A0A087Y8W3_POEFO Loading...

carnitine O-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087Y8W3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 771 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	37.4	Very low	101 Å²	101	88 Å²	88	50%	0.498	48%	0.48	S	S	.	.				0	50.1	0	-57.3	-149.5	-50.8	0	0	113.9	A4	M1-A4 HydrophobicContact CB-CB 3.67Å; M1-A4 HydrophobicContact CE-CB 3.59Å; M1-A4 HydrophobicContact CG-CB 3.88Å; M1-A4 HydrophobicContact SD-CB 3.24Å; M1-A4 WeakPolarHBondContact SD-CB 3.25Å
2	A	29	Very low	38.3	Very low	79 Å²	79	93.8 Å²	93.8	65%	0.653	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-25.9	141.1	0	0	0	0	0	109.2	Q6	A2-Q6 WeakPolarHBondContact O-CG 3.33Å; A2-Q6 PolarHBondContact O-N 3Å
3	E	29.4	Very low	39.2	Very low	145 Å²	145	93.1 Å²	93.1	68%	0.678	50%	0.499	S	S	*	.	H	α-helix	trans	-67.3	-34.5	174.7	-68.8	160.8	160.3	0	0	115.4	Q6 A7	E3-Q6 WeakPolarHBondContact O-CB 3.38Å; E3-Q6 PolarHBondContact O-N 2.78Å; E3-A7 WeakPolarHBondContact O-CB 3.41Å; E3-A7 PolarHBondContact O-N 2.93Å
4	A	31.1	Very low	39.6	Very low	28 Å²	28	94.9 Å²	94.9	23%	0.231	51%	0.514	C	S	.	.	H	α-helix	trans	-80.7	-25.3	-179.8	0	0	0	0	0	114	M1 Q6 A7 V8	M1-A4 HydrophobicContact CB-CB 3.67Å; M1-A4 HydrophobicContact CE-CB 3.59Å; M1-A4 HydrophobicContact CG-CB 3.88Å; M1-A4 HydrophobicContact SD-CB 3.24Å; M1-A4 WeakPolarHBondContact SD-CB 3.25Å; A4-Q6 VanDerWaalsContact C-N 3.32Å; A4-A7 PolarHBondContact O-N 3.2Å; A4-V8 WeakPolarHBondContact O-CG2 3.5Å; A4-V8 PolarHBondContact O-N 2.9Å
5	H	40.7	Very low	40.5	Very low	117 Å²	117	92 Å²	92	54%	0.542	50%	0.504	S	S	.	.	H	α-helix	trans	-73.4	-27.7	166.5	-78.5	-82.4	0	0	0	111.7	A9	H5-A9 PolarHBondContact O-N 3.33Å
6	Q	34.2	Very low	41	Very low	111 Å²	111	94.7 Å²	94.7	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-68.3	-39.1	168.3	-76.6	175.4	-37.6	0	0	111.6	A2 E3 A4 V8 A9 F10	A2-Q6 WeakPolarHBondContact O-CG 3.33Å; A2-Q6 PolarHBondContact O-N 3Å; E3-Q6 WeakPolarHBondContact O-CB 3.38Å; E3-Q6 PolarHBondContact O-N 2.78Å; A4-Q6 VanDerWaalsContact C-N 3.32Å; Q6-V8 VanDerWaalsContact C-N 3.3Å; Q6-V8 PolarHBondContact O-N 2.79Å; Q6-A9 PolarHBondContact O-N 3.34Å; Q6-F10 WeakPolarHBondContact O-CD2 3.44Å; Q6-F10 PolarHBondContact O-N 2.85Å
7	A	34.9	Very low	41.6	Very low	65 Å²	65	98.5 Å²	98.5	54%	0.537	55%	0.547	S	S	.	.	H	α-helix	trans	-67.6	-24.4	179.6	0	0	0	0	0	114.3	E3 A4	E3-A7 WeakPolarHBondContact O-CB 3.41Å; E3-A7 PolarHBondContact O-N 2.93Å; A4-A7 PolarHBondContact O-N 3.2Å
8	V	43.7	Very low	42.4	Very low	102 Å²	102	95.1 Å²	95.1	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-89.7	-21.8	174.4	-176	0	0	0	0	112	A4 Q6 F10	A4-V8 WeakPolarHBondContact O-CG2 3.5Å; A4-V8 PolarHBondContact O-N 2.9Å; Q6-V8 VanDerWaalsContact C-N 3.3Å; Q6-V8 PolarHBondContact O-N 2.79Å; V8-F10 VanDerWaalsContact C-N 3.32Å
9	A	40.3	Very low	43	Very low	0 Å²	0	96.8 Å²	96.8	0%	0	54%	0.544	C	S	.	.	H	α-helix	trans	-75.9	-22.8	174.9	0	0	0	0	0	113.1	H5 Q6 A27	H5-A9 PolarHBondContact O-N 3.33Å; Q6-A9 PolarHBondContact O-N 3.34Å; A9-A27 HydrophobicContact CB-CB 3.7Å
10	F	45.3	Very low	43.1	Very low	94 Å²	94	96.4 Å²	96.4	41%	0.412	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	84.8	-179.6	-59.1	-84.4	0	0	0	108.9	Q6 V8 F12 L23 L28	Q6-F10 WeakPolarHBondContact O-CD2 3.44Å; Q6-F10 PolarHBondContact O-N 2.85Å; V8-F10 VanDerWaalsContact C-N 3.32Å; F10-F12 PolarHBondContact O-N 3.37Å; F10-L23 HydrophobicContact CD1-CD2 3.55Å; F10-L23 HydrophobicContact CE1-CD2 3.41Å; F10-L23 VanDerWaalsContact CE1-CD2 3.41Å; F10-L23 HydrophobicContact CZ-CD2 4.33Å; F10-L28 HydrophobicContact CZ-CD2 4.34Å
11	Q	46.8	Very low	43.4	Very low	126 Å²	126	96.1 Å²	96.1	59%	0.589	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.7	160.8	-90.3	179.8	-23.4	0	0	107.5	H22	Q11-H22 HydrophobicContact CB-CB 4.3Å; Q11-H22 PolarHBondContact O-N 2.92Å
12	F	49.2	Very low	44.1	Very low	158 Å²	158	96.9 Å²	96.9	69%	0.693	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.9	168.5	62.3	-86.2	0	0	0	107.9	F10	F10-F12 PolarHBondContact O-N 3.37Å
13	T	49.4	Very low	45.3	Very low	84 Å²	84	96.8 Å²	96.8	52%	0.515	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.2	169	21.7	0	0	0	0	107.3	S15 D20	T13-S15 PolarHBondContact O-N 3.15Å; T13-D20 PolarHBondContact N-O 3.33Å; T13-D20 PolarHBondContact O-N 3.34Å; T13-D20 VanDerWaalsContact O-N 3.09Å
14	V	44.5	Very low	46.8	Very low	118 Å²	118	92.5 Å²	92.5	72%	0.715	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	105.5	173.9	-176.7	0	0	0	0	106.8
15	S	53.4	Low	48.4	Very low	52 Å²	52	98.9 Å²	98.9	36%	0.364	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	164.7	170.9	73.9	0	0	0	0	109.7	T13 D17 G18	T13-S15 PolarHBondContact O-N 3.15Å; S15-D17 PolarHBondContact O-N 3.43Å; S15-D17 VanDerWaalsContact O-N 3.07Å; S15-D17 PolarHBondContact OG-N 3.32Å; S15-G18 PolarHBondContact N-O 3.5Å; S15-G18 VanDerWaalsContact N-O 3.09Å; S15-G18 PolarHBondContact O-N 3.24Å; S15-G18 PolarHBondContact OG-O 2.86Å
16	P	48.3	Very low	49.4	Very low	135 Å²	135	99 Å²	99	88%	0.877	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.4	174.1	-23	33.9	0	0	0	113.9
17	D	51.1	Low	50.7	Low	160 Å²	160	94.7 Å²	94.7	86%	0.856	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.6	-175.5	-58.7	-43.2	0	0	0	113.9	S15	S15-D17 PolarHBondContact O-N 3.43Å; S15-D17 VanDerWaalsContact O-N 3.07Å; S15-D17 PolarHBondContact OG-N 3.32Å
18	G	55.4	Low	52.2	Low	37 Å²	37	94.5 Å²	94.5	38%	0.381	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	145.6	-174.4	175.7	0	0	0	0	0	115.5	S15	S15-G18 PolarHBondContact N-O 3.5Å; S15-G18 VanDerWaalsContact N-O 3.09Å; S15-G18 PolarHBondContact O-N 3.24Å; S15-G18 PolarHBondContact OG-O 2.86Å
19	I	54.2	Low	53.7	Low	128 Å²	128	97 Å²	97	66%	0.656	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.3	174.5	-58.7	172.2	0	0	0	107.8
20	D	44.5	Very low	54.9	Low	87 Å²	87	99.3 Å²	99.3	47%	0.465	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.2	172.9	-155.8	-0.7	0	0	0	109.6	T13	T13-D20 PolarHBondContact N-O 3.33Å; T13-D20 PolarHBondContact O-N 3.34Å; T13-D20 VanDerWaalsContact O-N 3.09Å
21	L	49.8	Very low	56	Low	91 Å²	91	98.7 Å²	98.7	48%	0.476	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	92.9	-167.8	-160.6	118.3	0	0	0	110.1	L23	L21-L23 HydrophobicContact CD2-CD1 3.67Å; L21-L23 HydrophobicContact CD2-CD2 3.91Å; L21-L23 HydrophobicContact CD2-CG 3.57Å; L21-L23 PolarHBondContact O-N 3.33Å
22	H	51.7	Low	57.4	Low	118 Å²	118	100.1 Å²	100.1	55%	0.546	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	102.2	176.5	-91.7	-84.5	0	0	0	110.6	Q11	Q11-H22 HydrophobicContact CB-CB 4.3Å; Q11-H22 PolarHBondContact O-N 2.92Å
23	L	54.1	Low	58.5	Low	76 Å²	76	94.5 Å²	94.5	40%	0.398	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109.5	174.4	-71.2	165.2	0	0	0	110.5	F10 L21 H25 L28	F10-L23 HydrophobicContact CD1-CD2 3.55Å; F10-L23 HydrophobicContact CE1-CD2 3.41Å; F10-L23 VanDerWaalsContact CE1-CD2 3.41Å; F10-L23 HydrophobicContact CZ-CD2 4.33Å; L21-L23 HydrophobicContact CD2-CD1 3.67Å; L21-L23 HydrophobicContact CD2-CD2 3.91Å; L21-L23 HydrophobicContact CD2-CG 3.57Å; L21-L23 PolarHBondContact O-N 3.33Å; L23-H25 PolarHBondContact O-N 3.11Å; L23-H25 VanDerWaalsContact O-N 3.16Å; L23-L28 HydrophobicContact CB-CD1 4.18Å; L23-L28 HydrophobicContact CD2-CD1 4.25Å
24	C	61	Low	59.3	Low	56 Å²	56	92.5 Å²	92.5	38%	0.378	49%	0.492	S	S	.	.			trans	-73.1	106.8	171.1	-178.3	0	0	0	0	109.8	E26 A27 L28	C24-E26 PolarHBondContact O-N 3.4Å; C24-A27 HydrophobicContact CB-CB 3.83Å; C24-A27 WeakPolarHBondContact O-CB 3.46Å; C24-A27 PolarHBondContact O-N 3.34Å; C24-L28 PolarHBondContact O-N 3.26Å
25	H	65	Low	60.6	Low	162 Å²	162	88.8 Å²	88.8	75%	0.75	48%	0.477	S	S	*	.	H	α-helix	trans	-54.7	-35.3	178.2	-84.1	-62.1	0	0	0	113.3	L23 L28 R29	L23-H25 PolarHBondContact O-N 3.11Å; L23-H25 VanDerWaalsContact O-N 3.16Å; H25-L28 PolarHBondContact O-N 2.98Å; H25-R29 WeakPolarHBondContact O-CB 3.44Å; H25-R29 PolarHBondContact O-N 3.31Å
26	E	61.8	Low	61.7	Low	120 Å²	120	90 Å²	90	56%	0.561	48%	0.479	S	S	*	.	H	α-helix	trans	-68	-41.9	177.6	-163.5	166.8	-164	0	0	111.2	C24 R29 Q30	C24-E26 PolarHBondContact O-N 3.4Å; E26-R29 WeakPolarHBondContact O-CB 3.46Å; E26-R29 PolarHBondContact O-N 2.74Å; E26-Q30 WeakPolarHBondContact O-CG 3.27Å; E26-Q30 PolarHBondContact O-N 2.99Å
27	A	59.5	Low	62.7	Low	20 Å²	20	87.5 Å²	87.5	17%	0.165	46%	0.455	C	S	.	.	H	α-helix	trans	-64	-41.5	174.4	0	0	0	0	0	112.1	A9 C24 Q30 V31	A9-A27 HydrophobicContact CB-CB 3.7Å; C24-A27 HydrophobicContact CB-CB 3.83Å; C24-A27 WeakPolarHBondContact O-CB 3.46Å; C24-A27 PolarHBondContact O-N 3.34Å; A27-Q30 WeakPolarHBondContact O-CB 3.41Å; A27-Q30 PolarHBondContact O-N 3.12Å; A27-V31 WeakPolarHBondContact O-CG2 3.43Å; A27-V31 PolarHBondContact O-N 3.02Å
28	L	68.4	Low	63.6	Low	60 Å²	60	81.2 Å²	81.2	31%	0.314	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-42.3	174.7	-72.4	174.1	0	0	0	112.2	F10 L23 C24 H25 Q30 V31 Y32	F10-L28 HydrophobicContact CZ-CD2 4.34Å; L23-L28 HydrophobicContact CB-CD1 4.18Å; L23-L28 HydrophobicContact CD2-CD1 4.25Å; C24-L28 PolarHBondContact O-N 3.26Å; H25-L28 PolarHBondContact O-N 2.98Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 3.31Å; L28-V31 PolarHBondContact O-N 3.43Å; L28-Y32 WeakPolarHBondContact O-CB 3.36Å; L28-Y32 PolarHBondContact O-N 2.92Å
29	R	73.4	Confident	64.8	Low	156 Å²	156	87.9 Å²	87.9	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-59.4	-42.8	173.6	-178.1	-179.1	175.1	-174.8	-2.8	111.2	H25 E26 Y32 L33	H25-R29 WeakPolarHBondContact O-CB 3.44Å; H25-R29 PolarHBondContact O-N 3.31Å; E26-R29 WeakPolarHBondContact O-CB 3.46Å; E26-R29 PolarHBondContact O-N 2.74Å; R29-Y32 PolarHBondContact O-N 3.18Å; R29-L33 HydrophobicContact CG-CD1 4.03Å; R29-L33 HydrophobicContact CG-CG 4.44Å; R29-L33 WeakPolarHBondContact O-CB 3.47Å; R29-L33 WeakPolarHBondContact O-CG 3.23Å; R29-L33 PolarHBondContact O-N 3.26Å
30	Q	65.9	Low	66	Low	48 Å²	48	87.7 Å²	87.7	22%	0.224	43%	0.432	C	S	.	.	H	α-helix	trans	-63.1	-42.8	176.3	-70	-52.8	-39.1	0	0	112.5	E26 A27 L28 S34 D350	E26-Q30 WeakPolarHBondContact O-CG 3.27Å; E26-Q30 PolarHBondContact O-N 2.99Å; A27-Q30 WeakPolarHBondContact O-CB 3.41Å; A27-Q30 PolarHBondContact O-N 3.12Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 3.31Å; Q30-S34 WeakPolarHBondContact O-CB 3.4Å; Q30-S34 PolarHBondContact O-N 3.5Å; Q30-D350 PolarHBondContact NE2-OD1 3.29Å
31	V	69.5	Low	67.5	Low	81 Å²	81	85.9 Å²	85.9	49%	0.491	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-45.6	175.7	172.5	0	0	0	0	110.5	A27 L28 G35	A27-V31 WeakPolarHBondContact O-CG2 3.43Å; A27-V31 PolarHBondContact O-N 3.02Å; L28-V31 PolarHBondContact O-N 3.43Å; V31-G35 PolarHBondContact O-N 3.37Å
32	Y	75.4	Confident	68.9	Low	156 Å²	156	88.7 Å²	88.7	61%	0.612	42%	0.424	S	S	*	.	H	α-helix	trans	-60.9	-52	177.4	174.8	-99.3	0	0	0	112.5	L28 R29 S34 G35 L36	L28-Y32 WeakPolarHBondContact O-CB 3.36Å; L28-Y32 PolarHBondContact O-N 2.92Å; R29-Y32 PolarHBondContact O-N 3.18Å; Y32-S34 PolarHBondContact O-N 2.67Å; Y32-G35 WeakPolarHBondContact O-CA 3.45Å; Y32-G35 PolarHBondContact O-N 2.88Å; Y32-G35 VanDerWaalsContact O-N 3.12Å; Y32-L36 HydrophobicContact CE1-CD1 4.34Å; Y32-L36 PolarHBondContact O-N 3.48Å
33	L	73	Confident	70.4	Confident	40 Å²	40	88.1 Å²	88.1	21%	0.209	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-42.3	-179.9	-70.7	174.9	0	0	0	111.9	R29 G35 L36 H37 D350	R29-L33 HydrophobicContact CG-CD1 4.03Å; R29-L33 HydrophobicContact CG-CG 4.44Å; R29-L33 WeakPolarHBondContact O-CB 3.47Å; R29-L33 WeakPolarHBondContact O-CG 3.23Å; R29-L33 PolarHBondContact O-N 3.26Å; L33-G35 VanDerWaalsContact C-N 3.33Å; L33-G35 PolarHBondContact O-N 3.4Å; L33-L36 PolarHBondContact O-N 2.65Å; L33-H37 WeakPolarHBondContact O-CB 3.45Å; L33-H37 PolarHBondContact O-N 3.39Å; L33-D350 WeakPolarHBondContact CD1-OD1 3.2Å
34	S	66.3	Low	71.8	Confident	42 Å²	42	86 Å²	86	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-61.1	-41.6	173.2	171.2	0	0	0	0	111.4	Q30 Y32 S38 K332	Q30-S34 WeakPolarHBondContact O-CB 3.4Å; Q30-S34 PolarHBondContact O-N 3.5Å; Y32-S34 PolarHBondContact O-N 2.67Å; S34-S38 WeakPolarHBondContact O-CB 3.42Å; S34-S38 PolarHBondContact O-N 2.76Å; S34-K332 PolarHBondContact OG-NZ 2.74Å
35	G	71.1	Confident	72.6	Confident	39 Å²	39	86.6 Å²	86.6	40%	0.402	41%	0.405	S	S	.	.	H	α-helix	trans	-60.8	-49.8	175.2	0	0	0	0	0	112.6	V31 Y32 L33 H37 S38 W39	V31-G35 PolarHBondContact O-N 3.37Å; Y32-G35 WeakPolarHBondContact O-CA 3.45Å; Y32-G35 PolarHBondContact O-N 2.88Å; Y32-G35 VanDerWaalsContact O-N 3.12Å; L33-G35 VanDerWaalsContact C-N 3.33Å; L33-G35 PolarHBondContact O-N 3.4Å; G35-H37 PolarHBondContact O-N 2.94Å; G35-S38 WeakPolarHBondContact O-CB 3.43Å; G35-S38 PolarHBondContact O-N 2.87Å; G35-W39 WeakPolarHBondContact O-CB 3.49Å; G35-W39 PolarHBondContact O-N 3.1Å
36	L	76.2	Confident	73.4	Confident	78 Å²	78	85.6 Å²	85.6	41%	0.408	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-42.8	-179.7	-170.8	135	0	0	0	112.2	Y32 L33 W39 K40	Y32-L36 HydrophobicContact CE1-CD1 4.34Å; Y32-L36 PolarHBondContact O-N 3.48Å; L33-L36 PolarHBondContact O-N 2.65Å; L36-W39 PolarHBondContact O-N 3.46Å; L36-K40 WeakPolarHBondContact O-CB 3.14Å; L36-K40 PolarHBondContact O-N 3.16Å
37	H	69.7	Low	74.6	Confident	82 Å²	82	85.4 Å²	85.4	38%	0.38	40%	0.396	S	S	.	.	H	α-helix	trans	-69.2	-37.8	175.4	-75.9	173.6	0	0	0	113.2	L33 G35 W39 K40 K41 G351	L33-H37 WeakPolarHBondContact O-CB 3.45Å; L33-H37 PolarHBondContact O-N 3.39Å; G35-H37 PolarHBondContact O-N 2.94Å; H37-W39 VanDerWaalsContact C-N 3.34Å; H37-K40 PolarHBondContact O-N 2.9Å; H37-K41 WeakPolarHBondContact O-CB 3.38Å; H37-K41 PolarHBondContact O-N 3.48Å; H37-G351 PolarHBondContact CE1-O 3.39Å; H37-G351 PolarHBondContact ND1-O 3.02Å
38	S	70.9	Confident	75.8	Confident	29 Å²	29	85.4 Å²	85.4	20%	0.203	39%	0.393	C	S	.	.	H	α-helix	trans	-60.2	-46.6	172.8	-174.4	0	0	0	0	110.5	S34 G35 K41 R42	S34-S38 WeakPolarHBondContact O-CB 3.42Å; S34-S38 PolarHBondContact O-N 2.76Å; G35-S38 WeakPolarHBondContact O-CB 3.43Å; G35-S38 PolarHBondContact O-N 2.87Å; S38-K41 PolarHBondContact O-N 2.87Å; S38-R42 WeakPolarHBondContact O-CB 3.48Å; S38-R42 WeakPolarHBondContact O-CG 3.5Å; S38-R42 PolarHBondContact O-N 3.3Å
39	W	79.8	Confident	76.4	Confident	177 Å²	177	84.3 Å²	84.3	67%	0.67	40%	0.397	S	S	*	.	H	α-helix	trans	-61.2	-46.8	176	-174.6	85.7	0	0	0	112.1	G35 L36 H37 K41 R42 F43	G35-W39 WeakPolarHBondContact O-CB 3.49Å; G35-W39 PolarHBondContact O-N 3.1Å; L36-W39 PolarHBondContact O-N 3.46Å; H37-W39 VanDerWaalsContact C-N 3.34Å; W39-K41 VanDerWaalsContact C-N 3.33Å; W39-K41 PolarHBondContact O-N 3.42Å; W39-R42 PolarHBondContact O-N 3.05Å; W39-F43 WeakPolarHBondContact O-CB 3.44Å; W39-F43 PolarHBondContact O-N 3.22Å
40	K	79.1	Confident	76.9	Confident	123 Å²	123	80 Å²	80	54%	0.535	39%	0.387	S	S	.	.	H	α-helix	trans	-59.3	-42.1	175.2	-173.4	175.4	-176.8	173.6	0	112	L36 H37 V44	L36-K40 WeakPolarHBondContact O-CB 3.14Å; L36-K40 PolarHBondContact O-N 3.16Å; H37-K40 PolarHBondContact O-N 2.9Å; K40-V44 VanDerWaalsContact O-CG2 3.29Å; K40-V44 WeakPolarHBondContact O-CG2 3.39Å; K40-V44 PolarHBondContact O-N 3.27Å
41	K	75.3	Confident	77.7	Confident	50 Å²	50	80.7 Å²	80.7	22%	0.217	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-48.6	175.8	-177.4	-177.4	-178.2	-179.6	0	111	H37 S38 W39 V44 R45 D288	H37-K41 WeakPolarHBondContact O-CB 3.38Å; H37-K41 PolarHBondContact O-N 3.48Å; S38-K41 PolarHBondContact O-N 2.87Å; W39-K41 VanDerWaalsContact C-N 3.33Å; W39-K41 PolarHBondContact O-N 3.42Å; K41-V44 PolarHBondContact O-N 3.33Å; K41-R45 VanDerWaalsContact CE-CZ 3.48Å; K41-R45 PolarHBondContact O-N 3.49Å; K41-D288 VanDerWaalsContact CE-OD2 3.25Å; K41-D288 WeakPolarHBondContact CE-OD2 3.05Å; K41-D288 IonicContact NZ-OD2 3.84Å; K41-D288 PolarHBondContact NZ-OD2 2.9Å
42	R	80.1	Confident	78.4	Confident	149 Å²	149	77.7 Å²	77.7	56%	0.562	37%	0.374	S	S	*	.	H	α-helix	trans	-61.4	-42.9	177.8	-73.5	178.4	-177.8	-174.1	1.5	111.6	S38 W39 R45 F46 E330	S38-R42 WeakPolarHBondContact O-CB 3.48Å; S38-R42 WeakPolarHBondContact O-CG 3.5Å; S38-R42 PolarHBondContact O-N 3.3Å; W39-R42 PolarHBondContact O-N 3.05Å; R42-R45 PolarHBondContact O-N 3.11Å; R42-F46 WeakPolarHBondContact O-CB 3.41Å; R42-F46 PolarHBondContact O-N 2.62Å; R42-E330 IonicContact NE-OE1 3.77Å
43	F	83.8	Confident	78.7	Confident	106 Å²	106	71.9 Å²	71.9	47%	0.465	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-45.7	175.1	179.3	-99.4	0	0	0	112.1	W39 R45 F46 K47	W39-F43 WeakPolarHBondContact O-CB 3.44Å; W39-F43 PolarHBondContact O-N 3.22Å; F43-R45 PolarHBondContact O-N 3.5Å; F43-F46 PolarHBondContact O-N 3.07Å; F43-K47 HydrophobicContact CE1-CD 4.46Å; F43-K47 VanDerWaalsContact O-CB 3.27Å; F43-K47 WeakPolarHBondContact O-CB 3.46Å; F43-K47 PolarHBondContact O-N 2.99Å
44	V	82	Confident	79.3	Confident	32 Å²	32	71.2 Å²	71.2	19%	0.194	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-42.2	176.4	171	0	0	0	0	111.3	K40 K41 N48 R289	K40-V44 VanDerWaalsContact O-CG2 3.29Å; K40-V44 WeakPolarHBondContact O-CG2 3.39Å; K40-V44 PolarHBondContact O-N 3.27Å; K41-V44 PolarHBondContact O-N 3.33Å; V44-N48 VanDerWaalsContact O-CB 3.25Å; V44-N48 WeakPolarHBondContact O-CB 3.41Å; V44-N48 PolarHBondContact O-N 2.9Å; V44-R289 HydrophobicContact CG1-CB 4.2Å; V44-R289 HydrophobicContact CG1-CG 3.93Å
45	R	79.3	Confident	80.3	Confident	68 Å²	68	69.9 Å²	69.9	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-47.3	174.4	-82.1	-177.4	174.1	178.3	-5.9	111.5	K41 R42 F43 N48 G49 D288 N329	K41-R45 VanDerWaalsContact CE-CZ 3.48Å; K41-R45 PolarHBondContact O-N 3.49Å; R42-R45 PolarHBondContact O-N 3.11Å; F43-R45 PolarHBondContact O-N 3.5Å; R45-N48 PolarHBondContact O-N 3.14Å; R45-G49 PolarHBondContact O-N 3.13Å; R45-D288 VanDerWaalsContact CG-O 3.29Å; R45-D288 WeakPolarHBondContact CG-O 3.39Å; R45-D288 IonicContact CZ-OD1 2.76Å; R45-D288 PolarHBondContact NE-O 3.45Å; R45-D288 IonicContact NH2-OD1 3.19Å; R45-D288 PolarHBondContact NH2-OD1 2.86Å; R45-D288 IonicContact NH2-OD2 2.74Å; R45-D288 PolarHBondContact NH2-OD2 3.06Å; R45-N329 PolarHBondContact NH1-O 3.17Å; R45-N329 PolarHBondContact NH2-O 2.99Å
46	F	82.2	Confident	81.1	Confident	142 Å²	142	68.7 Å²	68.7	62%	0.623	33%	0.332	S	S	*	.	H	α-helix	trans	-60.3	-52.4	177	174.7	-100.3	0	0	0	111.3	R42 F43 N48 G49 V50	R42-F46 WeakPolarHBondContact O-CB 3.41Å; R42-F46 PolarHBondContact O-N 2.62Å; F43-F46 PolarHBondContact O-N 3.07Å; F46-N48 VanDerWaalsContact C-N 3.35Å; F46-N48 PolarHBondContact O-N 3.49Å; F46-G49 PolarHBondContact O-N 2.9Å; F46-V50 HydrophobicContact CE1-CG2 4.1Å; F46-V50 HydrophobicContact CE2-CG2 4.12Å; F46-V50 HydrophobicContact CZ-CG2 3.89Å; F46-V50 WeakPolarHBondContact O-CG2 3.32Å; F46-V50 PolarHBondContact O-N 3.39Å
47	K	86.2	Confident	81.5	Confident	115 Å²	115	65.7 Å²	65.7	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-54	-51.2	176.5	175	-178.8	171.7	174.5	0	111	F43 G49 V50 M51	F43-K47 HydrophobicContact CE1-CD 4.46Å; F43-K47 VanDerWaalsContact O-CB 3.27Å; F43-K47 WeakPolarHBondContact O-CB 3.46Å; F43-K47 PolarHBondContact O-N 2.99Å; K47-G49 VanDerWaalsContact C-N 3.33Å; K47-G49 PolarHBondContact O-N 2.77Å; K47-V50 PolarHBondContact O-N 3.37Å; K47-M51 VanDerWaalsContact O-CG 3.26Å; K47-M51 WeakPolarHBondContact O-CG 3.43Å; K47-M51 PolarHBondContact O-N 3.47Å
48	N	84.6	Confident	82.3	Confident	20 Å²	20	64 Å²	64	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-68.8	-34.9	-177.8	-70	-4.8	0	0	0	111.6	V44 R45 F46 M51 T52 L164 R289	V44-N48 VanDerWaalsContact O-CB 3.25Å; V44-N48 WeakPolarHBondContact O-CB 3.41Å; V44-N48 PolarHBondContact O-N 2.9Å; R45-N48 PolarHBondContact O-N 3.14Å; F46-N48 VanDerWaalsContact C-N 3.35Å; F46-N48 PolarHBondContact O-N 3.49Å; N48-M51 WeakPolarHBondContact O-CB 3.4Å; N48-M51 PolarHBondContact O-N 2.66Å; N48-T52 WeakPolarHBondContact O-CG2 3.19Å; N48-T52 PolarHBondContact O-N 2.8Å; N48-T52 PolarHBondContact O-OG1 2.98Å; N48-L164 HydrophobicContact CB-CD1 3.81Å; N48-R289 PolarHBondContact ND2-O 2.94Å
49	G	81.4	Confident	82.9	Confident	38 Å²	38	65.5 Å²	65.5	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-44.7	172.2	0	0	0	0	0	112.4	R45 F46 K47 T52 G53	R45-G49 PolarHBondContact O-N 3.13Å; F46-G49 PolarHBondContact O-N 2.9Å; K47-G49 VanDerWaalsContact C-N 3.33Å; K47-G49 PolarHBondContact O-N 2.77Å; G49-T52 WeakPolarHBondContact CA-OG1 3.41Å; G49-T52 PolarHBondContact O-N 2.97Å; G49-T52 PolarHBondContact O-OG1 3.39Å; G49-G53 PolarHBondContact O-N 3.48Å
50	V	82.5	Confident	83.1	Confident	64 Å²	64	60.3 Å²	60.3	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-48.2	172.1	174	0	0	0	0	110.3	F46 K47 T52 G53 V54	F46-V50 HydrophobicContact CE1-CG2 4.1Å; F46-V50 HydrophobicContact CE2-CG2 4.12Å; F46-V50 HydrophobicContact CZ-CG2 3.89Å; F46-V50 WeakPolarHBondContact O-CG2 3.32Å; F46-V50 PolarHBondContact O-N 3.39Å; K47-V50 PolarHBondContact O-N 3.37Å; V50-T52 VanDerWaalsContact C-N 3.34Å; V50-T52 PolarHBondContact O-N 3.27Å; V50-G53 PolarHBondContact O-N 2.8Å; V50-G53 VanDerWaalsContact O-N 3.1Å; V50-V54 HydrophobicContact CG1-CG1 4.42Å; V50-V54 WeakPolarHBondContact O-CG1 3.41Å; V50-V54 WeakPolarHBondContact O-CG2 3.49Å; V50-V54 PolarHBondContact O-N 3.18Å
51	M	83.6	Confident	83.5	Confident	63 Å²	63	55.6 Å²	55.6	31%	0.31	31%	0.307	S	S	.	.	H	α-helix	trans	-57.9	-42.4	178.5	-69.3	-62.3	-60.3	0	0	112.7	K47 N48 Y55 P59 L164	K47-M51 VanDerWaalsContact O-CG 3.26Å; K47-M51 WeakPolarHBondContact O-CG 3.43Å; K47-M51 PolarHBondContact O-N 3.47Å; N48-M51 WeakPolarHBondContact O-CB 3.4Å; N48-M51 PolarHBondContact O-N 2.66Å; M51-Y55 PolarHBondContact O-N 2.85Å; M51-P59 HydrophobicContact CE-CG 4.35Å; M51-P59 WeakPolarHBondContact SD-CD 3.3Å; M51-P59 HydrophobicContact SD-CG 3.43Å; M51-P59 WeakPolarHBondContact SD-CG 3.49Å; M51-L164 HydrophobicContact CB-CD1 4.33Å
52	T	84.3	Confident	84.1	Confident	19 Å²	19	55.7 Å²	55.7	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-72.8	-34.1	175.6	51	0	0	0	0	112.2	N48 G49 V50 V54 Y55 L164	N48-T52 WeakPolarHBondContact O-CG2 3.19Å; N48-T52 PolarHBondContact O-N 2.8Å; N48-T52 PolarHBondContact O-OG1 2.98Å; G49-T52 WeakPolarHBondContact CA-OG1 3.41Å; G49-T52 PolarHBondContact O-N 2.97Å; G49-T52 PolarHBondContact O-OG1 3.39Å; V50-T52 VanDerWaalsContact C-N 3.34Å; V50-T52 PolarHBondContact O-N 3.27Å; T52-V54 VanDerWaalsContact C-N 3.34Å; T52-V54 PolarHBondContact O-N 2.98Å; T52-Y55 WeakPolarHBondContact O-CB 3.13Å; T52-Y55 PolarHBondContact O-N 2.99Å; T52-L164 HydrophobicContact CG2-CB 3.84Å; T52-L164 HydrophobicContact CG2-CD1 4.16Å
53	G	82	Confident	84.5	Confident	33 Å²	33	53.8 Å²	53.8	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-31.7	-179.7	0	0	0	0	0	113.4	G49 V50 R124	G49-G53 PolarHBondContact O-N 3.48Å; V50-G53 PolarHBondContact O-N 2.8Å; V50-G53 VanDerWaalsContact O-N 3.1Å; G53-R124 PolarHBondContact O-NH2 2.9Å
54	V	85.4	Confident	84.8	Confident	26 Å²	26	53.2 Å²	53.2	16%	0.158	31%	0.312	C	S	.	.	S	Bend	trans	-97.6	-1.7	-179.5	-53.8	0	0	0	0	113.4	V50 T52 G57 W116 I120	V50-V54 HydrophobicContact CG1-CG1 4.42Å; V50-V54 WeakPolarHBondContact O-CG1 3.41Å; V50-V54 WeakPolarHBondContact O-CG2 3.49Å; V50-V54 PolarHBondContact O-N 3.18Å; T52-V54 VanDerWaalsContact C-N 3.34Å; T52-V54 PolarHBondContact O-N 2.98Å; V54-G57 VanDerWaalsContact O-CA 3.23Å; V54-G57 WeakPolarHBondContact O-CA 3.23Å; V54-G57 PolarHBondContact O-N 2.96Å; V54-W116 HydrophobicContact CB-CH2 3.71Å; V54-W116 HydrophobicContact CB-CZ2 4.17Å; V54-W116 HydrophobicContact CG1-CH2 3.66Å; V54-W116 HydrophobicContact CG1-CZ3 4.27Å; V54-W116 HydrophobicContact CG2-CH2 4.12Å; V54-W116 HydrophobicContact CG2-CZ2 4.32Å; V54-I120 HydrophobicContact CB-CD1 4.1Å; V54-I120 WeakPolarHBondContact O-CD1 3.37Å; V54-I120 WeakPolarHBondContact O-CG2 3.39Å
55	Y	87.8	Confident	85	Confident	15 Å²	15	53 Å²	53	6%	0.059	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	141.5	177.8	-171.8	-90	0	0	0	111.8	M51 T52 G57 R124 S159 P163 S167 F168	M51-Y55 PolarHBondContact O-N 2.85Å; T52-Y55 WeakPolarHBondContact O-CB 3.13Å; T52-Y55 PolarHBondContact O-N 2.99Å; Y55-G57 VanDerWaalsContact C-N 3.33Å; Y55-R124 PolarHBondContact O-NE 3.48Å; Y55-R124 PolarHBondContact O-NH2 3.2Å; Y55-S159 WeakPolarHBondContact CE2-O 3.34Å; Y55-S159 PolarHBondContact OH-O 3.14Å; Y55-P163 HydrophobicContact CE2-CB 4.18Å; Y55-S167 WeakPolarHBondContact CD1-O 3.29Å; Y55-F168 AromaticContact CE1-CD1 3.72Å; Y55-F168 HydrophobicContact CE1-CD1 3.72Å; Y55-F168 AromaticContact CE1-CE1 3.66Å; Y55-F168 HydrophobicContact CE1-CE1 3.66Å; Y55-F168 HydrophobicContact CE1-CG 4.23Å; Y55-F168 HydrophobicContact CE1-CZ 4.1Å; Y55-F168 AromaticContact CZ-CE1 3.87Å; Y55-F168 AromaticContact CZ-CZ 3.86Å; Y55-F168 WeakPolarHBondContact OH-CE1 3.42Å; Y55-F168 WeakPolarHBondContact OH-CE2 3.44Å; Y55-F168 WeakPolarHBondContact OH-CZ 3.34Å
56	P	86.2	Confident	85.4	Confident	14 Å²	14	50.2 Å²	50.2	9%	0.091	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	cis	-80.5	5.2	6	34.2	-37.7	0	0	0	115.7	M123 F158	P56-M123 HydrophobicContact CB-CE 4.21Å; P56-M123 HydrophobicContact CG-CB 3.69Å; P56-M123 HydrophobicContact CG-CE 3.9Å; P56-M123 HydrophobicContact CG-SD 4.48Å; P56-F158 WeakPolarHBondContact CB-O 3.5Å
57	G	85.1	Confident	85.7	Confident	14 Å²	14	46.9 Å²	46.9	14%	0.144	29%	0.292	C	S	.	.			trans	-68	174.3	172.4	0	0	0	0	0	113.5	V54 Y55	V54-G57 VanDerWaalsContact O-CA 3.23Å; V54-G57 WeakPolarHBondContact O-CA 3.23Å; V54-G57 PolarHBondContact O-N 2.96Å; Y55-G57 VanDerWaalsContact C-N 3.33Å
58	S	85.9	Confident	85.6	Confident	47 Å²	47	44.7 Å²	44.7	33%	0.329	29%	0.291	S	S	.	.			trans	-146.2	157.3	177.6	68.3	0	0	0	0	111.9	A60 G61 F62	S58-A60 PolarHBondContact O-N 2.82Å; S58-G61 WeakPolarHBondContact O-CA 3.48Å; S58-G61 PolarHBondContact O-N 3.19Å; S58-G61 PolarHBondContact OG-N 2.96Å; S58-G61 VanDerWaalsContact OG-N 3.11Å; S58-F62 PolarHBondContact O-N 3.04Å
59	P	84.2	Confident	85.5	Confident	61 Å²	61	44.5 Å²	44.5	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-32.1	173.1	-25.6	34.8	0	0	0	113.6	M51 F62 M63	M51-P59 HydrophobicContact CE-CG 4.35Å; M51-P59 WeakPolarHBondContact SD-CD 3.3Å; M51-P59 HydrophobicContact SD-CG 3.43Å; M51-P59 WeakPolarHBondContact SD-CG 3.49Å; P59-F62 WeakPolarHBondContact O-CB 3.19Å; P59-F62 PolarHBondContact O-N 3.33Å; P59-M63 PolarHBondContact O-N 3.47Å; P59-M63 VanDerWaalsContact O-N 3.09Å
60	A	85.3	Confident	85.5	Confident	67 Å²	67	45.7 Å²	45.7	55%	0.554	29%	0.285	S	S	*	.	H	α-helix	trans	-65.4	-42.2	173	0	0	0	0	0	111	S58 F62 M63 V64	S58-A60 PolarHBondContact O-N 2.82Å; A60-F62 VanDerWaalsContact C-N 3.28Å; A60-F62 PolarHBondContact O-N 3.26Å; A60-M63 PolarHBondContact O-N 2.92Å; A60-V64 WeakPolarHBondContact O-CG2 3.37Å; A60-V64 PolarHBondContact O-N 3.37Å
61	G	85.7	Confident	85.5	Confident	24 Å²	24	45.1 Å²	45.1	25%	0.247	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-36	173.2	0	0	0	0	0	112.8	S58 V64 V65	S58-G61 WeakPolarHBondContact O-CA 3.48Å; S58-G61 PolarHBondContact O-N 3.19Å; S58-G61 PolarHBondContact OG-N 2.96Å; S58-G61 VanDerWaalsContact OG-N 3.11Å; G61-V64 PolarHBondContact O-N 2.77Å; G61-V65 VanDerWaalsContact O-CG2 3.32Å; G61-V65 WeakPolarHBondContact O-CG2 3.41Å; G61-V65 PolarHBondContact O-N 3.03Å
62	F	88.8	Confident	85.2	Confident	52 Å²	52	47 Å²	47	23%	0.228	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-51	173.1	173.1	-105.4	0	0	0	111.3	S58 P59 A60 V64 V65 V66 T113 W116	S58-F62 PolarHBondContact O-N 3.04Å; P59-F62 WeakPolarHBondContact O-CB 3.19Å; P59-F62 PolarHBondContact O-N 3.33Å; A60-F62 VanDerWaalsContact C-N 3.28Å; A60-F62 PolarHBondContact O-N 3.26Å; F62-V64 VanDerWaalsContact C-N 3.32Å; F62-V64 PolarHBondContact O-N 3.48Å; F62-V65 PolarHBondContact O-N 3.44Å; F62-V66 HydrophobicContact CD2-CG2 3.91Å; F62-V66 HydrophobicContact CE1-CG2 4.18Å; F62-V66 HydrophobicContact CE2-CG2 3.52Å; F62-V66 HydrophobicContact CG-CG2 4.41Å; F62-V66 HydrophobicContact CZ-CG2 3.68Å; F62-V66 WeakPolarHBondContact O-CB 3.5Å; F62-V66 WeakPolarHBondContact O-CG2 3.36Å; F62-V66 PolarHBondContact O-N 3.16Å; F62-T113 HydrophobicContact CE2-CG2 3.94Å; F62-T113 VanDerWaalsContact CE2-OG1 3.3Å; F62-T113 WeakPolarHBondContact CE2-OG1 3.23Å; F62-W116 VanDerWaalsContact CA-CD1 3.48Å; F62-W116 HydrophobicContact CB-CD2 3.9Å; F62-W116 HydrophobicContact CB-CE3 4.46Å; F62-W116 HydrophobicContact CB-CG 4.2Å; F62-W116 HydrophobicContact CB-CH2 4.38Å; F62-W116 HydrophobicContact CB-CZ2 3.82Å; F62-W116 HydrophobicContact CD2-CB 4.21Å; F62-W116 AromaticContact CD2-CD2 3.7Å; F62-W116 HydrophobicContact CD2-CD2 3.7Å; F62-W116 AromaticContact CD2-CE3 3.71Å; F62-W116 HydrophobicContact CD2-CE3 3.71Å; F62-W116 AromaticContact CD2-CG 3.94Å; F62-W116 HydrophobicContact CD2-CG 3.94Å; F62-W116 HydrophobicContact CD2-CZ3 4.25Å; F62-W116 HydrophobicContact CE2-CE3 4.47Å; F62-W116 HydrophobicContact CG-CD2 4.29Å; F62-W116 HydrophobicContact CG-CE3 4.5Å; F62-W116 VanDerWaalsContact N-NE1 3.17Å
63	M	88.8	Confident	84.5	Confident	110 Å²	110	48.3 Å²	48.3	54%	0.542	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-42.6	178.4	-68.9	-57.5	-63.6	0	0	111.8	P59 A60 V67	P59-M63 PolarHBondContact O-N 3.47Å; P59-M63 VanDerWaalsContact O-N 3.09Å; A60-M63 PolarHBondContact O-N 2.92Å; M63-V67 HydrophobicContact CE-CG2 4.33Å; M63-V67 WeakPolarHBondContact O-CB 3.17Å; M63-V67 WeakPolarHBondContact O-CG2 3.12Å; M63-V67 PolarHBondContact O-N 2.94Å
64	V	88.7	Confident	84.1	Confident	94 Å²	94	56.7 Å²	56.7	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-60	-51.3	176.2	171.9	0	0	0	0	110.6	A60 G61 F62 V66 S68	A60-V64 WeakPolarHBondContact O-CG2 3.37Å; A60-V64 PolarHBondContact O-N 3.37Å; G61-V64 PolarHBondContact O-N 2.77Å; F62-V64 VanDerWaalsContact C-N 3.32Å; F62-V64 PolarHBondContact O-N 3.48Å; V64-V66 PolarHBondContact O-N 2.99Å; V64-S68 WeakPolarHBondContact O-CB 3.48Å; V64-S68 PolarHBondContact O-N 3.29Å; V64-S68 PolarHBondContact O-OG 3.27Å
65	V	87.8	Confident	83.3	Confident	27 Å²	27	64.3 Å²	64.3	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-46.8	-178.5	172.8	0	0	0	0	111.5	G61 F62 Y69 L115 W116 I119	G61-V65 VanDerWaalsContact O-CG2 3.32Å; G61-V65 WeakPolarHBondContact O-CG2 3.41Å; G61-V65 PolarHBondContact O-N 3.03Å; F62-V65 PolarHBondContact O-N 3.44Å; V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 3.34Å; V65-L115 HydrophobicContact CG1-CB 4.26Å; V65-L115 HydrophobicContact CG1-CD2 3.84Å; V65-L115 HydrophobicContact CG1-CG 4.11Å; V65-W116 HydrophobicContact CB-CB 4.22Å; V65-W116 HydrophobicContact CG1-CB 4.01Å; V65-I119 HydrophobicContact CG2-CD1 4.06Å
66	V	87.6	Confident	82.1	Confident	9 Å²	9	70 Å²	70	6%	0.055	37%	0.368	C	S	.	.	H	α-helix	trans	-66.6	-48.3	-178.8	173.4	0	0	0	0	111.3	F62 V64 Y69 M70 V109	F62-V66 HydrophobicContact CD2-CG2 3.91Å; F62-V66 HydrophobicContact CE1-CG2 4.18Å; F62-V66 HydrophobicContact CE2-CG2 3.52Å; F62-V66 HydrophobicContact CG-CG2 4.41Å; F62-V66 HydrophobicContact CZ-CG2 3.68Å; F62-V66 WeakPolarHBondContact O-CB 3.5Å; F62-V66 WeakPolarHBondContact O-CG2 3.36Å; F62-V66 PolarHBondContact O-N 3.16Å; V64-V66 PolarHBondContact O-N 2.99Å; V66-Y69 PolarHBondContact O-N 3.01Å; V66-M70 HydrophobicContact CG1-CG 4.3Å; V66-M70 HydrophobicContact CG1-SD 3.8Å; V66-M70 WeakPolarHBondContact O-CB 3.19Å; V66-M70 VanDerWaalsContact O-CG 3.25Å; V66-M70 WeakPolarHBondContact O-CG 3.34Å; V66-M70 PolarHBondContact O-N 3.37Å; V66-V109 HydrophobicContact CG1-CG2 4.24Å
67	V	87.5	Confident	80.9	Confident	73 Å²	73	78 Å²	78	44%	0.442	41%	0.405	S	S	.	.	H	α-helix	trans	-65.3	-45.9	179.9	173.3	0	0	0	0	110.6	M63 Y69 M70 S71	M63-V67 HydrophobicContact CE-CG2 4.33Å; M63-V67 WeakPolarHBondContact O-CB 3.17Å; M63-V67 WeakPolarHBondContact O-CG2 3.12Å; M63-V67 PolarHBondContact O-N 2.94Å; V67-Y69 VanDerWaalsContact C-N 3.3Å; V67-Y69 PolarHBondContact O-N 3.01Å; V67-M70 PolarHBondContact O-N 3.36Å; V67-S71 VanDerWaalsContact O-CB 3.3Å; V67-S71 WeakPolarHBondContact O-CB 3.27Å; V67-S71 PolarHBondContact O-N 3.04Å; V67-S71 PolarHBondContact O-OG 2.74Å; V67-S71 VanDerWaalsContact O-OG 3.07Å
68	S	84.9	Confident	79.4	Confident	68 Å²	68	82.5 Å²	82.5	48%	0.476	43%	0.425	S	S	.	.	H	α-helix	trans	-58.8	-43.1	176.5	-66.9	0	0	0	0	111.7	V64 Y72	V64-S68 WeakPolarHBondContact O-CB 3.48Å; V64-S68 PolarHBondContact O-N 3.29Å; V64-S68 PolarHBondContact O-OG 3.27Å; S68-Y72 WeakPolarHBondContact O-CB 3.46Å; S68-Y72 PolarHBondContact O-N 3.24Å
69	Y	82.7	Confident	78	Confident	17 Å²	17	83.2 Å²	83.2	7%	0.067	43%	0.425	C	S	.	.	H	α-helix	trans	-63.7	-48	176.5	178.3	-102.6	0	0	0	112.2	V65 V66 V67 Y72 N73 P80 I85 G108 V111	V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 3.34Å; V66-Y69 PolarHBondContact O-N 3.01Å; V67-Y69 VanDerWaalsContact C-N 3.3Å; V67-Y69 PolarHBondContact O-N 3.01Å; Y69-Y72 PolarHBondContact O-N 3.11Å; Y69-N73 WeakPolarHBondContact CE1-ND2 3.35Å; Y69-N73 WeakPolarHBondContact O-CB 3.43Å; Y69-N73 PolarHBondContact O-N 2.96Å; Y69-N73 PolarHBondContact OH-ND2 3.21Å; Y69-P80 HydrophobicContact CE2-CG 3.9Å; Y69-I85 WeakPolarHBondContact OH-CD1 3.48Å; Y69-G108 WeakPolarHBondContact CD1-O 3.47Å; Y69-G108 WeakPolarHBondContact CE1-O 3.29Å; Y69-V111 HydrophobicContact CE1-CB 3.83Å; Y69-V111 HydrophobicContact CE1-CG1 3.85Å; Y69-V111 HydrophobicContact CE2-CG1 4.02Å; Y69-V111 VanDerWaalsContact CZ-CG1 3.49Å; Y69-V111 WeakPolarHBondContact OH-CG1 3.18Å
70	M	81.5	Confident	76.5	Confident	63 Å²	63	84.2 Å²	84.2	31%	0.31	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-43.1	179.2	-73	-177.7	71.8	0	0	112.3	V66 V67 R74 I105 V109	V66-M70 HydrophobicContact CG1-CG 4.3Å; V66-M70 HydrophobicContact CG1-SD 3.8Å; V66-M70 WeakPolarHBondContact O-CB 3.19Å; V66-M70 VanDerWaalsContact O-CG 3.25Å; V66-M70 WeakPolarHBondContact O-CG 3.34Å; V66-M70 PolarHBondContact O-N 3.37Å; V67-M70 PolarHBondContact O-N 3.36Å; M70-R74 WeakPolarHBondContact O-CB 3.23Å; M70-R74 PolarHBondContact O-N 2.89Å; M70-I105 HydrophobicContact CE-CB 4.49Å; M70-I105 HydrophobicContact CE-CG1 4.36Å; M70-I105 HydrophobicContact CE-CG2 4.02Å; M70-V109 HydrophobicContact SD-CG2 3.91Å
71	S	81.3	Confident	75	Confident	52 Å²	52	82.4 Å²	82.4	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-46.8	174.2	-65.4	0	0	0	0	110.8	V67 N73 R74 Y75	V67-S71 VanDerWaalsContact O-CB 3.3Å; V67-S71 WeakPolarHBondContact O-CB 3.27Å; V67-S71 PolarHBondContact O-N 3.04Å; V67-S71 PolarHBondContact O-OG 2.74Å; V67-S71 VanDerWaalsContact O-OG 3.07Å; S71-N73 PolarHBondContact O-N 2.9Å; S71-R74 PolarHBondContact O-N 3.48Å; S71-Y75 WeakPolarHBondContact O-CD2 3.27Å; S71-Y75 PolarHBondContact O-N 2.89Å
72	Y	76.9	Confident	73.7	Confident	101 Å²	101	90 Å²	90	40%	0.396	45%	0.446	S	S	.	.	H	α-helix	trans	-60.4	-46.2	179.9	-171.8	-93.4	0	0	0	112.4	S68 Y69 R74 Y75 K76 L78	S68-Y72 WeakPolarHBondContact O-CB 3.46Å; S68-Y72 PolarHBondContact O-N 3.24Å; Y69-Y72 PolarHBondContact O-N 3.11Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 3.49Å; Y72-Y75 PolarHBondContact O-N 2.87Å; Y72-K76 HydrophobicContact CE2-CD 3.82Å; Y72-K76 PolarHBondContact O-N 3.45Å; Y72-L78 HydrophobicContact CE1-CB 4.48Å
73	N	70.9	Confident	72.3	Confident	48 Å²	48	88.7 Å²	88.7	26%	0.257	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-39.3	175.1	-85.1	-3	0	0	0	112.6	Y69 S71 Q77	Y69-N73 WeakPolarHBondContact CE1-ND2 3.35Å; Y69-N73 WeakPolarHBondContact O-CB 3.43Å; Y69-N73 PolarHBondContact O-N 2.96Å; Y69-N73 PolarHBondContact OH-ND2 3.21Å; S71-N73 PolarHBondContact O-N 2.9Å; N73-Q77 PolarHBondContact O-N 3.28Å
74	R	72.4	Confident	70.9	Confident	208 Å²	208	88.5 Å²	88.5	79%	0.785	45%	0.448	S	S	*	.	H	α-helix	trans	-66.1	-37.4	179.4	-175.1	173.8	-178	141.6	1	112.5	M70 S71 Y72	M70-R74 WeakPolarHBondContact O-CB 3.23Å; M70-R74 PolarHBondContact O-N 2.89Å; S71-R74 PolarHBondContact O-N 3.48Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 3.49Å
75	Y	68.8	Low	69.3	Low	186 Å²	186	86.5 Å²	86.5	73%	0.729	43%	0.433	S	S	*	.	H	α-helix	trans	-93.9	-29.8	-173.6	-75	-71.9	0	0	0	114.6	S71 Y72	S71-Y75 WeakPolarHBondContact O-CD2 3.27Å; S71-Y75 PolarHBondContact O-N 2.89Å; Y72-Y75 PolarHBondContact O-N 2.87Å
