; R226-W268 HydrophobicContact CG-CG 4.23Å; R226-A269 WeakPolarHBondContact CA-O 3.19Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.09Å
227	C	97.1	Very high	94.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.9	176.3	-176.4	0	0	0	0	109.3	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.5Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; C227-A269 PolarHBondContact N-O 2.99Å; C227-A269 PolarHBondContact O-N 3.12Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.36Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.21Å
228	W	97.8	Very high	95	Very high	46 Å²	46	44.4 Å²	44.4	17%	0.174	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.1	-179.3	-68.5	88.9	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.32Å; H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.16Å; H212-W228 AromaticContact CE1-CD1 3.82Å; H212-W228 AromaticContact CE1-CG 3.52Å; H212-W228 PolarHBondContact N-O 3.44Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.61Å; H212-W228 PolarHBondContact O-N 2.88Å; T214-W228 PolarHBondContact OG1-NE1 3.24Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-W268 HydrophobicContact CD2-CB 3.93Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.8Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.36Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å
229	A	98.1	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.2	163.1	0	0	0	0	0	107.7	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.46Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; A229-K267 PolarHBondContact N-O 2.91Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98	Very high	95.4	Very high	53 Å²	53	39.4 Å²	39.4	28%	0.277	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.6	-175.3	-58.5	179.3	0	0	0	111.3	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.96Å; K210-L230 PolarHBondContact O-N 3.38Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; L230-F232 PolarHBondContact O-N 3.29Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.1	Very high	95.8	Very high	24 Å²	24	32.4 Å²	32.4	25%	0.247	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.8	32.7	167.5	0	0	0	0	0	114	F265	G231-F265 PolarHBondContact N-O 2.83Å
232	F	96.9	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	156.7	179.6	58.7	-89.8	0	0	0	112.5	D207 P209 A229 L230 P234 I237 T257 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.36Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.12Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; L230-F232 PolarHBondContact O-N 3.29Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.23Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.69Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.06Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.95Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.19Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.99Å; F232-F265 PolarHBondContact O-N 3.45Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	94.8	Very high	96	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-151.4	134.7	173.8	-179.3	-87.8	0	0	0	109.2	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.4Å; T55-Y233 PolarHBondContact OG1-OH 2.83Å; T55-Y233 VanDerWaalsContact OG1-OH 3.1Å; R205-Y233 HydrophobicContact CG-CD1 3.72Å; R205-Y233 HydrophobicContact CG-CE1 4.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å; T206-Y233 WeakPolarHBondContact CA-O 3.38Å; D207-Y233 PolarHBondContact N-O 2.83Å; D207-Y233 PolarHBondContact O-N 3.23Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; Y233-G263 WeakPolarHBondContact CD2-O 3.17Å; Y233-F265 HydrophobicContact CD2-CD2 4.35Å; Y233-F265 AromaticContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CE2-CE2 4.29Å; Y233-H287 PolarHBondContact O-CE1 3.31Å
234	P	93.9	Very high	96	Very high	21 Å²	21	31.9 Å²	31.9	14%	0.136	16%	0.164	C	C	.	.	S	Bend	cis	-74.2	179.2	4.6	31.6	-37.4	0	0	0	113.6	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.48Å; P234-H287 PolarHBondContact O-NE2 3.07Å
235	A	95.1	Very high	95.6	Very high	14 Å²	14	33.2 Å²	33.2	12%	0.116	18%	0.182	C	C	.	.	S	Bend	trans	-70.3	-25.8	-175.7	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.13Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 PolarHBondContact OD2-N 2.04Å; A235-I237 PolarHBondContact O-N 3.43Å; A235-I237 VanDerWaalsContact O-N 3.16Å; A235-T257 HydrophobicContact CB-CG2 4.21Å; A235-T257 WeakPolarHBondContact O-CG2 3.36Å; A235-F265 HydrophobicContact CB-CD1 3.66Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.73Å
236	E	94.6	Very high	95.4	Very high	116 Å²	116	39.3 Å²	39.3	54%	0.542	21%	0.211	S	C	.	.			trans	-61.8	117.4	177.5	-170.8	58.4	-145.5	0	0	109.5	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.39Å; W23-E236 HydrophobicContact CH2-CB 4.47Å; W23-E236 HydrophobicContact CH2-CG 3.71Å; W23-E236 HydrophobicContact CZ2-CG 3.87Å; W23-E236 HydrophobicContact CZ3-CB 4.35Å; W23-E236 HydrophobicContact CZ3-CG 3.96Å; W23-E236 VanDerWaalsContact CZ3-O 3.22Å; W23-E236 WeakPolarHBondContact CZ3-O 3.47Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.48Å; E236-H287 PolarHBondContact O-CD2 2.91Å
237	I	95.4	Very high	95.2	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.041	23%	0.227	C	C	.	.			trans	-152.7	140.9	-179.4	-163.9	171.3	0	0	0	108.9	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.05Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.23Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.69Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.06Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; A235-I237 PolarHBondContact O-N 3.43Å; A235-I237 VanDerWaalsContact O-N 3.16Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; I237-K267 HydrophobicContact CG2-CB 4.15Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.34Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238	T	96	Very high	95	Very high	39 Å²	39	42.4 Å²	42.4	24%	0.239	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.9	174.7	-61.6	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; T238-Q286 PolarHBondContact N-O 3.12Å; T238-Q286 PolarHBondContact O-N 3.14Å
239	L	96.4	Very high	94.3	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.9	172.8	-86.8	62.5	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; L239-L254 HydrophobicContact CB-CD1 4.07Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; L239-H284 WeakPolarHBondContact CA-O 3.44Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CD1-CG2 4.5Å; L239-V285 HydrophobicContact CG-CG2 4.29Å
240	T	95.5	Very high	93.6	Very high	40 Å²	40	54.4 Å²	54.4	25%	0.245	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.8	179	47.7	0	0	0	0	110.9	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T240-C283 CarbonylContact O-C 3.5Å; T240-C283 WeakPolarHBondContact O-CA 3.37Å; T240-H284 PolarHBondContact N-O 3Å; T240-H284 PolarHBondContact O-N 2.82Å; T240-H284 WeakPolarHBondContact OG1-CB 3.12Å
241	W	95.9	Very high	92.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.3	172.3	-82.2	101.4	0	0	0	110.3	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.74Å; M213-W241 HydrophobicContact CE-CZ3 4.28Å; M213-W241 HydrophobicContact CG-CH2 4.48Å; M213-W241 HydrophobicContact SD-CH2 3.76Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.99Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 4.17Å; L225-W241 HydrophobicContact CD1-CZ3 4.34Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.2Å; W241-Q248 PolarHBondContact O-N 2.82Å; W241-A269 VanDerWaalsContact NE1-C 3.33Å; W241-A269 PolarHBondContact NE1-O 3Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CD2-CB 4.5Å; W241-V271 HydrophobicContact CD2-CG1 4.08Å; W241-V271 HydrophobicContact CD2-CG2 3.58Å; W241-V271 HydrophobicContact CE3-CG2 3.84Å; W241-V271 HydrophobicContact CG-CB 4.4Å; W241-V271 HydrophobicContact CG-CG1 3.51Å; W241-V271 HydrophobicContact CG-CG2 3.96Å; W241-V271 HydrophobicContact CH2-CG2 4.28Å; W241-V271 HydrophobicContact CZ2-CG2 4.05Å; W241-V271 HydrophobicContact CZ3-CG2 4.19Å; W241-T282 WeakPolarHBondContact CA-O 3.21Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.13Å; W241-C283 HydrophobicContact CH2-CB 4.04Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.06Å
242	Q	95.5	Very high	92.5	Very high	44 Å²	44	57.3 Å²	57.3	21%	0.206	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.8	172.3	-66.8	-173.5	-11.1	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.05Å; Q242-D247 VanDerWaalsContact CG-OD1 3.29Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.3Å; Q242-D247 PolarHBondContact NE2-OD1 3.26Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; Q242-T282 PolarHBondContact N-O 3.14Å; Q242-T282 PolarHBondContact O-N 2.8Å; Q242-H284 PolarHBondContact OE1-NE2 2.86Å
243	R	95.1	Very high	92.4	Very high	78 Å²	78	62.8 Å²	62.8	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.2	168	-177.8	-178.2	66	-166.6	-5.6	108.3	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.14Å; R243-E246 PolarHBondContact N-O 2.73Å; R243-E246 PolarHBondContact O-N 3.18Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-R280 WeakPolarHBondContact CA-O 3.04Å; R243-R280 HydrophobicContact CG-CB 4.26Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.99Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD2 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.24Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å
244	D	92.5	Very high	92.4	Very high	103 Å²	103	66.9 Å²	66.9	55%	0.551	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	29.7	-175.2	-57	-42.6	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 3.01Å; D244-R280 IonicContact OD1-NE 3.36Å; D244-R280 IonicContact OD2-CZ 3.38Å; D244-R280 IonicContact OD2-NE 3.68Å; D244-R280 PolarHBondContact OD2-NE 2.88Å; D244-R280 IonicContact OD2-NH2 3.33Å; D244-R280 PolarHBondContact OD2-NH2 2.96Å
245	G	88.4	Confident	92.5	Very high	50 Å²	50	67.4 Å²	67.4	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	0.2	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.14Å
246	E	92.7	Very high	92.5	Very high	129 Å²	129	74.5 Å²	74.5	60%	0.603	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.5	174.6	-63.3	-174.8	166.1	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.05Å; R243-E246 PolarHBondContact N-O 2.73Å; R243-E246 PolarHBondContact O-N 3.18Å; E246-Q248 PolarHBondContact O-NE2 3.07Å
247	D	92.4	Very high	92.6	Very high	99 Å²	99	70.9 Å²	70.9	53%	0.529	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.3	-179.6	-66.3	-27.8	0	0	0	112.4	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.29Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.3Å; Q242-D247 PolarHBondContact NE2-OD1 3.26Å
248	Q	92.1	Very high	92.6	Very high	15 Å²	15	75.2 Å²	75.2	7%	0.07	39%	0.389	C	S	.	.			trans	-109	34.2	-177.1	-58.2	-59.9	-70	0	0	112.6	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.2Å; W241-Q248 PolarHBondContact O-N 2.82Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 3.07Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.43Å; Q248-D251 PolarHBondContact O-N 3.37Å; Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.47Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.9Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	84	Confident	92.6	Very high	107 Å²	107	77.7 Å²	77.7	66%	0.656	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.6	-169.1	-45.9	0	0	0	0	114.2
250	Q	82.6	Confident	92.6	Very high	191 Å²	191	79.8 Å²	79.8	89%	0.893	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-31	-178.7	-68.1	-174.6	5.6	0	0	113.2	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.43Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	82.3	Confident	92.4	Very high	114 Å²	114	81.6 Å²	81.6	61%	0.61	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	2.8	-178.4	-57.1	-47.9	0	0	0	112.2	Q248	Q248-D251 PolarHBondContact O-N 3.37Å
252	T	90.8	Very high	92.2	Very high	23 Å²	23	86.9 Å²	86.9	14%	0.141	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.9	-179.8	-62	0	0	0	0	110.8	Q248 Q250 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.47Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.9Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.3Å; T252-A269 HydrophobicContact CG2-CB 3.95Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.37Å; T252-V271 HydrophobicContact CG2-CG1 4.33Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.27Å
253	E	94.6	Very high	92	Very high	115 Å²	115	86.8 Å²	86.8	54%	0.537	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	102.8	162.5	-172.9	-174.9	-171.3	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact O-CZ3 3.46Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.23Å; E253-A270 PolarHBondContact O-N 2.91Å
254	L	94.9	Very high	92	Very high	90 Å²	90	83.8 Å²	83.8	47%	0.471	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.7	177.1	-175.6	67.8	0	0	0	109.6	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.07Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.3Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	95.4	Very high	92.3	Very high	33 Å²	33	80 Å²	80	20%	0.2	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-86.5	151.6	174	-64.3	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.23Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.21Å; V255-K267 PolarHBondContact O-NZ 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 3.46Å