76	K	64.1	Low	68	Low	134 Å²	134	88.3 Å²	88.3	58%	0.583	45%	0.451	S	S	*	.	H	α-helix	trans	-114.8	-8.1	-172.5	-71.5	-159	176.4	-172.4	0	116.3	Y72 L78	Y72-K76 HydrophobicContact CE2-CD 3.82Å; Y72-K76 PolarHBondContact O-N 3.45Å; K76-L78 PolarHBondContact O-N 2.99Å
77	Q	60.3	Low	66.7	Low	184 Å²	184	96.8 Å²	96.8	86%	0.86	48%	0.482	S	S	*	.			trans	46.5	18.6	-178.4	-62.9	-169.1	9.7	0	0	115.9	N73	N73-Q77 PolarHBondContact O-N 3.28Å
78	L	53.4	Low	65.2	Low	108 Å²	108	97.6 Å²	97.6	57%	0.565	48%	0.483	S	S	*	.			trans	-93.7	125.5	176	-81.3	159.4	0	0	0	107.4	Y72 K76 P80	Y72-L78 HydrophobicContact CE1-CB 4.48Å; K76-L78 PolarHBondContact O-N 2.99Å; L78-P80 WeakPolarHBondContact O-CD 3.33Å
79	D	55.3	Low	63.9	Low	61 Å²	61	96 Å²	96	33%	0.326	48%	0.477	S	S	.	.			trans	-89.9	97.8	178.7	-179.3	9.7	0	0	0	110.7	S81 M82 G83	D79-S81 PolarHBondContact O-N 3.38Å; D79-S81 VanDerWaalsContact O-N 3.13Å; D79-S81 WeakPolarHBondContact OD1-CA 3.42Å; D79-S81 WeakPolarHBondContact OD1-CB 3.46Å; D79-S81 PolarHBondContact OD1-N 3.22Å; D79-S81 PolarHBondContact OD1-OG 2.79Å; D79-S81 PolarHBondContact OD2-OG 3.21Å; D79-M82 PolarHBondContact O-N 2.9Å; D79-M82 VanDerWaalsContact O-N 3.08Å; D79-G83 WeakPolarHBondContact OD2-CA 3.45Å; D79-G83 PolarHBondContact OD2-N 3.36Å
80	P	52.8	Low	62.8	Low	82 Å²	82	102.7 Å²	102.7	53%	0.532	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.5	177.6	29.8	-36.9	0	0	0	113	Y69 L78 M82	Y69-P80 HydrophobicContact CE2-CG 3.9Å; L78-P80 WeakPolarHBondContact O-CD 3.33Å; P80-M82 PolarHBondContact O-N 3.24Å
81	S	54.6	Low	61.8	Low	29 Å²	29	106.9 Å²	106.9	20%	0.203	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.8	171.3	82.6	0	0	0	0	113.2	D79 G83 L84 I85	D79-S81 PolarHBondContact O-N 3.38Å; D79-S81 VanDerWaalsContact O-N 3.13Å; D79-S81 WeakPolarHBondContact OD1-CA 3.42Å; D79-S81 WeakPolarHBondContact OD1-CB 3.46Å; D79-S81 PolarHBondContact OD1-N 3.22Å; D79-S81 PolarHBondContact OD1-OG 2.79Å; D79-S81 PolarHBondContact OD2-OG 3.21Å; S81-G83 PolarHBondContact O-N 3.13Å; S81-L84 WeakPolarHBondContact O-CB 3.44Å; S81-L84 PolarHBondContact O-N 3.03Å; S81-L84 PolarHBondContact OG-N 2.94Å; S81-I85 WeakPolarHBondContact OG-CD1 3.25Å; S81-I85 WeakPolarHBondContact OG-CG1 3.49Å; S81-I85 PolarHBondContact OG-N 3.47Å
82	M	59	Low	60.7	Low	184 Å²	184	108.9 Å²	108.9	91%	0.906	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	38.2	-176.4	-57.8	-171.7	-69.7	0	0	112.7	D79 P80	D79-M82 PolarHBondContact O-N 2.9Å; D79-M82 VanDerWaalsContact O-N 3.08Å; P80-M82 PolarHBondContact O-N 3.24Å
83	G	59.6	Low	59.6	Low	25 Å²	25	109.6 Å²	109.6	26%	0.258	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	87.9	4.4	178	0	0	0	0	0	115.6	D79 S81 I85 A86 R87	D79-G83 WeakPolarHBondContact OD2-CA 3.45Å; D79-G83 PolarHBondContact OD2-N 3.36Å; S81-G83 PolarHBondContact O-N 3.13Å; G83-I85 PolarHBondContact O-N 2.88Å; G83-A86 PolarHBondContact O-N 3.35Å; G83-R87 PolarHBondContact O-N 3.15Å
84	L	58.7	Low	58.9	Low	106 Å²	106	113 Å²	113	56%	0.555	57%	0.567	S	S	*	*	H	α-helix	trans	-60.8	-35.4	178.4	-155.1	90.4	0	0	0	111.8	S81 R87 L88	S81-L84 WeakPolarHBondContact O-CB 3.44Å; S81-L84 PolarHBondContact O-N 3.03Å; S81-L84 PolarHBondContact OG-N 2.94Å; L84-R87 PolarHBondContact O-N 3.45Å; L84-L88 HydrophobicContact CD2-CD1 3.89Å; L84-L88 HydrophobicContact CG-CD1 4.09Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3Å
85	I	55.9	Low	58.3	Low	51 Å²	51	105.2 Å²	105.2	26%	0.262	55%	0.545	S	S	.	.	H	α-helix	trans	-69.3	-41	-179.6	-65.1	166.2	0	0	0	111.6	Y69 S81 G83 R87 L88 G89 V111	Y69-I85 WeakPolarHBondContact OH-CD1 3.48Å; S81-I85 WeakPolarHBondContact OG-CD1 3.25Å; S81-I85 WeakPolarHBondContact OG-CG1 3.49Å; S81-I85 PolarHBondContact OG-N 3.47Å; G83-I85 PolarHBondContact O-N 2.88Å; I85-R87 VanDerWaalsContact C-N 3.28Å; I85-R87 PolarHBondContact O-N 2.85Å; I85-L88 PolarHBondContact O-N 2.89Å; I85-G89 PolarHBondContact O-N 3.49Å; I85-V111 HydrophobicContact CD1-CB 4.28Å; I85-V111 HydrophobicContact CD1-CG1 4.05Å; I85-V111 HydrophobicContact CD1-CG2 3.6Å; I85-V111 HydrophobicContact CG1-CG2 3.54Å
86	A	59.8	Low	57.8	Low	65 Å²	65	108 Å²	108	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-35.6	175.8	0	0	0	0	0	111.6	G83	G83-A86 PolarHBondContact O-N 3.35Å
87	R	59.8	Low	57.7	Low	187 Å²	187	112.4 Å²	112.4	71%	0.706	57%	0.569	S	S	*	*	H	α-helix	trans	-74.5	-41.9	176.1	-70.8	-176.2	-179.6	178.3	1.2	113.3	G83 L84 I85 G89 Q90 H91	G83-R87 PolarHBondContact O-N 3.15Å; L84-R87 PolarHBondContact O-N 3.45Å; I85-R87 VanDerWaalsContact C-N 3.28Å; I85-R87 PolarHBondContact O-N 2.85Å; R87-G89 VanDerWaalsContact C-N 3.34Å; R87-Q90 WeakPolarHBondContact O-CB 3.28Å; R87-Q90 PolarHBondContact O-N 3.49Å; R87-H91 PolarHBondContact O-ND1 3.24Å
88	L	56	Low	58	Low	90 Å²	90	107.6 Å²	107.6	47%	0.471	55%	0.547	S	S	.	.	H	α-helix	trans	-67.2	-35.9	175.5	-78.7	163.4	0	0	0	111.7	L84 I85 Q90 H91 I92	L84-L88 HydrophobicContact CD2-CD1 3.89Å; L84-L88 HydrophobicContact CG-CD1 4.09Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3Å; I85-L88 PolarHBondContact O-N 2.89Å; L88-Q90 PolarHBondContact O-N 3.42Å; L88-H91 PolarHBondContact O-N 2.89Å; L88-I92 WeakPolarHBondContact O-CG1 3.1Å; L88-I92 PolarHBondContact O-N 3.39Å
89	G	57.9	Low	59	Low	34 Å²	34	105.5 Å²	105.5	35%	0.351	54%	0.542	S	S	.	.	H	α-helix	trans	-61	-24.4	175.1	0	0	0	0	0	114.3	I85 R87 H91	I85-G89 PolarHBondContact O-N 3.49Å; R87-G89 VanDerWaalsContact C-N 3.34Å; G89-H91 VanDerWaalsContact C-N 3.29Å
90	Q	59.8	Low	59.7	Low	158 Å²	158	107.2 Å²	107.2	74%	0.738	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-19.9	173.1	-68	173.1	-8.6	0	0	113.2	R87 L88	R87-Q90 WeakPolarHBondContact O-CB 3.28Å; R87-Q90 PolarHBondContact O-N 3.49Å; L88-Q90 PolarHBondContact O-N 3.42Å
91	H	60.3	Low	60.5	Low	152 Å²	152	108 Å²	108	70%	0.704	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-12.8	-174.4	-64.5	68.9	0	0	0	113	R87 L88 G89	R87-H91 PolarHBondContact O-ND1 3.24Å; L88-H91 PolarHBondContact O-N 2.89Å; G89-H91 VanDerWaalsContact C-N 3.29Å
92	I	58.2	Low	61.3	Low	94 Å²	94	108.8 Å²	108.8	48%	0.482	56%	0.56	S	S	.	*	S	Bend	trans	-83.8	119.7	171.3	-65.7	161.7	0	0	0	107.1	L88 I94	L88-I92 WeakPolarHBondContact O-CG1 3.1Å; L88-I92 PolarHBondContact O-N 3.39Å; I92-I94 PolarHBondContact O-N 3.27Å
93	P	54.8	Low	61.8	Low	116 Å²	116	102.7 Å²	102.7	75%	0.753	53%	0.529	S	S	*	.			trans	-59.5	114.1	-178.6	22.6	-31.2	0	0	0	109.4	S95	P93-S95 VanDerWaalsContact C-N 3.33Å; P93-S95 PolarHBondContact O-N 3.49Å
94	I	56.4	Low	62.3	Low	118 Å²	118	110.3 Å²	110.3	61%	0.605	55%	0.55	S	S	*	*			trans	-62.2	98.1	172.4	-61.5	171.5	0	0	0	106.1	I92 R96 Q103	I92-I94 PolarHBondContact O-N 3.27Å; I94-R96 PolarHBondContact O-N 3.28Å; I94-R96 VanDerWaalsContact O-N 3.1Å; I94-Q103 VanDerWaalsContact CG2-NE2 3.26Å
95	S	58.6	Low	63.2	Low	46 Å²	46	109.7 Å²	109.7	32%	0.322	55%	0.546	S	S	.	.			trans	-59	118.9	169.8	175.6	0	0	0	0	107.6	P93 Y97 M98	P93-S95 VanDerWaalsContact C-N 3.33Å; P93-S95 PolarHBondContact O-N 3.49Å; S95-Y97 PolarHBondContact O-N 3.19Å; S95-Y97 PolarHBondContact OG-N 3.13Å; S95-M98 PolarHBondContact O-N 3.28Å; S95-M98 VanDerWaalsContact O-N 3.08Å
96	R	58.4	Low	64.2	Low	244 Å²	244	110.7 Å²	110.7	92%	0.921	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-11.2	175.1	-73.2	-176.3	176.4	179.9	-1.3	112.9	I94	I94-R96 PolarHBondContact O-N 3.28Å; I94-R96 VanDerWaalsContact O-N 3.1Å
97	Y	62.4	Low	64.9	Low	226 Å²	226	108.6 Å²	108.6	89%	0.886	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.9	-179.9	-55.6	-78.8	0	0	0	114	S95	S95-Y97 PolarHBondContact O-N 3.19Å; S95-Y97 PolarHBondContact OG-N 3.13Å
98	M	65.8	Low	65.8	Low	83 Å²	83	100 Å²	100	41%	0.409	51%	0.509	S	S	.	.	S	Bend	trans	-114.7	131.6	-179.8	-116.2	-167.1	-62.5	0	0	112	S95 Q103 V106	S95-M98 PolarHBondContact O-N 3.28Å; S95-M98 VanDerWaalsContact O-N 3.08Å; M98-Q103 HydrophobicContact CB-CG 4.23Å; M98-Q103 PolarHBondContact O-NE2 2.94Å; M98-V106 HydrophobicContact SD-CG2 4.33Å
99	S	75.6	Confident	67.1	Low	65 Å²	65	98.3 Å²	98.3	46%	0.455	50%	0.503	S	S	.	.			trans	-66	154.7	175.1	68	0	0	0	0	112.2	D101 S102 Q103	S99-D101 PolarHBondContact O-N 3.35Å; S99-S102 WeakPolarHBondContact O-CB 3.43Å; S99-S102 PolarHBondContact O-N 2.91Å; S99-S102 WeakPolarHBondContact OG-CB 3.4Å; S99-S102 PolarHBondContact OG-N 3.29Å; S99-S102 PolarHBondContact OG-OG 3.07Å; S99-Q103 WeakPolarHBondContact O-CG 3.44Å; S99-Q103 PolarHBondContact O-N 3.38Å
100	T	69.8	Low	68.2	Low	97 Å²	97	101.7 Å²	101.7	60%	0.595	51%	0.512	S	S	*	.	H	α-helix	trans	-56.8	-36.9	177.1	43.3	0	0	0	0	112.7	Q103 R104	T100-Q103 PolarHBondContact O-N 3.45Å; T100-R104 WeakPolarHBondContact O-CG 3.19Å; T100-R104 PolarHBondContact O-N 3.37Å
101	D	69.8	Low	69.2	Low	97 Å²	97	96.1 Å²	96.1	52%	0.519	49%	0.489	S	S	.	.	H	α-helix	trans	-68.4	-39	175	-70.2	-28.9	0	0	0	112.2	S99 Q103 R104 I105	S99-D101 PolarHBondContact O-N 3.35Å; D101-Q103 VanDerWaalsContact C-N 3.32Å; D101-Q103 PolarHBondContact O-N 3.25Å; D101-R104 PolarHBondContact O-N 3.06Å; D101-R104 IonicContact OD1-NH1 3.77Å; D101-I105 WeakPolarHBondContact O-CG1 3.01Å; D101-I105 PolarHBondContact O-N 3.4Å
102	S	71.1	Confident	70.4	Confident	47 Å²	47	88.9 Å²	88.9	33%	0.329	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-40.8	174	-57.3	0	0	0	0	111.2	S99 I105 V106	S99-S102 WeakPolarHBondContact O-CB 3.43Å; S99-S102 PolarHBondContact O-N 2.91Å; S99-S102 WeakPolarHBondContact OG-CB 3.4Å; S99-S102 PolarHBondContact OG-N 3.29Å; S99-S102 PolarHBondContact OG-OG 3.07Å; S102-I105 PolarHBondContact O-N 3.27Å; S102-V106 WeakPolarHBondContact O-CB 3.46Å; S102-V106 VanDerWaalsContact O-CG2 3.29Å; S102-V106 WeakPolarHBondContact O-CG2 3.43Å; S102-V106 PolarHBondContact O-N 3.35Å
103	Q	68.6	Low	71.9	Confident	56 Å²	56	86.4 Å²	86.4	26%	0.262	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-40.3	176.7	-68.4	175.7	2.2	0	0	112.3	I94 M98 S99 T100 D101 V106 G107	I94-Q103 VanDerWaalsContact CG2-NE2 3.26Å; M98-Q103 HydrophobicContact CB-CG 4.23Å; M98-Q103 PolarHBondContact O-NE2 2.94Å; S99-Q103 WeakPolarHBondContact O-CG 3.44Å; S99-Q103 PolarHBondContact O-N 3.38Å; T100-Q103 PolarHBondContact O-N 3.45Å; D101-Q103 VanDerWaalsContact C-N 3.32Å; D101-Q103 PolarHBondContact O-N 3.25Å; Q103-V106 PolarHBondContact O-N 3.22Å; Q103-G107 PolarHBondContact O-N 3.46Å
104	R	70.8	Confident	73.5	Confident	184 Å²	184	82.6 Å²	82.6	69%	0.694	43%	0.427	S	S	*	.	H	α-helix	trans	-64.6	-40.5	174.9	-73.9	172.5	176.7	171	-4	112.3	T100 D101 G108	T100-R104 WeakPolarHBondContact O-CG 3.19Å; T100-R104 PolarHBondContact O-N 3.37Å; D101-R104 PolarHBondContact O-N 3.06Å; D101-R104 IonicContact OD1-NH1 3.77Å; R104-G108 PolarHBondContact O-N 3.36Å
105	I	76.7	Confident	75	Confident	93 Å²	93	80.9 Å²	80.9	48%	0.477	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-50.5	176.1	-69.5	166.9	0	0	0	110.3	M70 D101 S102 G108 V109	M70-I105 HydrophobicContact CE-CB 4.49Å; M70-I105 HydrophobicContact CE-CG1 4.36Å; M70-I105 HydrophobicContact CE-CG2 4.02Å; D101-I105 WeakPolarHBondContact O-CG1 3.01Å; D101-I105 PolarHBondContact O-N 3.4Å; S102-I105 PolarHBondContact O-N 3.27Å; I105-G108 PolarHBondContact O-N 3.44Å; I105-V109 WeakPolarHBondContact O-CG2 3.44Å; I105-V109 PolarHBondContact O-N 3.07Å
106	V	76.9	Confident	76.5	Confident	72 Å²	72	80.1 Å²	80.1	44%	0.436	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-47.4	179.9	172.1	0	0	0	0	111.1	M98 S102 Q103 G108 V109 L110	M98-V106 HydrophobicContact SD-CG2 4.33Å; S102-V106 WeakPolarHBondContact O-CB 3.46Å; S102-V106 VanDerWaalsContact O-CG2 3.29Å; S102-V106 WeakPolarHBondContact O-CG2 3.43Å; S102-V106 PolarHBondContact O-N 3.35Å; Q103-V106 PolarHBondContact O-N 3.22Å; V106-G108 VanDerWaalsContact C-N 3.31Å; V106-G108 PolarHBondContact O-N 3.46Å; V106-V109 PolarHBondContact O-N 3.15Å; V106-L110 HydrophobicContact CG1-CD1 4.22Å; V106-L110 WeakPolarHBondContact O-CG 3.25Å; V106-L110 PolarHBondContact O-N 3.44Å
107	G	74.3	Confident	78	Confident	21 Å²	21	71.4 Å²	71.4	22%	0.216	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-40.8	175	0	0	0	0	0	112.3	Q103 L110 V111	Q103-G107 PolarHBondContact O-N 3.46Å; G107-L110 PolarHBondContact O-N 3.3Å; G107-V111 VanDerWaalsContact O-CG2 3.27Å; G107-V111 WeakPolarHBondContact O-CG2 3.46Å; G107-V111 PolarHBondContact O-N 2.7Å
108	G	79.2	Confident	79.4	Confident	7 Å²	7	64.2 Å²	64.2	7%	0.072	36%	0.361	C	S	.	.	H	α-helix	trans	-62.6	-42.8	176.4	0	0	0	0	0	113.3	Y69 R104 I105 V106 G112	Y69-G108 WeakPolarHBondContact CD1-O 3.47Å; Y69-G108 WeakPolarHBondContact CE1-O 3.29Å; R104-G108 PolarHBondContact O-N 3.36Å; I105-G108 PolarHBondContact O-N 3.44Å; V106-G108 VanDerWaalsContact C-N 3.31Å; V106-G108 PolarHBondContact O-N 3.46Å; G108-G112 PolarHBondContact O-N 2.86Å
109	V	83.1	Confident	80.5	Confident	54 Å²	54	63.3 Å²	63.3	33%	0.327	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-43.2	174.9	172.2	0	0	0	0	111.1	V66 M70 I105 V106 V111 G112 T113	V66-V109 HydrophobicContact CG1-CG2 4.24Å; M70-V109 HydrophobicContact SD-CG2 3.91Å; I105-V109 WeakPolarHBondContact O-CG2 3.44Å; I105-V109 PolarHBondContact O-N 3.07Å; V106-V109 PolarHBondContact O-N 3.15Å; V109-V111 PolarHBondContact O-N 3.46Å; V109-G112 PolarHBondContact O-N 3.47Å; V109-T113 VanDerWaalsContact O-CB 3.29Å; V109-T113 WeakPolarHBondContact O-CB 3.3Å; V109-T113 PolarHBondContact O-N 3.38Å; V109-T113 PolarHBondContact O-OG1 3.07Å
110	L	81.7	Confident	81.3	Confident	105 Å²	105	60.7 Å²	60.7	55%	0.55	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-45.9	178	-73.4	173.1	0	0	0	111.8	V106 G107 T113 G114	V106-L110 HydrophobicContact CG1-CD1 4.22Å; V106-L110 WeakPolarHBondContact O-CG 3.25Å; V106-L110 PolarHBondContact O-N 3.44Å; G107-L110 PolarHBondContact O-N 3.3Å; L110-T113 WeakPolarHBondContact O-CB 3.34Å; L110-T113 PolarHBondContact O-N 3Å; L110-G114 PolarHBondContact O-N 3.33Å
111	V	81.6	Confident	82.3	Confident	41 Å²	41	60.7 Å²	60.7	25%	0.248	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-45.7	178.7	176.7	0	0	0	0	111.3	Y69 I85 G107 V109 T113 G114 L115	Y69-V111 HydrophobicContact CE1-CB 3.83Å; Y69-V111 HydrophobicContact CE1-CG1 3.85Å; Y69-V111 HydrophobicContact CE2-CG1 4.02Å; Y69-V111 VanDerWaalsContact CZ-CG1 3.49Å; Y69-V111 WeakPolarHBondContact OH-CG1 3.18Å; I85-V111 HydrophobicContact CD1-CB 4.28Å; I85-V111 HydrophobicContact CD1-CG1 4.05Å; I85-V111 HydrophobicContact CD1-CG2 3.6Å; I85-V111 HydrophobicContact CG1-CG2 3.54Å; G107-V111 VanDerWaalsContact O-CG2 3.27Å; G107-V111 WeakPolarHBondContact O-CG2 3.46Å; G107-V111 PolarHBondContact O-N 2.7Å; V109-V111 PolarHBondContact O-N 3.46Å; V111-T113 PolarHBondContact O-N 2.85Å; V111-G114 PolarHBondContact O-N 2.8Å; V111-G114 VanDerWaalsContact O-N 3.11Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 PolarHBondContact O-N 3.06Å
112	G	85.9	Confident	83.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-37.4	175.5	0	0	0	0	0	112.1	G108 V109 W116	G108-G112 PolarHBondContact O-N 2.86Å; V109-G112 PolarHBondContact O-N 3.47Å; G112-W116 WeakPolarHBondContact O-CB 3.18Å; G112-W116 PolarHBondContact O-N 2.94Å
113	T	88.3	Confident	84.3	Confident	43 Å²	43	61.2 Å²	61.2	26%	0.264	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-47.3	172.9	-54.5	0	0	0	0	111.5	F62 V109 L110 V111 L115 W116 V117	F62-T113 HydrophobicContact CE2-CG2 3.94Å; F62-T113 VanDerWaalsContact CE2-OG1 3.3Å; F62-T113 WeakPolarHBondContact CE2-OG1 3.23Å; V109-T113 VanDerWaalsContact O-CB 3.29Å; V109-T113 WeakPolarHBondContact O-CB 3.3Å; V109-T113 PolarHBondContact O-N 3.38Å; V109-T113 PolarHBondContact O-OG1 3.07Å; L110-T113 WeakPolarHBondContact O-CB 3.34Å; L110-T113 PolarHBondContact O-N 3Å; V111-T113 PolarHBondContact O-N 2.85Å; T113-L115 VanDerWaalsContact C-N 3.33Å; T113-L115 PolarHBondContact O-N 3.33Å; T113-W116 PolarHBondContact O-N 3.5Å; T113-V117 HydrophobicContact CG2-CG2 4.48Å; T113-V117 WeakPolarHBondContact O-CG2 3.18Å; T113-V117 PolarHBondContact O-N 3.33Å
114	G	88	Confident	85.5	Confident	36 Å²	36	60.2 Å²	60.2	37%	0.371	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-41.9	176.6	0	0	0	0	0	112.7	L110 V111 V117 T118	L110-G114 PolarHBondContact O-N 3.33Å; V111-G114 PolarHBondContact O-N 2.8Å; V111-G114 VanDerWaalsContact O-N 3.11Å; G114-V117 PolarHBondContact O-N 3.4Å; G114-T118 WeakPolarHBondContact O-CB 3.45Å; G114-T118 PolarHBondContact O-N 3.49Å; G114-T118 PolarHBondContact O-OG1 2.83Å
115	L	89	Confident	86.5	Confident	81 Å²	81	54.8 Å²	54.8	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-46.8	174.7	-177	66.9	0	0	0	111	V65 V111 T113 T118 I119	V65-L115 HydrophobicContact CG1-CB 4.26Å; V65-L115 HydrophobicContact CG1-CD2 3.84Å; V65-L115 HydrophobicContact CG1-CG 4.11Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 PolarHBondContact O-N 3.06Å; T113-L115 VanDerWaalsContact C-N 3.33Å; T113-L115 PolarHBondContact O-N 3.33Å; L115-T118 WeakPolarHBondContact O-CB 3.47Å; L115-T118 PolarHBondContact O-N 3.3Å; L115-I119 HydrophobicContact CG-CD1 4.1Å; L115-I119 VanDerWaalsContact O-CG1 3.31Å; L115-I119 WeakPolarHBondContact O-CG1 3.32Å; L115-I119 PolarHBondContact O-N 2.8Å
116	W	90.8	Very high	87.4	Confident	31 Å²	31	52.8 Å²	52.8	12%	0.117	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-43.8	177.6	177.2	76.2	0	0	0	112.7	V54 F62 V65 G112 T113 T118 I119 I120	V54-W116 HydrophobicContact CB-CH2 3.71Å; V54-W116 HydrophobicContact CB-CZ2 4.17Å; V54-W116 HydrophobicContact CG1-CH2 3.66Å; V54-W116 HydrophobicContact CG1-CZ3 4.27Å; V54-W116 HydrophobicContact CG2-CH2 4.12Å; V54-W116 HydrophobicContact CG2-CZ2 4.32Å; F62-W116 VanDerWaalsContact CA-CD1 3.48Å; F62-W116 HydrophobicContact CB-CD2 3.9Å; F62-W116 HydrophobicContact CB-CE3 4.46Å; F62-W116 HydrophobicContact CB-CG 4.2Å; F62-W116 HydrophobicContact CB-CH2 4.38Å; F62-W116 HydrophobicContact CB-CZ2 3.82Å; F62-W116 HydrophobicContact CD2-CB 4.21Å; F62-W116 AromaticContact CD2-CD2 3.7Å; F62-W116 HydrophobicContact CD2-CD2 3.7Å; F62-W116 AromaticContact CD2-CE3 3.71Å; F62-W116 HydrophobicContact CD2-CE3 3.71Å; F62-W116 AromaticContact CD2-CG 3.94Å; F62-W116 HydrophobicContact CD2-CG 3.94Å; F62-W116 HydrophobicContact CD2-CZ3 4.25Å; F62-W116 HydrophobicContact CE2-CE3 4.47Å; F62-W116 HydrophobicContact CG-CD2 4.29Å; F62-W116 HydrophobicContact CG-CE3 4.5Å; F62-W116 VanDerWaalsContact N-NE1 3.17Å; V65-W116 HydrophobicContact CB-CB 4.22Å; V65-W116 HydrophobicContact CG1-CB 4.01Å; G112-W116 WeakPolarHBondContact O-CB 3.18Å; G112-W116 PolarHBondContact O-N 2.94Å; T113-W116 PolarHBondContact O-N 3.5Å; W116-T118 VanDerWaalsContact C-N 3.31Å; W116-T118 PolarHBondContact O-N 3.09Å; W116-I119 PolarHBondContact O-N 2.97Å; W116-I120 HydrophobicContact CD2-CD1 3.6Å; W116-I120 HydrophobicContact CE3-CD1 3.86Å; W116-I120 HydrophobicContact CG-CD1 4.38Å; W116-I120 HydrophobicContact CH2-CD1 3.58Å; W116-I120 HydrophobicContact CZ2-CD1 3.27Å; W116-I120 HydrophobicContact CZ3-CD1 3.84Å; W116-I120 WeakPolarHBondContact O-CG1 3.24Å; W116-I120 PolarHBondContact O-N 3.31Å
117	V	89.9	Confident	88.2	Confident	60 Å²	60	49.4 Å²	49.4	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-43.3	174.2	170.9	0	0	0	0	110.6	T113 G114 I119 I120 M121	T113-V117 HydrophobicContact CG2-CG2 4.48Å; T113-V117 WeakPolarHBondContact O-CG2 3.18Å; T113-V117 PolarHBondContact O-N 3.33Å; G114-V117 PolarHBondContact O-N 3.4Å; V117-I119 PolarHBondContact O-N 3Å; V117-I120 PolarHBondContact O-N 2.89Å; V117-M121 HydrophobicContact CG1-CG 4.4Å; V117-M121 WeakPolarHBondContact O-CG 3.3Å; V117-M121 PolarHBondContact O-N 2.63Å
118	T	90.3	Very high	89.2	Confident	75 Å²	75	51.8 Å²	51.8	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-45.8	177.5	-58.9	0	0	0	0	111.4	G114 L115 W116 I120 M121 I122	G114-T118 WeakPolarHBondContact O-CB 3.45Å; G114-T118 PolarHBondContact O-N 3.49Å; G114-T118 PolarHBondContact O-OG1 2.83Å; L115-T118 WeakPolarHBondContact O-CB 3.47Å; L115-T118 PolarHBondContact O-N 3.3Å; W116-T118 VanDerWaalsContact C-N 3.31Å; W116-T118 PolarHBondContact O-N 3.09Å; T118-I120 VanDerWaalsContact C-N 3.32Å; T118-I120 PolarHBondContact O-N 3.43Å; T118-M121 PolarHBondContact O-N 2.84Å; T118-I122 HydrophobicContact CG2-CD1 4Å; T118-I122 WeakPolarHBondContact O-CG1 3.27Å; T118-I122 PolarHBondContact O-N 3.36Å
119	I	90.4	Very high	90	Very high	65 Å²	65	55.4 Å²	55.4	33%	0.333	31%	0.314	S	S	.	.	H	α-helix	trans	-57.7	-45.6	175.2	-69.6	164.9	0	0	0	110.6	V65 L115 W116 V117 M121 I122 M123	V65-I119 HydrophobicContact CG2-CD1 4.06Å; L115-I119 HydrophobicContact CG-CD1 4.1Å; L115-I119 VanDerWaalsContact O-CG1 3.31Å; L115-I119 WeakPolarHBondContact O-CG1 3.32Å; L115-I119 PolarHBondContact O-N 2.8Å; W116-I119 PolarHBondContact O-N 2.97Å; V117-I119 PolarHBondContact O-N 3Å; I119-M121 PolarHBondContact O-N 3.02Å; I119-I122 PolarHBondContact O-N 3.32Å; I119-M123 HydrophobicContact CG2-CG 4.31Å; I119-M123 HydrophobicContact CG2-SD 4.04Å; I119-M123 WeakPolarHBondContact O-CG 3.38Å; I119-M123 PolarHBondContact O-N 2.9Å
120	I	91.3	Very high	90.6	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.046	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-44.7	177.7	-71.5	167.9	0	0	0	111.3	V54 W116 V117 T118 I122 M123 R124	V54-I120 HydrophobicContact CB-CD1 4.1Å; V54-I120 WeakPolarHBondContact O-CD1 3.37Å; V54-I120 WeakPolarHBondContact O-CG2 3.39Å; W116-I120 HydrophobicContact CD2-CD1 3.6Å; W116-I120 HydrophobicContact CE3-CD1 3.86Å; W116-I120 HydrophobicContact CG-CD1 4.38Å; W116-I120 HydrophobicContact CH2-CD1 3.58Å; W116-I120 HydrophobicContact CZ2-CD1 3.27Å; W116-I120 HydrophobicContact CZ3-CD1 3.84Å; W116-I120 WeakPolarHBondContact O-CG1 3.24Å; W116-I120 PolarHBondContact O-N 3.31Å; V117-I120 PolarHBondContact O-N 2.89Å; T118-I120 VanDerWaalsContact C-N 3.32Å; T118-I120 PolarHBondContact O-N 3.43Å; I120-I122 VanDerWaalsContact C-N 3.3Å; I120-I122 PolarHBondContact O-N 3.25Å; I120-M123 PolarHBondContact O-N 2.9Å; I120-R124 VanDerWaalsContact O-CB 3.24Å; I120-R124 WeakPolarHBondContact O-CB 3.5Å; I120-R124 PolarHBondContact O-N 2.88Å
121	M	90.1	Very high	91.2	Very high	98 Å²	98	49.5 Å²	49.5	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-39.8	179	-69.3	-60.2	-173.8	0	0	111.4	V117 T118 I119 S125	V117-M121 HydrophobicContact CG1-CG 4.4Å; V117-M121 WeakPolarHBondContact O-CG 3.3Å; V117-M121 PolarHBondContact O-N 2.63Å; T118-M121 PolarHBondContact O-N 2.84Å; I119-M121 PolarHBondContact O-N 3.02Å; M121-S125 WeakPolarHBondContact O-CB 3.41Å; M121-S125 PolarHBondContact O-N 2.84Å; M121-S125 PolarHBondContact O-OG 3.17Å
122	I	92.3	Very high	91.9	Very high	100 Å²	100	50.2 Å²	50.2	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-52.7	173.1	-67.1	166.8	0	0	0	110.5	T118 I119 I120 R124 S125 V126	T118-I122 HydrophobicContact CG2-CD1 4Å; T118-I122 WeakPolarHBondContact O-CG1 3.27Å; T118-I122 PolarHBondContact O-N 3.36Å; I119-I122 PolarHBondContact O-N 3.32Å; I120-I122 VanDerWaalsContact C-N 3.3Å; I120-I122 PolarHBondContact O-N 3.25Å; I122-R124 VanDerWaalsContact C-N 3.29Å; I122-R124 PolarHBondContact O-N 3.11Å; I122-S125 WeakPolarHBondContact O-CB 3.35Å; I122-S125 PolarHBondContact O-N 3.08Å; I122-S125 VanDerWaalsContact O-N 3.08Å; I122-V126 HydrophobicContact CG2-CG2 4.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.32Å; I122-V126 PolarHBondContact O-N 2.88Å
123	M	92.2	Very high	92.2	Very high	54 Å²	54	55.3 Å²	55.3	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-57.6	-42.2	179.6	-71.7	179.4	73.1	0	0	112.2	P56 I119 I120 V126 L127 F158	P56-M123 HydrophobicContact CB-CE 4.21Å; P56-M123 HydrophobicContact CG-CB 3.69Å; P56-M123 HydrophobicContact CG-CE 3.9Å; P56-M123 HydrophobicContact CG-SD 4.48Å; I119-M123 HydrophobicContact CG2-CG 4.31Å; I119-M123 HydrophobicContact CG2-SD 4.04Å; I119-M123 WeakPolarHBondContact O-CG 3.38Å; I119-M123 PolarHBondContact O-N 2.9Å; I120-M123 PolarHBondContact O-N 2.9Å; M123-V126 PolarHBondContact O-N 3.29Å; M123-L127 WeakPolarHBondContact O-CB 3.45Å; M123-L127 PolarHBondContact O-N 2.91Å; M123-F158 HydrophobicContact CB-CD1 4.48Å
124	R	92.2	Very high	92.4	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-41.3	176.4	-178.5	179.4	-66.9	173.4	2	111.5	G53 Y55 I120 I122 L127 K128 N170 A171	G53-R124 PolarHBondContact O-NH2 2.9Å; Y55-R124 PolarHBondContact O-NE 3.48Å; Y55-R124 PolarHBondContact O-NH2 3.2Å; I120-R124 VanDerWaalsContact O-CB 3.24Å; I120-R124 WeakPolarHBondContact O-CB 3.5Å; I120-R124 PolarHBondContact O-N 2.88Å; I122-R124 VanDerWaalsContact C-N 3.29Å; I122-R124 PolarHBondContact O-N 3.11Å; R124-L127 PolarHBondContact O-N 3.34Å; R124-K128 VanDerWaalsContact O-CB 3.27Å; R124-K128 WeakPolarHBondContact O-CB 3.09Å; R124-K128 PolarHBondContact O-N 3.31Å; R124-N170 WeakPolarHBondContact CD-O 3.44Å; R124-A171 HydrophobicContact CG-CB 4.21Å
125	S	92.9	Very high	92.3	Very high	69 Å²	69	54 Å²	54	48%	0.483	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-42.3	177.8	-58.4	0	0	0	0	111.1	M121 I122 K128 S129	M121-S125 WeakPolarHBondContact O-CB 3.41Å; M121-S125 PolarHBondContact O-N 2.84Å; M121-S125 PolarHBondContact O-OG 3.17Å; I122-S125 WeakPolarHBondContact O-CB 3.35Å; I122-S125 PolarHBondContact O-N 3.08Å; I122-S125 VanDerWaalsContact O-N 3.08Å; S125-K128 PolarHBondContact O-N 3.47Å; S125-S129 WeakPolarHBondContact O-CB 3.38Å; S125-S129 PolarHBondContact O-N 3.49Å; S125-S129 PolarHBondContact O-OG 3.16Å; S125-S129 VanDerWaalsContact O-OG 3.1Å
126	V	95.1	Very high	92.2	Very high	52 Å²	52	51.5 Å²	51.5	32%	0.315	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-49.3	173.1	173.1	0	0	0	0	110.7	I122 M123 K128 S129 L130 F158	I122-V126 HydrophobicContact CG2-CG2 4.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.32Å; I122-V126 PolarHBondContact O-N 2.88Å; M123-V126 PolarHBondContact O-N 3.29Å; V126-K128 VanDerWaalsContact C-N 3.32Å; V126-K128 PolarHBondContact O-N 2.96Å; V126-S129 PolarHBondContact O-N 3.38Å; V126-L130 HydrophobicContact CG1-CD1 4.03Å; V126-L130 HydrophobicContact CG1-CG 4.38Å; V126-L130 WeakPolarHBondContact O-CG 3.46Å; V126-L130 PolarHBondContact O-N 3.26Å; V126-F158 HydrophobicContact CB-CD1 4.23Å; V126-F158 HydrophobicContact CB-CE1 4.05Å; V126-F158 HydrophobicContact CG1-CD1 3.89Å; V126-F158 HydrophobicContact CG1-CD2 4.17Å; V126-F158 HydrophobicContact CG1-CE1 3.68Å; V126-F158 HydrophobicContact CG1-CE2 3.98Å; V126-F158 HydrophobicContact CG1-CG 4.14Å; V126-F158 HydrophobicContact CG1-CZ 3.74Å; V126-F158 HydrophobicContact CG2-CE1 4.5Å
127	L	94.9	Very high	92	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-42.5	178.1	-176	58	0	0	0	111.5	M123 R124 S129 L130 L131 V155 F158 F168 A171	M123-L127 WeakPolarHBondContact O-CB 3.45Å; M123-L127 PolarHBondContact O-N 2.91Å; R124-L127 PolarHBondContact O-N 3.34Å; L127-S129 PolarHBondContact O-N 2.85Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-L131 HydrophobicContact CD1-CD1 4.19Å; L127-L131 HydrophobicContact CD1-CG 4.21Å; L127-L131 HydrophobicContact CG-CD1 4.02Å; L127-L131 HydrophobicContact CG-CG 4.45Å; L127-L131 WeakPolarHBondContact O-CB 3.2Å; L127-L131 VanDerWaalsContact O-CG 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 2.75Å; L127-V155 HydrophobicContact CD1-CG1 4.45Å; L127-F158 HydrophobicContact CB-CB 4.37Å; L127-F158 HydrophobicContact CD1-CB 4.12Å; L127-F168 HydrophobicContact CD2-CD1 4.2Å; L127-F168 HydrophobicContact CD2-CE1 4.19Å; L127-A171 HydrophobicContact CB-CB 4.5Å; L127-A171 HydrophobicContact CD2-CB 3.75Å; L127-A171 HydrophobicContact CG-CB 4.11Å
128	K	95.1	Very high	91.5	Very high	72 Å²	72	55.5 Å²	55.5	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-41.6	175.4	-173.4	178.2	-178.1	-176.1	0	112.4	R124 S125 V126 L131 S132 A171	R124-K128 VanDerWaalsContact O-CB 3.27Å; R124-K128 WeakPolarHBondContact O-CB 3.09Å; R124-K128 PolarHBondContact O-N 3.31Å; S125-K128 PolarHBondContact O-N 3.47Å; V126-K128 VanDerWaalsContact C-N 3.32Å; V126-K128 PolarHBondContact O-N 2.96Å; K128-L131 PolarHBondContact O-N 2.91Å; K128-S132 WeakPolarHBondContact O-CB 3.36Å; K128-S132 PolarHBondContact O-N 3.09Å; K128-S132 PolarHBondContact O-OG 3.31Å; K128-A171 WeakPolarHBondContact CA-O 2.88Å; K128-A171 VanDerWaalsContact CB-O 3.3Å; K128-A171 WeakPolarHBondContact CB-O 3.44Å
129	S	95	Very high	90.8	Very high	83 Å²	83	53.1 Å²	53.1	58%	0.58	28%	0.281	S	S	*	.	H	α-helix	trans	-65.2	-42	175.3	-65.4	0	0	0	0	111.6	S125 V126 L127 L131 S132	S125-S129 WeakPolarHBondContact O-CB 3.38Å; S125-S129 PolarHBondContact O-N 3.49Å; S125-S129 PolarHBondContact O-OG 3.16Å; S125-S129 VanDerWaalsContact O-OG 3.1Å; V126-S129 PolarHBondContact O-N 3.38Å; L127-S129 PolarHBondContact O-N 2.85Å; S129-L131 PolarHBondContact O-N 3.31Å; S129-S132 WeakPolarHBondContact O-CB 3.44Å; S129-S132 PolarHBondContact O-N 3.15Å
130	L	95.6	Very high	89.4	Confident	26 Å²	26	60.5 Å²	60.5	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-44.8	174.7	-70.2	170	0	0	0	111.3	V126 L127 S132 W133 W151 L154 V155 F158	V126-L130 HydrophobicContact CG1-CD1 4.03Å; V126-L130 HydrophobicContact CG1-CG 4.38Å; V126-L130 WeakPolarHBondContact O-CG 3.46Å; V126-L130 PolarHBondContact O-N 3.26Å; L127-L130 PolarHBondContact O-N 3.44Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 3.44Å; L130-W133 PolarHBondContact O-N 2.91Å; L130-W151 PolarHBondContact O-NE1 2.75Å; L130-L154 HydrophobicContact CD1-CB 4.02Å; L130-L154 HydrophobicContact CD2-CB 4.19Å; L130-L154 HydrophobicContact CD2-CD1 4.34Å; L130-V155 HydrophobicContact CB-CG2 3.94Å; L130-V155 HydrophobicContact CD1-CG2 4.41Å; L130-F158 HydrophobicContact CD1-CB 4.4Å; L130-F158 HydrophobicContact CD1-CD2 4.04Å; L130-F158 HydrophobicContact CD1-CG 4.38Å
131	L	95.3	Very high	87.8	Confident	9 Å²	9	68.4 Å²	68.4	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-72.8	-21.1	179.4	-65.9	175.3	0	0	0	113.4	L127 K128 S129 W133 V155 L172 P173 I301 P302	L127-L131 HydrophobicContact CD1-CD1 4.19Å; L127-L131 HydrophobicContact CD1-CG 4.21Å; L127-L131 HydrophobicContact CG-CD1 4.02Å; L127-L131 HydrophobicContact CG-CG 4.45Å; L127-L131 WeakPolarHBondContact O-CB 3.2Å; L127-L131 VanDerWaalsContact O-CG 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 2.75Å; K128-L131 PolarHBondContact O-N 2.91Å; S129-L131 PolarHBondContact O-N 3.31Å; L131-W133 PolarHBondContact O-N 3.06Å; L131-V155 HydrophobicContact CD2-CG1 4.16Å; L131-L172 HydrophobicContact CD1-CD2 4.39Å; L131-P173 HydrophobicContact CB-CG 4.45Å; L131-I301 HydrophobicContact CD2-CG2 4.41Å; L131-P302 HydrophobicContact CD1-CG 3.89Å; L131-P302 HydrophobicContact CD2-CG 4.11Å
132	S	94.6	Very high	86.4	Confident	56 Å²	56	68 Å²	68	39%	0.392	36%	0.362	S	S	.	.	H	α-helix	trans	-70.7	-18.8	172.8	-57.3	0	0	0	0	112.9	K128 S129 L130 H134	K128-S132 WeakPolarHBondContact O-CB 3.36Å; K128-S132 PolarHBondContact O-N 3.09Å; K128-S132 PolarHBondContact O-OG 3.31Å; S129-S132 WeakPolarHBondContact O-CB 3.44Å; S129-S132 PolarHBondContact O-N 3.15Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 3.44Å; S132-H134 PolarHBondContact O-CE1 3.49Å; S132-H134 VanDerWaalsContact O-CE1 3.31Å; S132-H134 PolarHBondContact O-ND1 2.95Å
133	W	93.5	Very high	85.3	Confident	106 Å²	106	67 Å²	67	40%	0.402	36%	0.364	S	S	.	.			trans	-87	125.7	178.5	-179	80.1	0	0	0	111.4	L130 L131 W136 W151	L130-W133 PolarHBondContact O-N 2.91Å; L131-W133 PolarHBondContact O-N 3.06Å; W133-W136 AromaticContact CE3-CD1 3.91Å; W133-W136 HydrophobicContact CH2-CB 4.16Å; W133-W136 VanDerWaalsContact CH2-N 3.32Å; W133-W136 HydrophobicContact CZ3-CB 3.77Å; W133-W136 AromaticContact CZ3-CD1 3.92Å; W133-W136 HydrophobicContact CZ3-CG 4.28Å; W133-W136 PolarHBondContact O-NE1 3.42Å; W133-W151 HydrophobicContact CE3-CB 4.5Å; W133-W151 AromaticContact CE3-CD1 3.67Å; W133-W151 AromaticContact CE3-CD2 3.65Å; W133-W151 HydrophobicContact CE3-CD2 3.65Å; W133-W151 AromaticContact CE3-CE2 3.63Å; W133-W151 HydrophobicContact CE3-CE3 4.26Å; W133-W151 AromaticContact CE3-CG 3.71Å; W133-W151 HydrophobicContact CE3-CG 3.71Å; W133-W151 HydrophobicContact CE3-CZ2 4.22Å; W133-W151 AromaticContact CE3-NE1 3.61Å; W133-W151 HydrophobicContact CZ3-CB 4.13Å; W133-W151 AromaticContact CZ3-CD2 3.59Å; W133-W151 HydrophobicContact CZ3-CD2 3.59Å; W133-W151 AromaticContact CZ3-CE3 3.82Å; W133-W151 HydrophobicContact CZ3-CE3 3.82Å; W133-W151 AromaticContact CZ3-CG 3.7Å; W133-W151 HydrophobicContact CZ3-CG 3.7Å; W133-W151 HydrophobicContact CZ3-CZ3 4.45Å
134	H	91.1	Very high	84.6	Confident	33 Å²	33	68 Å²	68	15%	0.153	37%	0.37	C	S	.	.			trans	-118.3	5.6	-172.2	-64.4	99.1	0	0	0	114.2	S132 W136 M137 F596 T647	S132-H134 PolarHBondContact O-CE1 3.49Å; S132-H134 VanDerWaalsContact O-CE1 3.31Å; S132-H134 PolarHBondContact O-ND1 2.95Å; H134-W136 PolarHBondContact O-N 3.33Å; H134-M137 HydrophobicContact CB-CE 3.69Å; H134-M137 PolarHBondContact O-N 3.12Å; H134-F596 AromaticContact CE1-CE1 3.7Å; H134-F596 AromaticContact CE1-CZ 3.62Å; H134-F596 AromaticContact NE2-CZ 3.83Å; H134-T647 HydrophobicContact CB-CG2 3.61Å
135	G	86.4	Confident	84.4	Confident	19 Å²	19	69.4 Å²	69.4	20%	0.196	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-62.2	-15.7	-177.5	0	0	0	0	0	114.3	M137 E138	G135-M137 PolarHBondContact O-N 3.19Å; G135-E138 PolarHBondContact O-N 3.28Å
136	W	86.8	Confident	84.1	Confident	28 Å²	28	73.9 Å²	73.9	11%	0.106	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-61.1	-26.4	171.2	61	-93.2	0	0	0	113.3	W133 H134 E138 S139 T148 W151 L297 L298 I301 L595	W133-W136 AromaticContact CE3-CD1 3.91Å; W133-W136 HydrophobicContact CH2-CB 4.16Å; W133-W136 VanDerWaalsContact CH2-N 3.32Å; W133-W136 HydrophobicContact CZ3-CB 3.77Å; W133-W136 AromaticContact CZ3-CD1 3.92Å; W133-W136 HydrophobicContact CZ3-CG 4.28Å; W133-W136 PolarHBondContact O-NE1 3.42Å; H134-W136 PolarHBondContact O-N 3.33Å; W136-E138 VanDerWaalsContact C-N 3.3Å; W136-E138 PolarHBondContact O-N 2.87Å; W136-S139 WeakPolarHBondContact O-CB 3.37Å; W136-S139 PolarHBondContact O-N 3.34Å; W136-S139 PolarHBondContact O-OG 2.91Å; W136-T148 HydrophobicContact CB-CG2 3.61Å; W136-W151 HydrophobicContact CB-CE3 4.35Å; W136-W151 HydrophobicContact CB-CH2 4.47Å; W136-W151 HydrophobicContact CB-CZ3 3.94Å; W136-W151 AromaticContact CD1-CH2 3.24Å; W136-W151 AromaticContact CD1-CZ2 3.72Å; W136-W151 AromaticContact CD1-CZ3 3.59Å; W136-W151 HydrophobicContact CD2-CH2 4.31Å; W136-W151 HydrophobicContact CD2-CZ3 4.42Å; W136-W151 HydrophobicContact CG-CE3 4.5Å; W136-W151 AromaticContact CG-CH2 3.79Å; W136-W151 HydrophobicContact CG-CH2 3.79Å; W136-W151 AromaticContact CG-CZ3 3.72Å; W136-W151 HydrophobicContact CG-CZ3 3.72Å; W136-W151 AromaticContact NE1-CH2 3.49Å; W136-W151 AromaticContact NE1-CZ2 3.95Å; W136-L297 HydrophobicContact CH2-CD1 4.11Å; W136-L298 HydrophobicContact CE3-CD1 4.02Å; W136-L298 HydrophobicContact CZ3-CD1 4.12Å; W136-I301 HydrophobicContact CD2-CD1 3.77Å; W136-I301 HydrophobicContact CE3-CD1 3.96Å; W136-I301 HydrophobicContact CG-CD1 4.48Å; W136-I301 HydrophobicContact CH2-CD1 3.74Å; W136-I301 HydrophobicContact CZ2-CD1 3.53Å; W136-I301 HydrophobicContact CZ2-CG2 4.46Å; W136-I301 HydrophobicContact CZ3-CD1 3.94Å; W136-L595 HydrophobicContact CZ2-CD1 4.38Å
137	M	86.4	Confident	83.8	Confident	23 Å²	23	73.6 Å²	73.6	11%	0.113	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-73.2	-20.6	178.2	-81.3	-174.2	-81.5	0	0	114	H134 G135 S139 L595 R643 T647	H134-M137 HydrophobicContact CB-CE 3.69Å; H134-M137 PolarHBondContact O-N 3.12Å; G135-M137 PolarHBondContact O-N 3.19Å; M137-S139 VanDerWaalsContact C-N 3.33Å; M137-L595 HydrophobicContact CE-CD1 3.91Å; M137-R643 HydrophobicContact CB-CG 4.28Å; M137-R643 VanDerWaalsContact O-CD 3.32Å; M137-R643 WeakPolarHBondContact O-CD 3.3Å; M137-R643 PolarHBondContact O-NE 2.93Å; M137-T647 HydrophobicContact CE-CG2 3.06Å; M137-T647 HydrophobicContact SD-CG2 4.27Å
138	E	80.3	Confident	83.6	Confident	153 Å²	153	74 Å²	74	72%	0.715	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-84.9	-12.2	177.1	-62.5	178.1	179.4	0	0	112.2	G135 W136 R140	G135-E138 PolarHBondContact O-N 3.28Å; W136-E138 VanDerWaalsContact C-N 3.3Å; W136-E138 PolarHBondContact O-N 2.87Å; E138-R140 PolarHBondContact O-N 3.01Å