256	E	95.1	Very high	92.7	Very high	162 Å²	162	79.7 Å²	79.7	76%	0.757	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.1	148.8	167.8	-71.3	-60.1	160.8	0	0	111.6	R258	E256-R258 PolarHBondContact O-N 3.15Å
257	T	96.8	Very high	93	Very high	41 Å²	41	74.3 Å²	74.3	25%	0.252	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-67.3	130.5	175.4	-57.3	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.95Å; A235-T257 HydrophobicContact CB-CG2 4.21Å; A235-T257 WeakPolarHBondContact O-CG2 3.36Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.16Å; T257-K267 PolarHBondContact OG1-NZ 3.18Å
258	R	96.2	Very high	93.2	Very high	98 Å²	98	70.7 Å²	70.7	37%	0.37	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.6	-175.2	68.6	-167.8	-179.3	178.7	6.6	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.15Å; R258-F265 WeakPolarHBondContact O-CA 3.42Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.43Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 3.22Å
259	P	96.3	Very high	93.5	Very high	92 Å²	92	70 Å²	70	60%	0.597	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.3	177	28.4	-34.3	0	0	0	110.9	F265	P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.22Å
260	A	95.4	Very high	94.1	Very high	50 Å²	50	65 Å²	65	41%	0.413	36%	0.364	S	S	.	.			trans	-87.9	-17.5	173.4	0	0	0	0	0	113	T264	A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 PolarHBondContact N-O 2.89Å
261	G	92.1	Very high	94.8	Very high	77 Å²	77	56 Å²	56	79%	0.794	32%	0.323	S	S	*	.	S	Bend	trans	97.5	-7.9	178.7	0	0	0	0	0	114.9
262	D	91.5	Very high	95.4	Very high	114 Å²	114	54 Å²	54	61%	0.61	31%	0.314	S	S	*	.	S	Bend	trans	-105.3	14.2	176.4	61.6	-0.7	0	0	0	112.9	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.36Å; D262-T264 PolarHBondContact OD1-N 2.59Å; D262-T264 PolarHBondContact OD1-OG1 2.92Å
263	G	90.6	Very high	95.6	Very high	41 Å²	41	53 Å²	53	42%	0.423	31%	0.308	S	S	.	.	S	Bend	trans	84.1	5.9	-174	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.17Å
264	T	96.1	Very high	95.6	Very high	16 Å²	16	49.7 Å²	49.7	10%	0.098	30%	0.296	C	S	.	.			trans	-108.8	172.2	171.6	73.7	0	0	0	0	112.2	A260 D262	A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 PolarHBondContact N-O 2.89Å; D262-T264 WeakPolarHBondContact OD1-CB 3.36Å; D262-T264 PolarHBondContact OD1-N 2.59Å; D262-T264 PolarHBondContact OD1-OG1 2.92Å
265	F	97.6	Very high	95.4	Very high	23 Å²	23	48.1 Å²	48.1	10%	0.101	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.4	-177.5	-63.2	-85.3	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.53Å; G231-F265 PolarHBondContact N-O 2.83Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.19Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.99Å; F232-F265 PolarHBondContact O-N 3.45Å; Y233-F265 HydrophobicContact CD2-CD2 4.35Å; Y233-F265 AromaticContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CE2-CE2 4.29Å; A235-F265 HydrophobicContact CB-CD1 3.66Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.73Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.42Å; P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.22Å
266	Q	97.8	Very high	95	Very high	43 Å²	43	49.7 Å²	49.7	20%	0.201	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.8	174.2	44	168.4	-20.2	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.43Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 3.22Å
267	K	98.3	Very high	94.9	Very high	16 Å²	16	44.8 Å²	44.8	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.1	176.7	-161.2	-177	-171.5	70.5	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.91Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.15Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.23Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.21Å; V255-K267 PolarHBondContact O-NZ 3.47Å; T257-K267 WeakPolarHBondContact OG1-CD 3.16Å; T257-K267 PolarHBondContact OG1-NZ 3.18Å
268	W	97.6	Very high	94.7	Very high	23 Å²	23	43.9 Å²	43.9	9%	0.087	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	157.1	169.7	59.7	-98.5	0	0	0	111.3	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.82Å; R226-W268 HydrophobicContact CG-CG 4.23Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.5Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; W228-W268 HydrophobicContact CD2-CB 3.93Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.8Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.36Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact O-CZ3 3.46Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 3.46Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	97.3	Very high	94.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	174.3	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.19Å; C227-A269 PolarHBondContact N-O 2.99Å; C227-A269 PolarHBondContact O-N 3.12Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; W241-A269 VanDerWaalsContact NE1-C 3.33Å; W241-A269 PolarHBondContact NE1-O 3Å; T252-A269 HydrophobicContact CG2-CB 3.95Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	96.8	Very high	94.3	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.1	-179.9	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.8Å; L225-A270 CarbonylContact O-C 3.48Å; L225-A270 WeakPolarHBondContact O-CA 3.15Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.09Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.37Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.23Å; E253-A270 PolarHBondContact O-N 2.91Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	96.6	Very high	94.3	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.6	174.7	-72.6	0	0	0	0	109.5	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.47Å; L225-V271 HydrophobicContact CB-CG2 4.21Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 2.87Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CD2-CB 4.5Å; W241-V271 HydrophobicContact CD2-CG1 4.08Å; W241-V271 HydrophobicContact CD2-CG2 3.58Å; W241-V271 HydrophobicContact CE3-CG2 3.84Å; W241-V271 HydrophobicContact CG-CB 4.4Å; W241-V271 HydrophobicContact CG-CG1 3.51Å; W241-V271 HydrophobicContact CG-CG2 3.96Å; W241-V271 HydrophobicContact CH2-CG2 4.28Å; W241-V271 HydrophobicContact CZ2-CG2 4.05Å; W241-V271 HydrophobicContact CZ3-CG2 4.19Å; T252-V271 HydrophobicContact CG2-CG1 4.33Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.27Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.76Å; V271-Y281 HydrophobicContact CG2-CD1 4.02Å; V271-Y281 HydrophobicContact CG2-CE1 4.47Å
272	V	96.1	Very high	94.5	Very high	72 Å²	72	38.6 Å²	38.6	44%	0.436	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.2	167.8	-178.6	0	0	0	0	107.9	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.01Å; I218-V272 HydrophobicContact CD1-CG2 4.12Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; A223-V272 WeakPolarHBondContact O-CA 3.46Å
273	V	94.8	Very high	94.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.4	-177	-53.5	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.31Å; A223-V273 PolarHBondContact N-O 2.7Å; A223-V273 WeakPolarHBondContact O-CG2 3.41Å; A223-V273 PolarHBondContact O-N 2.83Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.96Å; L225-V273 HydrophobicContact CG-CG1 4.24Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.76Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.68Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.59Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å
274	P	94.6	Very high	95	Very high	46 Å²	46	32.7 Å²	32.7	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	142	170.4	-20.4	32.4	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; P274-G276 PolarHBondContact O-N 3.23Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.33Å; P274-E277 PolarHBondContact O-N 3.12Å
275	S	89.8	Confident	95	Very high	57 Å²	57	31.9 Å²	31.9	40%	0.399	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	128.4	176.5	-63.2	0	0	0	0	111.2	D220 H221 E222 E277 E278	D220-S275 PolarHBondContact O-OG 3.49Å; H221-S275 PolarHBondContact O-N 3.06Å; H221-S275 PolarHBondContact O-OG 3.21Å; E222-S275 PolarHBondContact N-OG 3.02Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.31Å
276	G	88.1	Confident	94.9	Very high	66 Å²	66	34 Å²	34	68%	0.68	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-7.6	-176.8	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.23Å; G276-E278 WeakPolarHBondContact CA-OE2 3.47Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.72Å; G276-E278 PolarHBondContact N-OE2 3.23Å
277	E	92.5	Very high	94.8	Very high	60 Å²	60	32.4 Å²	32.4	28%	0.28	18%	0.18	S	C	.	.			trans	-99.5	3.3	176	-64.5	-162.6	-163.5	0	0	113.5	P274 S275 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.33Å; P274-E277 PolarHBondContact O-N 3.12Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.13Å; E277-R280 VanDerWaalsContact CD-NH1 3.32Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 3.37Å; E277-R280 IonicContact OE1-NH1 2.79Å; E277-R280 IonicContact OE2-CZ 3.12Å; E277-R280 IonicContact OE2-NH1 2.64Å; E277-R280 PolarHBondContact OE2-NH1 3Å; E277-Y281 HydrophobicContact CB-CE2 4.36Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278	E	92	Very high	94.5	Very high	22 Å²	22	35.3 Å²	35.3	10%	0.103	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-56	-33.1	-172.2	-58.7	81.2	-179.9	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.79Å; L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.44Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.31Å; G276-E278 WeakPolarHBondContact CA-OE2 3.47Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.72Å; G276-E278 PolarHBondContact N-OE2 3.23Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.45Å; E278-Y281 PolarHBondContact O-N 3.05Å; E278-W298 HydrophobicContact CB-CB 4.23Å; E278-W298 HydrophobicContact CB-CG 4.19Å
279	Q	91.2	Very high	94.2	Very high	90 Å²	90	35.1 Å²	35.1	42%	0.421	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-69.9	-20.6	179.5	-65.5	-60.5	-39	0	0	114.2	E277 W298	E277-Q279 PolarHBondContact O-N 3.13Å; Q279-W298 PolarHBondContact NE2-O 3.5Å; Q279-W298 PolarHBondContact OE1-O 3.07Å
280	R	94	Very high	94	Very high	97 Å²	97	36.2 Å²	36.2	37%	0.366	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-76.1	-18.3	177	-61.5	175.1	66.6	-174.5	5.7	111.8	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.04Å; R243-R280 HydrophobicContact CG-CB 4.26Å; D244-R280 PolarHBondContact N-O 3.01Å; D244-R280 IonicContact OD1-NE 3.36Å; D244-R280 IonicContact OD2-CZ 3.38Å; D244-R280 IonicContact OD2-NE 3.68Å; D244-R280 PolarHBondContact OD2-NE 2.88Å; D244-R280 IonicContact OD2-NH2 3.33Å; D244-R280 PolarHBondContact OD2-NH2 2.96Å; E277-R280 VanDerWaalsContact CD-NH1 3.32Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 3.37Å; E277-R280 IonicContact OE1-NH1 2.79Å; E277-R280 IonicContact OE2-CZ 3.12Å; E277-R280 IonicContact OE2-NH1 2.64Å; E277-R280 PolarHBondContact OE2-NH1 3Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.45Å
281	Y	94.8	Very high	93.7	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.5	-178.1	-69.7	-100.7	0	0	0	111.1	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.99Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD2 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.24Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG2-CD1 4.02Å; V271-Y281 HydrophobicContact CG2-CE1 4.47Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.68Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.59Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å; E277-Y281 HydrophobicContact CB-CE2 4.36Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E278-Y281 PolarHBondContact O-N 3.05Å
282	T	96	Very high	93.5	Very high	10 Å²	10	50.1 Å²	50.1	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.7	178	59.9	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.21Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; Q242-T282 PolarHBondContact N-O 3.14Å; Q242-T282 PolarHBondContact O-N 2.8Å; T282-H284 PolarHBondContact OG1-NE2 2.86Å; T282-T295 HydrophobicContact CG2-CG2 4.34Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; T282-R297 HydrophobicContact CG2-CG 3.78Å; T282-R297 VanDerWaalsContact CG2-NE 3.32Å
283	C	96.5	Very high	93.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126	172.2	174.1	0	0	0	0	109.5	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 4.3Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.36Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.21Å; T240-C283 CarbonylContact O-C 3.5Å; T240-C283 WeakPolarHBondContact O-CA 3.37Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.13Å; W241-C283 HydrophobicContact CH2-CB 4.04Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.06Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.39Å; C283-L296 PolarHBondContact O-N 3.39Å