139	S	74.4	Confident	83.4	Confident	24 Å²	24	77.7 Å²	77.7	17%	0.168	42%	0.417	C	S	.	.	S	Bend	trans	-64.7	128.9	178.6	-62.2	0	0	0	0	110.3	W136 M137 P145	W136-S139 WeakPolarHBondContact O-CB 3.37Å; W136-S139 PolarHBondContact O-N 3.34Å; W136-S139 PolarHBondContact O-OG 2.91Å; M137-S139 VanDerWaalsContact C-N 3.33Å; S139-P145 WeakPolarHBondContact OG-CD 3.37Å
140	R	62.7	Low	83.3	Confident	220 Å²	220	77.6 Å²	77.6	83%	0.83	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-61.6	142.1	176.8	-71.9	-175.3	176.3	179.1	-1.7	110.5	E138 G142 S143	E138-R140 PolarHBondContact O-N 3.01Å; R140-G142 PolarHBondContact O-N 2.84Å; R140-S143 PolarHBondContact O-N 3.34Å
141	H	57.8	Low	83.2	Confident	176 Å²	176	77.1 Å²	77.1	82%	0.815	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	126.8	176.1	-75.6	69.9	0	0	0	109.7
142	G	59.5	Low	83.1	Confident	90 Å²	90	78 Å²	78	93%	0.928	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	-19.2	175.7	0	0	0	0	0	116.1	R140	R140-G142 PolarHBondContact O-N 2.84Å
143	S	68.4	Low	83.1	Confident	78 Å²	78	80.1 Å²	80.1	55%	0.545	42%	0.416	S	S	.	.			trans	-137.4	100.5	173.4	60.6	0	0	0	0	111.8	R140 P145	R140-S143 PolarHBondContact O-N 3.34Å; S143-P145 VanDerWaalsContact O-CD 3.3Å; S143-P145 WeakPolarHBondContact O-CD 3.17Å
144	L	79	Confident	83.1	Confident	75 Å²	75	78.3 Å²	78.3	39%	0.393	41%	0.414	S	S	.	.			trans	-75.7	118.7	170.7	-70.2	171	0	0	0	109.3	T148 R149 L152	L144-T148 HydrophobicContact CD2-CG2 3.96Å; L144-R149 HydrophobicContact CB-CG 3.88Å; L144-R149 PolarHBondContact O-NE 2.74Å; L144-L152 HydrophobicContact CD1-CD1 4.19Å
145	P	87	Confident	83.2	Confident	65 Å²	65	76.7 Å²	76.7	42%	0.422	41%	0.407	S	S	.	.			trans	-55.6	152.5	173.5	-23	33.2	0	0	0	111.4	S139 S143 G147 T148 R149	S139-P145 WeakPolarHBondContact OG-CD 3.37Å; S143-P145 VanDerWaalsContact O-CD 3.3Å; S143-P145 WeakPolarHBondContact O-CD 3.17Å; P145-G147 PolarHBondContact O-N 2.92Å; P145-T148 PolarHBondContact O-N 3.19Å; P145-R149 PolarHBondContact O-N 3.48Å
146	F	87.6	Confident	83.5	Confident	164 Å²	164	83 Å²	83	72%	0.719	43%	0.428	S	S	*	.	H	α-helix	trans	-54.2	-41.4	178.4	178.1	-98	0	0	0	112.2	T148 R149 L150	F146-T148 PolarHBondContact O-N 2.68Å; F146-R149 PolarHBondContact O-N 3.29Å; F146-L150 HydrophobicContact CE1-CD2 4.43Å; F146-L150 PolarHBondContact O-N 3.22Å
147	G	88.9	Confident	83.7	Confident	46 Å²	46	86 Å²	86	47%	0.474	45%	0.45	S	S	.	.	H	α-helix	trans	-57.6	-45.1	176.1	0	0	0	0	0	113.1	P145 R149 L150 W151	P145-G147 PolarHBondContact O-N 2.92Å; G147-R149 PolarHBondContact O-N 3.43Å; G147-L150 PolarHBondContact O-N 2.77Å; G147-W151 WeakPolarHBondContact O-CB 3.24Å; G147-W151 PolarHBondContact O-N 2.82Å
148	T	90.3	Very high	83.9	Confident	7 Å²	7	87.6 Å²	87.6	4%	0.043	46%	0.456	C	S	.	.	H	α-helix	trans	-65.4	-38.6	176.8	-51.8	0	0	0	0	112	W136 L144 P145 F146 W151 L152	W136-T148 HydrophobicContact CB-CG2 3.61Å; L144-T148 HydrophobicContact CD2-CG2 3.96Å; P145-T148 PolarHBondContact O-N 3.19Å; F146-T148 PolarHBondContact O-N 2.68Å; T148-W151 HydrophobicContact CG2-CE3 4.41Å; T148-W151 PolarHBondContact O-N 3.1Å; T148-L152 WeakPolarHBondContact O-CG 3.31Å; T148-L152 PolarHBondContact O-N 3.1Å
149	R	90.2	Very high	84.3	Confident	151 Å²	151	80.8 Å²	80.8	57%	0.57	43%	0.426	S	S	*	.	H	α-helix	trans	-64.9	-44.2	175.8	-64.5	179.6	-170.9	-166.4	-3.4	111.7	L144 P145 F146 G147 W151 L152 L153	L144-R149 HydrophobicContact CB-CG 3.88Å; L144-R149 PolarHBondContact O-NE 2.74Å; P145-R149 PolarHBondContact O-N 3.48Å; F146-R149 PolarHBondContact O-N 3.29Å; G147-R149 PolarHBondContact O-N 3.43Å; R149-W151 VanDerWaalsContact C-N 3.35Å; R149-L152 PolarHBondContact O-N 2.73Å; R149-L153 PolarHBondContact O-N 3.13Å
150	L	93.3	Very high	84.6	Confident	80 Å²	80	81.4 Å²	81.4	42%	0.419	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-44.1	175.2	-179.2	61.8	0	0	0	110.9	F146 G147 L153 L154	F146-L150 HydrophobicContact CE1-CD2 4.43Å; F146-L150 PolarHBondContact O-N 3.22Å; G147-L150 PolarHBondContact O-N 2.77Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 3.16Å; L150-L154 HydrophobicContact CG-CD1 4.44Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 3.37Å
151	W	94.5	Very high	85.4	Confident	17 Å²	17	82.3 Å²	82.3	6%	0.064	44%	0.44	C	S	.	.	H	α-helix	trans	-60.4	-46.7	175.1	169.3	86.6	0	0	0	112.4	L130 W133 W136 G147 T148 R149 L153 L154 V155 I301	L130-W151 PolarHBondContact O-NE1 2.75Å; W133-W151 HydrophobicContact CE3-CB 4.5Å; W133-W151 AromaticContact CE3-CD1 3.67Å; W133-W151 AromaticContact CE3-CD2 3.65Å; W133-W151 HydrophobicContact CE3-CD2 3.65Å; W133-W151 AromaticContact CE3-CE2 3.63Å; W133-W151 HydrophobicContact CE3-CE3 4.26Å; W133-W151 AromaticContact CE3-CG 3.71Å; W133-W151 HydrophobicContact CE3-CG 3.71Å; W133-W151 HydrophobicContact CE3-CZ2 4.22Å; W133-W151 AromaticContact CE3-NE1 3.61Å; W133-W151 HydrophobicContact CZ3-CB 4.13Å; W133-W151 AromaticContact CZ3-CD2 3.59Å; W133-W151 HydrophobicContact CZ3-CD2 3.59Å; W133-W151 AromaticContact CZ3-CE3 3.82Å; W133-W151 HydrophobicContact CZ3-CE3 3.82Å; W133-W151 AromaticContact CZ3-CG 3.7Å; W133-W151 HydrophobicContact CZ3-CG 3.7Å; W133-W151 HydrophobicContact CZ3-CZ3 4.45Å; W136-W151 HydrophobicContact CB-CE3 4.35Å; W136-W151 HydrophobicContact CB-CH2 4.47Å; W136-W151 HydrophobicContact CB-CZ3 3.94Å; W136-W151 AromaticContact CD1-CH2 3.24Å; W136-W151 AromaticContact CD1-CZ2 3.72Å; W136-W151 AromaticContact CD1-CZ3 3.59Å; W136-W151 HydrophobicContact CD2-CH2 4.31Å; W136-W151 HydrophobicContact CD2-CZ3 4.42Å; W136-W151 HydrophobicContact CG-CE3 4.5Å; W136-W151 AromaticContact CG-CH2 3.79Å; W136-W151 HydrophobicContact CG-CH2 3.79Å; W136-W151 AromaticContact CG-CZ3 3.72Å; W136-W151 HydrophobicContact CG-CZ3 3.72Å; W136-W151 AromaticContact NE1-CH2 3.49Å; W136-W151 AromaticContact NE1-CZ2 3.95Å; G147-W151 WeakPolarHBondContact O-CB 3.24Å; G147-W151 PolarHBondContact O-N 2.82Å; T148-W151 HydrophobicContact CG2-CE3 4.41Å; T148-W151 PolarHBondContact O-N 3.1Å; R149-W151 VanDerWaalsContact C-N 3.35Å; W151-L153 VanDerWaalsContact C-N 3.28Å; W151-L153 PolarHBondContact O-N 2.72Å; W151-L154 WeakPolarHBondContact O-CB 3.43Å; W151-L154 PolarHBondContact O-N 3.31Å; W151-L154 VanDerWaalsContact O-N 3.11Å; W151-V155 HydrophobicContact CD2-CG2 4.05Å; W151-V155 HydrophobicContact CG-CG2 4.49Å; W151-V155 HydrophobicContact CH2-CG2 4.4Å; W151-V155 HydrophobicContact CZ2-CG2 3.75Å; W151-V155 WeakPolarHBondContact O-CG2 3.37Å; W151-V155 PolarHBondContact O-N 3.39Å; W151-I301 HydrophobicContact CH2-CD1 3.57Å; W151-I301 HydrophobicContact CH2-CG1 3.69Å; W151-I301 HydrophobicContact CZ3-CD1 4.01Å; W151-I301 HydrophobicContact CZ3-CG1 4.29Å
152	L	92.9	Very high	86.6	Confident	28 Å²	28	83.3 Å²	83.3	15%	0.147	44%	0.441	C	S	.	.	H	α-helix	trans	-58.1	-41.9	175.7	-79.4	170.6	0	0	0	111.6	L144 T148 R149 V155 K156 T300	L144-L152 HydrophobicContact CD1-CD1 4.19Å; T148-L152 WeakPolarHBondContact O-CG 3.31Å; T148-L152 PolarHBondContact O-N 3.1Å; R149-L152 PolarHBondContact O-N 2.73Å; L152-V155 PolarHBondContact O-N 2.86Å; L152-K156 WeakPolarHBondContact O-CB 3.37Å; L152-K156 PolarHBondContact O-N 3.18Å; L152-T300 HydrophobicContact CD2-CG2 3.88Å
153	L	93.2	Very high	88.1	Confident	99 Å²	99	80.8 Å²	80.8	52%	0.518	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-46.7	175	-179.8	68.9	0	0	0	111	R149 L150 W151 K156 V157	R149-L153 PolarHBondContact O-N 3.13Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 3.16Å; W151-L153 VanDerWaalsContact C-N 3.28Å; W151-L153 PolarHBondContact O-N 2.72Å; L153-K156 PolarHBondContact O-N 3.41Å; L153-V157 VanDerWaalsContact O-CG2 3.3Å; L153-V157 WeakPolarHBondContact O-CG2 3.18Å; L153-V157 PolarHBondContact O-N 3.02Å
154	L	94.5	Very high	89.3	Confident	68 Å²	68	78.9 Å²	78.9	36%	0.356	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-47.5	177.4	-68.7	173.3	0	0	0	111.5	L130 L150 W151 K156 V157 F158	L130-L154 HydrophobicContact CD1-CB 4.02Å; L130-L154 HydrophobicContact CD2-CB 4.19Å; L130-L154 HydrophobicContact CD2-CD1 4.34Å; L150-L154 HydrophobicContact CG-CD1 4.44Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 3.37Å; W151-L154 WeakPolarHBondContact O-CB 3.43Å; W151-L154 PolarHBondContact O-N 3.31Å; W151-L154 VanDerWaalsContact O-N 3.11Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3Å; L154-V157 PolarHBondContact O-N 3.41Å; L154-V157 VanDerWaalsContact O-N 3.16Å; L154-F158 HydrophobicContact CD2-CE2 4.41Å; L154-F158 WeakPolarHBondContact O-CD2 3.29Å; L154-F158 PolarHBondContact O-N 3.41Å
155	V	93.8	Very high	90	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-55.7	-44.8	175.6	173.3	0	0	0	0	110.4	L127 L130 L131 W151 L152 F158 S159 T300	L127-V155 HydrophobicContact CD1-CG1 4.45Å; L130-V155 HydrophobicContact CB-CG2 3.94Å; L130-V155 HydrophobicContact CD1-CG2 4.41Å; L131-V155 HydrophobicContact CD2-CG1 4.16Å; W151-V155 HydrophobicContact CD2-CG2 4.05Å; W151-V155 HydrophobicContact CG-CG2 4.49Å; W151-V155 HydrophobicContact CH2-CG2 4.4Å; W151-V155 HydrophobicContact CZ2-CG2 3.75Å; W151-V155 WeakPolarHBondContact O-CG2 3.37Å; W151-V155 PolarHBondContact O-N 3.39Å; L152-V155 PolarHBondContact O-N 2.86Å; V155-F158 PolarHBondContact O-N 2.92Å; V155-S159 WeakPolarHBondContact O-CB 3.42Å; V155-S159 PolarHBondContact O-N 3.42Å; V155-S159 PolarHBondContact O-OG 3.45Å; V155-T300 HydrophobicContact CB-CG2 4.2Å; V155-T300 HydrophobicContact CG1-CG2 3.88Å
156	K	91.6	Very high	90.4	Very high	150 Å²	150	74.8 Å²	74.8	65%	0.652	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-40.9	178.7	-169.5	174.1	-175.2	173.9	0	112.6	L152 L153 L154 T300	L152-K156 WeakPolarHBondContact O-CB 3.37Å; L152-K156 PolarHBondContact O-N 3.18Å; L153-K156 PolarHBondContact O-N 3.41Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3Å; K156-T300 HydrophobicContact CB-CG2 4.38Å
157	V	90.8	Very high	90.7	Very high	93 Å²	93	67.3 Å²	67.3	56%	0.564	33%	0.331	S	S	*	.	H	α-helix	trans	-65	-49.6	177.1	169.1	0	0	0	0	110.8	L153 L154 S159 G160	L153-V157 VanDerWaalsContact O-CG2 3.3Å; L153-V157 WeakPolarHBondContact O-CG2 3.18Å; L153-V157 PolarHBondContact O-N 3.02Å; L154-V157 PolarHBondContact O-N 3.41Å; L154-V157 VanDerWaalsContact O-N 3.16Å; V157-S159 VanDerWaalsContact C-N 3.32Å; V157-S159 PolarHBondContact O-N 3.09Å; V157-G160 PolarHBondContact O-N 2.86Å
158	F	90.6	Very high	91	Very high	55 Å²	55	65.2 Å²	65.2	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-75.2	-19.7	-177.5	-80.5	-86.3	0	0	0	113.9	P56 M123 V126 L127 L130 L154 V155 G160	P56-F158 WeakPolarHBondContact CB-O 3.5Å; M123-F158 HydrophobicContact CB-CD1 4.48Å; V126-F158 HydrophobicContact CB-CD1 4.23Å; V126-F158 HydrophobicContact CB-CE1 4.05Å; V126-F158 HydrophobicContact CG1-CD1 3.89Å; V126-F158 HydrophobicContact CG1-CD2 4.17Å; V126-F158 HydrophobicContact CG1-CE1 3.68Å; V126-F158 HydrophobicContact CG1-CE2 3.98Å; V126-F158 HydrophobicContact CG1-CG 4.14Å; V126-F158 HydrophobicContact CG1-CZ 3.74Å; V126-F158 HydrophobicContact CG2-CE1 4.5Å; L127-F158 HydrophobicContact CB-CB 4.37Å; L127-F158 HydrophobicContact CD1-CB 4.12Å; L130-F158 HydrophobicContact CD1-CB 4.4Å; L130-F158 HydrophobicContact CD1-CD2 4.04Å; L130-F158 HydrophobicContact CD1-CG 4.38Å; L154-F158 HydrophobicContact CD2-CE2 4.41Å; L154-F158 WeakPolarHBondContact O-CD2 3.29Å; L154-F158 PolarHBondContact O-N 3.41Å; V155-F158 PolarHBondContact O-N 2.92Å; F158-G160 PolarHBondContact O-N 3.3Å
159	S	88.5	Confident	91.1	Very high	11 Å²	11	65.9 Å²	65.9	8%	0.077	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.4	170.8	-64.7	0	0	0	0	112.5	Y55 V155 V157 F168	Y55-S159 WeakPolarHBondContact CE2-O 3.34Å; Y55-S159 PolarHBondContact OH-O 3.14Å; V155-S159 WeakPolarHBondContact O-CB 3.42Å; V155-S159 PolarHBondContact O-N 3.42Å; V155-S159 PolarHBondContact O-OG 3.45Å; V157-S159 VanDerWaalsContact C-N 3.32Å; V157-S159 PolarHBondContact O-N 3.09Å; S159-F168 WeakPolarHBondContact OG-CE1 3.33Å
160	G	82	Confident	91.1	Very high	37 Å²	37	61.6 Å²	61.6	38%	0.381	30%	0.3	S	S	.	.			trans	63.1	-159.3	179.6	0	0	0	0	0	113.6	V157 F158	V157-G160 PolarHBondContact O-N 2.86Å; F158-G160 PolarHBondContact O-N 3.3Å
161	R	78.6	Confident	91	Very high	239 Å²	239	57.9 Å²	57.9	90%	0.902	28%	0.281	S	S	*	.	S	Bend	trans	-116.2	136.2	-169.3	-62.7	-177.1	-179.2	-178.4	-0.1	112
162	K	83.9	Confident	91.1	Very high	196 Å²	196	57.2 Å²	57.2	85%	0.852	28%	0.279	S	S	*	.	S	Bend	trans	57	64.6	172.6	-61.3	179.5	175.6	178.9	0	114.1
163	P	90.9	Very high	91.2	Very high	37 Å²	37	56 Å²	56	24%	0.24	27%	0.273	C	S	.	.			trans	-64	142	176.1	28.4	-35	0	0	0	112.1	Y55 F168 P294 M296	Y55-P163 HydrophobicContact CE2-CB 4.18Å; P163-F168 HydrophobicContact CB-CD2 4.25Å; P163-F168 HydrophobicContact CB-CE2 3.46Å; P163-F168 VanDerWaalsContact CB-CE2 3.46Å; P163-F168 HydrophobicContact CB-CZ 4.12Å; P163-F168 HydrophobicContact CG-CE2 3.79Å; P163-F168 HydrophobicContact CG-CZ 4.29Å; P163-P294 HydrophobicContact CB-CG 4.04Å; P163-P294 HydrophobicContact CG-CG 4.26Å; P163-M296 HydrophobicContact CG-CE 4.22Å
164	L	93.2	Very high	91.2	Very high	39 Å²	39	56.3 Å²	56.3	20%	0.204	27%	0.267	C	S	.	.			trans	-86.9	164.8	165.6	-64.1	179.4	0	0	0	109.2	N48 M51 T52 Y166 S167 A290 P294	N48-L164 HydrophobicContact CB-CD1 3.81Å; M51-L164 HydrophobicContact CB-CD1 4.33Å; T52-L164 HydrophobicContact CG2-CB 3.84Å; T52-L164 HydrophobicContact CG2-CD1 4.16Å; L164-Y166 PolarHBondContact O-N 2.83Å; L164-S167 PolarHBondContact N-OG 2.88Å; L164-S167 VanDerWaalsContact O-CB 3.26Å; L164-S167 WeakPolarHBondContact O-CB 3.32Å; L164-S167 PolarHBondContact O-N 2.91Å; L164-S167 PolarHBondContact O-OG 2.69Å; L164-A290 HydrophobicContact CB-CB 4.36Å; L164-A290 WeakPolarHBondContact CB-O 3.08Å; L164-P294 WeakPolarHBondContact O-CG 3.43Å
165	L	94.3	Very high	91.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-46.2	-174.2	-174.4	59.1	0	0	0	113.4	L287 A290 I292 S305 F308	L165-L287 HydrophobicContact CD2-CD1 3.44Å; L165-L287 VanDerWaalsContact CD2-CD1 3.44Å; L165-A290 HydrophobicContact CB-CB 4.19Å; L165-A290 PolarHBondContact N-O 3.14Å; L165-I292 WeakPolarHBondContact CA-O 3.42Å; L165-I292 VanDerWaalsContact CB-O 3.28Å; L165-I292 WeakPolarHBondContact CB-O 3.22Å; L165-I292 HydrophobicContact CD1-CB 4.2Å; L165-I292 HydrophobicContact CD1-CG2 4.12Å; L165-I292 HydrophobicContact CD2-CB 4.28Å; L165-I292 PolarHBondContact N-O 2.96Å; L165-S305 PolarHBondContact O-OG 2.96Å; L165-F308 HydrophobicContact CD1-CD2 4.32Å; L165-F308 HydrophobicContact CD1-CE2 4.44Å; L165-F308 HydrophobicContact CD2-CB 4.05Å; L165-F308 HydrophobicContact CD2-CG 4.25Å
166	Y	95	Very high	91.4	Very high	54 Å²	54	56.2 Å²	56.2	21%	0.212	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	5.2	-174.7	-53.8	-61	0	0	0	114.7	L164 F168 Q169 A290 S305	L164-Y166 PolarHBondContact O-N 2.83Å; Y166-F168 PolarHBondContact O-N 2.91Å; Y166-F168 VanDerWaalsContact O-N 3.16Å; Y166-Q169 HydrophobicContact CD1-CG 4.22Å; Y166-Q169 PolarHBondContact O-N 2.82Å; Y166-Q169 VanDerWaalsContact O-N 3.17Å; Y166-A290 HydrophobicContact CD2-CB 3.76Å; Y166-A290 HydrophobicContact CE2-CB 4.09Å; Y166-S305 WeakPolarHBondContact CE1-O 3.23Å
167	S	93.6	Very high	91.5	Very high	6 Å²	6	51 Å²	51	4%	0.042	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-38.5	-175.8	-77.9	0	0	0	0	113.3	Y55 L164	Y55-S167 WeakPolarHBondContact CD1-O 3.29Å; L164-S167 PolarHBondContact N-OG 2.88Å; L164-S167 VanDerWaalsContact O-CB 3.26Å; L164-S167 WeakPolarHBondContact O-CB 3.32Å; L164-S167 PolarHBondContact O-N 2.91Å; L164-S167 PolarHBondContact O-OG 2.69Å
168	F	94.5	Very high	91.8	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.8	-175.7	-65.6	-81.3	0	0	0	114.9	Y55 L127 S159 P163 Y166 N170 A171 L172 P294 M296 P302	Y55-F168 AromaticContact CE1-CD1 3.72Å; Y55-F168 HydrophobicContact CE1-CD1 3.72Å; Y55-F168 AromaticContact CE1-CE1 3.66Å; Y55-F168 HydrophobicContact CE1-CE1 3.66Å; Y55-F168 HydrophobicContact CE1-CG 4.23Å; Y55-F168 HydrophobicContact CE1-CZ 4.1Å; Y55-F168 AromaticContact CZ-CE1 3.87Å; Y55-F168 AromaticContact CZ-CZ 3.86Å; Y55-F168 WeakPolarHBondContact OH-CE1 3.42Å; Y55-F168 WeakPolarHBondContact OH-CE2 3.44Å; Y55-F168 WeakPolarHBondContact OH-CZ 3.34Å; L127-F168 HydrophobicContact CD2-CD1 4.2Å; L127-F168 HydrophobicContact CD2-CE1 4.19Å; S159-F168 WeakPolarHBondContact OG-CE1 3.33Å; P163-F168 HydrophobicContact CB-CD2 4.25Å; P163-F168 HydrophobicContact CB-CE2 3.46Å; P163-F168 VanDerWaalsContact CB-CE2 3.46Å; P163-F168 HydrophobicContact CB-CZ 4.12Å; P163-F168 HydrophobicContact CG-CE2 3.79Å; P163-F168 HydrophobicContact CG-CZ 4.29Å; Y166-F168 PolarHBondContact O-N 2.91Å; Y166-F168 VanDerWaalsContact O-N 3.16Å; F168-N170 PolarHBondContact O-N 2.82Å; F168-A171 CarbonylContact O-C 3.51Å; F168-A171 WeakPolarHBondContact O-CA 3.34Å; F168-A171 PolarHBondContact O-N 3.37Å; F168-L172 HydrophobicContact CB-CG 4.38Å; F168-L172 WeakPolarHBondContact O-CG 2.88Å; F168-L172 PolarHBondContact O-N 3.25Å; F168-P294 HydrophobicContact CD2-CB 4.23Å; F168-P294 HydrophobicContact CD2-CG 4.1Å; F168-P294 HydrophobicContact CE2-CB 4.44Å; F168-P294 HydrophobicContact CE2-CG 4.19Å; F168-M296 HydrophobicContact CD2-CE 4.1Å; F168-M296 HydrophobicContact CE2-CE 3.19Å; F168-M296 HydrophobicContact CZ-CE 3.5Å; F168-P302 HydrophobicContact CB-CB 3.91Å; F168-P302 HydrophobicContact CB-CG 4.14Å; F168-P302 HydrophobicContact CD1-CB 3.86Å; F168-P302 HydrophobicContact CD1-CG 3.56Å; F168-P302 HydrophobicContact CD2-CB 3.59Å; F168-P302 HydrophobicContact CD2-CG 4.25Å; F168-P302 HydrophobicContact CE1-CB 4.19Å; F168-P302 HydrophobicContact CE1-CG 3.88Å; F168-P302 HydrophobicContact CE2-CB 3.97Å; F168-P302 HydrophobicContact CG-CB 3.51Å; F168-P302 HydrophobicContact CG-CG 3.73Å; F168-P302 HydrophobicContact CZ-CB 4.22Å; F168-P302 HydrophobicContact CZ-CG 4.35Å
169	Q	93.3	Very high	92.1	Very high	21 Å²	21	47 Å²	47	10%	0.098	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.5	-170	-65.2	-47.2	-61.7	0	0	113.7	Y166 C304 R597	Y166-Q169 HydrophobicContact CD1-CG 4.22Å; Y166-Q169 PolarHBondContact O-N 2.82Å; Y166-Q169 VanDerWaalsContact O-N 3.17Å; Q169-C304 PolarHBondContact OE1-SG 3.24Å; Q169-R597 WeakPolarHBondContact O-CD 3.26Å; Q169-R597 PolarHBondContact O-NH1 3.27Å
170	N	89.4	Confident	92.6	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.332	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.1	177.4	-67.9	-39.1	0	0	0	114	R124 F168 R597	R124-N170 WeakPolarHBondContact CD-O 3.44Å; F168-N170 PolarHBondContact O-N 2.82Å; N170-R597 PolarHBondContact OD1-NH1 2.83Å
171	A	92.7	Very high	93.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-14.9	177.4	0	0	0	0	0	113	R124 L127 K128 F168	R124-A171 HydrophobicContact CG-CB 4.21Å; L127-A171 HydrophobicContact CB-CB 4.5Å; L127-A171 HydrophobicContact CD2-CB 3.75Å; L127-A171 HydrophobicContact CG-CB 4.11Å; K128-A171 WeakPolarHBondContact CA-O 2.88Å; K128-A171 VanDerWaalsContact CB-O 3.3Å; K128-A171 WeakPolarHBondContact CB-O 3.44Å; F168-A171 CarbonylContact O-C 3.51Å; F168-A171 WeakPolarHBondContact O-CA 3.34Å; F168-A171 PolarHBondContact O-N 3.37Å
172	L	95.5	Very high	94.2	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	21%	0.213	C	C	.	.	S	Bend	trans	-65.5	142.6	176.6	-71.8	169.7	0	0	0	111.3	L131 F168 P302 C304 R597	L131-L172 HydrophobicContact CD1-CD2 4.39Å; F168-L172 HydrophobicContact CB-CG 4.38Å; F168-L172 WeakPolarHBondContact O-CG 2.88Å; F168-L172 PolarHBondContact O-N 3.25Å; L172-P302 HydrophobicContact CD2-CG 4.24Å; L172-C304 HydrophobicContact CD1-CB 3.79Å; L172-R597 HydrophobicContact CB-CB 4.1Å
173	P	95.4	Very high	94.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.026	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-64.9	158	172.8	27.6	-33.2	0	0	0	111.3	L131 L595 F596 R597	L131-P173 HydrophobicContact CB-CG 4.45Å; P173-L595 WeakPolarHBondContact CD-O 3.48Å; P173-F596 HydrophobicContact CB-CD1 4.02Å; P173-F596 HydrophobicContact CB-CE1 4.34Å; P173-F596 HydrophobicContact CG-CD1 3.7Å; P173-F596 HydrophobicContact CG-CE1 4.02Å; P173-F596 CarbonylContact O-C 3.53Å; P173-F596 WeakPolarHBondContact O-CA 3.43Å; P173-R597 PolarHBondContact O-N 3.35Å
174	R	93.9	Very high	95.2	Very high	105 Å²	105	31.8 Å²	31.8	40%	0.396	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-78.9	151.6	167.6	-61.9	-174.2	-177.1	167.9	-3.1	108.6	S226 W227 S230 F596	R174-S226 PolarHBondContact NH1-O 3.44Å; R174-W227 VanDerWaalsContact NH1-C 3.33Å; R174-W227 PolarHBondContact NH1-O 3.03Å; R174-W227 PolarHBondContact NH2-O 2.95Å; R174-S230 WeakPolarHBondContact CG-O 3.26Å; R174-F596 VanDerWaalsContact O-CD1 3.22Å; R174-F596 WeakPolarHBondContact O-CD1 3.45Å
175	L	95.6	Very high	95.4	Very high	12 Å²	12	35 Å²	35	6%	0.063	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-58.6	125.7	174.3	-171.8	72.2	0	0	0	109.2	Y232 V233 T593 F596	L175-Y232 HydrophobicContact CB-CD1 4.43Å; L175-Y232 HydrophobicContact CB-CE1 4.16Å; L175-Y232 HydrophobicContact CD2-CD1 4.4Å; L175-Y232 HydrophobicContact CD2-CE1 3.76Å; L175-Y232 HydrophobicContact CG-CE1 3.95Å; L175-V233 HydrophobicContact CD2-CB 4.12Å; L175-V233 HydrophobicContact CD2-CG2 3.54Å; L175-T593 HydrophobicContact CD1-CG2 4.21Å; L175-F596 HydrophobicContact CB-CB 4.14Å; L175-F596 HydrophobicContact CB-CG 4.25Å; L175-F596 HydrophobicContact CD1-CB 4.21Å; L175-F596 HydrophobicContact CD1-CD2 3.33Å; L175-F596 HydrophobicContact CD1-CE2 3.82Å; L175-F596 HydrophobicContact CD1-CG 3.81Å
176	P	95.3	Very high	95.5	Very high	54 Å²	54	37.3 Å²	37.3	35%	0.351	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-67.2	151.7	178.7	27.5	-34.6	0	0	0	110.7	P178 Y232 F596 T647	P176-P178 WeakPolarHBondContact O-CD 3.18Å; P176-Y232 WeakPolarHBondContact O-CE1 3.33Å; P176-Y232 PolarHBondContact O-OH 2.99Å; P176-F596 VanDerWaalsContact CD-CZ 3.48Å; P176-F596 HydrophobicContact CG-CE1 4.23Å; P176-F596 HydrophobicContact CG-CZ 4.06Å; P176-T647 VanDerWaalsContact CG-O 3.29Å; P176-T647 WeakPolarHBondContact CG-O 3.28Å
177	L	95.4	Very high	95.6	Very high	40 Å²	40	35 Å²	35	21%	0.209	17%	0.171	C	C	.	.			trans	-99.8	112.1	175.7	-178.5	64.7	0	0	0	108.8	L222 K223 Y232	L177-L222 HydrophobicContact CD1-CB 4.01Å; L177-L222 HydrophobicContact CD1-CD1 4.16Å; L177-L222 HydrophobicContact CD2-CB 3.9Å; L177-K223 HydrophobicContact CD2-CB 4.35Å; L177-K223 HydrophobicContact CD2-CG 3.67Å; L177-Y232 HydrophobicContact CB-CE1 4.41Å; L177-Y232 HydrophobicContact CD1-CD2 4.16Å; L177-Y232 HydrophobicContact CD1-CE1 4.21Å; L177-Y232 HydrophobicContact CD1-CE2 3.64Å
178	P	96.1	Very high	95.8	Very high	20 Å²	20	36 Å²	36	13%	0.13	18%	0.176	C	C	.	.			trans	-62.6	162	177.4	-21.4	33.3	0	0	0	112.5	P176 Q219 Y232 H654	P176-P178 WeakPolarHBondContact O-CD 3.18Å; P178-Q219 PolarHBondContact O-NE2 3.16Å; P178-Y232 WeakPolarHBondContact CD-OH 3.35Å; P178-H654 HydrophobicContact CG-CB 4.29Å; P178-H654 PolarHBondContact O-CE1 3.49Å
179	S	97.3	Very high	95.9	Very high	44 Å²	44	39.8 Å²	39.8	31%	0.308	19%	0.193	S	C	.	.			trans	-76.6	149.9	171.2	81	0	0	0	0	110.6	Q181 D182 T183	S179-Q181 VanDerWaalsContact C-N 3.29Å; S179-Q181 PolarHBondContact O-N 2.93Å; S179-D182 PolarHBondContact O-N 2.71Å; S179-D182 VanDerWaalsContact OG-CB 3.25Å; S179-D182 WeakPolarHBondContact OG-CB 3.32Å; S179-D182 VanDerWaalsContact OG-CG 3.25Å; S179-D182 PolarHBondContact OG-N 3.17Å; S179-D182 PolarHBondContact OG-OD2 3.4Å; S179-T183 WeakPolarHBondContact O-CB 3.47Å; S179-T183 PolarHBondContact O-N 3.24Å; S179-T183 VanDerWaalsContact O-N 3.09Å; S179-T183 PolarHBondContact O-OG1 3.35Å
180	V	98	Very high	96.1	Very high	13 Å²	13	39.4 Å²	39.4	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-43	174.3	175	0	0	0	0	110.2	D182 T183 C184 F210 E211 Q219	V180-D182 PolarHBondContact O-N 2.8Å; V180-T183 WeakPolarHBondContact O-CB 3.32Å; V180-T183 PolarHBondContact O-N 2.88Å; V180-C184 WeakPolarHBondContact O-CB 3.41Å; V180-C184 PolarHBondContact O-N 2.93Å; V180-C184 PolarHBondContact O-SG 2.9Å; V180-C184 VanDerWaalsContact O-SG 3.39Å; V180-F210 HydrophobicContact CG1-CD1 4.23Å; V180-F210 HydrophobicContact CG1-CE1 3.97Å; V180-E211 HydrophobicContact CG1-CB 4.5Å; V180-E211 HydrophobicContact CG1-CG 4.38Å; V180-Q219 HydrophobicContact CG2-CB 3.65Å; V180-Q219 HydrophobicContact CG2-CG 3.91Å
181	Q	97.4	Very high	96.3	Very high	124 Å²	124	36.8 Å²	36.8	58%	0.579	18%	0.179	S	C	*	.	H	α-helix	trans	-58.1	-48.9	178.2	-178.6	175	34.6	0	0	112.7	S179 T183 C184 R185 E211	S179-Q181 VanDerWaalsContact C-N 3.29Å; S179-Q181 PolarHBondContact O-N 2.93Å; Q181-T183 VanDerWaalsContact C-N 3.27Å; Q181-T183 PolarHBondContact O-N 3.04Å; Q181-C184 PolarHBondContact O-N 2.91Å; Q181-R185 VanDerWaalsContact O-CB 3.32Å; Q181-R185 WeakPolarHBondContact O-CB 3.12Å; Q181-R185 PolarHBondContact O-N 2.8Å; Q181-E211 WeakPolarHBondContact CB-OE1 3.35Å; Q181-E211 VanDerWaalsContact CG-OE1 3.28Å; Q181-E211 WeakPolarHBondContact CG-OE1 3.35Å
182	D	96.9	Very high	96.5	Very high	59 Å²	59	40.5 Å²	40.5	32%	0.316	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-36.6	177.3	-76.9	-55.4	0	0	0	112	S179 V180 R185 R186	S179-D182 PolarHBondContact O-N 2.71Å; S179-D182 VanDerWaalsContact OG-CB 3.25Å; S179-D182 WeakPolarHBondContact OG-CB 3.32Å; S179-D182 VanDerWaalsContact OG-CG 3.25Å; S179-D182 PolarHBondContact OG-N 3.17Å; S179-D182 PolarHBondContact OG-OD2 3.4Å; V180-D182 PolarHBondContact O-N 2.8Å; D182-R185 IonicContact OD1-CZ 2.97Å; D182-R185 IonicContact OD1-NE 3.93Å; D182-R185 IonicContact OD1-NH2 3.77Å; D182-R185 PolarHBondContact OD1-NH2 3.05Å; D182-R185 VanDerWaalsContact OD1-NH2 3.08Å; D182-R186 VanDerWaalsContact O-CB 3.31Å; D182-R186 WeakPolarHBondContact O-CB 3.35Å; D182-R186 VanDerWaalsContact O-CG 3.23Å; D182-R186 WeakPolarHBondContact O-CG 3.18Å; D182-R186 PolarHBondContact O-N 2.8Å
183	T	97.7	Very high	96.5	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-49.3	179.4	-56.2	0	0	0	0	110.8	S179 V180 Q181 Y187 I651 H654 L655	S179-T183 WeakPolarHBondContact O-CB 3.47Å; S179-T183 PolarHBondContact O-N 3.24Å; S179-T183 VanDerWaalsContact O-N 3.09Å; S179-T183 PolarHBondContact O-OG1 3.35Å; V180-T183 WeakPolarHBondContact O-CB 3.32Å; V180-T183 PolarHBondContact O-N 2.88Å; Q181-T183 VanDerWaalsContact C-N 3.27Å; Q181-T183 PolarHBondContact O-N 3.04Å; T183-Y187 WeakPolarHBondContact O-CB 3.49Å; T183-Y187 PolarHBondContact O-N 3.12Å; T183-I651 HydrophobicContact CG2-CB 3.98Å; T183-I651 HydrophobicContact CG2-CG2 4.12Å; T183-H654 HydrophobicContact CG2-CB 4.46Å; T183-H654 PolarHBondContact OG1-CE1 3.41Å; T183-H654 PolarHBondContact OG1-ND1 2.99Å; T183-L655 HydrophobicContact CG2-CD1 4.27Å; T183-L655 HydrophobicContact CG2-CD2 3.88Å; T183-L655 HydrophobicContact CG2-CG 3.69Å
184	C	97.9	Very high	96.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-49.1	174.9	-75.8	0	0	0	0	111.8	V180 Q181 Y187 L188 S207	V180-C184 WeakPolarHBondContact O-CB 3.41Å; V180-C184 PolarHBondContact O-N 2.93Å; V180-C184 PolarHBondContact O-SG 2.9Å; V180-C184 VanDerWaalsContact O-SG 3.39Å; Q181-C184 PolarHBondContact O-N 2.91Å; C184-Y187 PolarHBondContact O-N 3.15Å; C184-L188 WeakPolarHBondContact O-CG 3.15Å; C184-L188 PolarHBondContact O-N 3.32Å; C184-S207 VanDerWaalsContact CB-OG 3.28Å; C184-S207 WeakPolarHBondContact CB-OG 3.49Å
185	R	97.8	Very high	96.5	Very high	108 Å²	108	40.2 Å²	40.2	41%	0.408	20%	0.199	S	C	.	.	H	α-helix	trans	-59.1	-52	178.9	-179.9	-177.9	59.3	83.7	-5.3	112	Q181 D182 Y187 L188 E189	Q181-R185 VanDerWaalsContact O-CB 3.32Å; Q181-R185 WeakPolarHBondContact O-CB 3.12Å; Q181-R185 PolarHBondContact O-N 2.8Å; D182-R185 IonicContact OD1-CZ 2.97Å; D182-R185 IonicContact OD1-NE 3.93Å; D182-R185 IonicContact OD1-NH2 3.77Å; D182-R185 PolarHBondContact OD1-NH2 3.05Å; D182-R185 VanDerWaalsContact OD1-NH2 3.08Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 3.03Å; R185-L188 PolarHBondContact O-N 2.81Å; R185-E189 IonicContact CZ-OE1 3.78Å; R185-E189 IonicContact NH1-OE1 3.12Å; R185-E189 PolarHBondContact NH1-OE1 3.19Å; R185-E189 IonicContact NH1-OE2 2.71Å; R185-E189 WeakPolarHBondContact O-CG 3.42Å; R185-E189 PolarHBondContact O-N 3.48Å
186	R	97.3	Very high	96.5	Very high	48 Å²	48	43.4 Å²	43.4	18%	0.181	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-32.4	-179.5	-68.9	173.6	-164.9	-165.8	0.6	112.1	D182 E189 S190 Q649 I651	D182-R186 VanDerWaalsContact O-CB 3.31Å; D182-R186 WeakPolarHBondContact O-CB 3.35Å; D182-R186 VanDerWaalsContact O-CG 3.23Å; D182-R186 WeakPolarHBondContact O-CG 3.18Å; D182-R186 PolarHBondContact O-N 2.8Å; R186-E189 PolarHBondContact O-N 3.22Å; R186-S190 WeakPolarHBondContact O-CB 3.26Å; R186-S190 PolarHBondContact O-N 3.15Å; R186-Q649 PolarHBondContact NH1-O 2.83Å; R186-I651 HydrophobicContact CB-CG2 3.69Å
187	Y	97.4	Very high	96.5	Very high	5 Å²	5	46 Å²	46	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-51.6	171.5	168.4	-98.6	0	0	0	111	T183 C184 R185 E189 S190 V191 M203 I651 L655 F671 V675	T183-Y187 WeakPolarHBondContact O-CB 3.49Å; T183-Y187 PolarHBondContact O-N 3.12Å; C184-Y187 PolarHBondContact O-N 3.15Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 3.03Å; Y187-E189 VanDerWaalsContact C-N 3.32Å; Y187-E189 PolarHBondContact O-N 3.4Å; Y187-S190 WeakPolarHBondContact O-CA 3.48Å; Y187-S190 WeakPolarHBondContact O-CB 3.01Å; Y187-S190 PolarHBondContact O-N 3.03Å; Y187-S190 PolarHBondContact O-OG 3.07Å; Y187-V191 HydrophobicContact CD2-CG1 4.03Å; Y187-V191 HydrophobicContact CE1-CG1 4.32Å; Y187-V191 HydrophobicContact CE1-CG2 4.02Å; Y187-V191 HydrophobicContact CE2-CG1 3.42Å; Y187-V191 VanDerWaalsContact CE2-CG1 3.42Å; Y187-V191 PolarHBondContact O-N 2.97Å; Y187-M203 HydrophobicContact CE1-CG 3.73Å; Y187-M203 HydrophobicContact CE1-SD 3.58Å; Y187-M203 VanDerWaalsContact CE1-SD 3.58Å; Y187-I651 HydrophobicContact CD2-CD1 4.47Å; Y187-L655 HydrophobicContact CD2-CD1 4.21Å; Y187-F671 AromaticContact CD1-CE2 3.75Å; Y187-F671 HydrophobicContact CD1-CE2 3.75Å; Y187-F671 AromaticContact CD1-CZ 3.86Å; Y187-F671 HydrophobicContact CD1-CZ 3.86Å; Y187-F671 AromaticContact CE1-CE2 3.7Å; Y187-F671 HydrophobicContact CE1-CE2 3.7Å; Y187-F671 HydrophobicContact CE1-CZ 4.19Å; Y187-F671 HydrophobicContact CG-CZ 4.4Å; Y187-V675 HydrophobicContact CD1-CG2 4.27Å; Y187-V675 HydrophobicContact CD2-CG1 3.85Å; Y187-V675 HydrophobicContact CD2-CG2 4.31Å; Y187-V675 HydrophobicContact CE1-CG2 3.67Å; Y187-V675 HydrophobicContact CE2-CB 3.98Å; Y187-V675 HydrophobicContact CE2-CG1 3.51Å; Y187-V675 HydrophobicContact CE2-CG2 3.72Å; Y187-V675 WeakPolarHBondContact OH-CG2 3.5Å
188	L	97.7	Very high	96.6	Very high	26 Å²	26	52 Å²	52	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-43.6	177	-69.1	172.3	0	0	0	111.5	C184 R185 S190 V191 R192 F200 M203 K204	C184-L188 WeakPolarHBondContact O-CG 3.15Å; C184-L188 PolarHBondContact O-N 3.32Å; R185-L188 PolarHBondContact O-N 2.81Å; L188-S190 VanDerWaalsContact C-N 3.26Å; L188-S190 PolarHBondContact O-N 3Å; L188-V191 PolarHBondContact O-N 3.12Å; L188-R192 PolarHBondContact O-N 2.92Å; L188-R192 VanDerWaalsContact O-N 3.15Å; L188-F200 HydrophobicContact CB-CE2 4.26Å; L188-F200 HydrophobicContact CB-CZ 4.27Å; L188-F200 HydrophobicContact CD2-CE2 4.3Å; L188-F200 WeakPolarHBondContact O-CE2 3.34Å; L188-M203 HydrophobicContact CD2-CB 4.44Å; L188-M203 HydrophobicContact CD2-CG 3.79Å; L188-K204 HydrophobicContact CD1-CB 4.46Å; L188-K204 HydrophobicContact CD1-CG 4.34Å; L188-K204 HydrophobicContact CD2-CB 4.34Å
189	E	96.7	Very high	96.6	Very high	82 Å²	82	55.1 Å²	55.1	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-56.5	-40	173	-71.5	172.3	-154.6	0	0	112.2	R185 R186 Y187 K637	R185-E189 IonicContact CZ-OE1 3.78Å; R185-E189 IonicContact NH1-OE1 3.12Å; R185-E189 PolarHBondContact NH1-OE1 3.19Å; R185-E189 IonicContact NH1-OE2 2.71Å; R185-E189 WeakPolarHBondContact O-CG 3.42Å; R185-E189 PolarHBondContact O-N 3.48Å; R186-E189 PolarHBondContact O-N 3.22Å; Y187-E189 VanDerWaalsContact C-N 3.32Å; Y187-E189 PolarHBondContact O-N 3.4Å; E189-K637 IonicContact OE2-NZ 2.76Å
190	S	96	Very high	96.6	Very high	14 Å²	14	54.5 Å²	54.5	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-75.1	-30.2	-177.1	77.9	0	0	0	0	114.7	R186 Y187 L188 R605	R186-S190 WeakPolarHBondContact O-CB 3.26Å; R186-S190 PolarHBondContact O-N 3.15Å; Y187-S190 WeakPolarHBondContact O-CA 3.48Å; Y187-S190 WeakPolarHBondContact O-CB 3.01Å; Y187-S190 PolarHBondContact O-N 3.03Å; Y187-S190 PolarHBondContact O-OG 3.07Å; L188-S190 VanDerWaalsContact C-N 3.26Å; L188-S190 PolarHBondContact O-N 3Å; S190-R605 WeakPolarHBondContact OG-CD 3.26Å; S190-R605 PolarHBondContact OG-NH1 3.06Å
191	V	95.4	Very high	96.6	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.036	28%	0.277	C	S	.	.	H	α-helix	trans	-94.4	-12.8	-177.6	-60.5	0	0	0	0	113.3	Y187 L188 P193 L194 M195	Y187-V191 HydrophobicContact CD2-CG1 4.03Å; Y187-V191 HydrophobicContact CE1-CG1 4.32Å; Y187-V191 HydrophobicContact CE1-CG2 4.02Å; Y187-V191 HydrophobicContact CE2-CG1 3.42Å; Y187-V191 VanDerWaalsContact CE2-CG1 3.42Å; Y187-V191 PolarHBondContact O-N 2.97Å; L188-V191 PolarHBondContact O-N 3.12Å; V191-P193 VanDerWaalsContact C-CD 3.43Å; V191-P193 VanDerWaalsContact C-N 3.34Å; V191-L194 WeakPolarHBondContact O-CA 3.42Å; V191-L194 WeakPolarHBondContact O-CB 3.29Å; V191-L194 PolarHBondContact O-N 2.62Å; V191-M195 HydrophobicContact CB-CE 4.03Å; V191-M195 HydrophobicContact CB-SD 4.14Å; V191-M195 HydrophobicContact CG2-CE 4.13Å; V191-M195 HydrophobicContact CG2-SD 3.9Å; V191-M195 PolarHBondContact O-N 2.97Å
192	R	95.8	Very high	96.6	Very high	80 Å²	80	59.3 Å²	59.3	30%	0.302	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-49.5	-43.9	177	-177.8	56.9	-171.8	153.5	0.3	114.6	L188 L194 D197 F200 M609	L188-R192 PolarHBondContact O-N 2.92Å; L188-R192 VanDerWaalsContact O-N 3.15Å; R192-L194 PolarHBondContact O-N 2.9Å; R192-D197 IonicContact CZ-OD1 3.64Å; R192-D197 IonicContact NH1-OD1 3.75Å; R192-D197 PolarHBondContact NH1-OD1 3.45Å; R192-D197 IonicContact NH2-OD1 3.87Å; R192-D197 PolarHBondContact NH2-OD1 2.99Å; R192-F200 HydrophobicContact CB-CD2 4.27Å; R192-F200 HydrophobicContact CB-CE2 3.81Å; R192-F200 HydrophobicContact CB-CZ 4.31Å; R192-F200 HydrophobicContact CG-CE2 4.31Å; R192-F200 HydrophobicContact CG-CZ 4.5Å; R192-M609 HydrophobicContact CB-CG 4.38Å; R192-M609 HydrophobicContact CB-SD 4.41Å; R192-M609 HydrophobicContact CG-CG 4.22Å; R192-M609 HydrophobicContact CG-SD 3.91Å
193	P	95.4	Very high	96.6	Very high	15 Å²	15	56.5 Å²	56.5	10%	0.097	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-71.2	-9.7	178.3	26.6	-33.8	0	0	0	114.5	V191 M609 C612	V191-P193 VanDerWaalsContact C-CD 3.43Å; V191-P193 VanDerWaalsContact C-N 3.34Å; P193-M609 HydrophobicContact CB-SD 3.81Å; P193-M609 HydrophobicContact CG-SD 4.4Å; P193-C612 HydrophobicContact CB-CB 4.4Å; P193-C612 WeakPolarHBondContact CB-SG 3.41Å
194	L	94.8	Very high	96.6	Very high	51 Å²	51	60.6 Å²	60.6	27%	0.267	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-103.3	-7.5	-173.8	-54.5	178.2	0	0	0	113.4	V191 R192 F584 L586	V191-L194 WeakPolarHBondContact O-CA 3.42Å; V191-L194 WeakPolarHBondContact O-CB 3.29Å; V191-L194 PolarHBondContact O-N 2.62Å; R192-L194 PolarHBondContact O-N 2.9Å; L194-F584 HydrophobicContact CD2-CB 4.12Å; L194-L586 HydrophobicContact CD1-CB 3.93Å; L194-L586 HydrophobicContact CD1-CD1 3.79Å; L194-L586 HydrophobicContact CD1-CG 4.46Å
195	M	94.3	Very high	96.6	Very high	40 Å²	40	63.5 Å²	63.5	20%	0.197	30%	0.301	C	S	.	.	S	Bend	trans	-127.4	148	-172.6	-66.7	176.9	175.9	0	0	110.7	V191 Q199 F200 M203	V191-M195 HydrophobicContact CB-CE 4.03Å; V191-M195 HydrophobicContact CB-SD 4.14Å; V191-M195 HydrophobicContact CG2-CE 4.13Å; V191-M195 HydrophobicContact CG2-SD 3.9Å; V191-M195 PolarHBondContact O-N 2.97Å; M195-Q199 HydrophobicContact CB-CB 4Å; M195-Q199 HydrophobicContact CG-CB 4.35Å; M195-F200 HydrophobicContact CB-CB 4.38Å; M195-M203 HydrophobicContact CE-CE 4.28Å; M195-M203 HydrophobicContact CE-CG 4.47Å; M195-M203 HydrophobicContact SD-CB 4.17Å; M195-M203 HydrophobicContact SD-CG 4.37Å