284	H	96	Very high	93.4	Very high	31 Å²	31	53.5 Å²	53.5	14%	0.144	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.2	177.4	-63.5	-101.5	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.44Å; T240-H284 PolarHBondContact N-O 3Å; T240-H284 PolarHBondContact O-N 2.82Å; T240-H284 WeakPolarHBondContact OG1-CB 3.12Å; Q242-H284 PolarHBondContact OE1-NE2 2.86Å; T282-H284 PolarHBondContact OG1-NE2 2.86Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; H284-T295 PolarHBondContact CE1-OG1 3.26Å; H284-T295 PolarHBondContact ND1-OG1 2.91Å
285	V	96.8	Very high	93.4	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.8	-179	-175.2	0	0	0	0	108.9	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.2Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CD1-CG2 4.5Å; L239-V285 HydrophobicContact CG-CG2 4.29Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; V285-P293 WeakPolarHBondContact O-CA 3.09Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.43Å; V285-L294 PolarHBondContact O-N 3.26Å; V285-L296 HydrophobicContact CG2-CD1 3.69Å
286	Q	96.4	Very high	93.6	Very high	67 Å²	67	53.7 Å²	53.7	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.7	173.8	-51	-179.3	25.3	0	0	108.8	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.34Å; T238-Q286 PolarHBondContact N-O 3.12Å; T238-Q286 PolarHBondContact O-N 3.14Å; Q286-P293 HydrophobicContact CG-CB 4.06Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
287	H	94.8	Very high	93.8	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.042	29%	0.29	C	S	.	.			trans	-153.3	145.9	-179.6	-172.9	-98.9	0	0	0	108.8	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.89Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.31Å; P234-H287 PolarHBondContact O-NE2 3.07Å; E236-H287 PolarHBondContact O-CD2 2.91Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 PolarHBondContact ND1-N 3.47Å; H287-G289 PolarHBondContact O-N 3.09Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.11Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.39Å
288	E	91	Very high	93.6	Very high	77 Å²	77	57.1 Å²	57.1	36%	0.36	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.3	179.6	-171.5	-177.3	179.7	0	0	112.2	W23 T206 L290	W23-E288 HydrophobicContact CE3-CB 4.14Å; T206-E288 HydrophobicContact CG2-CB 3.93Å; T206-E288 HydrophobicContact CG2-CG 4.11Å; E288-L290 PolarHBondContact O-N 3.44Å
289	G	91.5	Very high	92.9	Very high	19 Å²	19	63.1 Å²	63.1	20%	0.196	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.8	179.2	0	0	0	0	0	113.6	H287	H287-G289 PolarHBondContact ND1-N 3.47Å; H287-G289 PolarHBondContact O-N 3.09Å
290	L	93.6	Very high	91.4	Very high	23 Å²	23	64.9 Å²	64.9	12%	0.12	32%	0.324	C	S	.	.			trans	-97.4	122.7	177.7	-63.8	171.2	0	0	0	109.9	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.18Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.11Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.39Å; E288-L290 PolarHBondContact O-N 3.44Å; L290-K292 WeakPolarHBondContact CB-O 3.27Å; L290-K292 PolarHBondContact O-N 3.12Å; L290-K292 VanDerWaalsContact O-N 3.13Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 3.84Å; L290-L294 HydrophobicContact CD1-CG 3.8Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CG 3.9Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.43Å
291	P	91.3	Very high	89.3	Confident	133 Å²	133	65.1 Å²	65.1	86%	0.864	34%	0.34	S	S	*	.	S	Bend	trans	-64.2	-22.6	177.8	26.9	-35	0	0	0	112.5
292	K	91.8	Very high	86.8	Confident	165 Å²	165	69.7 Å²	69.7	72%	0.717	37%	0.374	S	S	*	.	S	Bend	trans	-146.2	149.2	173	-63.9	-176	-177.4	177.8	0	109.1	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.27Å; L290-K292 PolarHBondContact O-N 3.12Å; L290-K292 VanDerWaalsContact O-N 3.13Å; K292-L294 PolarHBondContact O-N 3.41Å
293	P	94.1	Very high	84.3	Confident	80 Å²	80	77.5 Å²	77.5	52%	0.519	41%	0.409	S	S	.	.			trans	-50.6	136.3	171.6	-28.9	36.7	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.09Å; Q286-P293 HydrophobicContact CG-CB 4.06Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
294	L	94.6	Very high	81.5	Confident	63 Å²	63	83.3 Å²	83.3	33%	0.33	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143.7	173.4	-66.8	177	0	0	0	109.8	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.43Å; V285-L294 PolarHBondContact O-N 3.26Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 3.84Å; L290-L294 HydrophobicContact CD1-CG 3.8Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CG 3.9Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.43Å; K292-L294 PolarHBondContact O-N 3.41Å
295	T	95.3	Very high	79.2	Confident	78 Å²	78	87.6 Å²	87.6	48%	0.479	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.1	171.8	-56.8	0	0	0	0	108	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.34Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; H284-T295 PolarHBondContact CE1-OG1 3.26Å; H284-T295 PolarHBondContact ND1-OG1 2.91Å
296	L	93.8	Very high	77.4	Confident	29 Å²	29	93.5 Å²	93.5	15%	0.152	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.4	177.3	-62.5	110.6	0	0	0	110	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.16Å; M213-L296 HydrophobicContact CE-CB 3.73Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.39Å; C283-L296 PolarHBondContact O-N 3.39Å; V285-L296 HydrophobicContact CG2-CD1 3.69Å
297	R	91.7	Very high	75.4	Confident	155 Å²	155	94.6 Å²	94.6	59%	0.585	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.2	167.7	-63.6	-164.2	169.9	163.9	-4	108.8	M213 T282 E299	M213-R297 VanDerWaalsContact CE-C 3.49Å; T282-R297 HydrophobicContact CG2-CG 3.78Å; T282-R297 VanDerWaalsContact CG2-NE 3.32Å; R297-E299 PolarHBondContact O-N 2.97Å
298	W	87.8	Confident	73.7	Confident	43 Å²	43	99.3 Å²	99.3	16%	0.163	54%	0.543	C	S	.	.			trans	-64.1	123.1	167.7	178.2	-121.1	0	0	0	107.9	M213 H215 L225 E278 Q279	M213-W298 HydrophobicContact CB-CE3 4.08Å; M213-W298 HydrophobicContact CB-CZ3 4.45Å; M213-W298 HydrophobicContact CG-CE3 3.95Å; M213-W298 WeakPolarHBondContact SD-CA 3.46Å; M213-W298 HydrophobicContact SD-CB 3.65Å; M213-W298 HydrophobicContact SD-CE3 4.05Å; M213-W298 PolarHBondContact SD-N 3.31Å; M213-W298 VanDerWaalsContact SD-N 3.4Å; H215-W298 HydrophobicContact CB-CD2 4.21Å; H215-W298 HydrophobicContact CB-CE3 4.13Å; H215-W298 HydrophobicContact CB-CH2 3.35Å; H215-W298 HydrophobicContact CB-CZ2 3.39Å; H215-W298 HydrophobicContact CB-CZ3 3.73Å; H215-W298 AromaticContact CG-CZ2 3.92Å; L225-W298 HydrophobicContact CD1-CB 4.31Å; L225-W298 HydrophobicContact CD2-CB 4.13Å; L225-W298 HydrophobicContact CD2-CD2 4.05Å; L225-W298 HydrophobicContact CD2-CE3 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CB 4.23Å; E278-W298 HydrophobicContact CB-CG 4.19Å; Q279-W298 PolarHBondContact NE2-O 3.5Å; Q279-W298 PolarHBondContact OE1-O 3.07Å
299	E	78.1	Confident	72.1	Confident	149 Å²	149	101.1 Å²	101.1	70%	0.696	56%	0.559	S	S	*	*			trans	-101.2	127	169.3	-73.2	-175.2	177.4	0	0	107.9	R297 S301	R297-E299 PolarHBondContact O-N 2.97Å; E299-S301 PolarHBondContact O-N 2.79Å
300	L	60.9	Low	70.7	Confident	127 Å²	127	102.3 Å²	102.3	67%	0.665	57%	0.572	S	S	*	*			trans	-65.6	11.3	176.8	-103.1	94.7	0	0	0	114	S302	L300-S302 PolarHBondContact O-N 3.39Å
301	S	49.7	Very low	69.6	Low	101 Å²	101	105.8 Å²	105.8	71%	0.706	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	81	-172.9	-164.9	0	0	0	0	111.8	E299	E299-S301 PolarHBondContact O-N 2.79Å
302	S	42.2	Very low	68.6	Low	105 Å²	105	104 Å²	104	73%	0.734	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.3	43.7	146.9	31.3	0	0	0	0	112.1	L300	L300-S302 PolarHBondContact O-N 3.39Å
303	Q	42.1	Very low	67.6	Low	174 Å²	174	98.5 Å²	98.5	81%	0.813	56%	0.557	S	S	*	*	S	Bend	trans	-84.3	132.4	146.5	-79.4	-171.3	-14	0	0	107.6	T305	Q303-T305 PolarHBondContact O-N 3.24Å
304	P	39.4	Very low	66.8	Low	122 Å²	122	96.1 Å²	96.1	79%	0.792	55%	0.547	S	S	*	.			trans	-59.6	112.4	174.4	24.9	-30.3	0	0	0	107.4	I306	P304-I306 PolarHBondContact O-N 2.97Å
305	T	47.2	Very low	66.3	Low	120 Å²	120	98.5 Å²	98.5	74%	0.736	56%	0.559	S	S	*	*			trans	-50	120.1	168.2	-35	0	0	0	0	106.5	Q303	Q303-T305 PolarHBondContact O-N 3.24Å
306	I	58.2	Low	65.6	Low	125 Å²	125	99.4 Å²	99.4	64%	0.641	56%	0.564	S	S	*	*			trans	-25	129.2	170.8	-62.4	167.2	0	0	0	109.7	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.97Å; I306-I308 VanDerWaalsContact C-N 3.35Å; I306-I308 PolarHBondContact O-N 2.96Å; I306-I311 HydrophobicContact CG2-CD1 4.08Å
307	P	55.1	Low	64.9	Low	90 Å²	90	103.6 Å²	103.6	58%	0.584	59%	0.586	S	S	*	*			trans	-65.3	96.9	-170.6	27.9	-33.8	0	0	0	109.1	V309 G310	P307-V309 PolarHBondContact O-N 3.31Å; P307-G310 PolarHBondContact O-N 3.07Å
308	I	59.6	Low	64.3	Low	107 Å²	107	101.3 Å²	101.3	55%	0.549	59%	0.585	S	S	.	*	H	α-helix	trans	-54.2	-29.8	177.4	-67.2	166.9	0	0	0	109.6	I306 G310 I311 I312	I306-I308 VanDerWaalsContact C-N 3.35Å; I306-I308 PolarHBondContact O-N 2.96Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 2.84Å; I308-I311 PolarHBondContact O-N 3.49Å; I308-I312 HydrophobicContact CG2-CD1 3.75Å; I308-I312 HydrophobicContact CG2-CG1 4.3Å; I308-I312 VanDerWaalsContact O-CG1 3.31Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 2.94Å
309	V	55.8	Low	63.9	Low	116 Å²	116	101 Å²	101	70%	0.703	60%	0.595	S	S	*	*	H	α-helix	trans	-59.3	-39.1	173.6	-176.4	0	0	0	0	112.8	P307 A313	P307-V309 PolarHBondContact O-N 3.31Å; V309-A313 VanDerWaalsContact O-CB 3.31Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.22Å
310	G	63.1	Low	63.9	Low	44 Å²	44	96.5 Å²	96.5	45%	0.454	58%	0.584	S	S	.	*	H	α-helix	trans	-70.2	-35.9	178.8	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 PolarHBondContact O-N 3.07Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 2.84Å; G310-G314 PolarHBondContact O-N 3.24Å
311	I	69.9	Low	64.9	Low	95 Å²	95	95.4 Å²	95.4	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-70.5	-43.1	176.2	-60.5	175.9	0	0	0	110.3	I306 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.08Å; I308-I311 PolarHBondContact O-N 3.49Å; I311-G314 PolarHBondContact O-N 3.01Å; I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.45Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.41Å
312	I	70.1	Confident	66.3	Low	97 Å²	97	95.4 Å²	95.4	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-63.9	-45.9	176.8	-66.1	169.9	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.75Å; I308-I312 HydrophobicContact CG2-CG1 4.3Å; I308-I312 VanDerWaalsContact O-CG1 3.31Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 2.94Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.27Å; I312-L315 PolarHBondContact O-N 2.88Å; I312-V316 HydrophobicContact CG2-CG2 4.37Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 3.47Å
313	A	71.9	Confident	67.9	Low	49 Å²	49	94.5 Å²	94.5	41%	0.405	56%	0.563	S	S	.	*	H	α-helix	trans	-61	-41.7	176.5	0	0	0	0	0	112	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.31Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.22Å; A313-V316 PolarHBondContact O-N 2.78Å; A313-L317 WeakPolarHBondContact O-CB 3.36Å; A313-L317 WeakPolarHBondContact O-CG 2.83Å; A313-L317 PolarHBondContact O-N 3.23Å
314	G	77.3	Confident	69.5	Low	30 Å²	30	88.2 Å²	88.2	31%	0.309	55%	0.545	S	S	.	.	H	α-helix	trans	-62.5	-43.6	175.4	0	0	0	0	0	113	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 3.24Å; I311-G314 PolarHBondContact O-N 3.01Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.27Å; G314-L317 PolarHBondContact O-N 3.12Å; G314-L318 WeakPolarHBondContact O-CB 3.46Å; G314-L318 PolarHBondContact O-N 3.36Å
315	L	82.9	Confident	71.2	Confident	113 Å²	113	85.2 Å²	85.2	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-67.4	-39	178	-73.9	170.5	0	0	0	112.5	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.45Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.41Å; I312-L315 PolarHBondContact O-N 2.88Å; L315-L318 PolarHBondContact O-N 2.97Å; L315-G319 PolarHBondContact O-N 2.84Å
316	V	80.9	Confident	72.7	Confident	97 Å²	97	83.5 Å²	83.5	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-65.6	-42.5	175.9	171.8	0	0	0	0	110.8	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.37Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 3.47Å; A313-V316 PolarHBondContact O-N 2.78Å; V316-G319 PolarHBondContact O-N 2.91Å; V316-A320 WeakPolarHBondContact O-CB 3.36Å; V316-A320 PolarHBondContact O-N 3.13Å
317	L	78.9	Confident	73.5	Confident	117 Å²	117	81.5 Å²	81.5	61%	0.613	51%	0.513	S	S	*	.	H	α-helix	trans	-63.5	-44.3	175.7	-77.2	167.5	0	0	0	111.9	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.36Å; A313-L317 WeakPolarHBondContact O-CG 2.83Å; A313-L317 PolarHBondContact O-N 3.23Å; G314-L317 PolarHBondContact O-N 3.12Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 2.97Å; L317-A320 PolarHBondContact O-N 2.83Å; L317-V321 VanDerWaalsContact O-CG2 3.3Å; L317-V321 WeakPolarHBondContact O-CG2 3.42Å; L317-V321 PolarHBondContact O-N 3.41Å
318	L	79.8	Confident	74.3	Confident	106 Å²	106	79.9 Å²	79.9	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-59.9	-44.7	174	-92.4	153.1	0	0	0	111.6	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.46Å; G314-L318 PolarHBondContact O-N 3.36Å; L315-L318 PolarHBondContact O-N 2.97Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 2.83Å; L318-V321 PolarHBondContact O-N 3.46Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.37Å; L318-I322 PolarHBondContact O-N 3.22Å