196	D	95.5	Very high	96.6	Very high	78 Å²	78	60.2 Å²	60.2	42%	0.417	29%	0.291	S	S	.	.			trans	-72.5	176.5	165	65.9	45.9	0	0	0	111.8	E198 Q199 F200	D196-E198 PolarHBondContact O-N 2.8Å; D196-E198 PolarHBondContact OD1-N 3.38Å; D196-Q199 WeakPolarHBondContact OD1-CB 3.33Å; D196-Q199 VanDerWaalsContact OD1-CG 3.23Å; D196-Q199 WeakPolarHBondContact OD1-CG 3.37Å; D196-Q199 PolarHBondContact OD1-N 3.2Å; D196-Q199 PolarHBondContact OD2-NE2 2.86Å; D196-Q199 PolarHBondContact OD2-OE1 3.41Å; D196-F200 WeakPolarHBondContact O-CB 3.28Å; D196-F200 PolarHBondContact O-N 2.97Å
197	D	96.6	Very high	96.6	Very high	108 Å²	108	58 Å²	58	58%	0.578	28%	0.283	S	S	*	.	H	α-helix	trans	-66.5	-36.4	-175.8	-69	-12	0	0	0	113.1	R192 E201	R192-D197 IonicContact CZ-OD1 3.64Å; R192-D197 IonicContact NH1-OD1 3.75Å; R192-D197 PolarHBondContact NH1-OD1 3.45Å; R192-D197 IonicContact NH2-OD1 3.87Å; R192-D197 PolarHBondContact NH2-OD1 2.99Å; D197-E201 PolarHBondContact O-N 2.95Å
198	E	97	Very high	96.6	Very high	167 Å²	167	63.7 Å²	63.7	78%	0.78	31%	0.308	S	S	*	.	H	α-helix	trans	-70.6	-48.2	-179.5	-174.5	-179.7	172.8	0	0	110.6	D196 F200 E201 R202	D196-E198 PolarHBondContact O-N 2.8Å; D196-E198 PolarHBondContact OD1-N 3.38Å; E198-F200 VanDerWaalsContact C-N 3.29Å; E198-F200 PolarHBondContact O-N 3.31Å; E198-E201 PolarHBondContact O-N 3.15Å; E198-R202 PolarHBondContact O-N 3.48Å
199	Q	95.6	Very high	96.6	Very high	85 Å²	85	66.6 Å²	66.6	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-42.8	174.4	-69.8	172.2	-11.9	0	0	111.2	M195 D196 R202 M203	M195-Q199 HydrophobicContact CB-CB 4Å; M195-Q199 HydrophobicContact CG-CB 4.35Å; D196-Q199 WeakPolarHBondContact OD1-CB 3.33Å; D196-Q199 VanDerWaalsContact OD1-CG 3.23Å; D196-Q199 WeakPolarHBondContact OD1-CG 3.37Å; D196-Q199 PolarHBondContact OD1-N 3.2Å; D196-Q199 PolarHBondContact OD2-NE2 2.86Å; D196-Q199 PolarHBondContact OD2-OE1 3.41Å; Q199-R202 PolarHBondContact O-N 2.92Å; Q199-M203 WeakPolarHBondContact O-CB 3.43Å; Q199-M203 PolarHBondContact O-N 3.17Å
200	F	96.9	Very high	96.7	Very high	32 Å²	32	62.8 Å²	62.8	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-44.3	-179.6	-173.3	-103.4	0	0	0	112.6	L188 R192 M195 D196 E198 R202 M203 K204	L188-F200 HydrophobicContact CB-CE2 4.26Å; L188-F200 HydrophobicContact CB-CZ 4.27Å; L188-F200 HydrophobicContact CD2-CE2 4.3Å; L188-F200 WeakPolarHBondContact O-CE2 3.34Å; R192-F200 HydrophobicContact CB-CD2 4.27Å; R192-F200 HydrophobicContact CB-CE2 3.81Å; R192-F200 HydrophobicContact CB-CZ 4.31Å; R192-F200 HydrophobicContact CG-CE2 4.31Å; R192-F200 HydrophobicContact CG-CZ 4.5Å; M195-F200 HydrophobicContact CB-CB 4.38Å; D196-F200 WeakPolarHBondContact O-CB 3.28Å; D196-F200 PolarHBondContact O-N 2.97Å; E198-F200 VanDerWaalsContact C-N 3.29Å; E198-F200 PolarHBondContact O-N 3.31Å; F200-R202 VanDerWaalsContact C-N 3.33Å; F200-R202 PolarHBondContact O-N 2.96Å; F200-M203 PolarHBondContact O-N 3.28Å; F200-K204 WeakPolarHBondContact O-CB 3.48Å; F200-K204 PolarHBondContact O-N 3.44Å
201	E	97.8	Very high	96.8	Very high	99 Å²	99	65 Å²	65	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-35.7	176.6	-74.4	-61.3	135.9	0	0	111.8	D197 E198 K204 A205	D197-E201 PolarHBondContact O-N 2.95Å; E198-E201 PolarHBondContact O-N 3.15Å; E201-K204 VanDerWaalsContact CD-NZ 3.31Å; E201-K204 PolarHBondContact O-N 3.11Å; E201-K204 IonicContact OE1-NZ 3.52Å; E201-K204 PolarHBondContact OE1-NZ 3.05Å; E201-K204 WeakPolarHBondContact OE2-CD 3.29Å; E201-K204 IonicContact OE2-NZ 3.85Å; E201-K204 PolarHBondContact OE2-NZ 3.3Å; E201-A205 PolarHBondContact O-N 2.9Å
202	R	97.3	Very high	96.8	Very high	139 Å²	139	71.5 Å²	71.5	53%	0.525	34%	0.342	S	S	.	.	H	α-helix	trans	-59.7	-50.1	169.8	-174.7	-172	77.3	173.7	-0.2	111.4	E198 Q199 F200 K204 A205 L206 E674	E198-R202 PolarHBondContact O-N 3.48Å; Q199-R202 PolarHBondContact O-N 2.92Å; F200-R202 VanDerWaalsContact C-N 3.33Å; F200-R202 PolarHBondContact O-N 2.96Å; R202-K204 VanDerWaalsContact C-N 3.3Å; R202-K204 PolarHBondContact O-N 3.23Å; R202-A205 WeakPolarHBondContact O-CB 3.29Å; R202-A205 PolarHBondContact O-N 2.91Å; R202-A205 VanDerWaalsContact O-N 3.12Å; R202-L206 PolarHBondContact O-N 3.27Å; R202-E674 IonicContact CZ-OE1 3.12Å; R202-E674 IonicContact CZ-OE2 2.84Å; R202-E674 IonicContact NE-OE1 3.51Å; R202-E674 IonicContact NE-OE2 3.86Å; R202-E674 IonicContact NH2-OE1 3.65Å; R202-E674 PolarHBondContact NH2-OE1 2.99Å; R202-E674 IonicContact NH2-OE2 3.89Å; R202-E674 PolarHBondContact NH2-OE2 3.19Å
203	M	97.1	Very high	96.8	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-38.4	-179.1	-179.3	49.8	66.3	0	0	112	Y187 L188 M195 Q199 F200 L206 S207 F671 E674	Y187-M203 HydrophobicContact CE1-CG 3.73Å; Y187-M203 HydrophobicContact CE1-SD 3.58Å; Y187-M203 VanDerWaalsContact CE1-SD 3.58Å; L188-M203 HydrophobicContact CD2-CB 4.44Å; L188-M203 HydrophobicContact CD2-CG 3.79Å; M195-M203 HydrophobicContact CE-CE 4.28Å; M195-M203 HydrophobicContact CE-CG 4.47Å; M195-M203 HydrophobicContact SD-CB 4.17Å; M195-M203 HydrophobicContact SD-CG 4.37Å; Q199-M203 WeakPolarHBondContact O-CB 3.43Å; Q199-M203 PolarHBondContact O-N 3.17Å; F200-M203 PolarHBondContact O-N 3.28Å; M203-L206 PolarHBondContact O-N 3.37Å; M203-S207 VanDerWaalsContact O-CB 3.28Å; M203-S207 WeakPolarHBondContact O-CB 3.41Å; M203-S207 PolarHBondContact O-N 3.49Å; M203-F671 HydrophobicContact SD-CD2 3.79Å; M203-F671 HydrophobicContact SD-CE2 3.88Å; M203-E674 HydrophobicContact CE-CB 3.92Å; M203-E674 HydrophobicContact CE-CG 3.49Å; M203-E674 VanDerWaalsContact CE-CG 3.49Å; M203-E674 WeakPolarHBondContact CE-OE1 3.24Å
204	K	97.8	Very high	96.9	Very high	89 Å²	89	73 Å²	73	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-39.1	173.9	-177.3	-175.2	174.3	-163.9	0	112.1	L188 F200 E201 R202 K208	L188-K204 HydrophobicContact CD1-CB 4.46Å; L188-K204 HydrophobicContact CD1-CG 4.34Å; L188-K204 HydrophobicContact CD2-CB 4.34Å; F200-K204 WeakPolarHBondContact O-CB 3.48Å; F200-K204 PolarHBondContact O-N 3.44Å; E201-K204 VanDerWaalsContact CD-NZ 3.31Å; E201-K204 PolarHBondContact O-N 3.11Å; E201-K204 IonicContact OE1-NZ 3.52Å; E201-K204 PolarHBondContact OE1-NZ 3.05Å; E201-K204 WeakPolarHBondContact OE2-CD 3.29Å; E201-K204 IonicContact OE2-NZ 3.85Å; E201-K204 PolarHBondContact OE2-NZ 3.3Å; R202-K204 VanDerWaalsContact C-N 3.3Å; R202-K204 PolarHBondContact O-N 3.23Å; K204-K208 VanDerWaalsContact O-CB 3.29Å; K204-K208 WeakPolarHBondContact O-CB 3.35Å; K204-K208 PolarHBondContact O-N 3.07Å
205	A	97.9	Very high	97	Very high	61 Å²	61	70.6 Å²	70.6	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-47.4	173.3	0	0	0	0	0	111.6	E201 R202 S207 K208 D209	E201-A205 PolarHBondContact O-N 2.9Å; R202-A205 WeakPolarHBondContact O-CB 3.29Å; R202-A205 PolarHBondContact O-N 2.91Å; R202-A205 VanDerWaalsContact O-N 3.12Å; A205-S207 PolarHBondContact O-N 3.43Å; A205-K208 PolarHBondContact O-N 3.23Å; A205-D209 PolarHBondContact O-N 2.64Å
206	L	97.8	Very high	97.2	Very high	40 Å²	40	72 Å²	72	21%	0.209	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-44.3	175.9	-68.4	-178.8	0	0	0	112.4	R202 M203 K208 D209 F210 P670 F671 E674	R202-L206 PolarHBondContact O-N 3.27Å; M203-L206 PolarHBondContact O-N 3.37Å; L206-K208 PolarHBondContact O-N 2.89Å; L206-D209 PolarHBondContact O-N 3.2Å; L206-F210 WeakPolarHBondContact O-CB 3.27Å; L206-F210 PolarHBondContact O-N 3.36Å; L206-P670 HydrophobicContact CD2-CB 4Å; L206-F671 HydrophobicContact CB-CB 4.27Å; L206-F671 HydrophobicContact CB-CD2 4.37Å; L206-E674 WeakPolarHBondContact CD1-OE2 3.39Å
207	S	97.8	Very high	97.3	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.014	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-41.7	178	178.5	0	0	0	0	111.9	C184 M203 A205 F210 E211	C184-S207 VanDerWaalsContact CB-OG 3.28Å; C184-S207 WeakPolarHBondContact CB-OG 3.49Å; M203-S207 VanDerWaalsContact O-CB 3.28Å; M203-S207 WeakPolarHBondContact O-CB 3.41Å; M203-S207 PolarHBondContact O-N 3.49Å; A205-S207 PolarHBondContact O-N 3.43Å; S207-F210 PolarHBondContact O-N 3Å; S207-E211 WeakPolarHBondContact O-CB 3.41Å; S207-E211 PolarHBondContact O-N 2.79Å
208	K	97.9	Very high	97.3	Very high	123 Å²	123	68.7 Å²	68.7	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-38.9	178.7	-172.8	178	-175.2	178.9	0	112.2	K204 A205 L206 K212	K204-K208 VanDerWaalsContact O-CB 3.29Å; K204-K208 WeakPolarHBondContact O-CB 3.35Å; K204-K208 PolarHBondContact O-N 3.07Å; A205-K208 PolarHBondContact O-N 3.23Å; L206-K208 PolarHBondContact O-N 2.89Å; K208-K212 WeakPolarHBondContact O-CG 3.33Å; K208-K212 PolarHBondContact O-N 3.35Å
209	D	97.8	Very high	97.3	Very high	87 Å²	87	61.5 Å²	61.5	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-49.3	172.6	179.3	71.6	0	0	0	110.8	A205 L206 E211 K212 N213	A205-D209 PolarHBondContact O-N 2.64Å; L206-D209 PolarHBondContact O-N 3.2Å; D209-E211 PolarHBondContact O-N 3.12Å; D209-K212 PolarHBondContact O-N 2.68Å; D209-N213 WeakPolarHBondContact O-CB 3.46Å; D209-N213 PolarHBondContact O-N 3.46Å; D209-N213 PolarHBondContact O-ND2 3.39Å; D209-N213 PolarHBondContact OD1-ND2 3.47Å
210	F	98.3	Very high	97.4	Very high	2 Å²	2	64 Å²	64	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-46.2	177	179	-103.6	0	0	0	112.5	V180 L206 S207 K212 N213 L214 G215 L218 L658 S669 F671 L672	V180-F210 HydrophobicContact CG1-CD1 4.23Å; V180-F210 HydrophobicContact CG1-CE1 3.97Å; L206-F210 WeakPolarHBondContact O-CB 3.27Å; L206-F210 PolarHBondContact O-N 3.36Å; S207-F210 PolarHBondContact O-N 3Å; F210-K212 VanDerWaalsContact C-N 3.28Å; F210-K212 PolarHBondContact O-N 3.4Å; F210-N213 PolarHBondContact O-N 2.99Å; F210-L214 HydrophobicContact CD2-CB 4.17Å; F210-L214 HydrophobicContact CE2-CB 4.31Å; F210-L214 HydrophobicContact CE2-CD2 4.32Å; F210-L214 HydrophobicContact CE2-CG 4.28Å; F210-L214 PolarHBondContact O-N 3.24Å; F210-G215 WeakPolarHBondContact O-CA 2.99Å; F210-G215 PolarHBondContact O-N 2.99Å; F210-L218 HydrophobicContact CE2-CD1 3.76Å; F210-L218 HydrophobicContact CZ-CD1 3.96Å; F210-L658 HydrophobicContact CE1-CD1 4.22Å; F210-L658 HydrophobicContact CZ-CD1 4.21Å; F210-S669 WeakPolarHBondContact CD2-OG 3.42Å; F210-F671 HydrophobicContact CB-CB 3.87Å; F210-F671 HydrophobicContact CB-CD1 3.85Å; F210-F671 HydrophobicContact CB-CG 3.95Å; F210-F671 AromaticContact CD1-CD1 3.47Å; F210-F671 HydrophobicContact CD1-CD1 3.47Å; F210-F671 VanDerWaalsContact CD1-CD1 3.47Å; F210-F671 AromaticContact CD1-CE1 3.7Å; F210-F671 HydrophobicContact CD1-CE1 3.7Å; F210-F671 HydrophobicContact CD1-CG 4.4Å; F210-F671 HydrophobicContact CD2-CB 4.49Å; F210-F671 HydrophobicContact CD2-CD1 4.1Å; F210-F671 HydrophobicContact CE1-CD1 4Å; F210-F671 HydrophobicContact CE1-CE1 4.05Å; F210-F671 HydrophobicContact CG-CB 4.22Å; F210-F671 AromaticContact CG-CD1 3.52Å; F210-F671 HydrophobicContact CG-CD1 3.52Å; F210-F671 HydrophobicContact CG-CE1 4.23Å; F210-F671 HydrophobicContact CG-CG 4.12Å; F210-L672 HydrophobicContact CD2-CG 4.44Å; F210-L672 HydrophobicContact CE1-CD2 4.38Å; F210-L672 HydrophobicContact CE2-CD1 3.67Å; F210-L672 HydrophobicContact CE2-CD2 4.25Å; F210-L672 HydrophobicContact CE2-CG 3.79Å; F210-L672 HydrophobicContact CZ-CD1 3.89Å; F210-L672 HydrophobicContact CZ-CD2 3.9Å; F210-L672 HydrophobicContact CZ-CG 3.97Å
211	E	97.1	Very high	97.3	Very high	60 Å²	60	66.5 Å²	66.5	28%	0.28	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-35.6	179.5	-174.3	-176	153.4	0	0	112.6	V180 Q181 S207 D209 P216	V180-E211 HydrophobicContact CG1-CB 4.5Å; V180-E211 HydrophobicContact CG1-CG 4.38Å; Q181-E211 WeakPolarHBondContact CB-OE1 3.35Å; Q181-E211 VanDerWaalsContact CG-OE1 3.28Å; Q181-E211 WeakPolarHBondContact CG-OE1 3.35Å; S207-E211 WeakPolarHBondContact O-CB 3.41Å; S207-E211 PolarHBondContact O-N 2.79Å; D209-E211 PolarHBondContact O-N 3.12Å; E211-P216 WeakPolarHBondContact O-CD 3.32Å; E211-P216 VanDerWaalsContact O-CG 3.25Å; E211-P216 WeakPolarHBondContact O-CG 3.33Å
212	K	96.8	Very high	97.1	Very high	143 Å²	143	61.8 Å²	61.8	62%	0.622	29%	0.288	S	S	*	.	H	α-helix	trans	-82.7	-36.8	-179.5	-73.2	-176.1	174.5	-164.4	0	113.5	K208 D209 F210	K208-K212 WeakPolarHBondContact O-CG 3.33Å; K208-K212 PolarHBondContact O-N 3.35Å; D209-K212 PolarHBondContact O-N 2.68Å; F210-K212 VanDerWaalsContact C-N 3.28Å; F210-K212 PolarHBondContact O-N 3.4Å
213	N	96.3	Very high	97	Very high	102 Å²	102	60 Å²	60	55%	0.545	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-87.7	-168	-64.9	-40.4	0	0	0	111.8	D209 F210 P216	D209-N213 WeakPolarHBondContact O-CB 3.46Å; D209-N213 PolarHBondContact O-N 3.46Å; D209-N213 PolarHBondContact O-ND2 3.39Å; D209-N213 PolarHBondContact OD1-ND2 3.47Å; F210-N213 PolarHBondContact O-N 2.99Å; N213-P216 WeakPolarHBondContact O-CD 3.15Å
214	L	96.8	Very high	96.7	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-72.9	-37	-170	-177.7	60.7	0	0	0	113.3	F210 R217 L218 E667	F210-L214 HydrophobicContact CD2-CB 4.17Å; F210-L214 HydrophobicContact CE2-CB 4.31Å; F210-L214 HydrophobicContact CE2-CD2 4.32Å; F210-L214 HydrophobicContact CE2-CG 4.28Å; F210-L214 PolarHBondContact O-N 3.24Å; L214-R217 WeakPolarHBondContact O-CB 3.44Å; L214-R217 PolarHBondContact O-N 3.01Å; L214-R217 VanDerWaalsContact O-N 3.13Å; L214-L218 HydrophobicContact CD1-CD1 4.44Å; L214-L218 HydrophobicContact CD1-CD2 4.11Å; L214-L218 HydrophobicContact CD1-CG 4.09Å; L214-L218 HydrophobicContact CD2-CD1 4.15Å; L214-L218 HydrophobicContact CG-CD1 3.83Å; L214-L218 HydrophobicContact CG-CD2 4.4Å; L214-L218 HydrophobicContact CG-CG 3.94Å; L214-L218 WeakPolarHBondContact O-CG 3.48Å; L214-L218 PolarHBondContact O-N 3.44Å; L214-L218 VanDerWaalsContact O-N 3.11Å; L214-E667 HydrophobicContact CD1-CB 4.14Å; L214-E667 HydrophobicContact CD1-CG 4.18Å; L214-E667 HydrophobicContact CD2-CB 4.38Å
215	G	97.4	Very high	96.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-53.3	-50	-175.2	0	0	0	0	0	114.4	F210 R217 L218 Q219	F210-G215 WeakPolarHBondContact O-CA 2.99Å; F210-G215 PolarHBondContact O-N 2.99Å; G215-R217 VanDerWaalsContact C-N 3.3Å; G215-R217 PolarHBondContact O-N 3Å; G215-L218 PolarHBondContact O-N 2.61Å; G215-Q219 VanDerWaalsContact O-CB 3.27Å; G215-Q219 WeakPolarHBondContact O-CB 3.46Å; G215-Q219 PolarHBondContact O-N 3.28Å
216	P	97.4	Very high	96	Very high	68 Å²	68	57.8 Å²	57.8	44%	0.442	27%	0.268	S	S	.	.	H	α-helix	trans	-56.8	-38.2	176.7	-29	35.6	0	0	0	114.1	E211 N213 W220	E211-P216 WeakPolarHBondContact O-CD 3.32Å; E211-P216 VanDerWaalsContact O-CG 3.25Å; E211-P216 WeakPolarHBondContact O-CG 3.33Å; N213-P216 WeakPolarHBondContact O-CD 3.15Å; P216-W220 PolarHBondContact O-N 2.94Å; P216-W220 VanDerWaalsContact O-N 3.08Å
217	R	97.1	Very high	95.5	Very high	118 Å²	118	63.7 Å²	63.7	45%	0.445	29%	0.287	S	S	.	.	H	α-helix	trans	-68	-47.8	177.4	-176.9	176.7	173.6	-157.4	-7.7	110.9	L214 G215 Q219 W220 Y221 E667	L214-R217 WeakPolarHBondContact O-CB 3.44Å; L214-R217 PolarHBondContact O-N 3.01Å; L214-R217 VanDerWaalsContact O-N 3.13Å; G215-R217 VanDerWaalsContact C-N 3.3Å; G215-R217 PolarHBondContact O-N 3Å; R217-Q219 VanDerWaalsContact C-N 3.31Å; R217-Q219 PolarHBondContact O-N 3.17Å; R217-W220 WeakPolarHBondContact O-CB 3.23Å; R217-W220 PolarHBondContact O-N 3.34Å; R217-Y221 HydrophobicContact CG-CE2 4.19Å; R217-Y221 VanDerWaalsContact O-CD2 3.27Å; R217-Y221 WeakPolarHBondContact O-CD2 3.41Å; R217-E667 IonicContact CZ-OE1 3.85Å; R217-E667 IonicContact NH1-OE1 2.7Å; R217-E667 PolarHBondContact NH1-OE1 2.92Å; R217-E667 IonicContact NH2-OE1 2.82Å
218	L	97.3	Very high	94.9	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-42.3	176.6	-58.4	-178.8	0	0	0	111.4	F210 L214 G215 W220 Y221 L222 L658 V661 L665 L672	F210-L218 HydrophobicContact CE2-CD1 3.76Å; F210-L218 HydrophobicContact CZ-CD1 3.96Å; L214-L218 HydrophobicContact CD1-CD1 4.44Å; L214-L218 HydrophobicContact CD1-CD2 4.11Å; L214-L218 HydrophobicContact CD1-CG 4.09Å; L214-L218 HydrophobicContact CD2-CD1 4.15Å; L214-L218 HydrophobicContact CG-CD1 3.83Å; L214-L218 HydrophobicContact CG-CD2 4.4Å; L214-L218 HydrophobicContact CG-CG 3.94Å; L214-L218 WeakPolarHBondContact O-CG 3.48Å; L214-L218 PolarHBondContact O-N 3.44Å; L214-L218 VanDerWaalsContact O-N 3.11Å; G215-L218 PolarHBondContact O-N 2.61Å; L218-W220 VanDerWaalsContact C-N 3.26Å; L218-W220 PolarHBondContact O-N 2.87Å; L218-Y221 PolarHBondContact O-N 2.76Å; L218-Y221 VanDerWaalsContact O-N 3.17Å; L218-L222 PolarHBondContact O-N 3.42Å; L218-L222 VanDerWaalsContact O-N 3.13Å; L218-L658 HydrophobicContact CB-CD2 3.62Å; L218-L658 HydrophobicContact CD1-CB 4.43Å; L218-V661 HydrophobicContact CB-CG1 4.3Å; L218-V661 HydrophobicContact CD2-CB 4.25Å; L218-V661 HydrophobicContact CD2-CG1 3.69Å; L218-L665 HydrophobicContact CD2-CD1 3.76Å; L218-L672 HydrophobicContact CD1-CD1 3.84Å
219	Q	97.8	Very high	94.4	Very high	15 Å²	15	69.3 Å²	69.3	7%	0.07	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-33.8	177.5	-178.4	65	-7.9	0	0	112.8	P178 V180 G215 R217 L222 K223 H654	P178-Q219 PolarHBondContact O-NE2 3.16Å; V180-Q219 HydrophobicContact CG2-CB 3.65Å; V180-Q219 HydrophobicContact CG2-CG 3.91Å; G215-Q219 VanDerWaalsContact O-CB 3.27Å; G215-Q219 WeakPolarHBondContact O-CB 3.46Å; G215-Q219 PolarHBondContact O-N 3.28Å; R217-Q219 VanDerWaalsContact C-N 3.31Å; R217-Q219 PolarHBondContact O-N 3.17Å; Q219-L222 PolarHBondContact O-N 3.43Å; Q219-K223 WeakPolarHBondContact O-CG 3.39Å; Q219-K223 PolarHBondContact O-N 2.91Å; Q219-H654 PolarHBondContact OE1-NE2 3.25Å
220	W	96.9	Very high	93.9	Very high	138 Å²	138	67 Å²	67	52%	0.523	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.8	-178.3	91	0	0	0	111.9	P216 R217 L218 K223 L224	P216-W220 PolarHBondContact O-N 2.94Å; P216-W220 VanDerWaalsContact O-N 3.08Å; R217-W220 WeakPolarHBondContact O-CB 3.23Å; R217-W220 PolarHBondContact O-N 3.34Å; L218-W220 VanDerWaalsContact C-N 3.26Å; L218-W220 PolarHBondContact O-N 2.87Å; W220-K223 WeakPolarHBondContact O-CB 3.16Å; W220-K223 PolarHBondContact O-N 3.15Å; W220-L224 HydrophobicContact CD2-CD1 4.37Å; W220-L224 HydrophobicContact CE3-CD1 3.9Å; W220-L224 HydrophobicContact CE3-CG 4.46Å; W220-L224 HydrophobicContact CH2-CD1 3.4Å; W220-L224 VanDerWaalsContact CH2-CD1 3.4Å; W220-L224 HydrophobicContact CH2-CG 4.37Å; W220-L224 HydrophobicContact CZ2-CD1 3.88Å; W220-L224 HydrophobicContact CZ2-CG 4.42Å; W220-L224 HydrophobicContact CZ3-CD1 3.4Å; W220-L224 HydrophobicContact CZ3-CG 4.37Å; W220-L224 PolarHBondContact O-N 3.14Å; W220-L224 VanDerWaalsContact O-N 3.11Å
221	Y	94.6	Very high	93.7	Very high	85 Å²	85	67.1 Å²	67.1	33%	0.333	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-37.4	174.7	-70.5	-81.3	0	0	0	112.5	R217 L218 L224 K225 V661 L665	R217-Y221 HydrophobicContact CG-CE2 4.19Å; R217-Y221 VanDerWaalsContact O-CD2 3.27Å; R217-Y221 WeakPolarHBondContact O-CD2 3.41Å; L218-Y221 PolarHBondContact O-N 2.76Å; L218-Y221 VanDerWaalsContact O-N 3.17Å; Y221-L224 WeakPolarHBondContact O-CB 3.05Å; Y221-L224 PolarHBondContact O-N 3.21Å; Y221-K225 PolarHBondContact O-N 3.03Å; Y221-V661 HydrophobicContact CD2-CG1 4.08Å; Y221-V661 HydrophobicContact CG-CG1 4.14Å; Y221-L665 HydrophobicContact CD2-CD1 3.89Å; Y221-L665 HydrophobicContact CE1-CD2 4.41Å; Y221-L665 HydrophobicContact CE2-CD1 3.6Å; Y221-L665 HydrophobicContact CE2-CD2 3.98Å; Y221-L665 HydrophobicContact CE2-CG 4.39Å
222	L	93.7	Very high	93.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-37.5	173.9	-67.8	-173.3	0	0	0	112.6	L177 L218 Q219 L224 K225 S226 W236 C657 L658 V661	L177-L222 HydrophobicContact CD1-CB 4.01Å; L177-L222 HydrophobicContact CD1-CD1 4.16Å; L177-L222 HydrophobicContact CD2-CB 3.9Å; L218-L222 PolarHBondContact O-N 3.42Å; L218-L222 VanDerWaalsContact O-N 3.13Å; Q219-L222 PolarHBondContact O-N 3.43Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-L224 PolarHBondContact O-N 3.41Å; L222-K225 PolarHBondContact O-N 2.83Å; L222-S226 WeakPolarHBondContact O-CB 3.41Å; L222-S226 PolarHBondContact O-N 2.77Å; L222-S226 PolarHBondContact O-OG 3.47Å; L222-W236 HydrophobicContact CD2-CH2 4.22Å; L222-W236 HydrophobicContact CD2-CZ3 3.68Å; L222-C657 HydrophobicContact CD1-CB 3.91Å; L222-C657 HydrophobicContact CD2-CB 3.78Å; L222-L658 HydrophobicContact CD1-CD2 3.56Å; L222-L658 HydrophobicContact CD1-CG 3.76Å; L222-L658 HydrophobicContact CG-CD2 4.4Å; L222-V661 HydrophobicContact CD2-CG2 3.49Å; L222-V661 VanDerWaalsContact CD2-CG2 3.49Å; L222-V661 HydrophobicContact CG-CG2 4.03Å
223	K	95.4	Very high	93.6	Very high	101 Å²	101	58 Å²	58	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-47.9	172	-76	173.7	-180	176.6	0	110.5	L177 Q219 W220 K225 S226 W227	L177-K223 HydrophobicContact CD2-CB 4.35Å; L177-K223 HydrophobicContact CD2-CG 3.67Å; Q219-K223 WeakPolarHBondContact O-CG 3.39Å; Q219-K223 PolarHBondContact O-N 2.91Å; W220-K223 WeakPolarHBondContact O-CB 3.16Å; W220-K223 PolarHBondContact O-N 3.15Å; K223-K225 PolarHBondContact O-N 2.86Å; K223-S226 PolarHBondContact O-N 2.91Å; K223-S226 PolarHBondContact O-OG 3.4Å; K223-W227 PolarHBondContact O-N 2.81Å; K223-W227 VanDerWaalsContact O-N 3.16Å
224	L	91.6	Very high	93.3	Very high	49 Å²	49	54 Å²	54	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-56.2	-51.9	173.7	-65.9	-177.5	0	0	0	111.2	W220 Y221 L222 S226 W227 W228	W220-L224 HydrophobicContact CD2-CD1 4.37Å; W220-L224 HydrophobicContact CE3-CD1 3.9Å; W220-L224 HydrophobicContact CE3-CG 4.46Å; W220-L224 HydrophobicContact CH2-CD1 3.4Å; W220-L224 VanDerWaalsContact CH2-CD1 3.4Å; W220-L224 HydrophobicContact CH2-CG 4.37Å; W220-L224 HydrophobicContact CZ2-CD1 3.88Å; W220-L224 HydrophobicContact CZ2-CG 4.42Å; W220-L224 HydrophobicContact CZ3-CD1 3.4Å; W220-L224 HydrophobicContact CZ3-CG 4.37Å; W220-L224 PolarHBondContact O-N 3.14Å; W220-L224 VanDerWaalsContact O-N 3.11Å; Y221-L224 WeakPolarHBondContact O-CB 3.05Å; Y221-L224 PolarHBondContact O-N 3.21Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-L224 PolarHBondContact O-N 3.41Å; L224-S226 VanDerWaalsContact C-N 3.28Å; L224-S226 PolarHBondContact O-N 2.76Å; L224-W227 HydrophobicContact CD2-CE3 3.77Å; L224-W227 HydrophobicContact CD2-CZ3 3.66Å; L224-W227 WeakPolarHBondContact O-CB 3.42Å; L224-W227 PolarHBondContact O-N 2.51Å; L224-W228 PolarHBondContact O-N 2.9Å
225	K	91.2	Very high	93.1	Very high	32 Å²	32	56.4 Å²	56.4	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-56.1	-41.7	178.6	-177	172.2	167.2	71	0	112.2	Y221 L222 K223 W227 W228 A229 Y232 D235 W236	Y221-K225 PolarHBondContact O-N 3.03Å; L222-K225 PolarHBondContact O-N 2.83Å; K223-K225 PolarHBondContact O-N 2.86Å; K225-W227 VanDerWaalsContact C-N 3.26Å; K225-W227 PolarHBondContact O-N 3.29Å; K225-W228 PolarHBondContact O-N 2.98Å; K225-A229 HydrophobicContact CG-CB 4.22Å; K225-A229 VanDerWaalsContact O-CB 3.22Å; K225-A229 WeakPolarHBondContact O-CB 3.41Å; K225-A229 PolarHBondContact O-N 3.24Å; K225-Y232 WeakPolarHBondContact CE-O 3.39Å; K225-D235 WeakPolarHBondContact CE-OD1 3.31Å; K225-D235 IonicContact NZ-OD1 3.47Å; K225-D235 PolarHBondContact NZ-OD1 2.98Å; K225-D235 IonicContact NZ-OD2 2.69Å; K225-D235 PolarHBondContact NZ-OD2 3.21Å; K225-W236 HydrophobicContact CD-CD2 4.18Å; K225-W236 HydrophobicContact CD-CE3 4.01Å; K225-W236 HydrophobicContact CD-CH2 3.41Å; K225-W236 VanDerWaalsContact CD-CH2 3.41Å; K225-W236 HydrophobicContact CD-CZ2 3.59Å; K225-W236 HydrophobicContact CD-CZ3 3.64Å
226	S	89.9	Confident	92.9	Very high	22 Å²	22	57.8 Å²	57.8	15%	0.154	26%	0.259	C	S	.	.	H	α-helix	trans	-66.7	-22.6	178.3	72.9	0	0	0	0	114.4	R174 L222 K223 L224	R174-S226 PolarHBondContact NH1-O 3.44Å; L222-S226 WeakPolarHBondContact O-CB 3.41Å; L222-S226 PolarHBondContact O-N 2.77Å; L222-S226 PolarHBondContact O-OG 3.47Å; K223-S226 PolarHBondContact O-N 2.91Å; K223-S226 PolarHBondContact O-OG 3.4Å; L224-S226 VanDerWaalsContact C-N 3.28Å; L224-S226 PolarHBondContact O-N 2.76Å
227	W	85.9	Confident	92.8	Very high	165 Å²	165	56 Å²	56	63%	0.625	24%	0.243	S	C	*	.	H	α-helix	trans	-77.6	-36.7	173.2	-64.4	-14.9	0	0	0	112.6	R174 K223 L224 K225	R174-W227 VanDerWaalsContact NH1-C 3.33Å; R174-W227 PolarHBondContact NH1-O 3.03Å; R174-W227 PolarHBondContact NH2-O 2.95Å; K223-W227 PolarHBondContact O-N 2.81Å; K223-W227 VanDerWaalsContact O-N 3.16Å; L224-W227 HydrophobicContact CD2-CE3 3.77Å; L224-W227 HydrophobicContact CD2-CZ3 3.66Å; L224-W227 WeakPolarHBondContact O-CB 3.42Å; L224-W227 PolarHBondContact O-N 2.51Å; K225-W227 VanDerWaalsContact C-N 3.26Å; K225-W227 PolarHBondContact O-N 3.29Å
228	W	85.3	Confident	92.7	Very high	223 Å²	223	52.2 Å²	52.2	85%	0.845	23%	0.23	S	C	*	.	H	α-helix	trans	-92.6	-36.9	-175.4	-68.1	97.3	0	0	0	113.6	L224 K225	L224-W228 PolarHBondContact O-N 2.9Å; K225-W228 PolarHBondContact O-N 2.98Å
229	A	87.4	Confident	92.4	Very high	20 Å²	20	54.7 Å²	54.7	17%	0.165	24%	0.242	C	C	.	.	S	Bend	trans	-81.7	151.7	-179.9	0	0	0	0	0	112.2	K225 N231	K225-A229 HydrophobicContact CG-CB 4.22Å; K225-A229 VanDerWaalsContact O-CB 3.22Å; K225-A229 WeakPolarHBondContact O-CB 3.41Å; K225-A229 PolarHBondContact O-N 3.24Å; A229-N231 VanDerWaalsContact C-N 3.28Å; A229-N231 WeakPolarHBondContact CB-O 3.49Å
230	S	87.9	Confident	92.1	Very high	38 Å²	38	56.6 Å²	56.6	27%	0.266	25%	0.249	S	C	.	.	S	Bend	trans	-63.2	-37.7	166.6	38.6	0	0	0	0	111.6	R174 E598	R174-S230 WeakPolarHBondContact CG-O 3.26Å; S230-E598 VanDerWaalsContact CB-OE1 3.25Å; S230-E598 WeakPolarHBondContact CB-OE1 3.41Å; S230-E598 VanDerWaalsContact CB-OE2 3.32Å; S230-E598 WeakPolarHBondContact CB-OE2 3.15Å; S230-E598 VanDerWaalsContact OG-CD 3.23Å; S230-E598 PolarHBondContact OG-OE1 3.23Å; S230-E598 PolarHBondContact OG-OE2 2.85Å
231	N	94.8	Very high	91.9	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.027	24%	0.241	C	C	.	.			trans	-146.5	132.5	173.4	-169.1	-47.4	0	0	0	108.5	A229 V233 S234 R597 E598	A229-N231 VanDerWaalsContact C-N 3.28Å; A229-N231 WeakPolarHBondContact CB-O 3.49Å; N231-V233 VanDerWaalsContact C-N 3.27Å; N231-V233 PolarHBondContact O-N 3.39Å; N231-V233 PolarHBondContact OD1-N 2.97Å; N231-S234 WeakPolarHBondContact CB-OG 3.25Å; N231-S234 PolarHBondContact ND2-OG 3.46Å; N231-S234 PolarHBondContact OD1-OG 3.47Å; N231-R597 PolarHBondContact ND2-O 2.7Å; N231-E598 HydrophobicContact CB-CB 4.08Å
232	Y	94.7	Very high	91.9	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.012	23%	0.23	C	C	.	.	S	Bend	trans	-81.4	-5.4	-176.1	77	-86.5	0	0	0	113.8	L175 P176 L177 P178 K225 C657	L175-Y232 HydrophobicContact CB-CD1 4.43Å; L175-Y232 HydrophobicContact CB-CE1 4.16Å; L175-Y232 HydrophobicContact CD2-CD1 4.4Å; L175-Y232 HydrophobicContact CD2-CE1 3.76Å; L175-Y232 HydrophobicContact CG-CE1 3.95Å; P176-Y232 WeakPolarHBondContact O-CE1 3.33Å; P176-Y232 PolarHBondContact O-OH 2.99Å; L177-Y232 HydrophobicContact CB-CE1 4.41Å; L177-Y232 HydrophobicContact CD1-CD2 4.16Å; L177-Y232 HydrophobicContact CD1-CE1 4.21Å; L177-Y232 HydrophobicContact CD1-CE2 3.64Å; P178-Y232 WeakPolarHBondContact CD-OH 3.35Å; K225-Y232 WeakPolarHBondContact CE-O 3.39Å; Y232-C657 HydrophobicContact CD2-CB 4.37Å; Y232-C657 HydrophobicContact CE2-CB 4.25Å
233	V	95.3	Very high	92.1	Very high	7 Å²	7	51 Å²	51	4%	0.042	23%	0.233	C	C	.	.	S	Bend	trans	-108	-43.3	-176.2	178.3	0	0	0	0	111.6	L175 N231 D235 W236 W237 R653	L175-V233 HydrophobicContact CD2-CB 4.12Å; L175-V233 HydrophobicContact CD2-CG2 3.54Å; N231-V233 VanDerWaalsContact C-N 3.27Å; N231-V233 PolarHBondContact O-N 3.39Å; N231-V233 PolarHBondContact OD1-N 2.97Å; V233-D235 PolarHBondContact O-N 2.85Å; V233-W236 PolarHBondContact O-N 3.35Å; V233-W237 HydrophobicContact CG1-CB 4.06Å; V233-W237 WeakPolarHBondContact O-CB 3.44Å; V233-W237 PolarHBondContact O-N 3.41Å; V233-R653 HydrophobicContact CG1-CB 3.94Å; V233-R653 HydrophobicContact CG1-CG 4.05Å; V233-R653 HydrophobicContact CG2-CB 4.17Å
234	S	91.9	Very high	92	Very high	18 Å²	18	51.1 Å²	51.1	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-41	-158.5	-52.8	0	0	0	0	115.3	N231 E238 E598	N231-S234 WeakPolarHBondContact CB-OG 3.25Å; N231-S234 PolarHBondContact ND2-OG 3.46Å; N231-S234 PolarHBondContact OD1-OG 3.47Å; S234-E238 WeakPolarHBondContact O-CB 3.31Å; S234-E238 PolarHBondContact O-N 3.08Å; S234-E598 PolarHBondContact OG-O 3Å
235	D	91	Very high	92.1	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-66.9	-46.8	179	59.1	-23.6	0	0	0	111.6	K225 V233 E238 E239	K225-D235 WeakPolarHBondContact CE-OD1 3.31Å; K225-D235 IonicContact NZ-OD1 3.47Å; K225-D235 PolarHBondContact NZ-OD1 2.98Å; K225-D235 IonicContact NZ-OD2 2.69Å; K225-D235 PolarHBondContact NZ-OD2 3.21Å; V233-D235 PolarHBondContact O-N 2.85Å; D235-E238 PolarHBondContact O-N 2.75Å; D235-E239 WeakPolarHBondContact O-CB 3.4Å; D235-E239 PolarHBondContact O-N 3.24Å
236	W	94.5	Very high	92.4	Very high	30 Å²	30	51.7 Å²	51.7	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-67	-37.1	175.6	-71.4	-12	0	0	0	112.5	L222 K225 V233 E239 Y240 F656 C657 V660 V661 Y664	L222-W236 HydrophobicContact CD2-CH2 4.22Å; L222-W236 HydrophobicContact CD2-CZ3 3.68Å; K225-W236 HydrophobicContact CD-CD2 4.18Å; K225-W236 HydrophobicContact CD-CE3 4.01Å; K225-W236 HydrophobicContact CD-CH2 3.41Å; K225-W236 VanDerWaalsContact CD-CH2 3.41Å; K225-W236 HydrophobicContact CD-CZ2 3.59Å; K225-W236 HydrophobicContact CD-CZ3 3.64Å; V233-W236 PolarHBondContact O-N 3.35Å; W236-E239 PolarHBondContact O-N 3.29Å; W236-Y240 HydrophobicContact CB-CD2 3.91Å; W236-Y240 HydrophobicContact CB-CE2 4.19Å; W236-Y240 AromaticContact CD1-CE2 3.8Å; W236-Y240 HydrophobicContact CG-CD2 4.25Å; W236-Y240 HydrophobicContact CG-CE2 4.02Å; W236-Y240 WeakPolarHBondContact O-CB 3.43Å; W236-Y240 VanDerWaalsContact O-CD2 3.25Å; W236-Y240 WeakPolarHBondContact O-CD2 3.45Å; W236-Y240 PolarHBondContact O-N 2.88Å; W236-F656 HydrophobicContact CB-CE1 3.97Å; W236-F656 HydrophobicContact CB-CZ 4.2Å; W236-C657 HydrophobicContact CE3-CB 4.26Å; W236-C657 HydrophobicContact CZ3-CB 4.24Å; W236-V660 HydrophobicContact CD2-CB 4.45Å; W236-V660 HydrophobicContact CD2-CG1 3.7Å; W236-V660 HydrophobicContact CE3-CB 4.06Å; W236-V660 HydrophobicContact CE3-CG1 3.75Å; W236-V660 HydrophobicContact CG-CG1 4.24Å; W236-V660 HydrophobicContact CH2-CG1 4.14Å; W236-V660 HydrophobicContact CZ2-CG1 4.11Å; W236-V660 HydrophobicContact CZ3-CB 4.24Å; W236-V660 HydrophobicContact CZ3-CG1 3.96Å; W236-V661 HydrophobicContact CH2-CG2 3.7Å; W236-V661 HydrophobicContact CZ3-CG2 3.93Å; W236-Y664 HydrophobicContact CZ2-CD2 4.4Å; W236-Y664 AromaticContact CZ2-CE2 3.93Å; W236-Y664 HydrophobicContact CZ2-CE2 3.93Å
237	W	94.6	Very high	92.6	Very high	29 Å²	29	52.3 Å²	52.3	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-45.7	176.5	-173.7	-104.4	0	0	0	111.3	V233 I241 Y242 R653 F656	V233-W237 HydrophobicContact CG1-CB 4.06Å; V233-W237 WeakPolarHBondContact O-CB 3.44Å; V233-W237 PolarHBondContact O-N 3.41Å; W237-I241 HydrophobicContact CD2-CB 4.34Å; W237-I241 HydrophobicContact CD2-CG1 3.65Å; W237-I241 HydrophobicContact CE3-CB 4.45Å; W237-I241 HydrophobicContact CE3-CD1 4.03Å; W237-I241 HydrophobicContact CE3-CG1 3.34Å; W237-I241 HydrophobicContact CG-CG1 4.41Å; W237-I241 HydrophobicContact CH2-CB 4.43Å; W237-I241 HydrophobicContact CH2-CD1 4Å; W237-I241 HydrophobicContact CH2-CG1 3.68Å; W237-I241 HydrophobicContact CH2-CG2 4.1Å; W237-I241 HydrophobicContact CZ2-CB 4.34Å; W237-I241 HydrophobicContact CZ2-CG1 3.98Å; W237-I241 HydrophobicContact CZ2-CG2 3.91Å; W237-I241 HydrophobicContact CZ3-CD1 3.63Å; W237-I241 HydrophobicContact CZ3-CG1 3.37Å; W237-I241 VanDerWaalsContact O-CB 3.27Å; W237-I241 WeakPolarHBondContact O-CB 3.31Å; W237-I241 PolarHBondContact O-N 2.76Å; W237-Y242 AromaticContact CD1-CE2 3.8Å; W237-Y242 AromaticContact NE1-CE2 3.53Å; W237-R653 VanDerWaalsContact CE3-CD 3.49Å; W237-R653 VanDerWaalsContact CZ2-NH2 3.32Å; W237-F656 HydrophobicContact CE3-CD1 4.03Å; W237-F656 HydrophobicContact CE3-CE1 4.09Å; W237-F656 HydrophobicContact CE3-CG 4.38Å; W237-F656 HydrophobicContact CE3-CZ 4.48Å; W237-F656 HydrophobicContact CZ3-CG 4.43Å
238	E	94.1	Very high	93.2	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.182	22%	0.224	C	C	.	.	I	π-helix	trans	-58.9	-50.1	174.4	-177	169.5	98.5	0	0	111.2	S234 D235 Y242 L243 R310 L325	S234-E238 WeakPolarHBondContact O-CB 3.31Å; S234-E238 PolarHBondContact O-N 3.08Å; D235-E238 PolarHBondContact O-N 2.75Å; E238-Y242 PolarHBondContact O-N 3.05Å; E238-L243 HydrophobicContact CG-CD1 4.03Å; E238-L243 HydrophobicContact CG-CG 4.41Å; E238-L243 WeakPolarHBondContact O-CG 3.23Å; E238-L243 PolarHBondContact O-N 2.79Å; E238-L243 VanDerWaalsContact O-N 3.13Å; E238-R310 IonicContact OE1-CZ 3.6Å; E238-R310 IonicContact OE1-NH1 3.75Å; E238-R310 PolarHBondContact OE1-NH1 3.01Å; E238-R310 IonicContact OE2-CZ 3.79Å; E238-R310 IonicContact OE2-NH1 3Å; E238-R310 PolarHBondContact OE2-NH1 3.41Å; E238-L325 HydrophobicContact CG-CD1 4.29Å
239	E	91.9	Very high	93.8	Very high	52 Å²	52	34.9 Å²	34.9	24%	0.243	19%	0.185	C	C	.	.	I	π-helix	trans	-66.8	-56.6	-176	-173	-178.6	171.2	0	0	113.1	D235 W236 L243 R244 T322	D235-E239 WeakPolarHBondContact O-CB 3.4Å; D235-E239 PolarHBondContact O-N 3.24Å; W236-E239 PolarHBondContact O-N 3.29Å; E239-L243 CarbonylContact O-C 3.57Å; E239-L243 WeakPolarHBondContact O-CA 3.35Å; E239-L243 WeakPolarHBondContact O-CB 3.17Å; E239-L243 PolarHBondContact O-N 2.66Å; E239-L243 VanDerWaalsContact O-N 3.14Å; E239-R244 HydrophobicContact CG-CG 4.3Å; E239-R244 WeakPolarHBondContact O-CG 3.34Å; E239-R244 PolarHBondContact O-N 2.88Å; E239-R244 IonicContact OE1-CZ 2.62Å; E239-R244 VanDerWaalsContact OE1-CZ 3.25Å; E239-R244 IonicContact OE1-NE 3.32Å; E239-R244 PolarHBondContact OE1-NE 2.88Å; E239-R244 IonicContact OE1-NH2 2.72Å; E239-R244 PolarHBondContact OE1-NH2 2.76Å; E239-T322 HydrophobicContact CG-CG2 4.31Å
240	Y	92.1	Very high	94.2	Very high	55 Å²	55	34 Å²	34	22%	0.216	18%	0.177	C	C	.	.	I	π-helix	trans	-82.7	-30.7	-167.2	-69.1	-75.2	0	0	0	113.8	W236 R244 F656 V660 Y664	W236-Y240 HydrophobicContact CB-CD2 3.91Å; W236-Y240 HydrophobicContact CB-CE2 4.19Å; W236-Y240 AromaticContact CD1-CE2 3.8Å; W236-Y240 HydrophobicContact CG-CD2 4.25Å; W236-Y240 HydrophobicContact CG-CE2 4.02Å; W236-Y240 WeakPolarHBondContact O-CB 3.43Å; W236-Y240 VanDerWaalsContact O-CD2 3.25Å; W236-Y240 WeakPolarHBondContact O-CD2 3.45Å; W236-Y240 PolarHBondContact O-N 2.88Å; Y240-R244 VanDerWaalsContact CD1-CD 3.47Å; Y240-F656 HydrophobicContact CD2-CZ 4.16Å; Y240-F656 HydrophobicContact CG-CZ 4.36Å; Y240-V660 HydrophobicContact CD2-CG1 4.36Å; Y240-V660 HydrophobicContact CD2-CG2 4.03Å; Y240-V660 HydrophobicContact CE2-CG1 3.79Å; Y240-V660 HydrophobicContact CE2-CG2 4.28Å; Y240-V660 HydrophobicContact CG-CG2 4.47Å; Y240-Y664 VanDerWaalsContact OH-CZ 3.27Å; Y240-Y664 PolarHBondContact OH-OH 3.33Å
241	I	92.3	Very high	94.6	Very high	71 Å²	71	32.2 Å²	32.2	36%	0.364	17%	0.165	S	C	.	.	I	π-helix	trans	-86.5	-40	-178.1	-56.8	-59	0	0	0	111.4	W237 F656	W237-I241 HydrophobicContact CD2-CB 4.34Å; W237-I241 HydrophobicContact CD2-CG1 3.65Å; W237-I241 HydrophobicContact CE3-CB 4.45Å; W237-I241 HydrophobicContact CE3-CD1 4.03Å; W237-I241 HydrophobicContact CE3-CG1 3.34Å; W237-I241 HydrophobicContact CG-CG1 4.41Å; W237-I241 HydrophobicContact CH2-CB 4.43Å; W237-I241 HydrophobicContact CH2-CD1 4Å; W237-I241 HydrophobicContact CH2-CG1 3.68Å; W237-I241 HydrophobicContact CH2-CG2 4.1Å; W237-I241 HydrophobicContact CZ2-CB 4.34Å; W237-I241 HydrophobicContact CZ2-CG1 3.98Å; W237-I241 HydrophobicContact CZ2-CG2 3.91Å; W237-I241 HydrophobicContact CZ3-CD1 3.63Å; W237-I241 HydrophobicContact CZ3-CG1 3.37Å; W237-I241 VanDerWaalsContact O-CB 3.27Å; W237-I241 WeakPolarHBondContact O-CB 3.31Å; W237-I241 PolarHBondContact O-N 2.76Å; I241-F656 HydrophobicContact CD1-CD2 4.15Å; I241-F656 HydrophobicContact CD1-CE2 3.82Å; I241-F656 HydrophobicContact CD1-CZ 4.43Å; I241-F656 HydrophobicContact CG1-CE2 4.3Å; I241-F656 HydrophobicContact CG1-CZ 4.42Å