319	G	79	Confident	75	Confident	36 Å²	36	77.7 Å²	77.7	37%	0.371	51%	0.505	S	S	.	.	H	α-helix	trans	-59.7	-42.7	175.8	0	0	0	0	0	112.9	L315 V316 L317 I322 T323	L315-G319 PolarHBondContact O-N 2.84Å; V316-G319 PolarHBondContact O-N 2.91Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 2.97Å; G319-I322 PolarHBondContact O-N 3.1Å; G319-T323 PolarHBondContact O-N 3.22Å; G319-T323 PolarHBondContact O-OG1 2.71Å
320	A	79.1	Confident	75.7	Confident	56 Å²	56	76.4 Å²	76.4	46%	0.463	50%	0.497	S	S	.	.	H	α-helix	trans	-66.7	-39.8	177.2	0	0	0	0	0	112.8	V316 L317 L318 T323 G324	V316-A320 WeakPolarHBondContact O-CB 3.36Å; V316-A320 PolarHBondContact O-N 3.13Å; L317-A320 PolarHBondContact O-N 2.83Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 2.83Å; A320-T323 WeakPolarHBondContact CA-OG1 3.46Å; A320-T323 PolarHBondContact O-OG1 2.8Å; A320-T323 VanDerWaalsContact O-OG1 3.12Å; A320-G324 PolarHBondContact O-N 2.68Å
321	V	81.6	Confident	76.2	Confident	103 Å²	103	80.3 Å²	80.3	62%	0.624	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-42.9	176.8	172.3	0	0	0	0	110.9	L317 L318 G324 A325	L317-V321 VanDerWaalsContact O-CG2 3.3Å; L317-V321 WeakPolarHBondContact O-CG2 3.42Å; L317-V321 PolarHBondContact O-N 3.41Å; L318-V321 PolarHBondContact O-N 3.46Å; V321-G324 PolarHBondContact O-N 3.22Å; V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.17Å
322	I	78.6	Confident	76.1	Confident	102 Å²	102	85.9 Å²	85.9	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-46.3	178.7	-67	168.5	0	0	0	110.5	L318 G319 A325 V326	L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.37Å; L318-I322 PolarHBondContact O-N 3.22Å; G319-I322 PolarHBondContact O-N 3.1Å; I322-A325 PolarHBondContact O-N 3.06Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.41Å; I322-V326 PolarHBondContact O-N 2.89Å
323	T	74.5	Confident	75.7	Confident	86 Å²	86	91 Å²	91	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-63.7	-42.1	176.7	37.3	0	0	0	0	111.9	G319 A320 A325 V326 V327	G319-T323 PolarHBondContact O-N 3.22Å; G319-T323 PolarHBondContact O-OG1 2.71Å; A320-T323 WeakPolarHBondContact CA-OG1 3.46Å; A320-T323 PolarHBondContact O-OG1 2.8Å; A320-T323 VanDerWaalsContact O-OG1 3.12Å; T323-A325 PolarHBondContact O-N 3.04Å; T323-V326 PolarHBondContact O-N 3.37Å; T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.41Å; T323-V327 PolarHBondContact O-N 3.13Å
324	G	76.3	Confident	75.1	Confident	41 Å²	41	97.5 Å²	97.5	42%	0.423	55%	0.547	S	S	.	.	H	α-helix	trans	-59.2	-44.3	173.6	0	0	0	0	0	113.1	A320 V321 V327 A328	A320-G324 PolarHBondContact O-N 2.68Å; V321-G324 PolarHBondContact O-N 3.22Å; G324-V327 PolarHBondContact O-N 3.41Å; G324-A328 WeakPolarHBondContact O-CB 3.18Å; G324-A328 PolarHBondContact O-N 2.84Å
325	A	76.1	Confident	73.9	Confident	60 Å²	60	102.4 Å²	102.4	50%	0.496	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-40	177.3	0	0	0	0	0	112.5	V321 I322 T323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.17Å; I322-A325 PolarHBondContact O-N 3.06Å; T323-A325 PolarHBondContact O-N 3.04Å; A325-A328 PolarHBondContact O-N 2.94Å; A325-A329 VanDerWaalsContact O-CB 3.32Å; A325-A329 WeakPolarHBondContact O-CB 3.04Å; A325-A329 PolarHBondContact O-N 3.28Å
326	V	77.6	Confident	72.5	Confident	84 Å²	84	101.1 Å²	101.1	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-65.2	-44.6	175.8	172.1	0	0	0	0	110.9	I322 T323 A329 V330	I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.41Å; I322-V326 PolarHBondContact O-N 2.89Å; T323-V326 PolarHBondContact O-N 3.37Å; V326-A329 PolarHBondContact O-N 3.07Å; V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.35Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.36Å; V326-V330 PolarHBondContact O-N 3.45Å
327	V	75.8	Confident	71	Confident	82 Å²	82	100.3 Å²	100.3	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-63	-44.2	177.2	172.6	0	0	0	0	110.8	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.41Å; T323-V327 PolarHBondContact O-N 3.13Å; G324-V327 PolarHBondContact O-N 3.41Å; V327-A329 PolarHBondContact O-N 2.94Å; V327-V330 PolarHBondContact O-N 3.38Å; V327-M331 HydrophobicContact CG1-CG 4.41Å; V327-M331 HydrophobicContact CG1-SD 4.09Å; V327-M331 WeakPolarHBondContact O-CB 2.91Å; V327-M331 WeakPolarHBondContact O-CG 3.32Å; V327-M331 PolarHBondContact O-N 3.38Å
328	A	72.6	Confident	69.5	Low	57 Å²	57	101.1 Å²	101.1	47%	0.471	57%	0.571	S	S	.	*	H	α-helix	trans	-61.8	-42.7	176.1	0	0	0	0	0	112.1	G324 A325 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.18Å; G324-A328 PolarHBondContact O-N 2.84Å; A325-A328 PolarHBondContact O-N 2.94Å; A328-M331 PolarHBondContact O-N 3.14Å; A328-W332 WeakPolarHBondContact O-CB 3.31Å; A328-W332 PolarHBondContact O-N 3.12Å
329	A	72.5	Confident	67.9	Low	61 Å²	61	107.4 Å²	107.4	50%	0.504	59%	0.587	S	S	.	*	H	α-helix	trans	-64.9	-40.8	176.1	0	0	0	0	0	112.4	A325 V326 V327 W332 R333	A325-A329 VanDerWaalsContact O-CB 3.32Å; A325-A329 WeakPolarHBondContact O-CB 3.04Å; A325-A329 PolarHBondContact O-N 3.28Å; V326-A329 PolarHBondContact O-N 3.07Å; V327-A329 PolarHBondContact O-N 2.94Å; A329-W332 PolarHBondContact O-N 2.73Å; A329-R333 WeakPolarHBondContact O-CB 3.49Å; A329-R333 PolarHBondContact O-N 3.21Å
330	V	72.3	Confident	65.9	Low	88 Å²	88	115.2 Å²	115.2	53%	0.533	61%	0.611	S	S	.	*	H	α-helix	trans	-66.5	-42.6	176.3	170.3	0	0	0	0	111.2	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.35Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.36Å; V326-V330 PolarHBondContact O-N 3.45Å; V327-V330 PolarHBondContact O-N 3.38Å; V330-R333 PolarHBondContact O-N 3.01Å; V330-R334 WeakPolarHBondContact O-CB 3.25Å; V330-R334 PolarHBondContact O-N 3.02Å
331	M	72.1	Confident	63.8	Low	127 Å²	127	116.8 Å²	116.8	63%	0.626	63%	0.632	S	S	*	*	H	α-helix	trans	-64.9	-40.2	175.8	-74	-176.4	67.8	0	0	112	V327 A328 R333 R334 N335	V327-M331 HydrophobicContact CG1-CG 4.41Å; V327-M331 HydrophobicContact CG1-SD 4.09Å; V327-M331 WeakPolarHBondContact O-CB 2.91Å; V327-M331 WeakPolarHBondContact O-CG 3.32Å; V327-M331 PolarHBondContact O-N 3.38Å; A328-M331 PolarHBondContact O-N 3.14Å; M331-R333 VanDerWaalsContact C-N 3.32Å; M331-R333 PolarHBondContact O-N 3.1Å; M331-R334 PolarHBondContact O-N 2.98Å; M331-N335 WeakPolarHBondContact O-CB 3.44Å; M331-N335 PolarHBondContact O-N 3.25Å