242	Y	95.2	Very high	94.7	Very high	22 Å²	22	35.4 Å²	35.4	9%	0.086	18%	0.182	C	C	.	.	I	π-helix	trans	-102.7	-60.1	-177.4	-55	-81.8	0	0	0	111.3	W237 E238 R244 G245 R316 H473 S474	W237-Y242 AromaticContact CD1-CE2 3.8Å; W237-Y242 AromaticContact NE1-CE2 3.53Å; E238-Y242 PolarHBondContact O-N 3.05Å; Y242-R244 PolarHBondContact O-N 3.47Å; Y242-G245 PolarHBondContact O-N 2.97Å; Y242-R316 PolarHBondContact O-NH1 2.8Å; Y242-R316 PolarHBondContact O-NH2 3.09Å; Y242-H473 HydrophobicContact CD1-CB 4.34Å; Y242-H473 HydrophobicContact CE1-CB 3.96Å; Y242-H473 AromaticContact CE1-CG 3.76Å; Y242-S474 VanDerWaalsContact CB-CB 3.42Å
243	L	96.1	Very high	94.8	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.068	19%	0.188	C	C	.	.	I	π-helix	trans	-73.3	-25.8	-165.4	-59.8	179.9	0	0	0	114.1	E238 E239 R246 R316 T322 D323 L325	E238-L243 HydrophobicContact CG-CD1 4.03Å; E238-L243 HydrophobicContact CG-CG 4.41Å; E238-L243 WeakPolarHBondContact O-CG 3.23Å; E238-L243 PolarHBondContact O-N 2.79Å; E238-L243 VanDerWaalsContact O-N 3.13Å; E239-L243 CarbonylContact O-C 3.57Å; E239-L243 WeakPolarHBondContact O-CA 3.35Å; E239-L243 WeakPolarHBondContact O-CB 3.17Å; E239-L243 PolarHBondContact O-N 2.66Å; E239-L243 VanDerWaalsContact O-N 3.14Å; L243-R246 PolarHBondContact O-NH2 3.05Å; L243-R316 HydrophobicContact CD2-CG 4.25Å; L243-T322 HydrophobicContact CB-CG2 4.19Å; L243-D323 HydrophobicContact CB-CB 4.34Å; L243-D323 HydrophobicContact CD2-CB 4.08Å; L243-D323 PolarHBondContact O-N 3.17Å; L243-L325 HydrophobicContact CD2-CG 4.24Å
244	R	95.2	Very high	95	Very high	104 Å²	104	35.9 Å²	35.9	39%	0.392	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.8	174.8	-72	-173.9	-179.1	-146	6.5	114.1	E239 Y240 Y242 R246 T322	E239-R244 HydrophobicContact CG-CG 4.3Å; E239-R244 WeakPolarHBondContact O-CG 3.34Å; E239-R244 PolarHBondContact O-N 2.88Å; E239-R244 IonicContact OE1-CZ 2.62Å; E239-R244 VanDerWaalsContact OE1-CZ 3.25Å; E239-R244 IonicContact OE1-NE 3.32Å; E239-R244 PolarHBondContact OE1-NE 2.88Å; E239-R244 IonicContact OE1-NH2 2.72Å; E239-R244 PolarHBondContact OE1-NH2 2.76Å; Y240-R244 VanDerWaalsContact CD1-CD 3.47Å; Y242-R244 PolarHBondContact O-N 3.47Å; R244-R246 PolarHBondContact O-N 3.49Å; R244-R246 PolarHBondContact O-NE 3.23Å; R244-T322 HydrophobicContact CG-CG2 3.76Å; R244-T322 WeakPolarHBondContact CG-OG1 3.49Å
245	G	93.3	Very high	95.3	Very high	33 Å²	33	35.7 Å²	35.7	34%	0.34	18%	0.183	S	C	.	.			trans	-58.1	129.6	170.1	0	0	0	0	0	110.7	Y242	Y242-G245 PolarHBondContact O-N 2.97Å
246	R	96.3	Very high	95.6	Very high	60 Å²	60	32.4 Å²	32.4	23%	0.226	17%	0.165	C	C	.	.			trans	-102.3	-16.5	-175.5	-57.9	-62.8	80.7	-161.6	-9.7	114.1	L243 R244 G319 V320 E321 D323 R388	L243-R246 PolarHBondContact O-NH2 3.05Å; R244-R246 PolarHBondContact O-N 3.49Å; R244-R246 PolarHBondContact O-NE 3.23Å; R246-G319 PolarHBondContact NH1-O 2.87Å; R246-V320 PolarHBondContact NH1-O 3.23Å; R246-E321 PolarHBondContact NE-O 3.36Å; R246-E321 VanDerWaalsContact NH1-C 3.25Å; R246-E321 PolarHBondContact NH1-O 2.86Å; R246-D323 IonicContact CZ-OD1 3.61Å; R246-D323 IonicContact NH1-OD1 3.23Å; R246-D323 PolarHBondContact NH1-OD1 2.9Å; R246-D323 VanDerWaalsContact NH2-CG 3.3Å; R246-D323 IonicContact NH2-OD1 3.94Å; R246-D323 PolarHBondContact NH2-OD1 2.57Å; R246-D323 IonicContact NH2-OD2 2.78Å; R246-R388 WeakPolarHBondContact O-CG 3.35Å; R246-R388 PolarHBondContact O-N 3.44Å
247	G	95.8	Very high	95.7	Very high	35 Å²	35	31.6 Å²	31.6	36%	0.361	16%	0.164	S	C	.	.	S	Bend	trans	-70.9	167.6	176.3	0	0	0	0	0	113.2	I249 R388	G247-I249 PolarHBondContact O-N 3.3Å; G247-R388 WeakPolarHBondContact O-CG 3.38Å
248	P	97.4	Very high	95.8	Very high	15 Å²	15	30.2 Å²	30.2	10%	0.097	16%	0.159	C	C	.	.			trans	-55.1	133.7	175.3	-28.7	38.5	0	0	0	112.9	N252 A385 G386 E387 V535 L539	P248-N252 WeakPolarHBondContact O-CB 3.41Å; P248-N252 PolarHBondContact O-ND2 3.18Å; P248-A385 WeakPolarHBondContact CB-O 3.25Å; P248-G386 WeakPolarHBondContact CA-O 3.15Å; P248-E387 HydrophobicContact CG-CG 4.37Å; P248-V535 HydrophobicContact CG-CG1 4.03Å; P248-L539 HydrophobicContact CB-CD2 3.59Å; P248-L539 HydrophobicContact CG-CD2 4.05Å
249	I	97.6	Very high	95.9	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.036	15%	0.151	C	C	.	.	H	α-helix	trans	-89.9	-20.4	-180	58	170.4	0	0	0	113.5	G247 V251 S253 N254 F453 D454 E472	G247-I249 PolarHBondContact O-N 3.3Å; I249-V251 VanDerWaalsContact C-N 3.32Å; I249-V251 PolarHBondContact O-N 3.43Å; I249-S253 PolarHBondContact O-N 3.18Å; I249-N254 PolarHBondContact O-N 3.29Å; I249-N254 PolarHBondContact O-OD1 3.39Å; I249-F453 HydrophobicContact CD1-CB 4.46Å; I249-F453 HydrophobicContact CG1-CB 4.44Å; I249-D454 WeakPolarHBondContact CD1-OD1 3.45Å; I249-E472 HydrophobicContact CD1-CG 4.22Å
250	M	96.5	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-50.3	-45.5	-174.9	171.3	179.7	79.6	0	0	113.8	A385 H445 C448 F453 A536 A540	M250-A385 HydrophobicContact SD-CB 3.96Å; M250-H445 HydrophobicContact CE-CB 3.67Å; M250-H445 HydrophobicContact CG-CB 3.68Å; M250-H445 HydrophobicContact SD-CB 3.44Å; M250-H445 WeakPolarHBondContact SD-CB 3.41Å; M250-C448 HydrophobicContact SD-CB 4.17Å; M250-F453 HydrophobicContact CB-CD1 3.98Å; M250-F453 HydrophobicContact CB-CD2 4.25Å; M250-F453 HydrophobicContact CB-CE1 4.07Å; M250-F453 HydrophobicContact CB-CE2 4.32Å; M250-F453 HydrophobicContact CB-CG 4.08Å; M250-F453 HydrophobicContact CB-CZ 4.23Å; M250-F453 HydrophobicContact CG-CD1 3.89Å; M250-F453 HydrophobicContact CG-CD2 4.35Å; M250-F453 HydrophobicContact CG-CE1 3.45Å; M250-F453 VanDerWaalsContact CG-CE1 3.45Å; M250-F453 HydrophobicContact CG-CE2 3.94Å; M250-F453 HydrophobicContact CG-CG 4.33Å; M250-F453 HydrophobicContact CG-CZ 3.46Å; M250-F453 VanDerWaalsContact CG-CZ 3.46Å; M250-F453 HydrophobicContact SD-CD2 4.44Å; M250-F453 HydrophobicContact SD-CE1 4.12Å; M250-F453 HydrophobicContact SD-CE2 3.66Å; M250-F453 HydrophobicContact SD-CZ 3.47Å; M250-F453 WeakPolarHBondContact SD-CZ 3.47Å; M250-A536 HydrophobicContact CE-CB 4.19Å; M250-A536 WeakPolarHBondContact CE-O 3.27Å; M250-A540 HydrophobicContact CE-CB 3.98Å
251	V	97.1	Very high	95.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-105.3	-41.9	178.2	170.2	0	0	0	0	111.4	I249 S253 L444 H445 L539 V543	I249-V251 VanDerWaalsContact C-N 3.32Å; I249-V251 PolarHBondContact O-N 3.43Å; V251-S253 PolarHBondContact O-N 2.85Å; V251-L444 HydrophobicContact CG2-CD2 4.38Å; V251-L444 HydrophobicContact CG2-CG 4.42Å; V251-H445 HydrophobicContact CG2-CB 4.38Å; V251-L539 HydrophobicContact CB-CD1 4.39Å; V251-L539 HydrophobicContact CB-CD2 3.94Å; V251-L539 HydrophobicContact CB-CG 4.03Å; V251-L539 HydrophobicContact CG1-CD1 4.41Å; V251-L539 HydrophobicContact CG2-CD2 4.21Å; V251-L539 HydrophobicContact CG2-CG 4.01Å; V251-V543 HydrophobicContact CB-CG2 4.33Å; V251-V543 HydrophobicContact CG1-CG2 3.47Å; V251-V543 VanDerWaalsContact CG1-CG2 3.47Å; V251-V543 HydrophobicContact CG2-CG2 3.92Å
252	N	96.5	Very high	95.6	Very high	72 Å²	72	24.7 Å²	24.7	39%	0.385	13%	0.131	S	C	.	.	H	α-helix	trans	-79.3	-5	-170	-52.8	-49.6	0	0	0	113.5	P248	P248-N252 WeakPolarHBondContact O-CB 3.41Å; P248-N252 PolarHBondContact O-ND2 3.18Å
253	S	96.8	Very high	95.3	Very high	20 Å²	20	25 Å²	25	14%	0.14	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	-48.7	-178.8	-168.4	0	0	0	0	113.5	I249 V251 H473	I249-S253 PolarHBondContact O-N 3.18Å; V251-S253 PolarHBondContact O-N 2.85Å; S253-H473 VanDerWaalsContact O-CB 3.31Å; S253-H473 WeakPolarHBondContact O-CB 3.43Å
254	N	98.4	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.			trans	-64.2	147	-179.3	-71.4	28.2	0	0	0	110.8	I249 F453 N470 A471	I249-N254 PolarHBondContact O-N 3.29Å; I249-N254 PolarHBondContact O-OD1 3.39Å; N254-F453 PolarHBondContact ND2-O 3.31Å; N254-N470 PolarHBondContact ND2-OD1 2.6Å; N254-A471 WeakPolarHBondContact CA-O 3.29Å; N254-A471 WeakPolarHBondContact CB-O 3.47Å
255	Y	98.1	Very high	94.8	Very high	14 Å²	14	24.5 Å²	24.5	6%	0.055	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	165.5	175.9	58.8	-92.2	0	0	0	110	N470 A471 H473 A476 A478 V481 G709	Y255-N470 CarbonylContact O-C 3.51Å; Y255-N470 WeakPolarHBondContact O-CA 3.38Å; Y255-A471 HydrophobicContact CD2-CB 4.15Å; Y255-A471 HydrophobicContact CE1-CB 4.21Å; Y255-A471 HydrophobicContact CE2-CB 3.65Å; Y255-A471 PolarHBondContact N-O 3.46Å; Y255-A471 VanDerWaalsContact N-O 3.14Å; Y255-A471 PolarHBondContact O-N 2.95Å; Y255-H473 HydrophobicContact CD1-CB 4.03Å; Y255-H473 AromaticContact CD1-CD2 3.85Å; Y255-H473 AromaticContact CD1-CG 3.8Å; Y255-H473 HydrophobicContact CE1-CB 3.93Å; Y255-H473 AromaticContact CE1-CG 3.66Å; Y255-H473 AromaticContact CE1-ND1 3.7Å; Y255-A476 PolarHBondContact OH-O 3.36Å; Y255-A478 HydrophobicContact CD2-CB 4.32Å; Y255-A478 HydrophobicContact CE2-CB 3.99Å; Y255-V481 HydrophobicContact CE2-CB 4.13Å; Y255-V481 HydrophobicContact CE2-CG1 4.48Å; Y255-V481 HydrophobicContact CE2-CG2 4.12Å; Y255-V481 VanDerWaalsContact OH-CG2 3.22Å; Y255-V481 WeakPolarHBondContact OH-CG2 3.44Å; Y255-G709 WeakPolarHBondContact CA-O 3.23Å; Y255-G709 WeakPolarHBondContact CB-O 3.46Å
256	Y	98.1	Very high	95	Very high	8 Å²	8	23.3 Å²	23.3	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	166.3	-176.1	67.1	-91.3	0	0	0	113.1	M258 A440 L443 L444 L469 G708 G709 H733	Y256-M258 HydrophobicContact CE2-CE 4.03Å; Y256-M258 HydrophobicContact CE2-CG 4.4Å; Y256-A440 HydrophobicContact CE2-CB 4.12Å; Y256-A440 WeakPolarHBondContact OH-CB 3.3Å; Y256-L443 HydrophobicContact CD2-CB 3.85Å; Y256-L443 HydrophobicContact CD2-CD1 3.95Å; Y256-L443 HydrophobicContact CG-CB 3.9Å; Y256-L444 HydrophobicContact CD1-CB 3.73Å; Y256-L444 HydrophobicContact CD1-CD1 3.93Å; Y256-L444 HydrophobicContact CD1-CG 4.35Å; Y256-L444 HydrophobicContact CE1-CB 4.01Å; Y256-L444 HydrophobicContact CE1-CD1 4.39Å; Y256-L469 CarbonylContact C-O 3.41Å; Y256-L469 WeakPolarHBondContact CA-O 3.38Å; Y256-L469 WeakPolarHBondContact CB-O 3.43Å; Y256-G708 CarbonylContact O-C 3.46Å; Y256-G708 WeakPolarHBondContact O-CA 3.31Å; Y256-G709 WeakPolarHBondContact CD1-O 3.45Å; Y256-G709 VanDerWaalsContact CE1-C 3.41Å; Y256-G709 WeakPolarHBondContact CE1-O 3.48Å; Y256-G709 PolarHBondContact N-O 2.9Å; Y256-G709 PolarHBondContact O-N 2.88Å; Y256-H733 AromaticContact CE2-CE1 3.85Å; Y256-H733 AromaticContact CE2-ND1 3.54Å; Y256-H733 AromaticContact CZ-ND1 3.58Å; Y256-H733 PolarHBondContact OH-ND1 3.11Å
257	A	97.3	Very high	94.9	Very high	13 Å²	13	24.6 Å²	24.6	11%	0.107	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.5	171.9	0	0	0	0	0	111.6	L443 G468 L469 G707	A257-L443 WeakPolarHBondContact O-CD1 3.43Å; A257-G468 CarbonylContact O-C 3.58Å; A257-G468 VanDerWaalsContact O-CA 3.27Å; A257-G468 WeakPolarHBondContact O-CA 2.99Å; A257-L469 HydrophobicContact CB-CB 4.28Å; A257-L469 PolarHBondContact N-O 2.92Å; A257-L469 PolarHBondContact O-N 3.25Å; A257-G707 CarbonylContact C-O 3.46Å; A257-G707 WeakPolarHBondContact CA-O 3.46Å
258	M	96.1	Very high	95	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	153.7	-176.7	-71.2	-172.7	173.6	0	0	112.7	Y256 Y439 A440 L443 W485 I547 S705 S706 G707	Y256-M258 HydrophobicContact CE2-CE 4.03Å; Y256-M258 HydrophobicContact CE2-CG 4.4Å; M258-Y439 HydrophobicContact CB-CE1 3.8Å; M258-Y439 HydrophobicContact CE-CD1 3.74Å; M258-Y439 HydrophobicContact CE-CE1 4.27Å; M258-Y439 HydrophobicContact CE-CG 4.1Å; M258-Y439 HydrophobicContact CG-CD1 4.04Å; M258-Y439 HydrophobicContact CG-CE1 3.57Å; M258-Y439 HydrophobicContact SD-CD1 3.64Å; M258-Y439 HydrophobicContact SD-CE1 3.68Å; M258-A440 VanDerWaalsContact CE-CA 3.4Å; M258-A440 HydrophobicContact CE-CB 3.51Å; M258-L443 HydrophobicContact CB-CD1 4.35Å; M258-L443 HydrophobicContact CG-CD1 3.57Å; M258-W485 PolarHBondContact O-NE1 3.03Å; M258-I547 HydrophobicContact CE-CG1 4.29Å; M258-S705 PolarHBondContact O-OG 3.09Å; M258-S706 VanDerWaalsContact CB-OG 3.23Å; M258-S706 WeakPolarHBondContact CB-OG 3.43Å; M258-S706 PolarHBondContact SD-OG 3.3Å; M258-G707 PolarHBondContact N-O 2.72Å
259	D	95.4	Very high	95.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.143	C	C	.	.			trans	-63.7	-174.9	170.8	-159.1	-2.6	0	0	0	111.7	R272 Y439 T466 M467 L489 S705	D259-R272 IonicContact OD1-NH2 2.8Å; D259-R272 PolarHBondContact OD1-NH2 2.87Å; D259-R272 IonicContact OD2-CZ 3.18Å; D259-R272 IonicContact OD2-NE 2.72Å; D259-R272 IonicContact OD2-NH2 2.86Å; D259-R272 PolarHBondContact OD2-NH2 3.04Å; D259-Y439 WeakPolarHBondContact CB-OH 3.27Å; D259-Y439 PolarHBondContact N-OH 3.37Å; D259-T466 HydrophobicContact CB-CG2 4.36Å; D259-M467 HydrophobicContact CB-CG 4.09Å; D259-M467 WeakPolarHBondContact CB-O 3.44Å; D259-M467 WeakPolarHBondContact OD1-CE 3.46Å; D259-M467 VanDerWaalsContact OD2-CG 3.22Å; D259-M467 WeakPolarHBondContact OD2-CG 3.35Å; D259-M467 PolarHBondContact OD2-N 3.14Å; D259-L489 WeakPolarHBondContact OD1-CD2 3.3Å; D259-S705 WeakPolarHBondContact O-CA 3.46Å; D259-S705 WeakPolarHBondContact O-CB 3.41Å; D259-S705 PolarHBondContact O-OG 3.18Å
260	F	92	Very high	95.1	Very high	5 Å²	5	28 Å²	28	2%	0.022	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-56.5	140	160.4	-64.4	-53	0	0	0	111.2	V263 L489 P493 F695 M703 V704	F260-V263 HydrophobicContact CB-CB 4.03Å; F260-V263 HydrophobicContact CD2-CB 4.2Å; F260-V263 HydrophobicContact CD2-CG1 4.43Å; F260-V263 HydrophobicContact CG-CB 4.3Å; F260-L489 HydrophobicContact CD1-CD1 4.43Å; F260-L489 HydrophobicContact CD2-CD2 4.04Å; F260-L489 HydrophobicContact CE1-CB 4.07Å; F260-L489 HydrophobicContact CE1-CD1 4.19Å; F260-L489 HydrophobicContact CE2-CB 3.96Å; F260-L489 HydrophobicContact CE2-CD2 4.04Å; F260-L489 WeakPolarHBondContact CE2-O 3.27Å; F260-L489 HydrophobicContact CG-CD2 4.3Å; F260-L489 HydrophobicContact CZ-CB 3.6Å; F260-L489 HydrophobicContact CZ-CD2 4.3Å; F260-L489 HydrophobicContact CZ-CG 4.36Å; F260-L489 WeakPolarHBondContact CZ-O 3.49Å; F260-P493 HydrophobicContact CE2-CG 4.25Å; F260-F695 HydrophobicContact CE1-CE1 4.28Å; F260-F695 HydrophobicContact CE1-CZ 4.12Å; F260-F695 AromaticContact CZ-CE1 3.6Å; F260-F695 HydrophobicContact CZ-CE1 3.6Å; F260-F695 AromaticContact CZ-CZ 3.6Å; F260-F695 HydrophobicContact CZ-CZ 3.6Å; F260-M703 VanDerWaalsContact CD1-C 3.48Å; F260-M703 HydrophobicContact CD1-CB 4.41Å; F260-M703 HydrophobicContact CE1-CB 3.98Å; F260-M703 VanDerWaalsContact CE1-O 3.23Å; F260-M703 WeakPolarHBondContact CE1-O 3.27Å; F260-M703 HydrophobicContact CZ-CB 4.24Å; F260-V704 CarbonylContact C-O 3.45Å; F260-V704 WeakPolarHBondContact CA-O 3.45Å
261	L	88.8	Confident	95.2	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	-77.4	-36.7	178.2	-70.6	-177.4	0	0	0	112.8	F264 L436 V704 S706	L261-F264 WeakPolarHBondContact O-CZ 3.39Å; L261-L436 HydrophobicContact CD2-CD2 3.75Å; L261-V704 PolarHBondContact N-O 2.96Å; L261-S706 WeakPolarHBondContact CD2-OG 3.34Å
262	Y	89.5	Confident	95.3	Very high	93 Å²	93	27.9 Å²	27.9	37%	0.365	14%	0.144	S	C	.	.	S	Bend	trans	-119	-2.7	-167.7	-47.6	-57.2	0	0	0	113.7	Y427 V704	Y262-Y427 AromaticContact CD1-CD1 3.9Å; Y262-Y427 HydrophobicContact CD1-CD1 3.9Å; Y262-Y427 AromaticContact CD1-CE1 3.92Å; Y262-Y427 HydrophobicContact CD1-CE1 3.92Å; Y262-Y427 AromaticContact CE1-CD1 3.81Å; Y262-Y427 HydrophobicContact CE1-CD1 3.81Å; Y262-Y427 AromaticContact CE1-CE1 3.54Å; Y262-Y427 HydrophobicContact CE1-CE1 3.54Å; Y262-Y427 HydrophobicContact CE1-CG 4.46Å; Y262-Y427 AromaticContact CE1-CZ 3.98Å; Y262-V704 HydrophobicContact CD2-CG2 3.49Å; Y262-V704 VanDerWaalsContact CD2-CG2 3.49Å; Y262-V704 HydrophobicContact CE2-CG2 3.43Å; Y262-V704 VanDerWaalsContact CE2-CG2 3.43Å
263	V	88.9	Confident	95.4	Very high	27 Å²	27	24.5 Å²	24.5	16%	0.164	13%	0.125	C	C	.	.			trans	-118.8	121.8	-177	178.1	0	0	0	0	109.9	F260 P265 E702 M703	F260-V263 HydrophobicContact CB-CB 4.03Å; F260-V263 HydrophobicContact CD2-CB 4.2Å; F260-V263 HydrophobicContact CD2-CG1 4.43Å; F260-V263 HydrophobicContact CG-CB 4.3Å; V263-P265 HydrophobicContact CG1-CG 4.14Å; V263-E702 HydrophobicContact CG2-CB 3.94Å; V263-E702 HydrophobicContact CG2-CG 3.5Å; V263-E702 VanDerWaalsContact CG2-CG 3.5Å; V263-E702 WeakPolarHBondContact CG2-O 3.34Å; V263-M703 HydrophobicContact CG2-CG 4.04Å
264	F	90	Very high	95.5	Very high	72 Å²	72	23.5 Å²	23.5	32%	0.316	12%	0.119	S	C	.	.			trans	-126.1	88.3	-178.1	-48.3	-65.4	0	0	0	110.2	L261 T266 R426	L261-F264 WeakPolarHBondContact O-CZ 3.39Å; F264-T266 VanDerWaalsContact C-N 3.25Å; F264-T266 PolarHBondContact O-N 3.25Å; F264-R426 HydrophobicContact CD1-CG 4.13Å; F264-R426 VanDerWaalsContact CE1-CD 3.44Å; F264-R426 HydrophobicContact CE1-CG 3.35Å; F264-R426 HydrophobicContact CE2-CG 4.27Å; F264-R426 HydrophobicContact CZ-CG 3.41Å; F264-R426 VanDerWaalsContact CZ-CG 3.41Å
265	P	91.9	Very high	95.5	Very high	35 Å²	35	23.6 Å²	23.6	23%	0.227	12%	0.119	C	C	.	.	S	Bend	trans	-62.1	-26.1	-172.2	-30.8	40.8	0	0	0	115.6	V263 R272 P493 Y497	V263-P265 HydrophobicContact CG1-CG 4.14Å; P265-R272 VanDerWaalsContact CD-NH1 3.27Å; P265-P493 HydrophobicContact CG-CG 4.32Å; P265-Y497 HydrophobicContact CB-CD2 3.78Å; P265-Y497 HydrophobicContact CB-CE2 3.37Å
266	T	95.9	Very high	95.5	Very high	9 Å²	9	22.9 Å²	22.9	6%	0.055	12%	0.116	C	C	.	.			trans	-157.2	151.7	174.4	-178.5	0	0	0	0	109.8	F264 R268 A271 R272 Y497 G501	F264-T266 VanDerWaalsContact C-N 3.25Å; F264-T266 PolarHBondContact O-N 3.25Å; T266-R268 PolarHBondContact OG1-N 3.36Å; T266-R268 VanDerWaalsContact OG1-N 3.08Å; T266-A271 HydrophobicContact CG2-CB 4.12Å; T266-R272 HydrophobicContact CG2-CB 4Å; T266-Y497 HydrophobicContact CG2-CD1 3.83Å; T266-Y497 HydrophobicContact CG2-CE1 3.36Å; T266-Y497 HydrophobicContact CG2-CE2 4.38Å; T266-Y497 HydrophobicContact CG2-CG 4.48Å; T266-G501 PolarHBondContact OG1-O 3.47Å
267	S	95.8	Very high	95.6	Very high	87 Å²	87	22.5 Å²	22.5	61%	0.608	12%	0.115	S	C	*	.	S	Bend	trans	-89.1	-7	169	56.9	0	0	0	0	113.1	Q269 N464	S267-Q269 PolarHBondContact O-N 3.48Å; S267-N464 WeakPolarHBondContact CA-O 3.44Å; S267-N464 CarbonylContact O-C 3.45Å
268	R	97.9	Very high	95.6	Very high	104 Å²	104	22.8 Å²	22.8	39%	0.392	11%	0.114	S	C	.	.			trans	-84.2	110.6	-178.4	-57.6	-168.4	85.8	120.2	-0.6	110.7	T266 A270 A271 R272 E500 H502	T266-R268 PolarHBondContact OG1-N 3.36Å; T266-R268 VanDerWaalsContact OG1-N 3.08Å; R268-A270 VanDerWaalsContact C-N 3.32Å; R268-A270 PolarHBondContact O-N 3.33Å; R268-A271 HydrophobicContact CB-CB 3.8Å; R268-A271 PolarHBondContact O-N 3.48Å; R268-A271 VanDerWaalsContact O-N 3.16Å; R268-R272 PolarHBondContact O-N 3.28Å; R268-E500 WeakPolarHBondContact CD-O 3.38Å; R268-H502 PolarHBondContact NE-CE1 2.85Å; R268-H502 VanDerWaalsContact NE-CE1 3.32Å; R268-H502 PolarHBondContact NH1-NE2 3.26Å; R268-H502 VanDerWaalsContact NH1-NE2 3.18Å; R268-H502 PolarHBondContact NH2-CE1 3.04Å
269	Q	98.4	Very high	95.7	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.075	11%	0.114	C	C	.	.	H	α-helix	trans	-50.3	-48.2	177.1	-177.9	176.1	36.6	0	0	113.3	S267 A271 R272 A273 L367 L420 D421 V461 Y462	S267-Q269 PolarHBondContact O-N 3.48Å; Q269-A271 PolarHBondContact O-N 3.5Å; Q269-R272 PolarHBondContact O-N 2.95Å; Q269-A273 WeakPolarHBondContact O-CB 3.18Å; Q269-A273 PolarHBondContact O-N 2.93Å; Q269-L367 HydrophobicContact CB-CD1 4.41Å; Q269-L367 HydrophobicContact CG-CD1 4.44Å; Q269-L367 VanDerWaalsContact OE1-CD2 3.26Å; Q269-L420 HydrophobicContact CG-CD2 4.29Å; Q269-L420 VanDerWaalsContact NE2-C 3.35Å; Q269-D421 PolarHBondContact NE2-O 3.29Å; Q269-V461 HydrophobicContact CG-CB 4.49Å; Q269-V461 HydrophobicContact CG-CG1 3.99Å; Q269-V461 PolarHBondContact NE2-O 2.84Å; Q269-Y462 WeakPolarHBondContact CG-O 3.17Å
270	A	98.6	Very high	95.9	Very high	7 Å²	7	22.8 Å²	22.8	6%	0.058	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-41.8	-179.3	0	0	0	0	0	112.6	R268 A273 G274 E360 M363 E364 L367	R268-A270 VanDerWaalsContact C-N 3.32Å; R268-A270 PolarHBondContact O-N 3.33Å; A270-A273 PolarHBondContact O-N 3.43Å; A270-G274 PolarHBondContact O-N 3.04Å; A270-E360 HydrophobicContact CB-CG 3.9Å; A270-M363 HydrophobicContact CB-CB 3.86Å; A270-E364 HydrophobicContact CB-CG 3.7Å; A270-L367 HydrophobicContact CB-CD1 3.95Å
271	A	98.6	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-47.6	178.3	0	0	0	0	0	110.6	T266 R268 Q269 A273 G274 N275 E360 Y497 G501 C503	T266-A271 HydrophobicContact CG2-CB 4.12Å; R268-A271 HydrophobicContact CB-CB 3.8Å; R268-A271 PolarHBondContact O-N 3.48Å; R268-A271 VanDerWaalsContact O-N 3.16Å; Q269-A271 PolarHBondContact O-N 3.5Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 2.93Å; A271-G274 WeakPolarHBondContact O-CA 3.28Å; A271-G274 PolarHBondContact O-N 3.08Å; A271-N275 PolarHBondContact O-N 3.38Å; A271-N275 VanDerWaalsContact O-N 3.1Å; A271-E360 VanDerWaalsContact CA-CD 3.41Å; A271-E360 WeakPolarHBondContact CA-OE1 3.45Å; A271-E360 HydrophobicContact CB-CG 4.39Å; A271-E360 WeakPolarHBondContact CB-OE1 3.46Å; A271-Y497 HydrophobicContact CB-CD1 4.12Å; A271-Y497 HydrophobicContact CB-CE1 3.9Å; A271-G501 WeakPolarHBondContact CB-O 3.45Å; A271-C503 PolarHBondContact O-SG 3.24Å
272	R	98.3	Very high	96.6	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-54.6	-49.2	175.8	-169.1	81.3	172.1	148.1	-4.4	111.3	D259 P265 T266 R268 Q269 G274 A276 V461 G465 M467 D492	D259-R272 IonicContact OD1-NH2 2.8Å; D259-R272 PolarHBondContact OD1-NH2 2.87Å; D259-R272 IonicContact OD2-CZ 3.18Å; D259-R272 IonicContact OD2-NE 2.72Å; D259-R272 IonicContact OD2-NH2 2.86Å; D259-R272 PolarHBondContact OD2-NH2 3.04Å; P265-R272 VanDerWaalsContact CD-NH1 3.27Å; T266-R272 HydrophobicContact CG2-CB 4Å; R268-R272 PolarHBondContact O-N 3.28Å; Q269-R272 PolarHBondContact O-N 2.95Å; R272-G274 VanDerWaalsContact C-N 3.29Å; R272-G274 PolarHBondContact O-N 2.85Å; R272-A276 VanDerWaalsContact O-CB 3.27Å; R272-A276 WeakPolarHBondContact O-CB 3.37Å; R272-A276 PolarHBondContact O-N 3.23Å; R272-V461 HydrophobicContact CB-CG1 3.97Å; R272-V461 HydrophobicContact CG-CG1 4.03Å; R272-G465 WeakPolarHBondContact CD-O 3.28Å; R272-G465 WeakPolarHBondContact CG-O 3.44Å; R272-G465 PolarHBondContact NE-O 3.02Å; R272-M467 HydrophobicContact CG-SD 4.41Å; R272-D492 IonicContact CZ-OD2 3.63Å; R272-D492 IonicContact NH1-OD1 3.73Å; R272-D492 PolarHBondContact NH1-OD1 2.62Å; R272-D492 IonicContact NH1-OD2 2.93Å; R272-D492 PolarHBondContact NH1-OD2 3.32Å
273	A	98.8	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-39.8	176.3	0	0	0	0	0	111.8	Q269 A270 A271 V277 M363 L420 V461	Q269-A273 WeakPolarHBondContact O-CB 3.18Å; Q269-A273 PolarHBondContact O-N 2.93Å; A270-A273 PolarHBondContact O-N 3.43Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 2.93Å; A273-V277 WeakPolarHBondContact O-CB 3.43Å; A273-V277 WeakPolarHBondContact O-CG2 3.15Å; A273-V277 PolarHBondContact O-N 2.9Å; A273-M363 HydrophobicContact CB-CG 3.88Å; A273-L420 HydrophobicContact CB-CD2 4.03Å; A273-V461 HydrophobicContact CB-CG1 4.4Å; A273-V461 HydrophobicContact CB-CG2 4.1Å
274	G	98.6	Very high	97.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.5	-55.8	177.1	0	0	0	0	0	113.5	A270 A271 R272 H278	A270-G274 PolarHBondContact O-N 3.04Å; A271-G274 WeakPolarHBondContact O-CA 3.28Å; A271-G274 PolarHBondContact O-N 3.08Å; R272-G274 VanDerWaalsContact C-N 3.29Å; R272-G274 PolarHBondContact O-N 2.85Å; G274-H278 WeakPolarHBondContact O-CB 3.46Å; G274-H278 PolarHBondContact O-N 2.95Å; G274-H278 VanDerWaalsContact O-N 3.12Å
275	N	98.6	Very high	97.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-45.1	178.5	-87.5	-9.6	0	0	0	112.1	A271 H278 A279 P356 D492 L495 G496 Y497	A271-N275 PolarHBondContact O-N 3.38Å; A271-N275 VanDerWaalsContact O-N 3.1Å; N275-H278 PolarHBondContact O-N 3.29Å; N275-A279 WeakPolarHBondContact O-CB 3.38Å; N275-A279 PolarHBondContact O-N 3.19Å; N275-P356 WeakPolarHBondContact OD1-CB 3.49Å; N275-P356 WeakPolarHBondContact OD1-CG 3.49Å; N275-D492 WeakPolarHBondContact CB-OD1 3.23Å; N275-L495 HydrophobicContact CB-CD1 4.08Å; N275-L495 WeakPolarHBondContact OD1-CB 3.46Å; N275-G496 PolarHBondContact ND2-O 3.21Å; N275-Y497 HydrophobicContact CB-CE1 4.46Å; N275-Y497 WeakPolarHBondContact CB-OH 3.35Å; N275-Y497 WeakPolarHBondContact ND2-CE1 3.4Å; N275-Y497 WeakPolarHBondContact ND2-CE2 3.3Å; N275-Y497 PolarHBondContact ND2-OH 3.23Å
276	A	98.6	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-48.7	-178.9	0	0	0	0	0	112.4	R272 H278 A279 I280 L459 M467 V488	R272-A276 VanDerWaalsContact O-CB 3.27Å; R272-A276 WeakPolarHBondContact O-CB 3.37Å; R272-A276 PolarHBondContact O-N 3.23Å; A276-H278 VanDerWaalsContact C-N 3.31Å; A276-H278 PolarHBondContact O-N 3.49Å; A276-A279 PolarHBondContact O-N 2.96Å; A276-I280 VanDerWaalsContact O-CG1 3.28Å; A276-I280 WeakPolarHBondContact O-CG1 3.39Å; A276-I280 PolarHBondContact O-N 3.31Å; A276-L459 HydrophobicContact CB-CD2 4.19Å; A276-M467 HydrophobicContact CB-SD 3.82Å; A276-V488 HydrophobicContact CB-CG1 4.19Å
277	V	98.9	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.8	-40.7	176.9	168.1	0	0	0	0	110.7	A273 I280 M281 I334 M347 I359 F416 V418 L459	A273-V277 WeakPolarHBondContact O-CB 3.43Å; A273-V277 WeakPolarHBondContact O-CG2 3.15Å; A273-V277 PolarHBondContact O-N 2.9Å; V277-I280 PolarHBondContact O-N 3.46Å; V277-M281 VanDerWaalsContact O-CG 3.3Å; V277-M281 WeakPolarHBondContact O-CG 3.27Å; V277-M281 PolarHBondContact O-N 3.45Å; V277-I334 HydrophobicContact CG1-CD1 4Å; V277-I334 HydrophobicContact CG2-CD1 4.38Å; V277-M347 HydrophobicContact CG1-CE 3.37Å; V277-M347 HydrophobicContact CG1-SD 4.09Å; V277-I359 HydrophobicContact CB-CG2 4.02Å; V277-I359 HydrophobicContact CG1-CD1 4.18Å; V277-I359 HydrophobicContact CG1-CG2 3.91Å; V277-F416 HydrophobicContact CB-CZ 4.43Å; V277-F416 HydrophobicContact CG1-CZ 4.04Å; V277-F416 HydrophobicContact CG2-CE2 4.22Å; V277-F416 HydrophobicContact CG2-CZ 4.27Å; V277-V418 HydrophobicContact CG2-CG2 4.15Å; V277-L459 HydrophobicContact CG2-CD2 3.82Å
278	H	98.6	Very high	97.4	Very high	19 Å²	19	20.5 Å²	20.5	9%	0.088	9%	0.088	C	C	.	.	H	α-helix	trans	-60.7	-48	175.5	-169.3	80.6	0	0	0	111.5	G274 N275 A276 I280 M281 L282 L354 P356 I359 L495	G274-H278 WeakPolarHBondContact O-CB 3.46Å; G274-H278 PolarHBondContact O-N 2.95Å; G274-H278 VanDerWaalsContact O-N 3.12Å; N275-H278 PolarHBondContact O-N 3.29Å; A276-H278 VanDerWaalsContact C-N 3.31Å; A276-H278 PolarHBondContact O-N 3.49Å; H278-I280 PolarHBondContact O-N 3.35Å; H278-M281 PolarHBondContact O-N 3.22Å; H278-M281 VanDerWaalsContact O-N 3.16Å; H278-L282 WeakPolarHBondContact O-CG 3.01Å; H278-L282 PolarHBondContact O-N 3.37Å; H278-L354 PolarHBondContact CE1-O 3.4Å; H278-L354 VanDerWaalsContact CE1-O 3.26Å; H278-L354 PolarHBondContact ND1-O 3.04Å; H278-P356 HydrophobicContact CB-CG 3.96Å; H278-I359 HydrophobicContact CB-CD1 3.8Å; H278-L495 HydrophobicContact CB-CD1 4.47Å
279	A	98.5	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-43.8	178	0	0	0	0	0	112.3	N275 A276 M281 L282 Y283 V488 M491 L495	N275-A279 WeakPolarHBondContact O-CB 3.38Å; N275-A279 PolarHBondContact O-N 3.19Å; A276-A279 PolarHBondContact O-N 2.96Å; A279-M281 VanDerWaalsContact C-N 3.34Å; A279-M281 PolarHBondContact O-N 2.92Å; A279-L282 PolarHBondContact O-N 3.22Å; A279-Y283 PolarHBondContact O-N 3.14Å; A279-V488 HydrophobicContact CB-CG1 4.4Å; A279-V488 HydrophobicContact CB-CG2 4.45Å; A279-M491 HydrophobicContact CB-CB 3.8Å; A279-M491 HydrophobicContact CB-CG 3.85Å; A279-L495 HydrophobicContact CB-CD1 4.49Å
280	I	98.7	Very high	96.9	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-44	174.5	-68.3	169.7	0	0	0	110.9	A276 V277 H278 L282 Y283 R284 F312 F416 F457 L459 L484 V488	A276-I280 VanDerWaalsContact O-CG1 3.28Å; A276-I280 WeakPolarHBondContact O-CG1 3.39Å; A276-I280 PolarHBondContact O-N 3.31Å; V277-I280 PolarHBondContact O-N 3.46Å; H278-I280 PolarHBondContact O-N 3.35Å; I280-L282 PolarHBondContact O-N 2.79Å; I280-Y283 WeakPolarHBondContact O-CB 3.13Å; I280-Y283 PolarHBondContact O-N 2.74Å; I280-R284 WeakPolarHBondContact O-CB 3.37Å; I280-R284 PolarHBondContact O-N 3.29Å; I280-F312 HydrophobicContact CG2-CE1 3.45Å; I280-F312 VanDerWaalsContact CG2-CE1 3.45Å; I280-F312 HydrophobicContact CG2-CZ 3.92Å; I280-F416 HydrophobicContact CB-CE1 4.2Å; I280-F416 HydrophobicContact CB-CZ 4.02Å; I280-F416 HydrophobicContact CD1-CE2 4Å; I280-F416 HydrophobicContact CD1-CZ 4.12Å; I280-F416 HydrophobicContact CG2-CD1 3.84Å; I280-F416 HydrophobicContact CG2-CE1 3.37Å; I280-F416 HydrophobicContact CG2-CE2 4.3Å; I280-F416 HydrophobicContact CG2-CG 4.48Å; I280-F416 HydrophobicContact CG2-CZ 3.62Å; I280-F457 HydrophobicContact CD1-CE2 4.38Å; I280-F457 HydrophobicContact CG2-CZ 4.09Å; I280-L459 HydrophobicContact CD1-CB 4.45Å; I280-L459 HydrophobicContact CD1-CD1 4.37Å; I280-L459 HydrophobicContact CD1-CD2 3.89Å; I280-L459 HydrophobicContact CD1-CG 4.47Å; I280-L484 HydrophobicContact CG1-CD1 4.46Å; I280-V488 HydrophobicContact CB-CG2 4.47Å; I280-V488 HydrophobicContact CD1-CG2 4.34Å; I280-V488 HydrophobicContact CG1-CG1 4.49Å; I280-V488 HydrophobicContact CG1-CG2 3.38Å
281	M	98.2	Very high	96.6	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.03	10%	0.102	C	C	.	.	H	α-helix	trans	-69.1	-32.4	179	-70.5	-64.7	-68.7	0	0	112.9	V277 H278 A279 R284 R285 M347 F348 L353 F416	V277-M281 VanDerWaalsContact O-CG 3.3Å; V277-M281 WeakPolarHBondContact O-CG 3.27Å; V277-M281 PolarHBondContact O-N 3.45Å; H278-M281 PolarHBondContact O-N 3.22Å; H278-M281 VanDerWaalsContact O-N 3.16Å; A279-M281 VanDerWaalsContact C-N 3.34Å; A279-M281 PolarHBondContact O-N 2.92Å; M281-R284 PolarHBondContact O-N 3.42Å; M281-R285 WeakPolarHBondContact O-CB 3.45Å; M281-R285 PolarHBondContact O-N 2.81Å; M281-M347 HydrophobicContact CE-CB 3.63Å; M281-M347 HydrophobicContact CE-CG 3.98Å; M281-M347 HydrophobicContact CG-CE 4.25Å; M281-M347 HydrophobicContact CG-CG 4.49Å; M281-M347 HydrophobicContact SD-CG 4.26Å; M281-F348 HydrophobicContact CE-CE2 3.76Å; M281-F348 HydrophobicContact CE-CZ 4Å; M281-L353 HydrophobicContact CB-CD1 3.64Å; M281-L353 HydrophobicContact CB-CD2 3.9Å; M281-L353 HydrophobicContact CB-CG 4.4Å; M281-L353 HydrophobicContact CE-CD1 3.77Å; M281-L353 HydrophobicContact CG-CD1 4.09Å; M281-F416 HydrophobicContact CG-CE1 4.33Å; M281-F416 HydrophobicContact SD-CE1 3.93Å
282	L	97.4	Very high	96.4	Very high	23 Å²	23	23.7 Å²	23.7	12%	0.12	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-41.8	170.7	-70.7	-179.7	0	0	0	111.8	H278 A279 I280 R285 K286 L353	H278-L282 WeakPolarHBondContact O-CG 3.01Å; H278-L282 PolarHBondContact O-N 3.37Å; A279-L282 PolarHBondContact O-N 3.22Å; I280-L282 PolarHBondContact O-N 2.79Å; L282-R285 VanDerWaalsContact CD2-NH2 3.3Å; L282-R285 PolarHBondContact O-N 2.9Å; L282-K286 PolarHBondContact O-N 2.72Å; L282-K286 VanDerWaalsContact O-N 3.15Å; L282-L353 HydrophobicContact CD2-CD2 4.05Å; L282-L353 HydrophobicContact CG-CD2 4.45Å
283	Y	97.5	Very high	96.1	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-51.7	173	-174.5	-84.5	0	0	0	110.9	A279 I280 R285 K286 L287 I292 F308 L311 F312 H483 L484 H487	A279-Y283 PolarHBondContact O-N 3.14Å; I280-Y283 WeakPolarHBondContact O-CB 3.13Å; I280-Y283 PolarHBondContact O-N 2.74Å; Y283-R285 PolarHBondContact O-N 3Å; Y283-K286 WeakPolarHBondContact O-CA 3.48Å; Y283-K286 WeakPolarHBondContact O-CB 3.45Å; Y283-K286 PolarHBondContact O-N 3.12Å; Y283-L287 PolarHBondContact O-N 2.95Å; Y283-I292 HydrophobicContact CD1-CD1 4.19Å; Y283-I292 HydrophobicContact CD2-CD1 4.36Å; Y283-I292 HydrophobicContact CE1-CD1 3.59Å; Y283-I292 HydrophobicContact CE2-CD1 3.81Å; Y283-F308 VanDerWaalsContact OH-CE1 3.27Å; Y283-F308 WeakPolarHBondContact OH-CE1 3.38Å; Y283-L311 HydrophobicContact CD1-CD2 4.26Å; Y283-L311 HydrophobicContact CE1-CD2 3.58Å; Y283-F312 AromaticContact CD1-CE2 3.83Å; Y283-F312 HydrophobicContact CD1-CE2 3.83Å; Y283-F312 AromaticContact CD1-CZ 3.99Å; Y283-F312 HydrophobicContact CD1-CZ 3.99Å; Y283-F312 HydrophobicContact CE1-CE2 4.26Å; Y283-H483 AromaticContact CE2-CE1 3.67Å; Y283-H483 AromaticContact CE2-ND1 3.38Å; Y283-H483 WeakPolarHBondContact CE2-ND1 3.42Å; Y283-H483 AromaticContact CZ-ND1 3.65Å; Y283-H483 PolarHBondContact OH-ND1 3.4Å; Y283-L484 HydrophobicContact CD1-CD1 3.56Å; Y283-L484 HydrophobicContact CD2-CD1 4.08Å; Y283-L484 HydrophobicContact CE1-CB 4.39Å; Y283-L484 HydrophobicContact CE1-CD1 4.08Å; Y283-L484 HydrophobicContact CG-CD1 3.55Å; Y283-H487 HydrophobicContact CD2-CB 3.7Å; Y283-H487 AromaticContact CD2-CD2 3.71Å; Y283-H487 AromaticContact CD2-CG 3.65Å; Y283-H487 HydrophobicContact CE2-CB 4.14Å
284	R	96.4	Very high	95.8	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-54.1	-41.4	176.4	-175.2	176.9	175.5	-133	-6.9	112	I280 M281 K286 L287 D288 F312 N313 S331	I280-R284 WeakPolarHBondContact O-CB 3.37Å; I280-R284 PolarHBondContact O-N 3.29Å; M281-R284 PolarHBondContact O-N 3.42Å; R284-K286 VanDerWaalsContact C-N 3.35Å; R284-K286 PolarHBondContact O-N 3.3Å; R284-L287 PolarHBondContact O-N 3.47Å; R284-D288 VanDerWaalsContact O-CB 3.3Å; R284-D288 WeakPolarHBondContact O-CB 3.41Å; R284-D288 PolarHBondContact O-N 3.29Å; R284-F312 HydrophobicContact CB-CD1 4.27Å; R284-F312 HydrophobicContact CB-CD2 3.99Å; R284-F312 HydrophobicContact CB-CE1 3.99Å; R284-F312 HydrophobicContact CB-CE2 3.7Å; R284-F312 HydrophobicContact CB-CG 4.25Å; R284-F312 HydrophobicContact CB-CZ 3.7Å; R284-F312 HydrophobicContact CG-CB 4.29Å; R284-F312 HydrophobicContact CG-CD1 4.1Å; R284-F312 HydrophobicContact CG-CD2 3.72Å; R284-F312 HydrophobicContact CG-CE1 4.33Å; R284-F312 HydrophobicContact CG-CE2 3.99Å; R284-F312 HydrophobicContact CG-CG 3.77Å; R284-F312 HydrophobicContact CG-CZ 4.29Å; R284-N313 PolarHBondContact NE-OD1 2.96Å; R284-N313 PolarHBondContact NH2-ND2 3.4Å; R284-N313 PolarHBondContact NH2-OD1 3.47Å; R284-S331 VanDerWaalsContact CZ-O 3.3Å; R284-S331 PolarHBondContact NH1-O 2.95Å; R284-S331 PolarHBondContact NH2-O 3.37Å
285	R	93.7	Very high	95.5	Very high	117 Å²	117	33.1 Å²	33.1	44%	0.442	15%	0.148	S	C	.	.	H	α-helix	trans	-62.8	-38.1	176.2	-174.9	176.2	70.3	177.7	2.5	112.7	M281 L282 Y283 R289	M281-R285 WeakPolarHBondContact O-CB 3.45Å; M281-R285 PolarHBondContact O-N 2.81Å; L282-R285 VanDerWaalsContact CD2-NH2 3.3Å; L282-R285 PolarHBondContact O-N 2.9Å; Y283-R285 PolarHBondContact O-N 3Å; R285-R289 WeakPolarHBondContact O-CG 3.48Å; R285-R289 PolarHBondContact O-N 3.49Å
286	K	94.9	Very high	95.1	Very high	82 Å²	82	35.7 Å²	35.7	36%	0.357	16%	0.16	S	C	.	.	H	α-helix	trans	-69	-44.1	174.9	-69.6	175.2	-179.7	171.1	0	110.8	L282 Y283 R284 R289 A290 Q291 I292	L282-K286 PolarHBondContact O-N 2.72Å; L282-K286 VanDerWaalsContact O-N 3.15Å; Y283-K286 WeakPolarHBondContact O-CA 3.48Å; Y283-K286 WeakPolarHBondContact O-CB 3.45Å; Y283-K286 PolarHBondContact O-N 3.12Å; R284-K286 VanDerWaalsContact C-N 3.35Å; R284-K286 PolarHBondContact O-N 3.3Å; K286-R289 CarbonylContact O-C 3.53Å; K286-R289 PolarHBondContact O-N 2.98Å; K286-A290 PolarHBondContact O-N 2.9Å; K286-Q291 HydrophobicContact CB-CB 4.37Å; K286-Q291 PolarHBondContact O-N 3.44Å; K286-I292 HydrophobicContact CB-CG1 3.88Å
287	L	94.8	Very high	94.6	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-49.5	176.8	175.9	62.1	0	0	0	112	L165 Y283 R284 R289 A290 I292 F308 L311 F312	L165-L287 HydrophobicContact CD2-CD1 3.44Å; L165-L287 VanDerWaalsContact CD2-CD1 3.44Å; Y283-L287 PolarHBondContact O-N 2.95Å; R284-L287 PolarHBondContact O-N 3.47Å; L287-R289 PolarHBondContact O-N 2.93Å; L287-A290 WeakPolarHBondContact O-CA 3.38Å; L287-A290 PolarHBondContact O-N 2.81Å; L287-I292 HydrophobicContact CB-CD1 3.7Å; L287-I292 HydrophobicContact CD1-CD1 4.15Å; L287-F308 HydrophobicContact CD1-CB 3.72Å; L287-F308 HydrophobicContact CD1-CG 4.5Å; L287-F308 WeakPolarHBondContact CD2-O 3.47Å; L287-L311 HydrophobicContact CD2-CB 4.3Å; L287-L311 HydrophobicContact CD2-CD2 4.25Å; L287-F312 HydrophobicContact CD2-CD2 3.63Å; L287-F312 HydrophobicContact CD2-CE2 3.77Å
288	D	91.5	Very high	94	Very high	36 Å²	36	42.7 Å²	42.7	19%	0.193	20%	0.197	C	C	.	.	H	α-helix	trans	-55.9	-25.7	177.8	-94	-16.2	0	0	0	113.5	K41 R45 R284	K41-D288 VanDerWaalsContact CE-OD2 3.25Å; K41-D288 WeakPolarHBondContact CE-OD2 3.05Å; K41-D288 IonicContact NZ-OD2 3.84Å; K41-D288 PolarHBondContact NZ-OD2 2.9Å; R45-D288 VanDerWaalsContact CG-O 3.29Å; R45-D288 WeakPolarHBondContact CG-O 3.39Å; R45-D288 IonicContact CZ-OD1 2.76Å; R45-D288 PolarHBondContact NE-O 3.45Å; R45-D288 IonicContact NH2-OD1 3.19Å; R45-D288 PolarHBondContact NH2-OD1 2.86Å; R45-D288 IonicContact NH2-OD2 2.74Å; R45-D288 PolarHBondContact NH2-OD2 3.06Å; R284-D288 VanDerWaalsContact O-CB 3.3Å; R284-D288 WeakPolarHBondContact O-CB 3.41Å; R284-D288 PolarHBondContact O-N 3.29Å
289	R	91.4	Very high	93.3	Very high	75 Å²	75	50 Å²	50	28%	0.283	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	5.7	179	-63.9	175.2	178.8	-178.8	-0.1	112	V44 N48 R285 K286 L287 Q291	V44-R289 HydrophobicContact CG1-CB 4.2Å; V44-R289 HydrophobicContact CG1-CG 3.93Å; N48-R289 PolarHBondContact ND2-O 2.94Å; R285-R289 WeakPolarHBondContact O-CG 3.48Å; R285-R289 PolarHBondContact O-N 3.49Å; K286-R289 CarbonylContact O-C 3.53Å; K286-R289 PolarHBondContact O-N 2.98Å; L287-R289 PolarHBondContact O-N 2.93Å; R289-Q291 HydrophobicContact CB-CB 4.47Å; R289-Q291 HydrophobicContact CB-CG 3.73Å; R289-Q291 PolarHBondContact O-N 3.29Å; R289-Q291 VanDerWaalsContact O-N 3.16Å
290	A	93.5	Very high	92.9	Very high	8 Å²	8	51.3 Å²	51.3	7%	0.066	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	28.1	-173	0	0	0	0	0	114	L164 L165 Y166 K286 L287	L164-A290 HydrophobicContact CB-CB 4.36Å; L164-A290 WeakPolarHBondContact CB-O 3.08Å; L165-A290 HydrophobicContact CB-CB 4.19Å; L165-A290 PolarHBondContact N-O 3.14Å; Y166-A290 HydrophobicContact CD2-CB 3.76Å; Y166-A290 HydrophobicContact CE2-CB 4.09Å; K286-A290 PolarHBondContact O-N 2.9Å; L287-A290 WeakPolarHBondContact O-CA 3.38Å; L287-A290 PolarHBondContact O-N 2.81Å
291	Q	93.4	Very high	92.6	Very high	99 Å²	99	51.6 Å²	51.6	46%	0.463	24%	0.24	S	C	.	.			trans	-88.4	-6.8	-176	-70.5	-179.9	-36.7	0	0	113.7	K286 R289	K286-Q291 HydrophobicContact CB-CB 4.37Å; K286-Q291 PolarHBondContact O-N 3.44Å; R289-Q291 HydrophobicContact CB-CB 4.47Å; R289-Q291 HydrophobicContact CB-CG 3.73Å; R289-Q291 PolarHBondContact O-N 3.29Å; R289-Q291 VanDerWaalsContact O-N 3.16Å
292	I	93.9	Very high	92.4	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.062	24%	0.239	C	C	.	.	S	Bend	trans	-67	134.9	168	-60.3	175	0	0	0	107.3	L165 Y283 K286 L287	L165-I292 WeakPolarHBondContact CA-O 3.42Å; L165-I292 VanDerWaalsContact CB-O 3.28Å; L165-I292 WeakPolarHBondContact CB-O 3.22Å; L165-I292 HydrophobicContact CD1-CB 4.2Å; L165-I292 HydrophobicContact CD1-CG2 4.12Å; L165-I292 HydrophobicContact CD2-CB 4.28Å; L165-I292 PolarHBondContact N-O 2.96Å; Y283-I292 HydrophobicContact CD1-CD1 4.19Å; Y283-I292 HydrophobicContact CD2-CD1 4.36Å; Y283-I292 HydrophobicContact CE1-CD1 3.59Å; Y283-I292 HydrophobicContact CE2-CD1 3.81Å; K286-I292 HydrophobicContact CB-CG1 3.88Å; L287-I292 HydrophobicContact CB-CD1 3.7Å; L287-I292 HydrophobicContact CD1-CD1 4.15Å
293	K	91.9	Very high	92.3	Very high	173 Å²	173	51 Å²	51	75%	0.752	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-70.3	139.7	178.4	-67.5	-177.9	-178.6	175.2	0	109	L295	K293-L295 PolarHBondContact O-N 2.69Å
294	P	92.4	Very high	92.3	Very high	12 Å²	12	51 Å²	51	8%	0.078	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-57.3	140.2	170	-20.4	30.7	0	0	0	110.5	P163 L164 F168 M296	P163-P294 HydrophobicContact CB-CG 4.04Å; P163-P294 HydrophobicContact CG-CG 4.26Å; L164-P294 WeakPolarHBondContact O-CG 3.43Å; F168-P294 HydrophobicContact CD2-CB 4.23Å; F168-P294 HydrophobicContact CD2-CG 4.1Å; F168-P294 HydrophobicContact CE2-CB 4.44Å; F168-P294 HydrophobicContact CE2-CG 4.19Å; P294-M296 HydrophobicContact CB-CE 4.24Å
295	L	92.5	Very high	92.3	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-71.4	139.5	170.6	-68	174.3	0	0	0	109.9	K293 M303 F308 Q691 V692	K293-L295 PolarHBondContact O-N 2.69Å; L295-M303 HydrophobicContact CB-CE 3.43Å; L295-M303 VanDerWaalsContact CB-CE 3.43Å; L295-M303 HydrophobicContact CD1-CE 4.26Å; L295-M303 HydrophobicContact CG-CE 4.46Å; L295-M303 PolarHBondContact O-N 2.93Å; L295-F308 HydrophobicContact CD1-CZ 4.32Å; L295-Q691 HydrophobicContact CD2-CB 4.28Å; L295-V692 HydrophobicContact CD2-CG1 4.14Å
296	M	90.8	Very high	92.3	Very high	54 Å²	54	46.5 Å²	46.5	27%	0.266	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.8	-171.8	-64.3	-78.7	-169.7	0	0	110.6	P163 F168 P294 I301 P302	P163-M296 HydrophobicContact CG-CE 4.22Å; F168-M296 HydrophobicContact CD2-CE 4.1Å; F168-M296 HydrophobicContact CE2-CE 3.19Å; F168-M296 HydrophobicContact CZ-CE 3.5Å; P294-M296 HydrophobicContact CB-CE 4.24Å; M296-I301 CarbonylContact C-O 3.59Å; M296-I301 VanDerWaalsContact CA-O 3.23Å; M296-I301 WeakPolarHBondContact CA-O 3.39Å; M296-P302 HydrophobicContact CE-CB 4.06Å; M296-P302 WeakPolarHBondContact SD-CA 3.35Å; M296-P302 HydrophobicContact SD-CB 3.67Å; M296-P302 HydrophobicContact SD-CG 4.5Å; M296-P302 VanDerWaalsContact SD-N 3.39Å
297	L	88.7	Confident	92.4	Very high	40 Å²	40	43.3 Å²	43.3	21%	0.209	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	141.2	165.6	-59.1	179.3	0	0	0	109.5	W136 Q299 T300 I301 M303 M592 L595 M646	W136-L297 HydrophobicContact CH2-CD1 4.11Å; L297-Q299 PolarHBondContact O-N 3.32Å; L297-T300 PolarHBondContact O-N 3.46Å; L297-I301 HydrophobicContact CB-CB 4.21Å; L297-I301 PolarHBondContact N-O 2.84Å; L297-I301 PolarHBondContact O-N 3.18Å; L297-M303 HydrophobicContact CD1-SD 4.5Å; L297-M303 HydrophobicContact CD2-CE 4.21Å; L297-M303 HydrophobicContact CD2-SD 4.02Å; L297-M303 HydrophobicContact CG-CG 4.32Å; L297-M303 HydrophobicContact CG-SD 4.02Å; L297-M592 HydrophobicContact CD2-CE 4.14Å; L297-L595 HydrophobicContact CD1-CD2 3.84Å; L297-M646 HydrophobicContact CD1-CE 4.02Å
298	L	84.4	Confident	92.4	Very high	108 Å²	108	42.9 Å²	42.9	57%	0.565	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	29.8	-176.7	-53.5	177.4	0	0	0	112.8	W136 T300 I301	W136-L298 HydrophobicContact CE3-CD1 4.02Å; W136-L298 HydrophobicContact CZ3-CD1 4.12Å; L298-T300 PolarHBondContact O-N 3.45Å; L298-T300 PolarHBondContact O-OG1 3.37Å; L298-I301 HydrophobicContact CD1-CD1 4.23Å
299	Q	85.4	Confident	92.5	Very high	171 Å²	171	46.7 Å²	46.7	80%	0.799	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	11.7	-175.4	-57	178.3	-13.4	0	0	115.4	L297	L297-Q299 PolarHBondContact O-N 3.32Å
300	T	89.2	Confident	92.6	Very high	29 Å²	29	47.2 Å²	47.2	18%	0.178	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-33.5	-170.2	-52.1	0	0	0	0	113	L152 V155 K156 L297 L298 P302	L152-T300 HydrophobicContact CD2-CG2 3.88Å; V155-T300 HydrophobicContact CB-CG2 4.2Å; V155-T300 HydrophobicContact CG1-CG2 3.88Å; K156-T300 HydrophobicContact CB-CG2 4.38Å; L297-T300 PolarHBondContact O-N 3.46Å; L298-T300 PolarHBondContact O-N 3.45Å; L298-T300 PolarHBondContact O-OG1 3.37Å; T300-P302 WeakPolarHBondContact O-CD 3.39Å
301	I	92.9	Very high	92.8	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110	-171.1	-54.6	165.5	0	0	0	109	L131 W136 W151 M296 L297 L298 L595	L131-I301 HydrophobicContact CD2-CG2 4.41Å; W136-I301 HydrophobicContact CD2-CD1 3.77Å; W136-I301 HydrophobicContact CE3-CD1 3.96Å; W136-I301 HydrophobicContact CG-CD1 4.48Å; W136-I301 HydrophobicContact CH2-CD1 3.74Å; W136-I301 HydrophobicContact CZ2-CD1 3.53Å; W136-I301 HydrophobicContact CZ2-CG2 4.46Å; W136-I301 HydrophobicContact CZ3-CD1 3.94Å; W151-I301 HydrophobicContact CH2-CD1 3.57Å; W151-I301 HydrophobicContact CH2-CG1 3.69Å; W151-I301 HydrophobicContact CZ3-CD1 4.01Å; W151-I301 HydrophobicContact CZ3-CG1 4.29Å; M296-I301 CarbonylContact C-O 3.59Å; M296-I301 VanDerWaalsContact CA-O 3.23Å; M296-I301 WeakPolarHBondContact CA-O 3.39Å; L297-I301 HydrophobicContact CB-CB 4.21Å; L297-I301 PolarHBondContact N-O 2.84Å; L297-I301 PolarHBondContact O-N 3.18Å; L298-I301 HydrophobicContact CD1-CD1 4.23Å; I301-L595 HydrophobicContact CG2-CD2 4Å
302	P	94.8	Very high	93	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145	-174.8	30.3	-36.9	0	0	0	112.6	L131 F168 L172 M296 T300	L131-P302 HydrophobicContact CD1-CG 3.89Å; L131-P302 HydrophobicContact CD2-CG 4.11Å; F168-P302 HydrophobicContact CB-CB 3.91Å; F168-P302 HydrophobicContact CB-CG 4.14Å; F168-P302 HydrophobicContact CD1-CB 3.86Å; F168-P302 HydrophobicContact CD1-CG 3.56Å; F168-P302 HydrophobicContact CD2-CB 3.59Å; F168-P302 HydrophobicContact CD2-CG 4.25Å; F168-P302 HydrophobicContact CE1-CB 4.19Å; F168-P302 HydrophobicContact CE1-CG 3.88Å; F168-P302 HydrophobicContact CE2-CB 3.97Å; F168-P302 HydrophobicContact CG-CB 3.51Å; F168-P302 HydrophobicContact CG-CG 3.73Å; F168-P302 HydrophobicContact CZ-CB 4.22Å; F168-P302 HydrophobicContact CZ-CG 4.35Å; L172-P302 HydrophobicContact CD2-CG 4.24Å; M296-P302 HydrophobicContact CE-CB 4.06Å; M296-P302 WeakPolarHBondContact SD-CA 3.35Å; M296-P302 HydrophobicContact SD-CB 3.67Å; M296-P302 HydrophobicContact SD-CG 4.5Å; M296-P302 VanDerWaalsContact SD-N 3.39Å; T300-P302 WeakPolarHBondContact O-CD 3.39Å
303	M	94.9	Very high	93.1	Very high	15 Å²	15	42 Å²	42	7%	0.074	20%	0.203	C	C	.	.			trans	-104	152	169.7	-68.2	-170.8	-69	0	0	111.9	L295 L297 M592 R594	L295-M303 HydrophobicContact CB-CE 3.43Å; L295-M303 VanDerWaalsContact CB-CE 3.43Å; L295-M303 HydrophobicContact CD1-CE 4.26Å; L295-M303 HydrophobicContact CG-CE 4.46Å; L295-M303 PolarHBondContact O-N 2.93Å; L297-M303 HydrophobicContact CD1-SD 4.5Å; L297-M303 HydrophobicContact CD2-CE 4.21Å; L297-M303 HydrophobicContact CD2-SD 4.02Å; L297-M303 HydrophobicContact CG-CG 4.32Å; L297-M303 HydrophobicContact CG-SD 4.02Å; M303-M592 HydrophobicContact SD-CE 3.7Å; M303-M592 HydrophobicContact SD-SD 3.78Å; M303-R594 CarbonylContact C-O 3.55Å; M303-R594 WeakPolarHBondContact CA-O 3.45Å; M303-R594 HydrophobicContact CB-CB 4.13Å; M303-R594 HydrophobicContact CG-CB 4.44Å; M303-R594 HydrophobicContact SD-CB 4.47Å
304	C	96.7	Very high	93.4	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.027	17%	0.168	C	C	.	.			trans	-58.2	138.4	174.3	-176.6	0	0	0	0	111	Q169 L172 A306 R594 F596 E598	Q169-C304 PolarHBondContact OE1-SG 3.24Å; L172-C304 HydrophobicContact CD1-CB 3.79Å; C304-A306 PolarHBondContact SG-N 3.14Å; C304-A306 VanDerWaalsContact SG-N 3.45Å; C304-R594 HydrophobicContact CB-CB 4.36Å; C304-R594 WeakPolarHBondContact CB-O 3.36Å; C304-R594 PolarHBondContact N-O 2.71Å; C304-R594 PolarHBondContact O-NE 2.56Å; C304-R594 PolarHBondContact O-NH2 3.25Å; C304-F596 VanDerWaalsContact CB-O 3.26Å; C304-F596 WeakPolarHBondContact CB-O 3.27Å; C304-E598 PolarHBondContact SG-N 3.44Å
305	S	96.4	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.			trans	-118.5	8.3	-177.7	-59.8	0	0	0	0	112.5	L165 Y166 Q307 F308	L165-S305 PolarHBondContact O-OG 2.96Å; Y166-S305 WeakPolarHBondContact CE1-O 3.23Å; S305-Q307 VanDerWaalsContact C-N 3.26Å; S305-Q307 PolarHBondContact O-N 3.01Å; S305-F308 WeakPolarHBondContact O-CB 3.44Å; S305-F308 WeakPolarHBondContact O-CD2 3.31Å; S305-F308 PolarHBondContact O-N 3.36Å; S305-F308 VanDerWaalsContact O-N 3.1Å
306	A	94.7	Very high	94	Very high	27 Å²	27	32.7 Å²	32.7	22%	0.223	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-56.2	-39.3	-177.2	0	0	0	0	0	112.7	C304 F308 E309 E598	C304-A306 PolarHBondContact SG-N 3.14Å; C304-A306 VanDerWaalsContact SG-N 3.45Å; A306-F308 PolarHBondContact O-N 3.49Å; A306-F308 VanDerWaalsContact O-N 3.15Å; A306-E309 VanDerWaalsContact O-CB 3.31Å; A306-E309 WeakPolarHBondContact O-CB 3.07Å; A306-E309 PolarHBondContact O-N 3.16Å; A306-E309 VanDerWaalsContact O-N 3.11Å; A306-E598 HydrophobicContact CB-CG 3.96Å
307	Q	95.6	Very high	94.4	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.07	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26	-179.9	-60	-173.1	43.9	0	0	113.6	S305 E309 W475 A476 D477 I480 G599 R600	S305-Q307 VanDerWaalsContact C-N 3.26Å; S305-Q307 PolarHBondContact O-N 3.01Å; Q307-E309 PolarHBondContact O-N 3.09Å; Q307-W475 WeakPolarHBondContact O-CZ3 3.37Å; Q307-A476 HydrophobicContact CB-CB 3.97Å; Q307-A476 HydrophobicContact CG-CB 4.49Å; Q307-A476 VanDerWaalsContact OE1-CA 3.24Å; Q307-D477 PolarHBondContact NE2-OD2 3.43Å; Q307-D477 PolarHBondContact OE1-OD2 3.17Å; Q307-I480 HydrophobicContact CB-CD1 3.99Å; Q307-I480 HydrophobicContact CB-CG1 3.72Å; Q307-I480 HydrophobicContact CG-CG1 4.47Å; Q307-G599 PolarHBondContact NE2-O 3.1Å; Q307-R600 VanDerWaalsContact CD-CD 3.5Å
308	F	96.2	Very high	94.8	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-66.4	-23.3	178.3	-72.9	-89.9	0	0	0	113	L165 Y283 L287 L295 S305 A306 R310 L311 I480 H483	L165-F308 HydrophobicContact CD1-CD2 4.32Å; L165-F308 HydrophobicContact CD1-CE2 4.44Å; L165-F308 HydrophobicContact CD2-CB 4.05Å; L165-F308 HydrophobicContact CD2-CG 4.25Å; Y283-F308 VanDerWaalsContact OH-CE1 3.27Å; Y283-F308 WeakPolarHBondContact OH-CE1 3.38Å; L287-F308 HydrophobicContact CD1-CB 3.72Å; L287-F308 HydrophobicContact CD1-CG 4.5Å; L287-F308 WeakPolarHBondContact CD2-O 3.47Å; L295-F308 HydrophobicContact CD1-CZ 4.32Å; S305-F308 WeakPolarHBondContact O-CB 3.44Å; S305-F308 WeakPolarHBondContact O-CD2 3.31Å; S305-F308 PolarHBondContact O-N 3.36Å; S305-F308 VanDerWaalsContact O-N 3.1Å; A306-F308 PolarHBondContact O-N 3.49Å; A306-F308 VanDerWaalsContact O-N 3.15Å; F308-R310 VanDerWaalsContact C-N 3.27Å; F308-R310 PolarHBondContact O-N 3.41Å; F308-L311 PolarHBondContact O-N 3.11Å; F308-I480 HydrophobicContact CD1-CG2 4.06Å; F308-I480 HydrophobicContact CD2-CD1 4.01Å; F308-I480 HydrophobicContact CE1-CG2 4.23Å; F308-I480 HydrophobicContact CE2-CD1 3.63Å; F308-I480 HydrophobicContact CG-CG2 4.3Å; F308-I480 HydrophobicContact CZ-CD1 3.9Å; F308-H483 HydrophobicContact CE1-CB 4.44Å
309	E	92.4	Very high	95.5	Very high	116 Å²	116	25 Å²	25	54%	0.542	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-60	-39.8	-177	-173.7	174.5	167.3	0	0	111.8	A306 Q307 H327	A306-E309 VanDerWaalsContact O-CB 3.31Å; A306-E309 WeakPolarHBondContact O-CB 3.07Å; A306-E309 PolarHBondContact O-N 3.16Å; A306-E309 VanDerWaalsContact O-N 3.11Å; Q307-E309 PolarHBondContact O-N 3.09Å; E309-H327 PolarHBondContact O-CE1 2.98Å
310	R	94.2	Very high	96.1	Very high	87 Å²	87	20.6 Å²	20.6	33%	0.328	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-95	9.6	-173.4	-62	179.7	-174.8	-179.6	-2.7	114.1	E238 F308 F312 T314 W475	E238-R310 IonicContact OE1-CZ 3.6Å; E238-R310 IonicContact OE1-NH1 3.75Å; E238-R310 PolarHBondContact OE1-NH1 3.01Å; E238-R310 IonicContact OE2-CZ 3.79Å; E238-R310 IonicContact OE2-NH1 3Å; E238-R310 PolarHBondContact OE2-NH1 3.41Å; F308-R310 VanDerWaalsContact C-N 3.27Å; F308-R310 PolarHBondContact O-N 3.41Å; R310-F312 VanDerWaalsContact C-N 3.35Å; R310-F312 PolarHBondContact O-N 3.18Å; R310-T314 HydrophobicContact CB-CG2 4.35Å; R310-T314 WeakPolarHBondContact O-CB 3.33Å; R310-T314 PolarHBondContact O-OG1 2.85Å; R310-W475 HydrophobicContact CB-CB 4.07Å; R310-W475 HydrophobicContact CB-CD2 4.46Å; R310-W475 HydrophobicContact CB-CE3 3.97Å
311	L	96.8	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-63	-37.6	-178.2	175.6	62.1	0	0	0	113.2	Y283 L287 F308 S456 F457 W475 L484	Y283-L311 HydrophobicContact CD1-CD2 4.26Å; Y283-L311 HydrophobicContact CE1-CD2 3.58Å; L287-L311 HydrophobicContact CD2-CB 4.3Å; L287-L311 HydrophobicContact CD2-CD2 4.25Å; F308-L311 PolarHBondContact O-N 3.11Å; L311-S456 WeakPolarHBondContact O-CB 3.22Å; L311-S456 PolarHBondContact O-OG 2.87Å; L311-F457 HydrophobicContact CD1-CD1 4.02Å; L311-F457 HydrophobicContact CD1-CE1 4.06Å; L311-F457 HydrophobicContact CG-CE1 4.4Å; L311-F457 WeakPolarHBondContact O-CE1 3.49Å; L311-W475 VanDerWaalsContact CA-CZ3 3.42Å; L311-W475 HydrophobicContact CB-CH2 3.96Å; L311-W475 HydrophobicContact CB-CZ3 3.77Å; L311-W475 HydrophobicContact CD1-CH2 3.28Å; L311-W475 HydrophobicContact CD1-CZ2 3.89Å; L311-W475 HydrophobicContact CD1-CZ3 4.03Å; L311-W475 HydrophobicContact CG-CH2 4.19Å; L311-W475 HydrophobicContact CG-CZ3 4.5Å; L311-L484 HydrophobicContact CD1-CD2 4.02Å; L311-L484 HydrophobicContact CD2-CB 4.24Å; L311-L484 HydrophobicContact CD2-CD2 4.23Å; L311-L484 HydrophobicContact CG-CD2 4.45Å
312	F	97.9	Very high	96.6	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	15%	0.149	C	C	.	.	S	Bend	trans	-118.9	157.7	-178.9	-62.5	-83.9	0	0	0	112	I280 Y283 R284 L287 R310 T314 H327 A415 F416 F457 L484	I280-F312 HydrophobicContact CG2-CE1 3.45Å; I280-F312 VanDerWaalsContact CG2-CE1 3.45Å; I280-F312 HydrophobicContact CG2-CZ 3.92Å; Y283-F312 AromaticContact CD1-CE2 3.83Å; Y283-F312 HydrophobicContact CD1-CE2 3.83Å; Y283-F312 AromaticContact CD1-CZ 3.99Å; Y283-F312 HydrophobicContact CD1-CZ 3.99Å; Y283-F312 HydrophobicContact CE1-CE2 4.26Å; R284-F312 HydrophobicContact CB-CD1 4.27Å; R284-F312 HydrophobicContact CB-CD2 3.99Å; R284-F312 HydrophobicContact CB-CE1 3.99Å; R284-F312 HydrophobicContact CB-CE2 3.7Å; R284-F312 HydrophobicContact CB-CG 4.25Å; R284-F312 HydrophobicContact CB-CZ 3.7Å; R284-F312 HydrophobicContact CG-CB 4.29Å; R284-F312 HydrophobicContact CG-CD1 4.1Å; R284-F312 HydrophobicContact CG-CD2 3.72Å; R284-F312 HydrophobicContact CG-CE1 4.33Å; R284-F312 HydrophobicContact CG-CE2 3.99Å; R284-F312 HydrophobicContact CG-CG 3.77Å; R284-F312 HydrophobicContact CG-CZ 4.29Å; L287-F312 HydrophobicContact CD2-CD2 3.63Å; L287-F312 HydrophobicContact CD2-CE2 3.77Å; R310-F312 VanDerWaalsContact C-N 3.35Å; R310-F312 PolarHBondContact O-N 3.18Å; F312-T314 PolarHBondContact O-N 3.2Å; F312-T314 PolarHBondContact O-OG1 2.8Å; F312-H327 PolarHBondContact O-CE1 2.94Å; F312-H327 PolarHBondContact O-ND1 2.83Å; F312-A415 WeakPolarHBondContact CA-O 3.25Å; F312-F416 HydrophobicContact CD1-CD1 4.11Å; F312-F416 HydrophobicContact CE1-CD1 4.13Å; F312-F457 AromaticContact CD1-CE1 3.88Å; F312-F457 HydrophobicContact CD1-CE1 3.88Å; F312-F457 HydrophobicContact CD1-CZ 4.02Å; F312-F457 AromaticContact CE1-CE1 3.79Å; F312-F457 HydrophobicContact CE1-CE1 3.79Å; F312-F457 AromaticContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CZ-CE1 4.48Å; F312-F457 HydrophobicContact CZ-CZ 4.42Å; F312-L484 HydrophobicContact CZ-CD1 4.15Å; F312-L484 HydrophobicContact CZ-CD2 4.27Å
313	N	96.6	Very high	96.8	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	58.2	27.6	178.7	-22.9	-42.9	0	0	0	112.7	R284 M328 S331 A414 A415	R284-N313 PolarHBondContact NE-OD1 2.96Å; R284-N313 PolarHBondContact NH2-ND2 3.4Å; R284-N313 PolarHBondContact NH2-OD1 3.47Å; N313-M328 HydrophobicContact CB-CB 3.89Å; N313-M328 VanDerWaalsContact CB-O 3.3Å; N313-M328 WeakPolarHBondContact CB-O 3.36Å; N313-M328 PolarHBondContact ND2-O 3.09Å; N313-M328 PolarHBondContact O-N 2.93Å; N313-S331 WeakPolarHBondContact OD1-CB 3.42Å; N313-A414 WeakPolarHBondContact CA-O 3.43Å; N313-A415 PolarHBondContact N-O 2.75Å; N313-A415 WeakPolarHBondContact OD1-CA 3.39Å
314	T	98.2	Very high	96.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.1	-178.2	-54.2	0	0	0	0	109.3	R310 F312 L325 Q326 H327 S456	R310-T314 HydrophobicContact CB-CG2 4.35Å; R310-T314 WeakPolarHBondContact O-CB 3.33Å; R310-T314 PolarHBondContact O-OG1 2.85Å; F312-T314 PolarHBondContact O-N 3.2Å; F312-T314 PolarHBondContact O-OG1 2.8Å; T314-L325 HydrophobicContact CG2-CD2 4.11Å; T314-Q326 VanDerWaalsContact CA-O 3.26Å; T314-Q326 WeakPolarHBondContact CA-O 3.39Å; T314-H327 PolarHBondContact OG1-ND1 3.44Å; T314-S456 PolarHBondContact O-N 2.56Å; T314-S456 VanDerWaalsContact O-N 3.1Å; T314-S456 PolarHBondContact O-OG 2.82Å
315	T	98.5	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.3	174	-52.3	0	0	0	0	108.5	Q326 E412 D454 K455	T315-Q326 PolarHBondContact N-O 2.55Å; T315-Q326 PolarHBondContact O-N 2.99Å; T315-E412 HydrophobicContact CG2-CB 4.38Å; T315-E412 HydrophobicContact CG2-CG 4.12Å; T315-E412 WeakPolarHBondContact OG1-CA 3.38Å; T315-E412 PolarHBondContact OG1-O 3.45Å; T315-D454 CarbonylContact C-O 3.57Å; T315-D454 WeakPolarHBondContact CA-O 3.25Å; T315-D454 HydrophobicContact CG2-CB 3.9Å; T315-K455 PolarHBondContact OG1-NZ 2.89Å
316	R	98.6	Very high	96.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.7	169.4	-178.4	172.4	170	162.2	-0.7	109.3	Y242 L243 D323 T324 L325 D454 E472	Y242-R316 PolarHBondContact O-NH1 2.8Å; Y242-R316 PolarHBondContact O-NH2 3.09Å; L243-R316 HydrophobicContact CD2-CG 4.25Å; R316-D323 HydrophobicContact CG-CB 4.03Å; R316-D323 IonicContact CZ-OD2 3.74Å; R316-D323 VanDerWaalsContact CZ-OD2 3.28Å; R316-D323 IonicContact NE-OD2 2.7Å; R316-D323 PolarHBondContact NE-OD2 3.32Å; R316-D323 IonicContact NH2-OD2 2.76Å; R316-D323 PolarHBondContact NH2-OD2 3.45Å; R316-T324 CarbonylContact C-O 3.56Å; R316-T324 WeakPolarHBondContact CA-O 3.39Å; R316-L325 HydrophobicContact CB-CD2 4.08Å; R316-D454 HydrophobicContact CB-CB 4.43Å; R316-D454 PolarHBondContact N-O 2.89Å; R316-D454 VanDerWaalsContact O-CB 3.23Å; R316-D454 WeakPolarHBondContact O-CB 3.2Å; R316-D454 VanDerWaalsContact O-CG 3.25Å; R316-E472 HydrophobicContact CB-CG 4.25Å; R316-E472 WeakPolarHBondContact CD-OE1 3.4Å; R316-E472 IonicContact NH1-OE1 3.96Å; R316-E472 PolarHBondContact NH1-OE1 3.19Å
317	V	98.3	Very high	96.9	Very high	12 Å²	12	37.1 Å²	37.1	7%	0.073	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125	178.9	179.9	0	0	0	0	108.5	D323 T324 Q326	V317-D323 CarbonylContact O-C 3.36Å; V317-D323 WeakPolarHBondContact O-CA 3.37Å; V317-D323 WeakPolarHBondContact O-CB 3.49Å; V317-T324 PolarHBondContact N-O 3.47Å; V317-T324 PolarHBondContact O-N 3.05Å; V317-Q326 HydrophobicContact CG2-CB 3.8Å
318	P	98.4	Very high	96.7	Very high	10 Å²	10	39 Å²	39	7%	0.065	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-67.1	137.9	179.9	33.8	-42.2	0	0	0	110.9	D323 W391 A392 R395	P318-D323 WeakPolarHBondContact CA-OD1 3.46Å; P318-W391 HydrophobicContact CB-CB 4.29Å; P318-W391 HydrophobicContact CB-CG 3.92Å; P318-W391 VanDerWaalsContact CG-CD1 3.42Å; P318-W391 HydrophobicContact CG-CD2 3.95Å; P318-W391 HydrophobicContact CG-CG 3.74Å; P318-W391 HydrophobicContact CG-CZ2 4.49Å; P318-A392 HydrophobicContact CB-CB 3.97Å; P318-R395 HydrophobicContact CG-CB 4.37Å
319	G	98.1	Very high	96	Very high	18 Å²	18	45 Å²	45	19%	0.186	23%	0.232	C	C	.	.			trans	-122.5	164.8	167.7	0	0	0	0	0	110.7	R246 T322 D323 A392	R246-G319 PolarHBondContact NH1-O 2.87Å; G319-T322 VanDerWaalsContact CA-O 3.3Å; G319-T322 WeakPolarHBondContact CA-O 3.33Å; G319-D323 PolarHBondContact N-OD1 3.07Å; G319-A392 WeakPolarHBondContact O-CB 3.19Å
320	V	97.8	Very high	95.5	Very high	80 Å²	80	42.8 Å²	42.8	49%	0.485	22%	0.222	S	C	.	.	S	Bend	trans	-63.2	-50.2	-177.6	175.2	0	0	0	0	110.4	R246 T389 A392	R246-V320 PolarHBondContact NH1-O 3.23Å; V320-T389 HydrophobicContact CG1-CG2 4.13Å; V320-T389 PolarHBondContact O-OG1 3.34Å; V320-A392 HydrophobicContact CG2-CB 4.34Å
321	E	96.1	Very high	95.4	Very high	158 Å²	158	39.2 Å²	39.2	74%	0.738	21%	0.21	S	C	*	.	S	Bend	trans	-102.6	-37.5	-179.8	-61.5	-177.3	171.7	0	0	113	R246	R246-E321 PolarHBondContact NE-O 3.36Å; R246-E321 VanDerWaalsContact NH1-C 3.25Å; R246-E321 PolarHBondContact NH1-O 2.86Å
322	T	97.1	Very high	95.2	Very high	42 Å²	42	43.2 Å²	43.2	26%	0.258	23%	0.228	S	C	.	.			trans	-141.1	129.2	-175.2	-53.5	0	0	0	0	109.5	E239 L243 R244 G319	E239-T322 HydrophobicContact CG-CG2 4.31Å; L243-T322 HydrophobicContact CB-CG2 4.19Å; R244-T322 HydrophobicContact CG-CG2 3.76Å; R244-T322 WeakPolarHBondContact CG-OG1 3.49Å; G319-T322 VanDerWaalsContact CA-O 3.3Å; G319-T322 WeakPolarHBondContact CA-O 3.33Å
323	D	98.5	Very high	95.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.23	C	C	.	.			trans	-77.1	166.3	173.2	-66.1	4.8	0	0	0	110.5	L243 R246 R316 V317 P318 G319 R388	L243-D323 HydrophobicContact CB-CB 4.34Å; L243-D323 HydrophobicContact CD2-CB 4.08Å; L243-D323 PolarHBondContact O-N 3.17Å; R246-D323 IonicContact CZ-OD1 3.61Å; R246-D323 IonicContact NH1-OD1 3.23Å; R246-D323 PolarHBondContact NH1-OD1 2.9Å; R246-D323 VanDerWaalsContact NH2-CG 3.3Å; R246-D323 IonicContact NH2-OD1 3.94Å; R246-D323 PolarHBondContact NH2-OD1 2.57Å; R246-D323 IonicContact NH2-OD2 2.78Å; R316-D323 HydrophobicContact CG-CB 4.03Å; R316-D323 IonicContact CZ-OD2 3.74Å; R316-D323 VanDerWaalsContact CZ-OD2 3.28Å; R316-D323 IonicContact NE-OD2 2.7Å; R316-D323 PolarHBondContact NE-OD2 3.32Å; R316-D323 IonicContact NH2-OD2 2.76Å; R316-D323 PolarHBondContact NH2-OD2 3.45Å; V317-D323 CarbonylContact O-C 3.36Å; V317-D323 WeakPolarHBondContact O-CA 3.37Å; V317-D323 WeakPolarHBondContact O-CB 3.49Å; P318-D323 WeakPolarHBondContact CA-OD1 3.46Å; G319-D323 PolarHBondContact N-OD1 3.07Å; D323-R388 IonicContact OD2-CZ 3.05Å; D323-R388 IonicContact OD2-NE 3.3Å; D323-R388 PolarHBondContact OD2-NE 3.2Å; D323-R388 IonicContact OD2-NH2 2.57Å; D323-R388 PolarHBondContact OD2-NH2 3.5Å; D323-R388 VanDerWaalsContact OD2-NH2 3.16Å
324	T	97.4	Very high	95.3	Very high	81 Å²	81	43.4 Å²	43.4	50%	0.497	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.8	176.8	59.1	0	0	0	0	111.3	R316 V317 Q326	R316-T324 CarbonylContact C-O 3.56Å; R316-T324 WeakPolarHBondContact CA-O 3.39Å; V317-T324 PolarHBondContact N-O 3.47Å; V317-T324 PolarHBondContact O-N 3.05Å; T324-Q326 PolarHBondContact O-N 2.84Å
325	L	96.4	Very high	95.3	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	110.3	169.8	-76.7	176.8	0	0	0	109.8	E238 L243 T314 R316 S474 W475	E238-L325 HydrophobicContact CG-CD1 4.29Å; L243-L325 HydrophobicContact CD2-CG 4.24Å; T314-L325 HydrophobicContact CG2-CD2 4.11Å; R316-L325 HydrophobicContact CB-CD2 4.08Å; L325-S474 VanDerWaalsContact CD2-OG 3.23Å; L325-S474 WeakPolarHBondContact CD2-OG 3.49Å; L325-W475 HydrophobicContact CD1-CB 3.76Å; L325-W475 HydrophobicContact CD2-CB 4.34Å
326	Q	95.9	Very high	95.3	Very high	59 Å²	59	43.5 Å²	43.5	28%	0.276	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.4	171.3	-175.6	-176.5	92.2	0	0	109.3	T314 T315 V317 T324 M328	T314-Q326 VanDerWaalsContact CA-O 3.26Å; T314-Q326 WeakPolarHBondContact CA-O 3.39Å; T315-Q326 PolarHBondContact N-O 2.55Å; T315-Q326 PolarHBondContact O-N 2.99Å; V317-Q326 HydrophobicContact CG2-CB 3.8Å; T324-Q326 PolarHBondContact O-N 2.84Å; Q326-M328 HydrophobicContact CG-SD 4.24Å
327	H	95.3	Very high	95.3	Very high	56 Å²	56	43.9 Å²	43.9	26%	0.259	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.7	173.5	-178.8	70.5	0	0	0	111.2	E309 F312 T314	E309-H327 PolarHBondContact O-CE1 2.98Å; F312-H327 PolarHBondContact O-CE1 2.94Å; F312-H327 PolarHBondContact O-ND1 2.83Å; T314-H327 PolarHBondContact OG1-ND1 3.44Å
328	M	91.8	Very high	95.3	Very high	54 Å²	54	43.8 Å²	43.8	27%	0.266	23%	0.229	S	C	.	.			trans	-101.9	130.3	180	-57.4	-65.4	-69	0	0	111.8	N313 Q326 E330 K413	N313-M328 HydrophobicContact CB-CB 3.89Å; N313-M328 VanDerWaalsContact CB-O 3.3Å; N313-M328 WeakPolarHBondContact CB-O 3.36Å; N313-M328 PolarHBondContact ND2-O 3.09Å; N313-M328 PolarHBondContact O-N 2.93Å; Q326-M328 HydrophobicContact CG-SD 4.24Å; M328-E330 VanDerWaalsContact C-N 3.27Å; M328-E330 PolarHBondContact O-N 3.46Å; M328-K413 HydrophobicContact CE-CD 3.94Å; M328-K413 HydrophobicContact CE-CG 3.96Å; M328-K413 HydrophobicContact CG-CB 4.33Å; M328-K413 HydrophobicContact CG-CG 4.09Å; M328-K413 HydrophobicContact SD-CG 4.24Å
329	N	81.1	Confident	95.2	Very high	127 Å²	127	48.7 Å²	48.7	68%	0.679	25%	0.25	S	C	*	.	S	Bend	trans	-62.2	-31	-179.2	-70.3	-28.5	0	0	0	114.3	R45	R45-N329 PolarHBondContact NH1-O 3.17Å; R45-N329 PolarHBondContact NH2-O 2.99Å
330	E	82.4	Confident	95.1	Very high	71 Å²	71	47.8 Å²	47.8	33%	0.332	24%	0.241	S	C	.	.			trans	-143.8	132	-178.6	-64.9	-172.7	177.3	0	0	110.9	R42 M328	R42-E330 IonicContact NE-OE1 3.77Å; M328-E330 VanDerWaalsContact C-N 3.27Å; M328-E330 PolarHBondContact O-N 3.46Å
331	S	91.4	Very high	95.1	Very high	11 Å²	11	44.6 Å²	44.6	8%	0.077	22%	0.22	C	C	.	.			trans	-141.5	140	168.6	-178.7	0	0	0	0	109.6	R284 N313 H333 K413 A415	R284-S331 VanDerWaalsContact CZ-O 3.3Å; R284-S331 PolarHBondContact NH1-O 2.95Å; R284-S331 PolarHBondContact NH2-O 3.37Å; N313-S331 WeakPolarHBondContact OD1-CB 3.42Å; S331-H333 PolarHBondContact OG-O 2.79Å; S331-K413 WeakPolarHBondContact CB-O 3.39Å; S331-K413 PolarHBondContact OG-O 3.47Å; S331-A415 PolarHBondContact OG-N 3.44Å
332	K	93	Very high	95.2	Very high	85 Å²	85	37.1 Å²	37.1	37%	0.37	19%	0.185	S	C	.	.			trans	-117.5	6.8	-176.8	-61.1	-176.9	-179	-178	0	112.9	S34 W346 M347 F348	S34-K332 PolarHBondContact OG-NZ 2.74Å; K332-W346 HydrophobicContact CB-CE3 3.96Å; K332-W346 HydrophobicContact CB-CZ3 3.89Å; K332-M347 PolarHBondContact O-N 3.02Å; K332-F348 HydrophobicContact CB-CD2 3.97Å; K332-F348 HydrophobicContact CB-CE2 4.37Å; K332-F348 HydrophobicContact CG-CD2 4.38Å
333	H	98.1	Very high	95.3	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.06	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	162.8	-176.5	68.2	-84.3	0	0	0	111.3	S331 K344 V345 W346 A410 A415	S331-H333 PolarHBondContact OG-O 2.79Å; H333-K344 HydrophobicContact CB-CG 4.01Å; H333-K344 VanDerWaalsContact CG-CE 3.43Å; H333-V345 CarbonylContact C-O 3.53Å; H333-V345 WeakPolarHBondContact CA-O 3.3Å; H333-V345 WeakPolarHBondContact CB-O 3.4Å; H333-W346 HydrophobicContact CB-CD2 4.29Å; H333-W346 HydrophobicContact CB-CE3 3.88Å; H333-W346 HydrophobicContact CB-CZ3 4.34Å; H333-A410 PolarHBondContact NE2-O 2.84Å; H333-A415 WeakPolarHBondContact O-CB 3.43Å; H333-A415 PolarHBondContact O-N 3.19Å
334	I	98.8	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	162.4	164.5	60.9	174.5	0	0	0	109.1	V277 V336 V345 M347 M363 A415 F416 V418	V277-I334 HydrophobicContact CG1-CD1 4Å; V277-I334 HydrophobicContact CG2-CD1 4.38Å; I334-V336 HydrophobicContact CD1-CG2 3.85Å; I334-V336 HydrophobicContact CG1-CG2 4.05Å; I334-V345 HydrophobicContact CD1-CB 4.31Å; I334-V345 HydrophobicContact CG1-CB 3.8Å; I334-V345 PolarHBondContact N-O 3.23Å; I334-V345 PolarHBondContact O-N 2.9Å; I334-M347 HydrophobicContact CD1-SD 3.76Å; I334-M347 HydrophobicContact CG1-CG 4.39Å; I334-M347 HydrophobicContact CG1-SD 3.74Å; I334-M347 HydrophobicContact CG2-CG 3.96Å; I334-M347 HydrophobicContact CG2-SD 4.17Å; I334-M363 HydrophobicContact CD1-CE 4.05Å; I334-A415 HydrophobicContact CG2-CB 4.33Å; I334-F416 HydrophobicContact CG2-CD1 3.91Å; I334-F416 HydrophobicContact CG2-CD2 4.4Å; I334-F416 HydrophobicContact CG2-CE1 3.56Å; I334-F416 HydrophobicContact CG2-CE2 4.11Å; I334-F416 HydrophobicContact CG2-CG 4.32Å; I334-F416 HydrophobicContact CG2-CZ 3.69Å; I334-V418 HydrophobicContact CD1-CG2 3.88Å
335	A	98.8	Very high	95.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.4	167.6	0	0	0	0	0	108.4	F343 I411 A414 F416 F417 V418	A335-F343 CarbonylContact C-O 3.58Å; A335-F343 WeakPolarHBondContact CA-O 3.48Å; A335-I411 HydrophobicContact CB-CB 4.45Å; A335-I411 HydrophobicContact CB-CG1 4.17Å; A335-A414 HydrophobicContact CB-CB 3.81Å; A335-F416 PolarHBondContact N-O 3.48Å; A335-F417 HydrophobicContact CB-CD2 3.73Å; A335-F417 HydrophobicContact CB-CE2 4.06Å; A335-F417 CarbonylContact O-C 3.56Å; A335-F417 WeakPolarHBondContact O-CA 3.09Å; A335-V418 PolarHBondContact O-N 3.29Å
336	V	98.9	Very high	95.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.5	-177.9	-173.4	0	0	0	0	109.1	I334 F342 F343 V345 M363 I366 V418 L420	I334-V336 HydrophobicContact CD1-CG2 3.85Å; I334-V336 HydrophobicContact CG1-CG2 4.05Å; V336-F342 CarbonylContact O-C 3.52Å; V336-F342 WeakPolarHBondContact O-CA 3.39Å; V336-F343 HydrophobicContact CB-CB 4.39Å; V336-F343 PolarHBondContact N-O 3.35Å; V336-F343 PolarHBondContact O-N 3.04Å; V336-V345 HydrophobicContact CB-CG2 4.39Å; V336-V345 HydrophobicContact CG2-CB 4.33Å; V336-V345 HydrophobicContact CG2-CG2 3.56Å; V336-M363 HydrophobicContact CG1-SD 4.29Å; V336-M363 HydrophobicContact CG2-CE 4.24Å; V336-M363 HydrophobicContact CG2-SD 4.32Å; V336-I366 HydrophobicContact CB-CD1 3.85Å; V336-I366 HydrophobicContact CG1-CD1 3.76Å; V336-I366 HydrophobicContact CG1-CG2 4.46Å; V336-I366 HydrophobicContact CG2-CD1 4.13Å; V336-V418 CarbonylContact C-O 3.52Å; V336-V418 VanDerWaalsContact CA-O 3.27Å; V336-V418 WeakPolarHBondContact CA-O 3.24Å; V336-V418 HydrophobicContact CG1-CB 4.35Å; V336-V418 HydrophobicContact CG1-CG1 4.44Å; V336-V418 HydrophobicContact CG2-CB 4.16Å; V336-L420 HydrophobicContact CG1-CD1 3.86Å; V336-L420 HydrophobicContact CG1-CG 3.9Å
337	Y	98.6	Very high	95.4	Very high	11 Å²	11	31.3 Å²	31.3	4%	0.043	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.7	172.2	174.1	-89.1	0	0	0	110.6	G340 R341 F342 E378 V418 L420 D450	Y337-G340 VanDerWaalsContact CZ-N 3.3Å; Y337-G340 WeakPolarHBondContact OH-CA 3.38Å; Y337-G340 PolarHBondContact OH-N 3.22Å; Y337-G340 VanDerWaalsContact OH-N 3.11Å; Y337-R341 VanDerWaalsContact CA-O 3.31Å; Y337-R341 WeakPolarHBondContact CA-O 3.32Å; Y337-F342 HydrophobicContact CD2-CD1 4.06Å; Y337-F342 HydrophobicContact CD2-CD2 4.37Å; Y337-F342 AromaticContact CD2-CE1 3.67Å; Y337-F342 HydrophobicContact CD2-CE1 3.67Å; Y337-F342 AromaticContact CD2-CE2 3.98Å; Y337-F342 HydrophobicContact CD2-CE2 3.98Å; Y337-F342 HydrophobicContact CD2-CG 4.39Å; Y337-F342 AromaticContact CD2-CZ 3.62Å; Y337-F342 HydrophobicContact CD2-CZ 3.62Å; Y337-F342 HydrophobicContact CE2-CE1 4.41Å; Y337-F342 HydrophobicContact CE2-CE2 4.11Å; Y337-F342 AromaticContact CE2-CZ 3.9Å; Y337-F342 HydrophobicContact CE2-CZ 3.9Å; Y337-E378 PolarHBondContact OH-O 3.11Å; Y337-V418 PolarHBondContact N-O 3.37Å; Y337-L420 PolarHBondContact O-N 3.3Å; Y337-D450 HydrophobicContact CD1-CB 4.13Å; Y337-D450 HydrophobicContact CE1-CB 3.49Å; Y337-D450 VanDerWaalsContact CE1-CB 3.49Å
338	H	98.3	Very high	95.3	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.046	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	128.9	168.2	-175.5	56.6	0	0	0	110.4	G340 R341 I366 L367 L420	H338-G340 VanDerWaalsContact C-N 3.33Å; H338-G340 PolarHBondContact O-N 3.08Å; H338-R341 PolarHBondContact N-O 3.36Å; H338-R341 WeakPolarHBondContact O-CB 3.48Å; H338-R341 PolarHBondContact O-N 2.84Å; H338-I366 HydrophobicContact CB-CG2 3.71Å; H338-L367 VanDerWaalsContact CE1-CD2 3.46Å; H338-L367 WeakPolarHBondContact CE1-CD2 3.26Å; H338-L420 HydrophobicContact CB-CB 4.12Å; H338-L420 PolarHBondContact ND1-O 3.12Å
339	K	95.8	Very high	95.2	Very high	112 Å²	112	32.3 Å²	32.3	49%	0.487	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.3	58.4	176.1	-72.3	-176.2	173.5	-176.9	0	113.4	R341 D422	K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 3.34Å; K339-R341 PolarHBondContact O-NE 3.37Å; K339-D422 HydrophobicContact CG-CB 4.09Å
340	G	95.7	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	8.4	175.5	0	0	0	0	0	117	Y337 H338 P373 E377 E378	Y337-G340 VanDerWaalsContact CZ-N 3.3Å; Y337-G340 WeakPolarHBondContact OH-CA 3.38Å; Y337-G340 PolarHBondContact OH-N 3.22Å; Y337-G340 VanDerWaalsContact OH-N 3.11Å; H338-G340 VanDerWaalsContact C-N 3.33Å; H338-G340 PolarHBondContact O-N 3.08Å; G340-P373 WeakPolarHBondContact O-CB 3.19Å; G340-E377 WeakPolarHBondContact O-CG 3.13Å; G340-E378 VanDerWaalsContact CA-CA 3.47Å
341	R	97.2	Very high	95.3	Very high	12 Å²	12	26.5 Å²	26.5	5%	0.045	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.9	-172.9	-63.5	168	-74.4	151.4	-6.6	110.9	Y337 H338 K339 F343 D369 S371 P373	Y337-R341 VanDerWaalsContact CA-O 3.31Å; Y337-R341 WeakPolarHBondContact CA-O 3.32Å; H338-R341 PolarHBondContact N-O 3.36Å; H338-R341 WeakPolarHBondContact O-CB 3.48Å; H338-R341 PolarHBondContact O-N 2.84Å; K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 3.34Å; K339-R341 PolarHBondContact O-NE 3.37Å; R341-F343 HydrophobicContact CB-CD2 4.48Å; R341-F343 HydrophobicContact CB-CE2 3.54Å; R341-F343 HydrophobicContact CB-CZ 3.94Å; R341-D369 VanDerWaalsContact CZ-O 3.29Å; R341-D369 VanDerWaalsContact NH1-CB 3.27Å; R341-D369 VanDerWaalsContact NH1-CG 3.26Å; R341-D369 PolarHBondContact NH1-O 3.39Å; R341-D369 IonicContact NH1-OD1 3.37Å; R341-D369 PolarHBondContact NH1-OD1 2.89Å; R341-D369 PolarHBondContact NH2-O 3.1Å; R341-D369 VanDerWaalsContact NH2-O 3.09Å; R341-S371 WeakPolarHBondContact CD-O 3.4Å; R341-P373 HydrophobicContact CG-CB 4.12Å