332	W	68.5	Low	61.5	Low	212 Å²	212	115.4 Å²	115.4	80%	0.803	64%	0.639	S	S	*	*	H	α-helix	trans	-61	-44.2	173.4	-162.5	-48.3	0	0	0	110.8	A328 A329 R334 N335 S336	A328-W332 WeakPolarHBondContact O-CB 3.31Å; A328-W332 PolarHBondContact O-N 3.12Å; A329-W332 PolarHBondContact O-N 2.73Å; W332-R334 VanDerWaalsContact C-N 3.33Å; W332-R334 PolarHBondContact O-N 3.2Å; W332-N335 PolarHBondContact O-N 2.9Å; W332-S336 PolarHBondContact O-N 3.33Å; W332-S336 PolarHBondContact O-OG 2.95Å
333	R	62.6	Low	59.2	Low	203 Å²	203	115.7 Å²	115.7	77%	0.766	65%	0.65	S	S	*	*	H	α-helix	trans	-63.1	-39.6	177.5	-145.5	175.3	-165.3	177.4	3.8	111.8	A329 V330 M331 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.49Å; A329-R333 PolarHBondContact O-N 3.21Å; V330-R333 PolarHBondContact O-N 3.01Å; M331-R333 VanDerWaalsContact C-N 3.32Å; M331-R333 PolarHBondContact O-N 3.1Å; R333-S336 WeakPolarHBondContact CA-OG 3.43Å; R333-S336 PolarHBondContact O-N 3.37Å; R333-S336 PolarHBondContact O-OG 2.9Å; R333-S337 PolarHBondContact O-N 2.98Å; R333-S337 PolarHBondContact O-OG 3.47Å
334	R	58.2	Low	57.3	Low	186 Å²	186	121.8 Å²	121.8	70%	0.702	67%	0.665	S	S	*	*	H	α-helix	trans	-69.3	-37.3	178.4	-162.4	174.9	176	167	-0.6	112.7	V330 M331 W332 S336 S337 D338	V330-R334 WeakPolarHBondContact O-CB 3.25Å; V330-R334 PolarHBondContact O-N 3.02Å; M331-R334 PolarHBondContact O-N 2.98Å; W332-R334 VanDerWaalsContact C-N 3.33Å; W332-R334 PolarHBondContact O-N 3.2Å; R334-S336 VanDerWaalsContact C-N 3.32Å; R334-S337 WeakPolarHBondContact CA-OG 3.39Å; R334-S337 PolarHBondContact O-N 3.24Å; R334-S337 PolarHBondContact O-OG 3.37Å; R334-D338 PolarHBondContact O-N 3.09Å
335	N	52.5	Low	55.3	Low	134 Å²	134	124.3 Å²	124.3	72%	0.717	68%	0.676	S	S	*	*	H	α-helix	trans	-76	-21.1	177.1	-144.3	19.1	0	0	0	112.7	M331 W332	M331-N335 WeakPolarHBondContact O-CB 3.44Å; M331-N335 PolarHBondContact O-N 3.25Å; W332-N335 PolarHBondContact O-N 2.9Å
336	S	52.8	Low	53.4	Low	86 Å²	86	130.2 Å²	130.2	60%	0.601	69%	0.693	S	S	*	*	H	α-helix	trans	-79.3	-14.9	170.1	64.8	0	0	0	0	114.2	W332 R333 R334	W332-S336 PolarHBondContact O-N 3.33Å; W332-S336 PolarHBondContact O-OG 2.95Å; R333-S336 WeakPolarHBondContact CA-OG 3.43Å; R333-S336 PolarHBondContact O-N 3.37Å; R333-S336 PolarHBondContact O-OG 2.9Å; R334-S336 VanDerWaalsContact C-N 3.32Å
337	S	50.7	Low	51.3	Low	79 Å²	79	130.6 Å²	130.6	55%	0.552	71%	0.705	S	S	*	*	H	α-helix	trans	-93.2	-15.2	176	48.8	0	0	0	0	114.6	R333 R334 R339	R333-S337 PolarHBondContact O-N 2.98Å; R333-S337 PolarHBondContact O-OG 3.47Å; R334-S337 WeakPolarHBondContact CA-OG 3.39Å; R334-S337 PolarHBondContact O-N 3.24Å; R334-S337 PolarHBondContact O-OG 3.37Å; S337-R339 PolarHBondContact O-N 3.19Å; S337-R339 VanDerWaalsContact O-N 3.12Å
338	D	47.3	Very low	49.4	Very low	134 Å²	134	131 Å²	131	72%	0.717	72%	0.717	S	S	*	*			trans	-84.9	28	-174.2	-109.1	-9.8	0	0	0	114.9	R334	R334-D338 PolarHBondContact O-N 3.09Å
339	R	44.8	Very low	47.6	Very low	238 Å²	238	133.4 Å²	133.4	90%	0.898	73%	0.73	S	S	*	*	S	Bend	trans	-114.2	28.5	173.6	-151.3	-179.8	173.4	160.9	-0.8	113.9	S337	S337-R339 PolarHBondContact O-N 3.19Å; S337-R339 VanDerWaalsContact O-N 3.12Å
340	K	38.1	Very low	46	Very low	201 Å²	201	136.1 Å²	136.1	87%	0.874	75%	0.746	S	S	*	*	S	Bend	trans	-158.3	105.7	169.8	-112.2	175.3	-175.6	-178.6	0	113.9
341	G	34.8	Very low	44.4	Very low	88 Å²	88	139.5 Å²	139.5	91%	0.907	76%	0.761	S	S	*	*			trans	66.8	140.1	149.6	0	0	0	0	0	117.3
342	G	32.5	Very low	42.9	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	77%	0.774	S	S	*	*			cis	159.2	138.2	10.5	0	0	0	0	0	108.7
343	S	31.6	Very low	41.5	Very low	107 Å²	107	134 Å²	134	75%	0.748	77%	0.772	S	S	*	*			trans	55.5	114.3	137.4	-177.9	0	0	0	0	123
344	Y	33.5	Very low	40.5	Very low	215 Å²	215	133.7 Å²	133.7	84%	0.843	78%	0.78	S	S	*	*			trans	87.6	119.3	131.3	-89.3	-97.3	0	0	0	124.7
345	S	34.7	Very low	39.3	Very low	93 Å²	93	128 Å²	128	65%	0.65	78%	0.779	S	S	*	*			trans	73.5	113.1	130.1	54.7	0	0	0	0	125.8
346	Q	35.9	Very low	38.6	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.864	79%	0.787	S	S	*	*				85.7	133	104.6	-158.9	173.7	2.7	0	0	123.7
347	A	33.8	Very low	38.3	Very low	91 Å²	91	131 Å²	131	75%	0.752	80%	0.798	S	S	*	*			trans	75.3	149.5	150.9	0	0	0	0	0	119.9
348	A	35.3	Very low	37.6	Very low	90 Å²	90	134.1 Å²	134.1	74%	0.744	81%	0.814	S	S	*	*			cis	-174	159.8	-11	0	0	0	0	0	109.7
349	S	36	Very low	37.4	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	81%	0.812	S	S	*	*			trans	57.2	127.1	141.8	-172.6	0	0	0	0	122.5
350	S	37.4	Very low	37.3	Very low	118 Å²	118	129.4 Å²	129.4	83%	0.825	81%	0.813	S	S	*	*				179.7	141	99.4	40	0	0	0	0	114.9
351	D	39.4	Very low	37.6	Very low	159 Å²	159	126.4 Å²	126.4	85%	0.85	81%	0.812	S	S	*	*			trans	-75.1	159.1	173.8	-81.8	-47.1	0	0	0	114.1
352	S	40.9	Very low	37.8	Very low	128 Å²	128	126.7 Å²	126.7	90%	0.895	81%	0.805	S	S	*	*				-174.1	147.3	125.2	22.4	0	0	0	0	113.4
353	A	39.9	Very low	37.9	Very low	94 Å²	94	128.6 Å²	128.6	78%	0.777	81%	0.806	S	S	*	*			trans	-94	170.8	-168.5	0	0	0	0	0	114.4
354	Q	40.4	Very low	38.5	Very low	198 Å²	198	132.5 Å²	132.5	93%	0.925	81%	0.809	S	S	*	*				151.4	133.3	102.2	-147.7	171.7	20.1	0	0	115.3
355	G	32.5	Very low	39.1	Very low	67 Å²	67	132.4 Å²	132.4	69%	0.691	83%	0.831	S	S	*	*			trans	87.4	147.1	144.9	0	0	0	0	0	119.1
356	S	39.5	Very low	39.3	Very low	125 Å²	125	134.4 Å²	134.4	87%	0.874	84%	0.84	S	S	*	*			cis	-170	148.6	-8.4	-60.3	0	0	0	0	107.4
357	D	45.4	Very low	39.4	Very low	156 Å²	156	131.7 Å²	131.7	83%	0.834	84%	0.838	S	S	*	*			trans	-66.6	151.5	174	-78.3	-47.6	0	0	0	115.1
358	V	36.7	Very low	39.8	Very low	145 Å²	145	134 Å²	134	88%	0.879	84%	0.843	S	S	*	*			trans	-155.1	125.7	139.3	169.7	0	0	0	0	111
359	S	42.3	Very low	40	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	85%	0.849	S	S	*	*			trans	-88.6	155	166.1	-49.6	0	0	0	0	111.4
360	L	42.4	Very low	40.3	Very low	176 Å²	176	138.3 Å²	138.3	92%	0.921	85%	0.854	S	S	*	*			trans	180	141.4	131.3	-96.3	165.6	0	0	0	112.6
361	T	44.3	Very low	40.5	Very low	137 Å²	137	139.7 Å²	139.7	84%	0.84	86%	0.856	S	S	*	*			trans	-113.2	168.2	-176.3	-21.9	0	0	0	0	110.4
362	A	39.3	Very low	40.6	Very low	94 Å²	94	138.3 Å²	138.3	78%	0.777	86%	0.857	S	S	*	*			trans	100.3	140.7	170.8	0	0	0	0	0	114.6
363	C	35.4	Very low	40.5	Very low	115 Å²	115	139.1 Å²	139.1	78%	0.777	85%	0.854	S	S	*	*			cis	-156	139.6	19.5	-114.9	0	0	0	0	108.1
364	K	43.4	Very low	40.6	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.826	86%	0.86	S	S	*	*				76	114.7	91.9	-157.7	179.5	-167.7	175.5	0	116.4
365	V	45.4	Very low	40.6	Very low	213 Å²	213	137.8 Å²	137.8	100%	1.291	85%	0.854	S	S	*	*				-141.9	0	122.5	175.7	0	0	0	0	107.3

Retrieved 365 of 365 residues in 70.9 ms (Link to these results)

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