342	F	98.6	Very high	95.2	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.2	-179.3	-58.9	-99.1	0	0	0	110.8	V336 Y337 E377 L380 A381 I411 F417 W452 R516 L517 W519	V336-F342 CarbonylContact O-C 3.52Å; V336-F342 WeakPolarHBondContact O-CA 3.39Å; Y337-F342 HydrophobicContact CD2-CD1 4.06Å; Y337-F342 HydrophobicContact CD2-CD2 4.37Å; Y337-F342 AromaticContact CD2-CE1 3.67Å; Y337-F342 HydrophobicContact CD2-CE1 3.67Å; Y337-F342 AromaticContact CD2-CE2 3.98Å; Y337-F342 HydrophobicContact CD2-CE2 3.98Å; Y337-F342 HydrophobicContact CD2-CG 4.39Å; Y337-F342 AromaticContact CD2-CZ 3.62Å; Y337-F342 HydrophobicContact CD2-CZ 3.62Å; Y337-F342 HydrophobicContact CE2-CE1 4.41Å; Y337-F342 HydrophobicContact CE2-CE2 4.11Å; Y337-F342 AromaticContact CE2-CZ 3.9Å; Y337-F342 HydrophobicContact CE2-CZ 3.9Å; F342-E377 HydrophobicContact CD2-CG 4.21Å; F342-E377 HydrophobicContact CE2-CG 4.25Å; F342-L380 HydrophobicContact CE2-CB 4.09Å; F342-L380 HydrophobicContact CE2-CD2 4.1Å; F342-L380 HydrophobicContact CZ-CB 4.28Å; F342-L380 HydrophobicContact CZ-CD2 4.49Å; F342-A381 HydrophobicContact CE1-CB 4.48Å; F342-A381 HydrophobicContact CZ-CB 4.19Å; F342-I411 HydrophobicContact CD1-CD1 3.62Å; F342-I411 HydrophobicContact CE1-CD1 4.08Å; F342-I411 HydrophobicContact CG-CD1 4.23Å; F342-F417 HydrophobicContact CD1-CE2 4.19Å; F342-F417 HydrophobicContact CD1-CZ 4.08Å; F342-F417 HydrophobicContact CE1-CE2 4.29Å; F342-F417 AromaticContact CE1-CZ 3.93Å; F342-F417 HydrophobicContact CE1-CZ 3.93Å; F342-W452 HydrophobicContact CE1-CE3 4.16Å; F342-W452 HydrophobicContact CE1-CZ3 4.2Å; F342-R516 VanDerWaalsContact N-NH1 3.15Å; F342-R516 PolarHBondContact O-NH1 3.25Å; F342-L517 HydrophobicContact CB-CB 4.05Å; F342-L517 HydrophobicContact CB-CD1 3.76Å; F342-L517 HydrophobicContact CB-CG 4.1Å; F342-L517 WeakPolarHBondContact O-CB 3.46Å; F342-L517 PolarHBondContact O-N 3.16Å; F342-W519 HydrophobicContact CB-CZ2 4.45Å; F342-W519 HydrophobicContact CD2-CZ2 4.25Å; F342-W519 AromaticContact CD2-NE1 3.86Å; F342-W519 HydrophobicContact CG-CZ2 4.28Å
343	F	98.8	Very high	95.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.7	-178	-58.4	-96.1	0	0	0	110.5	A335 V336 R341 I366 D369 P514 Q515 R516	A335-F343 CarbonylContact C-O 3.58Å; A335-F343 WeakPolarHBondContact CA-O 3.48Å; V336-F343 HydrophobicContact CB-CB 4.39Å; V336-F343 PolarHBondContact N-O 3.35Å; V336-F343 PolarHBondContact O-N 3.04Å; R341-F343 HydrophobicContact CB-CD2 4.48Å; R341-F343 HydrophobicContact CB-CE2 3.54Å; R341-F343 HydrophobicContact CB-CZ 3.94Å; F343-I366 HydrophobicContact CB-CD1 3.94Å; F343-I366 HydrophobicContact CB-CG1 4.37Å; F343-I366 HydrophobicContact CD1-CG1 4.14Å; F343-I366 HydrophobicContact CD2-CD1 4.32Å; F343-I366 HydrophobicContact CD2-CG1 4.21Å; F343-I366 HydrophobicContact CD2-CG2 3.75Å; F343-I366 HydrophobicContact CE1-CG1 4.48Å; F343-I366 HydrophobicContact CE2-CG2 3.64Å; F343-I366 HydrophobicContact CG-CD1 4.06Å; F343-I366 HydrophobicContact CG-CG1 3.99Å; F343-I366 HydrophobicContact CG-CG2 4.38Å; F343-I366 HydrophobicContact CZ-CG2 4.18Å; F343-D369 WeakPolarHBondContact CE1-OD2 3.41Å; F343-D369 HydrophobicContact CZ-CB 4.3Å; F343-P514 HydrophobicContact CB-CB 4.33Å; F343-P514 HydrophobicContact CD1-CB 4.19Å; F343-P514 HydrophobicContact CD1-CG 4.37Å; F343-Q515 CarbonylContact C-O 3.54Å; F343-Q515 WeakPolarHBondContact CA-O 3.14Å; F343-R516 HydrophobicContact CD1-CB 4.26Å; F343-R516 HydrophobicContact CE1-CB 4.19Å; F343-R516 HydrophobicContact CE1-CG 4.37Å
344	K	98.6	Very high	95.3	Very high	17 Å²	17	26.2 Å²	26.2	7%	0.074	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.9	166.6	173.4	179.8	-177.6	-177.3	0	109.1	H333 W346 A410 Q515 L517	H333-K344 HydrophobicContact CB-CG 4.01Å; H333-K344 VanDerWaalsContact CG-CE 3.43Å; K344-W346 VanDerWaalsContact CE-CZ2 3.45Å; K344-A410 HydrophobicContact CD-CB 4.25Å; K344-Q515 HydrophobicContact CB-CB 4.27Å; K344-Q515 PolarHBondContact N-O 3.15Å; K344-Q515 PolarHBondContact O-N 3.49Å; K344-L517 HydrophobicContact CB-CD2 3.93Å
345	V	98.6	Very high	95.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.8	178.8	-174.8	0	0	0	0	109.4	H333 I334 V336 M347 Q362 M363 I366 P514	H333-V345 CarbonylContact C-O 3.53Å; H333-V345 WeakPolarHBondContact CA-O 3.3Å; H333-V345 WeakPolarHBondContact CB-O 3.4Å; I334-V345 HydrophobicContact CD1-CB 4.31Å; I334-V345 HydrophobicContact CG1-CB 3.8Å; I334-V345 PolarHBondContact N-O 3.23Å; I334-V345 PolarHBondContact O-N 2.9Å; V336-V345 HydrophobicContact CB-CG2 4.39Å; V336-V345 HydrophobicContact CG2-CB 4.33Å; V336-V345 HydrophobicContact CG2-CG2 3.56Å; V345-M347 HydrophobicContact CG1-SD 4.28Å; V345-Q362 HydrophobicContact CG1-CB 3.98Å; V345-Q362 HydrophobicContact CG1-CG 4.03Å; V345-M363 HydrophobicContact CG1-CE 4.39Å; V345-I366 HydrophobicContact CG2-CD1 3.78Å; V345-P514 HydrophobicContact CG2-CB 4Å
346	W	97.3	Very high	95.2	Very high	74 Å²	74	31 Å²	31	28%	0.28	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.5	174.1	-67.5	107	0	0	0	110.1	K332 H333 K344 L354	K332-W346 HydrophobicContact CB-CE3 3.96Å; K332-W346 HydrophobicContact CB-CZ3 3.89Å; H333-W346 HydrophobicContact CB-CD2 4.29Å; H333-W346 HydrophobicContact CB-CE3 3.88Å; H333-W346 HydrophobicContact CB-CZ3 4.34Å; K344-W346 VanDerWaalsContact CE-CZ2 3.45Å; W346-L354 VanDerWaalsContact O-CD1 3.23Å; W346-L354 WeakPolarHBondContact O-CD1 3.44Å
347	M	97.1	Very high	95.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.			trans	-95.1	1.6	-177.6	-61.3	-49.7	-54.1	0	0	113.3	V277 M281 K332 I334 V345 L353 L354 I359	V277-M347 HydrophobicContact CG1-CE 3.37Å; V277-M347 HydrophobicContact CG1-SD 4.09Å; M281-M347 HydrophobicContact CE-CB 3.63Å; M281-M347 HydrophobicContact CE-CG 3.98Å; M281-M347 HydrophobicContact CG-CE 4.25Å; M281-M347 HydrophobicContact CG-CG 4.49Å; M281-M347 HydrophobicContact SD-CG 4.26Å; K332-M347 PolarHBondContact O-N 3.02Å; I334-M347 HydrophobicContact CD1-SD 3.76Å; I334-M347 HydrophobicContact CG1-CG 4.39Å; I334-M347 HydrophobicContact CG1-SD 3.74Å; I334-M347 HydrophobicContact CG2-CG 3.96Å; I334-M347 HydrophobicContact CG2-SD 4.17Å; V345-M347 HydrophobicContact CG1-SD 4.28Å; M347-L353 HydrophobicContact CB-CD1 4.29Å; M347-L353 WeakPolarHBondContact O-CA 3.44Å; M347-L353 WeakPolarHBondContact O-CD1 3.39Å; M347-L354 PolarHBondContact O-N 3.32Å; M347-I359 HydrophobicContact CE-CD1 3.56Å; M347-I359 HydrophobicContact CE-CG1 3.72Å; M347-I359 HydrophobicContact CE-CG2 4.4Å
348	F	92.9	Very high	95.1	Very high	87 Å²	87	32.1 Å²	32.1	38%	0.382	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.5	-178	-62.4	-95	0	0	0	110.5	M281 K332 R352 L353	M281-F348 HydrophobicContact CE-CE2 3.76Å; M281-F348 HydrophobicContact CE-CZ 4Å; K332-F348 HydrophobicContact CB-CD2 3.97Å; K332-F348 HydrophobicContact CB-CE2 4.37Å; K332-F348 HydrophobicContact CG-CD2 4.38Å; F348-R352 CarbonylContact C-O 3.34Å; F348-R352 WeakPolarHBondContact CA-O 2.93Å; F348-L353 HydrophobicContact CE1-CB 4.31Å; F348-L353 HydrophobicContact CE1-CD1 4.24Å; F348-L353 HydrophobicContact CZ-CD1 4.17Å
349	Y	89.5	Confident	95.2	Very high	44 Å²	44	31.7 Å²	31.7	17%	0.173	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.5	174.4	-175.4	-99.9	0	0	0	108.4	G351 R352 H508 L511 P512	Y349-G351 PolarHBondContact O-N 2.93Å; Y349-R352 PolarHBondContact N-O 3.13Å; Y349-R352 WeakPolarHBondContact O-CG 3.37Å; Y349-R352 PolarHBondContact O-N 3.09Å; Y349-R352 VanDerWaalsContact O-O 3.11Å; Y349-H508 AromaticContact CE1-CE1 3.53Å; Y349-H508 AromaticContact CE1-NE2 3.64Å; Y349-L511 HydrophobicContact CD1-CD1 4Å; Y349-L511 HydrophobicContact CD2-CD1 3.77Å; Y349-L511 HydrophobicContact CE2-CD1 4.41Å; Y349-L511 HydrophobicContact CG-CD1 3.53Å; Y349-P512 VanDerWaalsContact CE2-CD 3.48Å; Y349-P512 HydrophobicContact CE2-CG 4.17Å
350	D	83.6	Confident	95.3	Very high	59 Å²	59	26.3 Å²	26.3	32%	0.316	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.5	-174.1	-158.6	29.3	0	0	0	114.4	Q30 L33 R352	Q30-D350 PolarHBondContact NE2-OD1 3.29Å; L33-D350 WeakPolarHBondContact CD1-OD1 3.2Å; D350-R352 PolarHBondContact O-N 3.31Å
351	G	81.8	Confident	95.4	Very high	17 Å²	17	27.4 Å²	27.4	18%	0.175	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-5	-176.7	0	0	0	0	0	115.4	H37 Y349	H37-G351 PolarHBondContact CE1-O 3.39Å; H37-G351 PolarHBondContact ND1-O 3.02Å; Y349-G351 PolarHBondContact O-N 2.93Å
352	R	90.3	Very high	95.5	Very high	78 Å²	78	27.1 Å²	27.1	29%	0.294	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	161.3	-179.6	62.6	169.2	179.7	79.8	-1.3	112	F348 Y349 D350 E358	F348-R352 CarbonylContact C-O 3.34Å; F348-R352 WeakPolarHBondContact CA-O 2.93Å; Y349-R352 PolarHBondContact N-O 3.13Å; Y349-R352 WeakPolarHBondContact O-CG 3.37Å; Y349-R352 PolarHBondContact O-N 3.09Å; Y349-R352 VanDerWaalsContact O-O 3.11Å; D350-R352 PolarHBondContact O-N 3.31Å; R352-E358 IonicContact CZ-OE1 2.64Å; R352-E358 IonicContact CZ-OE2 3.37Å; R352-E358 IonicContact NH1-OE1 3.82Å; R352-E358 IonicContact NH1-OE2 3.53Å; R352-E358 PolarHBondContact NH1-OE2 3.01Å; R352-E358 IonicContact NH2-OE1 3.54Å; R352-E358 PolarHBondContact NH2-OE1 3.29Å; R352-E358 IonicContact NH2-OE2 2.68Å; R352-E358 PolarHBondContact NH2-OE2 3.03Å
353	L	94.6	Very high	95.5	Very high	22 Å²	22	27 Å²	27	12%	0.115	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	141.6	167.5	-177.1	70.9	0	0	0	108.6	M281 L282 M347 F348	M281-L353 HydrophobicContact CB-CD1 3.64Å; M281-L353 HydrophobicContact CB-CD2 3.9Å; M281-L353 HydrophobicContact CB-CG 4.4Å; M281-L353 HydrophobicContact CE-CD1 3.77Å; M281-L353 HydrophobicContact CG-CD1 4.09Å; L282-L353 HydrophobicContact CD2-CD2 4.05Å; L282-L353 HydrophobicContact CG-CD2 4.45Å; M347-L353 HydrophobicContact CB-CD1 4.29Å; M347-L353 WeakPolarHBondContact O-CA 3.44Å; M347-L353 WeakPolarHBondContact O-CD1 3.39Å; F348-L353 HydrophobicContact CE1-CB 4.31Å; F348-L353 HydrophobicContact CE1-CD1 4.24Å; F348-L353 HydrophobicContact CZ-CD1 4.17Å
354	L	97	Very high	95.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-59.7	139.9	171.5	-65.4	-174.6	0	0	0	111.2	H278 W346 M347 E358 I359 Q362 L511	H278-L354 PolarHBondContact CE1-O 3.4Å; H278-L354 VanDerWaalsContact CE1-O 3.26Å; H278-L354 PolarHBondContact ND1-O 3.04Å; W346-L354 VanDerWaalsContact O-CD1 3.23Å; W346-L354 WeakPolarHBondContact O-CD1 3.44Å; M347-L354 PolarHBondContact O-N 3.32Å; L354-E358 WeakPolarHBondContact CA-OE2 3.44Å; L354-E358 HydrophobicContact CB-CB 4.33Å; L354-E358 HydrophobicContact CD2-CB 4.4Å; L354-I359 HydrophobicContact CB-CD1 4.12Å; L354-I359 HydrophobicContact CB-CG1 3.55Å; L354-I359 HydrophobicContact CD1-CG1 4.21Å; L354-Q362 HydrophobicContact CD1-CG 4.43Å; L354-L511 HydrophobicContact CD2-CD1 3.74Å; L354-L511 HydrophobicContact CD2-CD2 4.27Å
355	L	97.6	Very high	95.5	Very high	88 Å²	88	32.3 Å²	32.3	46%	0.461	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-77.3	159.4	173.4	-63.7	175.4	0	0	0	110.4	R357 E358 I359	L355-R357 PolarHBondContact O-N 3.03Å; L355-E358 HydrophobicContact CB-CG 4.26Å; L355-E358 PolarHBondContact N-OE2 3.02Å; L355-E358 WeakPolarHBondContact O-CB 3.47Å; L355-E358 PolarHBondContact O-N 3.18Å; L355-I359 WeakPolarHBondContact O-CG1 3.36Å; L355-I359 PolarHBondContact O-N 2.99Å
356	P	98.4	Very high	95.5	Very high	14 Å²	14	32.3 Å²	32.3	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-55.1	-44.1	-176.6	-27.2	34.6	0	0	0	115.1	N275 H278 E358 I359 E360 L495 C503	N275-P356 WeakPolarHBondContact OD1-CB 3.49Å; N275-P356 WeakPolarHBondContact OD1-CG 3.49Å; H278-P356 HydrophobicContact CB-CG 3.96Å; P356-E358 VanDerWaalsContact C-N 3.29Å; P356-E358 PolarHBondContact O-N 3.13Å; P356-I359 PolarHBondContact O-N 2.92Å; P356-E360 WeakPolarHBondContact O-CB 3.05Å; P356-E360 PolarHBondContact O-N 2.99Å; P356-L495 HydrophobicContact CG-CD1 4.36Å; P356-L495 HydrophobicContact CG-CD2 4.46Å; P356-C503 HydrophobicContact CB-CB 3.85Å
357	R	98.1	Very high	95.6	Very high	32 Å²	32	31.3 Å²	31.3	12%	0.121	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-29.9	177.3	-174	60.3	-176	134.7	5.6	113.4	L355 E360 Q361 E364 H502 C503 P507	L355-R357 PolarHBondContact O-N 3.03Å; R357-E360 WeakPolarHBondContact CD-OE2 3.22Å; R357-E360 IonicContact CZ-OE2 3.68Å; R357-E360 IonicContact NE-OE2 3.97Å; R357-E360 VanDerWaalsContact NH1-CG 3.27Å; R357-E360 IonicContact NH1-OE1 3.72Å; R357-E360 PolarHBondContact NH1-OE1 2.99Å; R357-E360 VanDerWaalsContact NH1-OE1 3.14Å; R357-E360 IonicContact NH1-OE2 3.97Å; R357-E360 PolarHBondContact NH1-OE2 2.76Å; R357-Q361 WeakPolarHBondContact O-CB 3.36Å; R357-Q361 PolarHBondContact O-N 3.49Å; R357-E364 IonicContact CZ-OE1 3.68Å; R357-E364 IonicContact NH1-OE1 3.16Å; R357-E364 PolarHBondContact NH1-OE1 2.92Å; R357-E364 IonicContact NH1-OE2 3.54Å; R357-E364 IonicContact NH2-OE1 2.88Å; R357-E364 IonicContact NH2-OE2 2.88Å; R357-H502 PolarHBondContact NH1-ND1 3.39Å; R357-C503 HydrophobicContact CB-CB 4.09Å; R357-P507 HydrophobicContact CG-CG 4.19Å
358	E	98.3	Very high	95.6	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-74.9	-36.6	175.4	-62.2	176.1	138.4	0	0	111.9	R352 L354 L355 P356 Q361 Q362 H508 L511	R352-E358 IonicContact CZ-OE1 2.64Å; R352-E358 IonicContact CZ-OE2 3.37Å; R352-E358 IonicContact NH1-OE1 3.82Å; R352-E358 IonicContact NH1-OE2 3.53Å; R352-E358 PolarHBondContact NH1-OE2 3.01Å; R352-E358 IonicContact NH2-OE1 3.54Å; R352-E358 PolarHBondContact NH2-OE1 3.29Å; R352-E358 IonicContact NH2-OE2 2.68Å; R352-E358 PolarHBondContact NH2-OE2 3.03Å; L354-E358 WeakPolarHBondContact CA-OE2 3.44Å; L354-E358 HydrophobicContact CB-CB 4.33Å; L354-E358 HydrophobicContact CD2-CB 4.4Å; L355-E358 HydrophobicContact CB-CG 4.26Å; L355-E358 PolarHBondContact N-OE2 3.02Å; L355-E358 WeakPolarHBondContact O-CB 3.47Å; L355-E358 PolarHBondContact O-N 3.18Å; P356-E358 VanDerWaalsContact C-N 3.29Å; P356-E358 PolarHBondContact O-N 3.13Å; E358-Q361 WeakPolarHBondContact O-CB 3.28Å; E358-Q361 PolarHBondContact O-N 3.19Å; E358-Q362 WeakPolarHBondContact O-CG 3.2Å; E358-Q362 PolarHBondContact O-N 3.07Å; E358-H508 HydrophobicContact CG-CB 4.1Å; E358-H508 WeakPolarHBondContact OE1-CB 3.45Å; E358-H508 IonicContact OE1-CD2 3.67Å; E358-H508 IonicContact OE1-CG 3.37Å; E358-L511 HydrophobicContact CB-CD2 3.93Å
359	I	98.8	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-44.4	173.8	-61	165.8	0	0	0	109.3	V277 H278 M347 L354 L355 P356 Q361 Q362 M363	V277-I359 HydrophobicContact CB-CG2 4.02Å; V277-I359 HydrophobicContact CG1-CD1 4.18Å; V277-I359 HydrophobicContact CG1-CG2 3.91Å; H278-I359 HydrophobicContact CB-CD1 3.8Å; M347-I359 HydrophobicContact CE-CD1 3.56Å; M347-I359 HydrophobicContact CE-CG1 3.72Å; M347-I359 HydrophobicContact CE-CG2 4.4Å; L354-I359 HydrophobicContact CB-CD1 4.12Å; L354-I359 HydrophobicContact CB-CG1 3.55Å; L354-I359 HydrophobicContact CD1-CG1 4.21Å; L355-I359 WeakPolarHBondContact O-CG1 3.36Å; L355-I359 PolarHBondContact O-N 2.99Å; P356-I359 PolarHBondContact O-N 2.92Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.07Å; I359-Q362 WeakPolarHBondContact O-CA 3.29Å; I359-Q362 WeakPolarHBondContact O-CB 3.37Å; I359-Q362 PolarHBondContact O-N 3.43Å; I359-M363 HydrophobicContact CG2-CE 3.79Å; I359-M363 WeakPolarHBondContact O-CG 3.28Å; I359-M363 PolarHBondContact O-N 3.23Å
360	E	98.8	Very high	96	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.5	-46.9	172.5	177.2	178.4	-167.4	0	0	111.3	A270 A271 P356 R357 Q362 M363 E364 H502 C503	A270-E360 HydrophobicContact CB-CG 3.9Å; A271-E360 VanDerWaalsContact CA-CD 3.41Å; A271-E360 WeakPolarHBondContact CA-OE1 3.45Å; A271-E360 HydrophobicContact CB-CG 4.39Å; A271-E360 WeakPolarHBondContact CB-OE1 3.46Å; P356-E360 WeakPolarHBondContact O-CB 3.05Å; P356-E360 PolarHBondContact O-N 2.99Å; R357-E360 WeakPolarHBondContact CD-OE2 3.22Å; R357-E360 IonicContact CZ-OE2 3.68Å; R357-E360 IonicContact NE-OE2 3.97Å; R357-E360 VanDerWaalsContact NH1-CG 3.27Å; R357-E360 IonicContact NH1-OE1 3.72Å; R357-E360 PolarHBondContact NH1-OE1 2.99Å; R357-E360 VanDerWaalsContact NH1-OE1 3.14Å; R357-E360 IonicContact NH1-OE2 3.97Å; R357-E360 PolarHBondContact NH1-OE2 2.76Å; E360-Q362 PolarHBondContact O-N 2.89Å; E360-M363 CarbonylContact O-C 3.57Å; E360-M363 WeakPolarHBondContact O-CA 3.38Å; E360-M363 PolarHBondContact O-N 2.9Å; E360-E364 HydrophobicContact CG-CG 4.23Å; E360-E364 WeakPolarHBondContact O-CG 3.08Å; E360-E364 PolarHBondContact O-N 2.64Å; E360-H502 IonicContact OE1-CE1 3.73Å; E360-H502 IonicContact OE1-CG 2.82Å; E360-H502 IonicContact OE1-ND1 3.68Å; E360-H502 PolarHBondContact OE1-ND1 2.93Å; E360-H502 IonicContact OE2-ND1 2.68Å; E360-C503 VanDerWaalsContact OE2-CB 3.28Å; E360-C503 WeakPolarHBondContact OE2-CB 3.31Å; E360-C503 PolarHBondContact OE2-N 2.81Å
361	Q	98.4	Very high	96.6	Very high	23 Å²	23	39.1 Å²	39.1	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-36.1	175.1	-173.9	-172.6	15.8	0	0	112.6	R357 E358 I359 R365 P507 H508	R357-Q361 WeakPolarHBondContact O-CB 3.36Å; R357-Q361 PolarHBondContact O-N 3.49Å; E358-Q361 WeakPolarHBondContact O-CB 3.28Å; E358-Q361 PolarHBondContact O-N 3.19Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.07Å; Q361-R365 VanDerWaalsContact NE2-NH2 3.19Å; Q361-R365 WeakPolarHBondContact O-CD 3.19Å; Q361-R365 VanDerWaalsContact O-CG 3.27Å; Q361-R365 WeakPolarHBondContact O-CG 3.45Å; Q361-R365 PolarHBondContact O-N 3.24Å; Q361-P507 HydrophobicContact CG-CB 4.47Å; Q361-H508 PolarHBondContact NE2-O 2.89Å; Q361-H508 VanDerWaalsContact OE1-N 3.15Å; Q361-H508 PolarHBondContact OE1-O 3.4Å
362	Q	98.7	Very high	97.1	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-41.4	173.6	-61.7	-64.4	-56.1	0	0	111.7	V345 L354 E358 I359 E360 R365 I366 L511 P512 P514	V345-Q362 HydrophobicContact CG1-CB 3.98Å; V345-Q362 HydrophobicContact CG1-CG 4.03Å; L354-Q362 HydrophobicContact CD1-CG 4.43Å; E358-Q362 WeakPolarHBondContact O-CG 3.2Å; E358-Q362 PolarHBondContact O-N 3.07Å; I359-Q362 WeakPolarHBondContact O-CA 3.29Å; I359-Q362 WeakPolarHBondContact O-CB 3.37Å; I359-Q362 PolarHBondContact O-N 3.43Å; E360-Q362 PolarHBondContact O-N 2.89Å; Q362-R365 PolarHBondContact O-N 3.41Å; Q362-I366 WeakPolarHBondContact O-CG1 3.12Å; Q362-I366 PolarHBondContact O-N 3.44Å; Q362-I366 VanDerWaalsContact O-N 3.14Å; Q362-L511 HydrophobicContact CG-CD2 4.26Å; Q362-P512 PolarHBondContact NE2-O 2.87Å; Q362-P512 PolarHBondContact OE1-O 2.96Å; Q362-P514 VanDerWaalsContact OE1-N 3.15Å
363	M	98.8	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-40.3	178.1	-56.1	-53.4	142.7	0	0	111.5	A270 A273 I334 V336 V345 I359 E360 R365 I366 L367 L420	A270-M363 HydrophobicContact CB-CB 3.86Å; A273-M363 HydrophobicContact CB-CG 3.88Å; I334-M363 HydrophobicContact CD1-CE 4.05Å; V336-M363 HydrophobicContact CG1-SD 4.29Å; V336-M363 HydrophobicContact CG2-CE 4.24Å; V336-M363 HydrophobicContact CG2-SD 4.32Å; V345-M363 HydrophobicContact CG1-CE 4.39Å; I359-M363 HydrophobicContact CG2-CE 3.79Å; I359-M363 WeakPolarHBondContact O-CG 3.28Å; I359-M363 PolarHBondContact O-N 3.23Å; E360-M363 CarbonylContact O-C 3.57Å; E360-M363 WeakPolarHBondContact O-CA 3.38Å; E360-M363 PolarHBondContact O-N 2.9Å; M363-R365 VanDerWaalsContact C-N 3.29Å; M363-R365 PolarHBondContact O-N 3.09Å; M363-I366 PolarHBondContact O-N 2.91Å; M363-I366 VanDerWaalsContact O-N 3.09Å; M363-I366 HydrophobicContact SD-CD1 4.28Å; M363-L367 VanDerWaalsContact O-CG 3.31Å; M363-L367 WeakPolarHBondContact O-CG 3.3Å; M363-L367 PolarHBondContact O-N 2.89Å; M363-L420 HydrophobicContact CB-CD1 4.26Å; M363-L420 HydrophobicContact SD-CD1 4.03Å; M363-L420 HydrophobicContact SD-CD2 4.46Å
364	E	98.6	Very high	97.3	Very high	54 Å²	54	47.7 Å²	47.7	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-55.9	-44.3	172.7	-72.8	172.2	164.6	0	0	111	A270 R357 E360 I366 L367 A368 H502	A270-E364 HydrophobicContact CB-CG 3.7Å; R357-E364 IonicContact CZ-OE1 3.68Å; R357-E364 IonicContact NH1-OE1 3.16Å; R357-E364 PolarHBondContact NH1-OE1 2.92Å; R357-E364 IonicContact NH1-OE2 3.54Å; R357-E364 IonicContact NH2-OE1 2.88Å; R357-E364 IonicContact NH2-OE2 2.88Å; E360-E364 HydrophobicContact CG-CG 4.23Å; E360-E364 WeakPolarHBondContact O-CG 3.08Å; E360-E364 PolarHBondContact O-N 2.64Å; E364-I366 VanDerWaalsContact C-N 3.34Å; E364-I366 PolarHBondContact O-N 3.43Å; E364-L367 PolarHBondContact O-N 3.41Å; E364-A368 VanDerWaalsContact O-CB 3.25Å; E364-A368 WeakPolarHBondContact O-CB 3.25Å; E364-A368 PolarHBondContact O-N 3.34Å; E364-H502 IonicContact OE1-CE1 2.64Å; E364-H502 PolarHBondContact OE1-CE1 2.78Å; E364-H502 IonicContact OE1-ND1 3.2Å
365	R	98.4	Very high	97.3	Very high	76 Å²	76	52 Å²	52	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-36.7	175.4	-70.9	167.2	-178.8	-179.4	-4.9	113	Q361 Q362 M363 D369 L511 P512 P514	Q361-R365 VanDerWaalsContact NE2-NH2 3.19Å; Q361-R365 WeakPolarHBondContact O-CD 3.19Å; Q361-R365 VanDerWaalsContact O-CG 3.27Å; Q361-R365 WeakPolarHBondContact O-CG 3.45Å; Q361-R365 PolarHBondContact O-N 3.24Å; Q362-R365 PolarHBondContact O-N 3.41Å; M363-R365 VanDerWaalsContact C-N 3.29Å; M363-R365 PolarHBondContact O-N 3.09Å; R365-D369 PolarHBondContact O-N 3.5Å; R365-L511 PolarHBondContact NH1-O 3.37Å; R365-L511 PolarHBondContact NH2-O 2.92Å; R365-P512 PolarHBondContact NH1-O 3.27Å; R365-P514 HydrophobicContact CB-CG 4.25Å
366	I	98.7	Very high	97.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-43.5	176.2	-67.7	172.8	0	0	0	110.9	V336 H338 F343 V345 Q362 M363 E364 A368 D369 L420 P514	V336-I366 HydrophobicContact CB-CD1 3.85Å; V336-I366 HydrophobicContact CG1-CD1 3.76Å; V336-I366 HydrophobicContact CG1-CG2 4.46Å; V336-I366 HydrophobicContact CG2-CD1 4.13Å; H338-I366 HydrophobicContact CB-CG2 3.71Å; F343-I366 HydrophobicContact CB-CD1 3.94Å; F343-I366 HydrophobicContact CB-CG1 4.37Å; F343-I366 HydrophobicContact CD1-CG1 4.14Å; F343-I366 HydrophobicContact CD2-CD1 4.32Å; F343-I366 HydrophobicContact CD2-CG1 4.21Å; F343-I366 HydrophobicContact CD2-CG2 3.75Å; F343-I366 HydrophobicContact CE1-CG1 4.48Å; F343-I366 HydrophobicContact CE2-CG2 3.64Å; F343-I366 HydrophobicContact CG-CD1 4.06Å; F343-I366 HydrophobicContact CG-CG1 3.99Å; F343-I366 HydrophobicContact CG-CG2 4.38Å; F343-I366 HydrophobicContact CZ-CG2 4.18Å; V345-I366 HydrophobicContact CG2-CD1 3.78Å; Q362-I366 WeakPolarHBondContact O-CG1 3.12Å; Q362-I366 PolarHBondContact O-N 3.44Å; Q362-I366 VanDerWaalsContact O-N 3.14Å; M363-I366 PolarHBondContact O-N 2.91Å; M363-I366 VanDerWaalsContact O-N 3.09Å; M363-I366 HydrophobicContact SD-CD1 4.28Å; E364-I366 VanDerWaalsContact C-N 3.34Å; E364-I366 PolarHBondContact O-N 3.43Å; I366-A368 VanDerWaalsContact C-N 3.31Å; I366-A368 PolarHBondContact O-N 2.94Å; I366-D369 WeakPolarHBondContact O-CB 3.25Å; I366-D369 PolarHBondContact O-N 3.33Å; I366-L420 HydrophobicContact CB-CD1 4.32Å; I366-L420 HydrophobicContact CG2-CD1 3.95Å; I366-P514 HydrophobicContact CD1-CB 4.01Å; I366-P514 HydrophobicContact CD1-CG 4.36Å; I366-P514 HydrophobicContact CG1-CB 3.87Å; I366-P514 HydrophobicContact CG1-CG 3.68Å
367	L	98.6	Very high	97.2	Very high	52 Å²	52	48 Å²	48	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-33.7	179.2	-67.5	174.4	0	0	0	112.2	Q269 A270 H338 M363 E364 L420	Q269-L367 HydrophobicContact CB-CD1 4.41Å; Q269-L367 HydrophobicContact CG-CD1 4.44Å; Q269-L367 VanDerWaalsContact OE1-CD2 3.26Å; A270-L367 HydrophobicContact CB-CD1 3.95Å; H338-L367 VanDerWaalsContact CE1-CD2 3.46Å; H338-L367 WeakPolarHBondContact CE1-CD2 3.26Å; M363-L367 VanDerWaalsContact O-CG 3.31Å; M363-L367 WeakPolarHBondContact O-CG 3.3Å; M363-L367 PolarHBondContact O-N 2.89Å; E364-L367 PolarHBondContact O-N 3.41Å; L367-L420 HydrophobicContact CD2-CB 4.13Å; L367-L420 HydrophobicContact CD2-CD1 3.97Å; L367-L420 HydrophobicContact CG-CD1 4.14Å
368	A	97.9	Very high	97.1	Very high	74 Å²	74	50.5 Å²	50.5	61%	0.612	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.1	178	0	0	0	0	0	114	E364 I366 E370	E364-A368 VanDerWaalsContact O-CB 3.25Å; E364-A368 WeakPolarHBondContact O-CB 3.25Å; E364-A368 PolarHBondContact O-N 3.34Å; I366-A368 VanDerWaalsContact C-N 3.31Å; I366-A368 PolarHBondContact O-N 2.94Å; A368-E370 PolarHBondContact O-N 3.09Å
369	D	96.9	Very high	97.1	Very high	44 Å²	44	52.5 Å²	52.5	24%	0.235	28%	0.28	C	S	.	.			trans	-69.5	127.8	175.3	-175.5	-43.3	0	0	0	108.5	R341 F343 R365 I366 S371	R341-D369 VanDerWaalsContact CZ-O 3.29Å; R341-D369 VanDerWaalsContact NH1-CB 3.27Å; R341-D369 VanDerWaalsContact NH1-CG 3.26Å; R341-D369 PolarHBondContact NH1-O 3.39Å; R341-D369 IonicContact NH1-OD1 3.37Å; R341-D369 PolarHBondContact NH1-OD1 2.89Å; R341-D369 PolarHBondContact NH2-O 3.1Å; R341-D369 VanDerWaalsContact NH2-O 3.09Å; F343-D369 WeakPolarHBondContact CE1-OD2 3.41Å; F343-D369 HydrophobicContact CZ-CB 4.3Å; R365-D369 PolarHBondContact O-N 3.5Å; I366-D369 WeakPolarHBondContact O-CB 3.25Å; I366-D369 PolarHBondContact O-N 3.33Å; D369-S371 WeakPolarHBondContact OD1-CB 3.18Å; D369-S371 PolarHBondContact OD1-N 3.28Å; D369-S371 PolarHBondContact OD1-OG 3.08Å
370	E	94.9	Very high	97.1	Very high	184 Å²	184	52.6 Å²	52.6	86%	0.86	28%	0.28	S	S	*	.			trans	-111	9.3	179.7	-63.5	-176.2	164	0	0	112.6	A368 E372	A368-E370 PolarHBondContact O-N 3.09Å; E370-E372 PolarHBondContact O-N 3.15Å
371	S	94.4	Very high	97	Very high	53 Å²	53	52.6 Å²	52.6	37%	0.371	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-59.9	140.3	177.1	62.2	0	0	0	0	111.1	R341 D369	R341-S371 WeakPolarHBondContact CD-O 3.4Å; D369-S371 WeakPolarHBondContact OD1-CB 3.18Å; D369-S371 PolarHBondContact OD1-N 3.28Å; D369-S371 PolarHBondContact OD1-OG 3.08Å
372	E	93.9	Very high	97.1	Very high	175 Å²	175	51.5 Å²	51.5	82%	0.818	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-74.1	136.4	175.9	-65.4	-170.5	149.1	0	0	110.5	E370	E370-E372 PolarHBondContact O-N 3.15Å
373	P	95.1	Very high	97.1	Very high	44 Å²	44	51.3 Å²	51.3	29%	0.286	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-64.9	146.2	169.5	29	-33	0	0	0	109.5	G340 R341 E377 E378	G340-P373 WeakPolarHBondContact O-CB 3.19Å; R341-P373 HydrophobicContact CG-CB 4.12Å; P373-E377 HydrophobicContact CB-CB 4.22Å; P373-E378 HydrophobicContact CG-CB 4.41Å
374	M	93.8	Very high	97	Very high	78 Å²	78	51.3 Å²	51.3	38%	0.384	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67.1	155.8	173.8	-74.3	-164.8	-61.3	0	0	111.3	G376 E377 W519	M374-G376 PolarHBondContact O-N 3.19Å; M374-G376 VanDerWaalsContact O-N 3.17Å; M374-E377 HydrophobicContact CB-CB 4.32Å; M374-E377 PolarHBondContact N-OE2 3.02Å; M374-E377 WeakPolarHBondContact O-CB 3.42Å; M374-E377 PolarHBondContact O-N 3.48Å; M374-W519 HydrophobicContact CE-CB 3.63Å; M374-W519 VanDerWaalsContact CE-N 3.31Å; M374-W519 WeakPolarHBondContact CE-O 3.43Å
375	P	96.3	Very high	97	Very high	92 Å²	92	48.7 Å²	48.7	60%	0.597	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	124.1	175.8	-29.5	36.6	0	0	0	112.4	E377	P375-E377 VanDerWaalsContact C-N 3.29Å; P375-E377 PolarHBondContact O-N 2.65Å
376	G	96.1	Very high	96.9	Very high	17 Å²	17	45.1 Å²	45.1	18%	0.175	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-17.1	-175.9	0	0	0	0	0	115.8	M374 E378 K379 L380	M374-G376 PolarHBondContact O-N 3.19Å; M374-G376 VanDerWaalsContact O-N 3.17Å; G376-E378 VanDerWaalsContact C-N 3.32Å; G376-E378 PolarHBondContact O-N 3.15Å; G376-K379 PolarHBondContact O-N 2.76Å; G376-L380 PolarHBondContact O-N 2.91Å
377	E	97.4	Very high	96.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-39.6	-177.6	-172.5	-176.5	-176.2	0	0	112	G340 F342 P373 M374 P375 K379 L380 R516 W519 I521	G340-E377 WeakPolarHBondContact O-CG 3.13Å; F342-E377 HydrophobicContact CD2-CG 4.21Å; F342-E377 HydrophobicContact CE2-CG 4.25Å; P373-E377 HydrophobicContact CB-CB 4.22Å; M374-E377 HydrophobicContact CB-CB 4.32Å; M374-E377 PolarHBondContact N-OE2 3.02Å; M374-E377 WeakPolarHBondContact O-CB 3.42Å; M374-E377 PolarHBondContact O-N 3.48Å; P375-E377 VanDerWaalsContact C-N 3.29Å; P375-E377 PolarHBondContact O-N 2.65Å; E377-K379 PolarHBondContact O-N 3Å; E377-K379 VanDerWaalsContact O-N 3.09Å; E377-L380 WeakPolarHBondContact O-CB 3.42Å; E377-L380 PolarHBondContact O-N 3.09Å; E377-R516 IonicContact OE1-CZ 2.8Å; E377-R516 IonicContact OE1-NH1 3.19Å; E377-R516 PolarHBondContact OE1-NH1 2.98Å; E377-R516 IonicContact OE1-NH2 2.76Å; E377-R516 PolarHBondContact OE1-NH2 3.45Å; E377-R516 IonicContact OE2-CZ 3.75Å; E377-R516 IonicContact OE2-NH2 3.84Å; E377-R516 PolarHBondContact OE2-NH2 3.13Å; E377-W519 HydrophobicContact CG-CG 4.46Å; E377-W519 PolarHBondContact OE1-NE1 3.19Å; E377-I521 VanDerWaalsContact CA-CD1 3.5Å; E377-I521 HydrophobicContact CB-CD1 3.84Å; E377-I521 HydrophobicContact CG-CD1 4.49Å
378	E	96.8	Very high	96.9	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-40	-176.4	-177.7	-174.6	170.8	0	0	112.3	Y337 G340 P373 G376 Y449	Y337-E378 PolarHBondContact OH-O 3.11Å; G340-E378 VanDerWaalsContact CA-CA 3.47Å; P373-E378 HydrophobicContact CG-CB 4.41Å; G376-E378 VanDerWaalsContact C-N 3.32Å; G376-E378 PolarHBondContact O-N 3.15Å; E378-Y449 HydrophobicContact CG-CE2 4.25Å; E378-Y449 VanDerWaalsContact O-CD2 3.25Å; E378-Y449 WeakPolarHBondContact O-CD2 3.45Å
379	K	97.9	Very high	96.9	Very high	47 Å²	47	45.1 Å²	45.1	20%	0.204	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	4.6	-174.9	-64.2	167.2	178	-176.8	0	113.1	G376 E377 A381 A382 Y449 I529 E530 L533	G376-K379 PolarHBondContact O-N 2.76Å; E377-K379 PolarHBondContact O-N 3Å; E377-K379 VanDerWaalsContact O-N 3.09Å; K379-A381 PolarHBondContact O-N 3.03Å; K379-A381 VanDerWaalsContact O-N 3.1Å; K379-A382 WeakPolarHBondContact O-CB 3.41Å; K379-A382 PolarHBondContact O-N 3.17Å; K379-Y449 HydrophobicContact CB-CG 4.42Å; K379-Y449 HydrophobicContact CG-CD1 4.33Å; K379-Y449 HydrophobicContact CG-CD2 4.44Å; K379-Y449 HydrophobicContact CG-CG 4.25Å; K379-I529 HydrophobicContact CB-CG2 3.65Å; K379-I529 WeakPolarHBondContact O-CG2 3.5Å; K379-E530 WeakPolarHBondContact CD-OE1 3.49Å; K379-E530 WeakPolarHBondContact CE-OE1 3.35Å; K379-E530 VanDerWaalsContact NZ-CD 3.27Å; K379-E530 IonicContact NZ-OE1 2.68Å; K379-E530 PolarHBondContact NZ-OE1 3.48Å; K379-E530 IonicContact NZ-OE2 3.17Å; K379-E530 PolarHBondContact NZ-OE2 2.9Å; K379-E530 VanDerWaalsContact NZ-OE2 3.09Å; K379-L533 HydrophobicContact CB-CD2 4.31Å; K379-L533 HydrophobicContact CD-CD2 3.6Å; K379-L533 HydrophobicContact CG-CD2 3.95Å
380	L	98.4	Very high	97	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-40.6	-171.2	-177.2	65.2	0	0	0	113.4	F342 G376 E377 A382 L383 F399 W519 I521 I529	F342-L380 HydrophobicContact CE2-CB 4.09Å; F342-L380 HydrophobicContact CE2-CD2 4.1Å; F342-L380 HydrophobicContact CZ-CB 4.28Å; F342-L380 HydrophobicContact CZ-CD2 4.49Å; G376-L380 PolarHBondContact O-N 2.91Å; E377-L380 WeakPolarHBondContact O-CB 3.42Å; E377-L380 PolarHBondContact O-N 3.09Å; L380-A382 PolarHBondContact O-N 3.05Å; L380-L383 HydrophobicContact CD1-CD1 4.16Å; L380-L383 WeakPolarHBondContact O-CG 3.32Å; L380-L383 PolarHBondContact O-N 3.36Å; L380-F399 HydrophobicContact CD1-CE1 3.95Å; L380-F399 HydrophobicContact CD1-CZ 3.62Å; L380-W519 HydrophobicContact CD2-CD2 3.63Å; L380-W519 VanDerWaalsContact CD2-CE2 3.47Å; L380-W519 HydrophobicContact CD2-CE3 3.8Å; L380-W519 HydrophobicContact CD2-CG 4.31Å; L380-W519 HydrophobicContact CD2-CH2 3.72Å; L380-W519 HydrophobicContact CD2-CZ2 3.52Å; L380-W519 HydrophobicContact CD2-CZ3 3.85Å; L380-I521 HydrophobicContact CD1-CD1 4.2Å; L380-I529 HydrophobicContact CD1-CD1 3.68Å; L380-I529 HydrophobicContact CD1-CG1 4.4Å
381	A	98.1	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.6	-177.8	0	0	0	0	0	113.7	F342 K379 L383 T384 Y449 R451 W452	F342-A381 HydrophobicContact CE1-CB 4.48Å; F342-A381 HydrophobicContact CZ-CB 4.19Å; K379-A381 PolarHBondContact O-N 3.03Å; K379-A381 VanDerWaalsContact O-N 3.1Å; A381-L383 PolarHBondContact O-N 3.18Å; A381-L383 VanDerWaalsContact O-N 3.15Å; A381-T384 WeakPolarHBondContact O-CB 3.27Å; A381-T384 PolarHBondContact O-N 3.39Å; A381-T384 PolarHBondContact O-OG1 2.82Å; A381-Y449 VanDerWaalsContact CB-O 3.32Å; A381-Y449 WeakPolarHBondContact CB-O 3.17Å; A381-R451 WeakPolarHBondContact CB-O 3.45Å; A381-W452 HydrophobicContact CB-CE3 3.81Å; A381-W452 HydrophobicContact CB-CZ3 4.07Å
382	A	98.6	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.7	-27.1	170.9	0	0	0	0	0	112.6	K379 L380 T384 A385 G386 C448 I529 S532 L533	K379-A382 WeakPolarHBondContact O-CB 3.41Å; K379-A382 PolarHBondContact O-N 3.17Å; L380-A382 PolarHBondContact O-N 3.05Å; A382-T384 PolarHBondContact O-N 3Å; A382-A385 WeakPolarHBondContact O-CB 3.5Å; A382-A385 PolarHBondContact O-N 3.38Å; A382-G386 PolarHBondContact O-N 3.24Å; A382-G386 VanDerWaalsContact O-N 3.08Å; A382-C448 WeakPolarHBondContact CA-O 3.38Å; A382-I529 HydrophobicContact CB-CG2 4.41Å; A382-S532 WeakPolarHBondContact O-CB 3.38Å; A382-L533 HydrophobicContact CB-CB 3.78Å; A382-L533 HydrophobicContact CB-CD1 4.09Å; A382-L533 HydrophobicContact CB-CG 4.45Å
383	L	98.7	Very high	97.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-35.7	172.7	-65.7	171.4	0	0	0	111.9	L380 A381 A385 W391 A394 F399 T528 I529	L380-L383 HydrophobicContact CD1-CD1 4.16Å; L380-L383 WeakPolarHBondContact O-CG 3.32Å; L380-L383 PolarHBondContact O-N 3.36Å; A381-L383 PolarHBondContact O-N 3.18Å; A381-L383 VanDerWaalsContact O-N 3.15Å; L383-A385 VanDerWaalsContact C-N 3.33Å; L383-W391 HydrophobicContact CB-CD2 3.82Å; L383-W391 HydrophobicContact CB-CE3 3.47Å; L383-W391 VanDerWaalsContact CB-CE3 3.47Å; L383-W391 HydrophobicContact CB-CG 4.42Å; L383-W391 HydrophobicContact CB-CH2 4.45Å; L383-W391 HydrophobicContact CB-CZ3 3.84Å; L383-W391 HydrophobicContact CD1-CE3 3.91Å; L383-W391 HydrophobicContact CD1-CH2 4.4Å; L383-W391 HydrophobicContact CD1-CZ3 3.57Å; L383-W391 HydrophobicContact CD2-CE3 4.39Å; L383-W391 HydrophobicContact CG-CE3 4.12Å; L383-W391 HydrophobicContact CG-CZ3 4.26Å; L383-W391 VanDerWaalsContact O-CB 3.3Å; L383-W391 WeakPolarHBondContact O-CB 3.4Å; L383-W391 VanDerWaalsContact O-CG 3.24Å; L383-A394 HydrophobicContact CD2-CB 4.23Å; L383-F399 HydrophobicContact CD1-CE2 3.96Å; L383-F399 HydrophobicContact CD1-CZ 4.02Å; L383-T528 HydrophobicContact CD2-CG2 3.93Å; L383-I529 HydrophobicContact CD1-CD1 4.5Å; L383-I529 HydrophobicContact CD1-CG1 3.79Å; L383-I529 HydrophobicContact CD2-CG1 3.98Å; L383-I529 HydrophobicContact CG-CG1 3.78Å
384	T	98.7	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-77.3	-19.7	177.3	73.5	0	0	0	0	113.3	A381 A382 R388 W391 W452 F453	A381-T384 WeakPolarHBondContact O-CB 3.27Å; A381-T384 PolarHBondContact O-N 3.39Å; A381-T384 PolarHBondContact O-OG1 2.82Å; A382-T384 PolarHBondContact O-N 3Å; T384-R388 PolarHBondContact O-NH1 2.73Å; T384-W391 HydrophobicContact CG2-CZ2 4.18Å; T384-W452 HydrophobicContact CG2-CD2 3.87Å; T384-W452 HydrophobicContact CG2-CE3 4.21Å; T384-W452 HydrophobicContact CG2-CG 4.37Å; T384-W452 HydrophobicContact CG2-CH2 4.19Å; T384-W452 HydrophobicContact CG2-CZ2 3.83Å; T384-W452 HydrophobicContact CG2-CZ3 4.36Å; T384-F453 PolarHBondContact OG1-N 3.02Å
385	A	98.2	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-89	-27.3	-177.9	0	0	0	0	0	113.3	P248 M250 A382 L383 C448 F453 A536	P248-A385 WeakPolarHBondContact CB-O 3.25Å; M250-A385 HydrophobicContact SD-CB 3.96Å; A382-A385 WeakPolarHBondContact O-CB 3.5Å; A382-A385 PolarHBondContact O-N 3.38Å; L383-A385 VanDerWaalsContact C-N 3.33Å; A385-C448 VanDerWaalsContact CB-O 3.24Å; A385-C448 WeakPolarHBondContact CB-O 3.45Å; A385-F453 HydrophobicContact CB-CD2 3.59Å; A385-F453 HydrophobicContact CB-CE2 3.59Å; A385-A536 HydrophobicContact CB-CB 3.68Å
386	G	96.6	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-80.2	-162.3	179.1	0	0	0	0	0	114.2	P248 A382	P248-G386 WeakPolarHBondContact CA-O 3.15Å; A382-G386 PolarHBondContact O-N 3.24Å; A382-G386 VanDerWaalsContact O-N 3.08Å
387	E	97.3	Very high	98.1	Very high	94 Å²	94	33.4 Å²	33.4	44%	0.439	16%	0.159	S	C	.	.			trans	-64.6	149.2	177.5	-65.4	-169.2	117.2	0	0	113	P248 P390 W391 V535	P248-E387 HydrophobicContact CG-CG 4.37Å; E387-P390 HydrophobicContact CB-CG 3.94Å; E387-W391 PolarHBondContact O-N 2.79Å; E387-V535 HydrophobicContact CG-CG1 4.32Å
388	R	98.4	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.6	-39.6	-171.2	-51.3	-48.8	-63.7	172.1	-1.8	113	R246 G247 D323 T384 W391 A392 D454	R246-R388 WeakPolarHBondContact O-CG 3.35Å; R246-R388 PolarHBondContact O-N 3.44Å; G247-R388 WeakPolarHBondContact O-CG 3.38Å; D323-R388 IonicContact OD2-CZ 3.05Å; D323-R388 IonicContact OD2-NE 3.3Å; D323-R388 PolarHBondContact OD2-NE 3.2Å; D323-R388 IonicContact OD2-NH2 2.57Å; D323-R388 PolarHBondContact OD2-NH2 3.5Å; D323-R388 VanDerWaalsContact OD2-NH2 3.16Å; T384-R388 PolarHBondContact O-NH1 2.73Å; R388-W391 PolarHBondContact O-N 2.82Å; R388-A392 WeakPolarHBondContact O-CB 3.49Å; R388-A392 PolarHBondContact O-N 3.34Å; R388-D454 IonicContact CZ-OD1 2.69Å; R388-D454 IonicContact NH1-OD1 3Å; R388-D454 PolarHBondContact NH1-OD1 2.99Å; R388-D454 IonicContact NH2-OD1 3.56Å; R388-D454 PolarHBondContact NH2-OD1 3.29Å; R388-D454 IonicContact NH2-OD2 3.25Å
389	T	98.4	Very high	98.2	Very high	33 Å²	33	30.9 Å²	30.9	20%	0.202	15%	0.147	C	C	.	.	H	α-helix	trans	-69.5	-45.9	-177.5	-58.6	0	0	0	0	112.8	V320 W391 A392 K393	V320-T389 HydrophobicContact CG1-CG2 4.13Å; V320-T389 PolarHBondContact O-OG1 3.34Å; T389-W391 VanDerWaalsContact C-N 3.3Å; T389-W391 PolarHBondContact O-N 3Å; T389-A392 PolarHBondContact O-N 2.91Å; T389-K393 HydrophobicContact CG2-CD 4.5Å; T389-K393 WeakPolarHBondContact O-CG 3.38Å; T389-K393 PolarHBondContact O-N 2.95Å; T389-K393 VanDerWaalsContact O-N 3.07Å
390	P	98.1	Very high	98.1	Very high	45 Å²	45	34.3 Å²	34.3	29%	0.292	16%	0.162	S	C	.	.	H	α-helix	trans	-57	-42.2	170.4	-27.7	37.2	0	0	0	112.8	E387 A392 K393 A394	E387-P390 HydrophobicContact CB-CG 3.94Å; P390-A392 PolarHBondContact O-N 2.87Å; P390-K393 PolarHBondContact O-N 2.89Å; P390-A394 WeakPolarHBondContact O-CB 3.45Å; P390-A394 PolarHBondContact O-N 2.97Å
391	W	98.4	Very high	98	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-46	175.8	179.6	-155.6	0	0	0	112	P318 L383 T384 E387 R388 T389 K393 A394 R395 F399 L408 W452 D454	P318-W391 HydrophobicContact CB-CB 4.29Å; P318-W391 HydrophobicContact CB-CG 3.92Å; P318-W391 VanDerWaalsContact CG-CD1 3.42Å; P318-W391 HydrophobicContact CG-CD2 3.95Å; P318-W391 HydrophobicContact CG-CG 3.74Å; P318-W391 HydrophobicContact CG-CZ2 4.49Å; L383-W391 HydrophobicContact CB-CD2 3.82Å; L383-W391 HydrophobicContact CB-CE3 3.47Å; L383-W391 VanDerWaalsContact CB-CE3 3.47Å; L383-W391 HydrophobicContact CB-CG 4.42Å; L383-W391 HydrophobicContact CB-CH2 4.45Å; L383-W391 HydrophobicContact CB-CZ3 3.84Å; L383-W391 HydrophobicContact CD1-CE3 3.91Å; L383-W391 HydrophobicContact CD1-CH2 4.4Å; L383-W391 HydrophobicContact CD1-CZ3 3.57Å; L383-W391 HydrophobicContact CD2-CE3 4.39Å; L383-W391 HydrophobicContact CG-CE3 4.12Å; L383-W391 HydrophobicContact CG-CZ3 4.26Å; L383-W391 VanDerWaalsContact O-CB 3.3Å; L383-W391 WeakPolarHBondContact O-CB 3.4Å; L383-W391 VanDerWaalsContact O-CG 3.24Å; T384-W391 HydrophobicContact CG2-CZ2 4.18Å; E387-W391 PolarHBondContact O-N 2.79Å; R388-W391 PolarHBondContact O-N 2.82Å; T389-W391 VanDerWaalsContact C-N 3.3Å; T389-W391 PolarHBondContact O-N 3Å; W391-K393 VanDerWaalsContact C-N 3.32Å; W391-K393 PolarHBondContact O-N 3Å; W391-A394 HydrophobicContact CE3-CB 4.14Å; W391-A394 HydrophobicContact CZ3-CB 4.5Å; W391-A394 PolarHBondContact O-N 3.36Å; W391-R395 HydrophobicContact CE3-CB 4.1Å; W391-R395 HydrophobicContact CH2-CB 4.12Å; W391-R395 HydrophobicContact CH2-CG 4.25Å; W391-R395 HydrophobicContact CZ3-CB 3.86Å; W391-R395 HydrophobicContact CZ3-CG 4.47Å; W391-R395 WeakPolarHBondContact O-CB 3.4Å; W391-R395 PolarHBondContact O-N 3.48Å; W391-F399 HydrophobicContact CZ3-CD2 4.14Å; W391-F399 HydrophobicContact CZ3-CE2 4.02Å; W391-L408 HydrophobicContact CH2-CD1 4.44Å; W391-W452 HydrophobicContact CZ2-CZ2 4.16Å; W391-D454 PolarHBondContact NE1-OD2 3.3Å
392	A	98.7	Very high	97.9	Very high	7 Å²	7	40.3 Å²	40.3	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-57.1	-44.8	176.9	0	0	0	0	0	112.6	P318 G319 V320 R388 T389 P390 R395 E396	P318-A392 HydrophobicContact CB-CB 3.97Å; G319-A392 WeakPolarHBondContact O-CB 3.19Å; V320-A392 HydrophobicContact CG2-CB 4.34Å; R388-A392 WeakPolarHBondContact O-CB 3.49Å; R388-A392 PolarHBondContact O-N 3.34Å; T389-A392 PolarHBondContact O-N 2.91Å; P390-A392 PolarHBondContact O-N 2.87Å; A392-R395 PolarHBondContact O-N 3.47Å; A392-E396 PolarHBondContact O-N 2.91Å; A392-E396 VanDerWaalsContact O-N 3.12Å
393	K	98.6	Very high	97.8	Very high	125 Å²	125	45.8 Å²	45.8	54%	0.543	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-45.9	177.9	-69.9	177.1	179	-179.6	0	111.6	T389 P390 W391 R395 E396 Q397	T389-K393 HydrophobicContact CG2-CD 4.5Å; T389-K393 WeakPolarHBondContact O-CG 3.38Å; T389-K393 PolarHBondContact O-N 2.95Å; T389-K393 VanDerWaalsContact O-N 3.07Å; P390-K393 PolarHBondContact O-N 2.89Å; W391-K393 VanDerWaalsContact C-N 3.32Å; W391-K393 PolarHBondContact O-N 3Å; K393-R395 VanDerWaalsContact C-N 3.33Å; K393-R395 PolarHBondContact O-N 3.36Å; K393-E396 PolarHBondContact O-N 3.22Å; K393-Q397 WeakPolarHBondContact O-CB 3.48Å; K393-Q397 PolarHBondContact O-N 3.19Å
394	A	98.4	Very high	97.7	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-42.3	177.3	0	0	0	0	0	111.6	L383 P390 W391 E396 Q397 F398 F399 T528	L383-A394 HydrophobicContact CD2-CB 4.23Å; P390-A394 WeakPolarHBondContact O-CB 3.45Å; P390-A394 PolarHBondContact O-N 2.97Å; W391-A394 HydrophobicContact CE3-CB 4.14Å; W391-A394 HydrophobicContact CZ3-CB 4.5Å; W391-A394 PolarHBondContact O-N 3.36Å; A394-E396 PolarHBondContact O-N 2.95Å; A394-Q397 PolarHBondContact O-N 3.42Å; A394-F398 HydrophobicContact CB-CD2 4.1Å; A394-F398 HydrophobicContact CB-CE2 4.37Å; A394-F398 WeakPolarHBondContact O-CD2 3.45Å; A394-F398 PolarHBondContact O-N 2.79Å; A394-F399 WeakPolarHBondContact O-CD2 3.47Å; A394-T528 HydrophobicContact CB-CG2 3.92Å
395	R	98.1	Very high	97.7	Very high	54 Å²	54	51 Å²	51	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-47.7	176.1	-169.7	177.6	178.1	-73.7	-1.9	111.6	P318 W391 A392 K393 F399 K400 L408 E412	P318-R395 HydrophobicContact CG-CB 4.37Å; W391-R395 HydrophobicContact CE3-CB 4.1Å; W391-R395 HydrophobicContact CH2-CB 4.12Å; W391-R395 HydrophobicContact CH2-CG 4.25Å; W391-R395 HydrophobicContact CZ3-CB 3.86Å; W391-R395 HydrophobicContact CZ3-CG 4.47Å; W391-R395 WeakPolarHBondContact O-CB 3.4Å; W391-R395 PolarHBondContact O-N 3.48Å; A392-R395 PolarHBondContact O-N 3.47Å; K393-R395 VanDerWaalsContact C-N 3.33Å; K393-R395 PolarHBondContact O-N 3.36Å; R395-F399 HydrophobicContact CG-CB 4.48Å; R395-F399 CarbonylContact O-C 3.55Å; R395-F399 WeakPolarHBondContact O-CA 3.34Å; R395-F399 WeakPolarHBondContact O-CB 3.46Å; R395-F399 PolarHBondContact O-N 3.39Å; R395-K400 PolarHBondContact O-N 2.79Å; R395-L408 HydrophobicContact CG-CD2 3.94Å; R395-E412 IonicContact CZ-OE1 3.13Å; R395-E412 IonicContact CZ-OE2 2.8Å; R395-E412 IonicContact NE-OE1 3.36Å; R395-E412 PolarHBondContact NE-OE1 3.04Å; R395-E412 IonicContact NE-OE2 3.43Å; R395-E412 IonicContact NH2-OE1 2.85Å; R395-E412 PolarHBondContact NH2-OE1 2.93Å; R395-E412 VanDerWaalsContact NH2-OE1 3.13Å; R395-E412 IonicContact NH2-OE2 3.99Å; R395-E412 PolarHBondContact NH2-OE2 2.86Å
396	E	98.1	Very high	97.7	Very high	111 Å²	111	57.5 Å²	57.5	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-67.2	-40.8	178.6	-177.2	55.4	-145.6	0	0	112.4	A392 K393 A394 K400	A392-E396 PolarHBondContact O-N 2.91Å; A392-E396 VanDerWaalsContact O-N 3.12Å; K393-E396 PolarHBondContact O-N 3.22Å; A394-E396 PolarHBondContact O-N 2.95Å; E396-K400 WeakPolarHBondContact O-CB 3.37Å; E396-K400 WeakPolarHBondContact O-CD 3.18Å; E396-K400 VanDerWaalsContact O-CG 3.27Å; E396-K400 WeakPolarHBondContact O-CG 3.46Å
397	Q	98.1	Very high	97.8	Very high	95 Å²	95	57.9 Å²	57.9	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-73.3	-48.5	-176.6	-174	173.5	-9.4	0	0	112.6	K393 A394 E524	K393-Q397 WeakPolarHBondContact O-CB 3.48Å; K393-Q397 PolarHBondContact O-N 3.19Å; A394-Q397 PolarHBondContact O-N 3.42Å; Q397-E524 PolarHBondContact NE2-OE1 2.85Å; Q397-E524 PolarHBondContact NE2-OE2 3.36Å; Q397-E524 VanDerWaalsContact NE2-OE2 3.17Å
398	F	98.3	Very high	97.8	Very high	26 Å²	26	53.6 Å²	53.6	11%	0.114	27%	0.271	C	S	.	.	H	α-helix	trans	-106.4	-18.6	-167.6	-52.1	-66	0	0	0	114.3	A394 N404 E524 C525	A394-F398 HydrophobicContact CB-CD2 4.1Å; A394-F398 HydrophobicContact CB-CE2 4.37Å; A394-F398 WeakPolarHBondContact O-CD2 3.45Å; A394-F398 PolarHBondContact O-N 2.79Å; F398-N404 WeakPolarHBondContact O-CB 3.32Å; F398-N404 PolarHBondContact O-ND2 3.22Å; F398-E524 HydrophobicContact CE1-CB 4.25Å; F398-E524 HydrophobicContact CE1-CG 4.33Å; F398-E524 HydrophobicContact CZ-CB 4.15Å; F398-E524 HydrophobicContact CZ-CG 3.85Å; F398-C525 HydrophobicContact CB-CB 4.41Å; F398-C525 HydrophobicContact CD1-CB 3.84Å; F398-C525 HydrophobicContact CD2-CB 3.86Å; F398-C525 HydrophobicContact CE1-CB 4.02Å; F398-C525 HydrophobicContact CE2-CB 4.04Å; F398-C525 HydrophobicContact CG-CB 3.77Å; F398-C525 HydrophobicContact CZ-CB 4.12Å
399	F	98	Very high	97.8	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	28%	0.281	C	S	.	.	S	Bend	trans	-119.2	7	-171.1	-56.2	-96.2	0	0	0	114.8	L380 L383 W391 A394 R395 S401 N404 K405 L408 W519	L380-F399 HydrophobicContact CD1-CE1 3.95Å; L380-F399 HydrophobicContact CD1-CZ 3.62Å; L383-F399 HydrophobicContact CD1-CE2 3.96Å; L383-F399 HydrophobicContact CD1-CZ 4.02Å; W391-F399 HydrophobicContact CZ3-CD2 4.14Å; W391-F399 HydrophobicContact CZ3-CE2 4.02Å; A394-F399 WeakPolarHBondContact O-CD2 3.47Å; R395-F399 HydrophobicContact CG-CB 4.48Å; R395-F399 CarbonylContact O-C 3.55Å; R395-F399 WeakPolarHBondContact O-CA 3.34Å; R395-F399 WeakPolarHBondContact O-CB 3.46Å; R395-F399 PolarHBondContact O-N 3.39Å; F399-S401 PolarHBondContact O-N 2.81Å; F399-N404 HydrophobicContact CB-CB 4.43Å; F399-N404 HydrophobicContact CD1-CB 3.75Å; F399-N404 HydrophobicContact CE1-CB 4.35Å; F399-N404 HydrophobicContact CG-CB 4.32Å; F399-K405 VanDerWaalsContact O-CA 3.27Å; F399-K405 WeakPolarHBondContact O-CA 3.02Å; F399-K405 VanDerWaalsContact O-CB 3.3Å; F399-K405 WeakPolarHBondContact O-CB 3.44Å; F399-L408 HydrophobicContact CB-CD2 3.55Å; F399-L408 HydrophobicContact CD1-CB 4.42Å; F399-L408 HydrophobicContact CD1-CD2 4.33Å; F399-L408 HydrophobicContact CG-CD2 4.12Å; F399-W519 HydrophobicContact CD1-CE3 4.33Å; F399-W519 AromaticContact CD1-CZ3 3.91Å; F399-W519 HydrophobicContact CD1-CZ3 3.91Å; F399-W519 AromaticContact CE1-CE3 3.93Å; F399-W519 HydrophobicContact CE1-CE3 3.93Å; F399-W519 AromaticContact CE1-CZ3 3.75Å; F399-W519 HydrophobicContact CE1-CZ3 3.75Å
400	K	96.3	Very high	97.8	Very high	119 Å²	119	54.3 Å²	54.3	52%	0.517	28%	0.275	S	S	.	.	S	Bend	trans	-73.8	-21.6	-179.2	67.1	173.8	167.6	-165.6	0	115.2	R395 E396 K405	R395-K400 PolarHBondContact O-N 2.79Å; E396-K400 WeakPolarHBondContact O-CB 3.37Å; E396-K400 WeakPolarHBondContact O-CD 3.18Å; E396-K400 VanDerWaalsContact O-CG 3.27Å; E396-K400 WeakPolarHBondContact O-CG 3.46Å; K400-K405 VanDerWaalsContact O-CD 3.27Å; K400-K405 WeakPolarHBondContact O-CD 3.41Å
401	S	95.4	Very high	97.8	Very high	79 Å²	79	52.2 Å²	52.2	55%	0.552	26%	0.261	S	S	*	.	S	Bend	trans	-145.5	176.4	-175.8	65.8	0	0	0	0	113.1	F399 K405	F399-S401 PolarHBondContact O-N 2.81Å; S401-K405 WeakPolarHBondContact O-CB 3.38Å; S401-K405 PolarHBondContact O-N 3.41Å
402	G	96.4	Very high	97.8	Very high	48 Å²	48	52.2 Å²	52.2	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	65.7	-151.3	173.3	0	0	0	0	0	115	K405 Q406	G402-K405 PolarHBondContact O-N 2.86Å; G402-Q406 WeakPolarHBondContact O-CG 3.12Å; G402-Q406 PolarHBondContact O-N 2.75Å
403	K	95.8	Very high	97.8	Very high	116 Å²	116	54.9 Å²	54.9	50%	0.504	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-41.9	-179.4	-65	-179	-178.5	177.1	0	111.8	K405 Q406 S407 Q518	K403-K405 PolarHBondContact O-N 2.92Å; K403-Q406 PolarHBondContact O-N 3.19Å; K403-Q406 VanDerWaalsContact O-N 3.16Å; K403-S407 PolarHBondContact O-N 2.82Å; K403-S407 PolarHBondContact O-OG 3.02Å; K403-Q518 HydrophobicContact CD-CB 4.38Å
404	N	98	Very high	97.7	Very high	10 Å²	10	49 Å²	49	5%	0.053	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-47	178.3	-71.9	-13	0	0	0	112.3	F398 F399 Q406 S407 L408 W519 D520	F398-N404 WeakPolarHBondContact O-CB 3.32Å; F398-N404 PolarHBondContact O-ND2 3.22Å; F399-N404 HydrophobicContact CB-CB 4.43Å; F399-N404 HydrophobicContact CD1-CB 3.75Å; F399-N404 HydrophobicContact CE1-CB 4.35Å; F399-N404 HydrophobicContact CG-CB 4.32Å; N404-Q406 PolarHBondContact O-N 2.73Å; N404-S407 PolarHBondContact O-N 3.43Å; N404-L408 VanDerWaalsContact O-CB 3.23Å; N404-L408 WeakPolarHBondContact O-CB 3.32Å; N404-L408 PolarHBondContact O-N 2.99Å; N404-W519 HydrophobicContact CB-CE3 4.4Å; N404-W519 VanDerWaalsContact OD1-CA 3.29Å; N404-W519 WeakPolarHBondContact OD1-CA 3.48Å; N404-D520 PolarHBondContact ND2-O 3.34Å; N404-D520 PolarHBondContact OD1-N 3.15Å
405	K	98	Very high	97.7	Very high	101 Å²	101	48.8 Å²	48.8	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-44.6	176.9	-167.6	-156.5	-175.4	-173.1	0	112	F399 K400 S401 G402 K403 S407 L408 D409	F399-K405 VanDerWaalsContact O-CA 3.27Å; F399-K405 WeakPolarHBondContact O-CA 3.02Å; F399-K405 VanDerWaalsContact O-CB 3.3Å; F399-K405 WeakPolarHBondContact O-CB 3.44Å; K400-K405 VanDerWaalsContact O-CD 3.27Å; K400-K405 WeakPolarHBondContact O-CD 3.41Å; S401-K405 WeakPolarHBondContact O-CB 3.38Å; S401-K405 PolarHBondContact O-N 3.41Å; G402-K405 PolarHBondContact O-N 2.86Å; K403-K405 PolarHBondContact O-N 2.92Å; K405-S407 VanDerWaalsContact C-N 3.34Å; K405-S407 PolarHBondContact O-N 3.45Å; K405-L408 PolarHBondContact O-N 3.44Å; K405-D409 WeakPolarHBondContact O-CB 3.29Å; K405-D409 PolarHBondContact O-N 3.25Å
406	Q	98.1	Very high	97.8	Very high	136 Å²	136	46.2 Å²	46.2	64%	0.636	24%	0.235	S	C	*	.	H	α-helix	trans	-63.8	-41.2	-179.1	-66.8	178.7	30.2	0	0	111.9	G402 K403 N404 A410	G402-Q406 WeakPolarHBondContact O-CG 3.12Å; G402-Q406 PolarHBondContact O-N 2.75Å; K403-Q406 PolarHBondContact O-N 3.19Å; K403-Q406 VanDerWaalsContact O-N 3.16Å; N404-Q406 PolarHBondContact O-N 2.73Å; Q406-A410 PolarHBondContact O-N 2.95Å; Q406-A410 VanDerWaalsContact O-N 3.1Å
407	S	98.4	Very high	97.8	Very high	7 Å²	7	41 Å²	41	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-71.3	-43.3	177.6	-67.1	0	0	0	0	112.1	K403 N404 K405 D409 A410 I411 Q518 W519	K403-S407 PolarHBondContact O-N 2.82Å; K403-S407 PolarHBondContact O-OG 3.02Å; N404-S407 PolarHBondContact O-N 3.43Å; K405-S407 VanDerWaalsContact C-N 3.34Å; K405-S407 PolarHBondContact O-N 3.45Å; S407-D409 PolarHBondContact O-N 3.39Å; S407-A410 WeakPolarHBondContact O-CB 3.32Å; S407-A410 PolarHBondContact O-N 3.48Å; S407-A410 VanDerWaalsContact O-N 3.11Å; S407-I411 PolarHBondContact O-N 2.88Å; S407-Q518 WeakPolarHBondContact CB-O 3.44Å; S407-Q518 PolarHBondContact OG-N 3.1Å; S407-Q518 VanDerWaalsContact OG-N 3.15Å; S407-Q518 PolarHBondContact OG-O 2.95Å; S407-W519 VanDerWaalsContact CB-CH2 3.46Å
408	L	98.5	Very high	97.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-45.4	174	-177.6	62.4	0	0	0	111.2	W391 R395 F399 N404 K405 A410 I411 E412 W452 W519	W391-L408 HydrophobicContact CH2-CD1 4.44Å; R395-L408 HydrophobicContact CG-CD2 3.94Å; F399-L408 HydrophobicContact CB-CD2 3.55Å; F399-L408 HydrophobicContact CD1-CB 4.42Å; F399-L408 HydrophobicContact CD1-CD2 4.33Å; F399-L408 HydrophobicContact CG-CD2 4.12Å; N404-L408 VanDerWaalsContact O-CB 3.23Å; N404-L408 WeakPolarHBondContact O-CB 3.32Å; N404-L408 PolarHBondContact O-N 2.99Å; K405-L408 PolarHBondContact O-N 3.44Å; L408-A410 PolarHBondContact O-N 3.25Å; L408-I411 PolarHBondContact O-N 3.27Å; L408-E412 HydrophobicContact CD1-CG 3.94Å; L408-E412 HydrophobicContact CG-CG 4.06Å; L408-E412 WeakPolarHBondContact O-CG 3.43Å; L408-E412 PolarHBondContact O-N 2.97Å; L408-W452 HydrophobicContact CD1-CH2 3.69Å; L408-W452 HydrophobicContact CD1-CZ2 3.42Å; L408-W452 VanDerWaalsContact CD1-CZ2 3.42Å; L408-W519 HydrophobicContact CB-CZ3 4.36Å
409	D	97.8	Very high	97.9	Very high	40 Å²	40	35.2 Å²	35.2	21%	0.214	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-36.8	173.8	-95.7	-9.7	0	0	0	111.9	K405 S407 I411 K413	K405-D409 WeakPolarHBondContact O-CB 3.29Å; K405-D409 PolarHBondContact O-N 3.25Å; S407-D409 PolarHBondContact O-N 3.39Å; D409-I411 VanDerWaalsContact C-N 3.29Å; D409-I411 PolarHBondContact O-N 2.79Å; D409-K413 HydrophobicContact CB-CD 4.27Å; D409-K413 WeakPolarHBondContact O-CB 3.41Å; D409-K413 VanDerWaalsContact O-CG 3.25Å; D409-K413 WeakPolarHBondContact O-CG 3.43Å; D409-K413 PolarHBondContact O-N 3.18Å; D409-K413 WeakPolarHBondContact OD1-CE 3.04Å; D409-K413 IonicContact OD1-NZ 2.78Å; D409-K413 PolarHBondContact OD1-NZ 3.48Å; D409-K413 IonicContact OD2-NZ 2.71Å; D409-K413 PolarHBondContact OD2-NZ 2.77Å
410	A	98.4	Very high	97.9	Very high	9 Å²	9	35 Å²	35	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-36.3	176.6	0	0	0	0	0	111.5	H333 K344 Q406 S407 L408 A414 L517	H333-A410 PolarHBondContact NE2-O 2.84Å; K344-A410 HydrophobicContact CD-CB 4.25Å; Q406-A410 PolarHBondContact O-N 2.95Å; Q406-A410 VanDerWaalsContact O-N 3.1Å; S407-A410 WeakPolarHBondContact O-CB 3.32Å; S407-A410 PolarHBondContact O-N 3.48Å; S407-A410 VanDerWaalsContact O-N 3.11Å; L408-A410 PolarHBondContact O-N 3.25Å; A410-A414 WeakPolarHBondContact O-CB 3.44Å; A410-A414 PolarHBondContact O-N 3.23Å; A410-L517 HydrophobicContact CB-CD1 4.13Å; A410-L517 HydrophobicContact CB-CD2 3.83Å
411	I	98.6	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-76.4	-52.8	176.9	-61.9	173.3	0	0	0	111	A335 F342 S407 L408 D409 K413 A414 F417 W452 K455 L517 W519	A335-I411 HydrophobicContact CB-CB 4.45Å; A335-I411 HydrophobicContact CB-CG1 4.17Å; F342-I411 HydrophobicContact CD1-CD1 3.62Å; F342-I411 HydrophobicContact CE1-CD1 4.08Å; F342-I411 HydrophobicContact CG-CD1 4.23Å; S407-I411 PolarHBondContact O-N 2.88Å; L408-I411 PolarHBondContact O-N 3.27Å; D409-I411 VanDerWaalsContact C-N 3.29Å; D409-I411 PolarHBondContact O-N 2.79Å; I411-K413 VanDerWaalsContact C-N 3.28Å; I411-K413 PolarHBondContact O-N 2.88Å; I411-A414 VanDerWaalsContact O-CB 3.27Å; I411-A414 WeakPolarHBondContact O-CB 3.43Å; I411-A414 PolarHBondContact O-N 2.88Å; I411-A414 VanDerWaalsContact O-N 3.1Å; I411-F417 HydrophobicContact CG2-CD2 3.94Å; I411-F417 HydrophobicContact CG2-CE2 3.93Å; I411-W452 HydrophobicContact CD1-CE3 4.11Å; I411-W452 HydrophobicContact CD1-CH2 4.13Å; I411-W452 HydrophobicContact CD1-CZ3 3.81Å; I411-W452 HydrophobicContact CG2-CD2 3.5Å; I411-W452 HydrophobicContact CG2-CE3 3.97Å; I411-W452 HydrophobicContact CG2-CG 3.75Å; I411-W452 HydrophobicContact CG2-CZ2 4.12Å; I411-W452 HydrophobicContact CG2-CZ3 4.44Å; I411-K455 PolarHBondContact O-NZ 3.01Å; I411-L517 HydrophobicContact CD1-CD1 4.13Å; I411-L517 HydrophobicContact CG1-CD1 3.84Å; I411-W519 HydrophobicContact CD1-CH2 3.92Å; I411-W519 HydrophobicContact CD1-CZ2 3.91Å
412	E	97.9	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-36.5	-176.7	-67.7	-175.9	161.9	0	0	111.4	T315 R395 L408 K455	T315-E412 HydrophobicContact CG2-CB 4.38Å; T315-E412 HydrophobicContact CG2-CG 4.12Å; T315-E412 WeakPolarHBondContact OG1-CA 3.38Å; T315-E412 PolarHBondContact OG1-O 3.45Å; R395-E412 IonicContact CZ-OE1 3.13Å; R395-E412 IonicContact CZ-OE2 2.8Å; R395-E412 IonicContact NE-OE1 3.36Å; R395-E412 PolarHBondContact NE-OE1 3.04Å; R395-E412 IonicContact NE-OE2 3.43Å; R395-E412 IonicContact NH2-OE1 2.85Å; R395-E412 PolarHBondContact NH2-OE1 2.93Å; R395-E412 VanDerWaalsContact NH2-OE1 3.13Å; R395-E412 IonicContact NH2-OE2 3.99Å; R395-E412 PolarHBondContact NH2-OE2 2.86Å; L408-E412 HydrophobicContact CD1-CG 3.94Å; L408-E412 HydrophobicContact CG-CG 4.06Å; L408-E412 WeakPolarHBondContact O-CG 3.43Å; L408-E412 PolarHBondContact O-N 2.97Å; E412-K455 PolarHBondContact O-NZ 3.29Å
413	K	97.7	Very high	98.1	Very high	64 Å²	64	28.4 Å²	28.4	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.7	179.1	-57.3	170.1	179.9	165	0	114	M328 S331 D409 I411	M328-K413 HydrophobicContact CE-CD 3.94Å; M328-K413 HydrophobicContact CE-CG 3.96Å; M328-K413 HydrophobicContact CG-CB 4.33Å; M328-K413 HydrophobicContact CG-CG 4.09Å; M328-K413 HydrophobicContact SD-CG 4.24Å; S331-K413 WeakPolarHBondContact CB-O 3.39Å; S331-K413 PolarHBondContact OG-O 3.47Å; D409-K413 HydrophobicContact CB-CD 4.27Å; D409-K413 WeakPolarHBondContact O-CB 3.41Å; D409-K413 VanDerWaalsContact O-CG 3.25Å; D409-K413 WeakPolarHBondContact O-CG 3.43Å; D409-K413 PolarHBondContact O-N 3.18Å; D409-K413 WeakPolarHBondContact OD1-CE 3.04Å; D409-K413 IonicContact OD1-NZ 2.78Å; D409-K413 PolarHBondContact OD1-NZ 3.48Å; D409-K413 IonicContact OD2-NZ 2.71Å; D409-K413 PolarHBondContact OD2-NZ 2.77Å; I411-K413 VanDerWaalsContact C-N 3.28Å; I411-K413 PolarHBondContact O-N 2.88Å
414	A	98.6	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-60	153.3	176.5	0	0	0	0	0	111.7	N313 A335 A410 I411 F416 K455	N313-A414 WeakPolarHBondContact CA-O 3.43Å; A335-A414 HydrophobicContact CB-CB 3.81Å; A410-A414 WeakPolarHBondContact O-CB 3.44Å; A410-A414 PolarHBondContact O-N 3.23Å; I411-A414 VanDerWaalsContact O-CB 3.27Å; I411-A414 WeakPolarHBondContact O-CB 3.43Å; I411-A414 PolarHBondContact O-N 2.88Å; I411-A414 VanDerWaalsContact O-N 3.1Å; A414-F416 VanDerWaalsContact C-N 3.31Å; A414-F416 PolarHBondContact O-N 2.72Å; A414-K455 WeakPolarHBondContact O-CE 3.16Å; A414-K455 PolarHBondContact O-NZ 3.34Å
415	A	98.4	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-62.1	-41.2	176.8	0	0	0	0	0	112.2	F312 N313 S331 H333 I334	F312-A415 WeakPolarHBondContact CA-O 3.25Å; N313-A415 PolarHBondContact N-O 2.75Å; N313-A415 WeakPolarHBondContact OD1-CA 3.39Å; S331-A415 PolarHBondContact OG-N 3.44Å; H333-A415 WeakPolarHBondContact O-CB 3.43Å; H333-A415 PolarHBondContact O-N 3.19Å; I334-A415 HydrophobicContact CG2-CB 4.33Å
416	F	98.8	Very high	97.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-162.2	171.9	172.2	57	-84.6	0	0	0	108.1	V277 I280 M281 F312 I334 A335 A414 V418 F457 L459	V277-F416 HydrophobicContact CB-CZ 4.43Å; V277-F416 HydrophobicContact CG1-CZ 4.04Å; V277-F416 HydrophobicContact CG2-CE2 4.22Å; V277-F416 HydrophobicContact CG2-CZ 4.27Å; I280-F416 HydrophobicContact CB-CE1 4.2Å; I280-F416 HydrophobicContact CB-CZ 4.02Å; I280-F416 HydrophobicContact CD1-CE2 4Å; I280-F416 HydrophobicContact CD1-CZ 4.12Å; I280-F416 HydrophobicContact CG2-CD1 3.84Å; I280-F416 HydrophobicContact CG2-CE1 3.37Å; I280-F416 HydrophobicContact CG2-CE2 4.3Å; I280-F416 HydrophobicContact CG2-CG 4.48Å; I280-F416 HydrophobicContact CG2-CZ 3.62Å; M281-F416 HydrophobicContact CG-CE1 4.33Å; M281-F416 HydrophobicContact SD-CE1 3.93Å; F312-F416 HydrophobicContact CD1-CD1 4.11Å; F312-F416 HydrophobicContact CE1-CD1 4.13Å; I334-F416 HydrophobicContact CG2-CD1 3.91Å; I334-F416 HydrophobicContact CG2-CD2 4.4Å; I334-F416 HydrophobicContact CG2-CE1 3.56Å; I334-F416 HydrophobicContact CG2-CE2 4.11Å; I334-F416 HydrophobicContact CG2-CG 4.32Å; I334-F416 HydrophobicContact CG2-CZ 3.69Å; A335-F416 PolarHBondContact N-O 3.48Å; A414-F416 VanDerWaalsContact C-N 3.31Å; A414-F416 PolarHBondContact O-N 2.72Å; F416-V418 HydrophobicContact CD2-CG2 3.88Å; F416-V418 HydrophobicContact CE2-CG2 3.55Å; F416-F457 HydrophobicContact CB-CD1 4.38Å; F416-F457 HydrophobicContact CB-CD2 4.19Å; F416-F457 HydrophobicContact CB-CE1 3.76Å; F416-F457 HydrophobicContact CB-CE2 3.55Å; F416-F457 HydrophobicContact CB-CZ 3.3Å; F416-F457 HydrophobicContact CD1-CZ 4Å; F416-F457 AromaticContact CD2-CE2 3.87Å; F416-F457 HydrophobicContact CD2-CE2 3.87Å; F416-F457 HydrophobicContact CD2-CZ 4.18Å; F416-F457 HydrophobicContact CG-CE1 4.48Å; F416-F457 AromaticContact CG-CE2 3.75Å; F416-F457 HydrophobicContact CG-CE2 3.75Å; F416-F457 AromaticContact CG-CZ 3.59Å; F416-F457 HydrophobicContact CG-CZ 3.59Å; F416-L459 HydrophobicContact CD2-CB 4.46Å; F416-L459 HydrophobicContact CE2-CB 4.45Å; F416-L459 HydrophobicContact CE2-CD2 4.44Å
417	F	98.9	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.7	-180	-165	-93.2	0	0	0	110.4	A335 F342 I411 W452 K455 F457 N458 L459	A335-F417 HydrophobicContact CB-CD2 3.73Å; A335-F417 HydrophobicContact CB-CE2 4.06Å; A335-F417 CarbonylContact O-C 3.56Å; A335-F417 WeakPolarHBondContact O-CA 3.09Å; F342-F417 HydrophobicContact CD1-CE2 4.19Å; F342-F417 HydrophobicContact CD1-CZ 4.08Å; F342-F417 HydrophobicContact CE1-CE2 4.29Å; F342-F417 AromaticContact CE1-CZ 3.93Å; F342-F417 HydrophobicContact CE1-CZ 3.93Å; I411-F417 HydrophobicContact CG2-CD2 3.94Å; I411-F417 HydrophobicContact CG2-CE2 3.93Å; F417-W452 HydrophobicContact CB-CB 4.45Å; F417-W452 HydrophobicContact CD1-CB 4.06Å; F417-W452 HydrophobicContact CD2-CB 3.71Å; F417-W452 HydrophobicContact CD2-CG 4.36Å; F417-W452 HydrophobicContact CE1-CB 4.15Å; F417-W452 HydrophobicContact CE2-CB 3.81Å; F417-W452 HydrophobicContact CE2-CE3 4.46Å; F417-W452 HydrophobicContact CE2-CG 4.38Å; F417-W452 HydrophobicContact CG-CB 3.83Å; F417-W452 HydrophobicContact CZ-CB 4.01Å; F417-K455 HydrophobicContact CB-CB 4.15Å; F417-K455 HydrophobicContact CB-CD 4.43Å; F417-K455 HydrophobicContact CB-CG 3.87Å; F417-F457 PolarHBondContact N-O 2.75Å; F417-N458 WeakPolarHBondContact CB-OD1 3.2Å; F417-N458 WeakPolarHBondContact CD1-OD1 3.47Å; F417-N458 CarbonylContact O-C 3.6Å; F417-N458 WeakPolarHBondContact O-CA 3.33Å; F417-L459 PolarHBondContact O-N 2.78Å
418	V	98.9	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.9	177.3	-177.3	0	0	0	0	109.3	V277 I334 A335 V336 Y337 F416 L420 L459	V277-V418 HydrophobicContact CG2-CG2 4.15Å; I334-V418 HydrophobicContact CD1-CG2 3.88Å; A335-V418 PolarHBondContact O-N 3.29Å; V336-V418 CarbonylContact C-O 3.52Å; V336-V418 VanDerWaalsContact CA-O 3.27Å; V336-V418 WeakPolarHBondContact CA-O 3.24Å; V336-V418 HydrophobicContact CG1-CB 4.35Å; V336-V418 HydrophobicContact CG1-CG1 4.44Å; V336-V418 HydrophobicContact CG2-CB 4.16Å; Y337-V418 PolarHBondContact N-O 3.37Å; F416-V418 HydrophobicContact CD2-CG2 3.88Å; F416-V418 HydrophobicContact CE2-CG2 3.55Å; V418-L420 HydrophobicContact CG1-CD2 4.23Å; V418-L459 CarbonylContact C-O 3.57Å; V418-L459 VanDerWaalsContact CA-O 3.27Å; V418-L459 WeakPolarHBondContact CA-O 3.41Å; V418-L459 HydrophobicContact CG1-CD2 4.44Å; V418-L459 HydrophobicContact CG2-CB 4.34Å; V418-L459 HydrophobicContact CG2-CD2 4.35Å
419	S	98.7	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.6	174.5	-49.7	0	0	0	0	108.4	D421 D450 L459 V461	S419-D421 PolarHBondContact O-N 2.94Å; S419-D450 WeakPolarHBondContact CB-O 3.3Å; S419-D450 PolarHBondContact OG-O 3.33Å; S419-L459 PolarHBondContact N-O 2.91Å; S419-V461 PolarHBondContact O-N 3.24Å
420	L	98.8	Very high	96.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	90.9	169.5	-60.9	179.3	0	0	0	107	Q269 A273 V336 Y337 H338 M363 I366 L367 V418 V461	Q269-L420 HydrophobicContact CG-CD2 4.29Å; Q269-L420 VanDerWaalsContact NE2-C 3.35Å; A273-L420 HydrophobicContact CB-CD2 4.03Å; V336-L420 HydrophobicContact CG1-CD1 3.86Å; V336-L420 HydrophobicContact CG1-CG 3.9Å; Y337-L420 PolarHBondContact O-N 3.3Å; H338-L420 HydrophobicContact CB-CB 4.12Å; H338-L420 PolarHBondContact ND1-O 3.12Å; M363-L420 HydrophobicContact CB-CD1 4.26Å; M363-L420 HydrophobicContact SD-CD1 4.03Å; M363-L420 HydrophobicContact SD-CD2 4.46Å; I366-L420 HydrophobicContact CB-CD1 4.32Å; I366-L420 HydrophobicContact CG2-CD1 3.95Å; L367-L420 HydrophobicContact CD2-CB 4.13Å; L367-L420 HydrophobicContact CD2-CD1 3.97Å; L367-L420 HydrophobicContact CG-CD1 4.14Å; V418-L420 HydrophobicContact CG1-CD2 4.23Å; L420-V461 HydrophobicContact CD2-CB 4.31Å
421	D	98.3	Very high	96.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.027	19%	0.194	C	C	.	.			trans	-74.7	136.7	-174	-155.8	-66.1	0	0	0	110.7	Q269 S419 T423 R451 I460 V461 Y462 K463	Q269-D421 PolarHBondContact NE2-O 3.29Å; S419-D421 PolarHBondContact O-N 2.94Å; D421-T423 VanDerWaalsContact C-N 3.32Å; D421-T423 VanDerWaalsContact OD1-CB 3.31Å; D421-T423 WeakPolarHBondContact OD1-CB 3.47Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.48Å; D421-T423 PolarHBondContact OD1-N 3.41Å; D421-T423 PolarHBondContact OD1-OG1 3.09Å; D421-R451 IonicContact OD2-CZ 3.23Å; D421-R451 VanDerWaalsContact OD2-CZ 3.32Å; D421-R451 IonicContact OD2-NH1 3.28Å; D421-R451 PolarHBondContact OD2-NH1 2.71Å; D421-R451 IonicContact OD2-NH2 3.77Å; D421-R451 PolarHBondContact OD2-NH2 2.76Å; D421-I460 HydrophobicContact CB-CG2 4.42Å; D421-V461 PolarHBondContact N-O 3.45Å; D421-Y462 HydrophobicContact CB-CD1 3.74Å; D421-Y462 HydrophobicContact CB-CE1 4.07Å; D421-Y462 HydrophobicContact CB-CG 4.47Å; D421-K463 PolarHBondContact O-N 2.72Å
422	D	96.6	Very high	95.9	Very high	60 Å²	60	42.1 Å²	42.1	32%	0.321	22%	0.217	S	C	.	.	S	Bend	trans	-87.3	-3.6	180	61.2	-36.8	0	0	0	113.2	K339 K447	K339-D422 HydrophobicContact CG-CB 4.09Å; D422-K447 VanDerWaalsContact CG-NZ 3.29Å; D422-K447 IonicContact OD1-NZ 3.6Å; D422-K447 PolarHBondContact OD1-NZ 3.44Å; D422-K447 IonicContact OD2-NZ 2.64Å; D422-K447 PolarHBondContact OD2-NZ 3.42Å
423	T	97.3	Very high	95.7	Very high	43 Å²	43	44.7 Å²	44.7	26%	0.264	23%	0.232	S	C	.	.	S	Bend	trans	-91.1	167.6	170.7	71.5	0	0	0	0	111.9	D421 K463	D421-T423 VanDerWaalsContact C-N 3.32Å; D421-T423 VanDerWaalsContact OD1-CB 3.31Å; D421-T423 WeakPolarHBondContact OD1-CB 3.47Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.48Å; D421-T423 PolarHBondContact OD1-N 3.41Å; D421-T423 PolarHBondContact OD1-OG1 3.09Å; T423-K463 WeakPolarHBondContact O-CB 3.44Å; T423-K463 PolarHBondContact O-N 2.74Å
424	E	96.5	Very high	95.5	Very high	108 Å²	108	47.1 Å²	47.1	51%	0.505	25%	0.245	S	C	.	.			trans	-113.9	129.1	174.6	-66.7	-179.6	-161.1	0	0	108.7	K463 N464	E424-K463 HydrophobicContact CG-CB 3.85Å; E424-K463 HydrophobicContact CG-CD 4.27Å; E424-K463 HydrophobicContact CG-CG 4.38Å; E424-K463 IonicContact OE1-NZ 3.74Å; E424-N464 HydrophobicContact CB-CB 4.31Å; E424-N464 HydrophobicContact CG-CB 3.95Å
425	Q	95.8	Very high	95.4	Very high	35 Å²	35	47.9 Å²	47.9	16%	0.164	25%	0.25	C	C	.	.			trans	-131.6	140.4	173	-59	-61.2	-29.4	0	0	107.9	Y439 Y462 N464 T466	Q425-Y439 HydrophobicContact CB-CD2 3.57Å; Q425-Y439 HydrophobicContact CB-CE2 4.27Å; Q425-Y439 HydrophobicContact CB-CG 4.14Å; Q425-Y439 HydrophobicContact CG-CD2 4.29Å; Q425-Y462 HydrophobicContact CB-CD1 3.94Å; Q425-Y462 HydrophobicContact CB-CD2 4.01Å; Q425-Y462 HydrophobicContact CB-CE1 3.92Å; Q425-Y462 HydrophobicContact CB-CE2 4Å; Q425-Y462 HydrophobicContact CB-CG 3.98Å; Q425-Y462 HydrophobicContact CG-CD1 3.54Å; Q425-Y462 HydrophobicContact CG-CD2 4.4Å; Q425-Y462 HydrophobicContact CG-CE1 3.24Å; Q425-Y462 HydrophobicContact CG-CE2 4.18Å; Q425-Y462 HydrophobicContact CG-CG 4.12Å; Q425-N464 PolarHBondContact O-ND2 3.39Å; Q425-N464 PolarHBondContact O-OD1 3.07Å; Q425-T466 WeakPolarHBondContact O-CB 3.39Å; Q425-T466 WeakPolarHBondContact O-CG2 3.45Å; Q425-T466 PolarHBondContact O-OG1 2.63Å
426	R	92.3	Very high	95.3	Very high	70 Å²	70	48 Å²	48	26%	0.264	25%	0.25	S	S	.	.			trans	-171	156.3	176.6	-167.8	172.3	-81.9	-175.7	-4.2	108.9	F264 D428 S435 N464 T466	F264-R426 HydrophobicContact CD1-CG 4.13Å; F264-R426 VanDerWaalsContact CE1-CD 3.44Å; F264-R426 HydrophobicContact CE1-CG 3.35Å; F264-R426 HydrophobicContact CE2-CG 4.27Å; F264-R426 HydrophobicContact CZ-CG 3.41Å; F264-R426 VanDerWaalsContact CZ-CG 3.41Å; R426-D428 PolarHBondContact O-N 3.06Å; R426-S435 WeakPolarHBondContact O-CB 3.44Å; R426-N464 PolarHBondContact NH2-O 3.36Å; R426-T466 PolarHBondContact NE-OG1 3.44Å
427	Y	92	Very high	95.2	Very high	37 Å²	37	49.1 Å²	49.1	15%	0.145	26%	0.257	C	S	.	.			trans	-61.7	123.5	160	176.3	-103.8	0	0	0	110.6	Y262 A429 Q432 L436	Y262-Y427 AromaticContact CD1-CD1 3.9Å; Y262-Y427 HydrophobicContact CD1-CD1 3.9Å; Y262-Y427 AromaticContact CD1-CE1 3.92Å; Y262-Y427 HydrophobicContact CD1-CE1 3.92Å; Y262-Y427 AromaticContact CE1-CD1 3.81Å; Y262-Y427 HydrophobicContact CE1-CD1 3.81Å; Y262-Y427 AromaticContact CE1-CE1 3.54Å; Y262-Y427 HydrophobicContact CE1-CE1 3.54Å; Y262-Y427 HydrophobicContact CE1-CG 4.46Å; Y262-Y427 AromaticContact CE1-CZ 3.98Å; Y427-A429 HydrophobicContact CE1-CB 4.41Å; Y427-Q432 HydrophobicContact CE2-CB 3.85Å; Y427-Q432 HydrophobicContact CE2-CG 3.92Å; Y427-Q432 WeakPolarHBondContact OH-CG 3.42Å; Y427-Q432 PolarHBondContact OH-NE2 2.83Å; Y427-Q432 PolarHBondContact OH-OE1 3.48Å; Y427-L436 HydrophobicContact CD2-CD1 3.97Å; Y427-L436 HydrophobicContact CD2-CD2 3.79Å; Y427-L436 HydrophobicContact CD2-CG 3.79Å; Y427-L436 HydrophobicContact CE2-CD1 4.15Å; Y427-L436 HydrophobicContact CE2-CG 4.41Å; Y427-L436 HydrophobicContact CG-CD2 4.49Å
428	D	92.2	Very high	95.2	Very high	74 Å²	74	51.8 Å²	51.8	40%	0.396	28%	0.275	S	S	.	.			trans	-110.8	123.1	174.4	-174.2	-7.8	0	0	0	109.3	R426 D430 N431 Q432 S435	R426-D428 PolarHBondContact O-N 3.06Å; D428-D430 PolarHBondContact O-N 3.28Å; D428-D430 PolarHBondContact OD1-N 2.93Å; D428-N431 HydrophobicContact CB-CB 4.43Å; D428-N431 CarbonylContact O-C 3.5Å; D428-N431 VanDerWaalsContact O-C 3.23Å; D428-N431 PolarHBondContact O-N 3.02Å; D428-Q432 WeakPolarHBondContact O-CA 3.41Å; D428-Q432 WeakPolarHBondContact O-CG 3.32Å; D428-Q432 PolarHBondContact O-N 3.07Å; D428-S435 PolarHBondContact N-OG 2.95Å
429	A	89.5	Confident	95.1	Very high	61 Å²	61	52 Å²	52	50%	0.504	28%	0.275	S	S	.	.	S	Bend	trans	-65.4	-28.8	-179.1	0	0	0	0	0	112.7	Y427 Q432	Y427-A429 HydrophobicContact CE1-CB 4.41Å; A429-Q432 WeakPolarHBondContact O-CG 3.19Å; A429-Q432 PolarHBondContact O-NE2 3.37Å; A429-Q432 VanDerWaalsContact O-NE2 3.11Å
430	D	93.3	Very high	95.1	Very high	160 Å²	160	52 Å²	52	86%	0.856	28%	0.275	S	S	*	.	S	Bend	trans	-83.8	-18.9	179.6	-65.5	-33.4	0	0	0	112	D428	D428-D430 PolarHBondContact O-N 3.28Å; D428-D430 PolarHBondContact OD1-N 2.93Å
431	N	93.3	Very high	95	Very high	65 Å²	65	53.9 Å²	53.9	35%	0.348	28%	0.284	S	S	.	.	S	Bend	trans	-138.2	55.3	179.9	-166.7	7.9	0	0	0	112.2	D428 V433 Q434 S435	D428-N431 HydrophobicContact CB-CB 4.43Å; D428-N431 CarbonylContact O-C 3.5Å; D428-N431 VanDerWaalsContact O-C 3.23Å; D428-N431 PolarHBondContact O-N 3.02Å; N431-V433 PolarHBondContact O-N 2.99Å; N431-Q434 PolarHBondContact ND2-OE1 2.92Å; N431-Q434 VanDerWaalsContact OD1-CB 3.23Å; N431-Q434 WeakPolarHBondContact OD1-CB 3.32Å; N431-S435 WeakPolarHBondContact O-CB 3.36Å; N431-S435 PolarHBondContact O-N 3.36Å; N431-S435 PolarHBondContact O-OG 3.48Å
432	Q	89.9	Confident	95	Very high	100 Å²	100	54.3 Å²	54.3	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-46.4	-167.4	-56.7	-174.1	12	0	0	113.5	Y427 D428 A429 S435 L436	Y427-Q432 HydrophobicContact CE2-CB 3.85Å; Y427-Q432 HydrophobicContact CE2-CG 3.92Å; Y427-Q432 WeakPolarHBondContact OH-CG 3.42Å; Y427-Q432 PolarHBondContact OH-NE2 2.83Å; Y427-Q432 PolarHBondContact OH-OE1 3.48Å; D428-Q432 WeakPolarHBondContact O-CA 3.41Å; D428-Q432 WeakPolarHBondContact O-CG 3.32Å; D428-Q432 PolarHBondContact O-N 3.07Å; A429-Q432 WeakPolarHBondContact O-CG 3.19Å; A429-Q432 PolarHBondContact O-NE2 3.37Å; A429-Q432 VanDerWaalsContact O-NE2 3.11Å; Q432-S435 PolarHBondContact O-OG 3.44Å; Q432-L436 WeakPolarHBondContact O-CG 3.31Å; Q432-L436 PolarHBondContact O-N 3.36Å
433	V	93	Very high	95	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-68.7	-58.5	-175.3	176.7	0	0	0	0	110.4	N431 S435 L436 D437	N431-V433 PolarHBondContact O-N 2.99Å; V433-S435 VanDerWaalsContact C-N 3.3Å; V433-S435 PolarHBondContact O-N 2.91Å; V433-L436 PolarHBondContact O-N 3.31Å; V433-D437 WeakPolarHBondContact CG1-OD2 3.47Å; V433-D437 WeakPolarHBondContact O-CB 3.27Å; V433-D437 PolarHBondContact O-N 3.27Å
434	Q	95.4	Very high	95.1	Very high	115 Å²	115	49.5 Å²	49.5	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-37.2	-174.9	-169.1	179.7	17.2	0	0	111.7	N431 L436 D437 C438	N431-Q434 PolarHBondContact ND2-OE1 2.92Å; N431-Q434 VanDerWaalsContact OD1-CB 3.23Å; N431-Q434 WeakPolarHBondContact OD1-CB 3.32Å; Q434-L436 PolarHBondContact O-N 3.47Å; Q434-D437 PolarHBondContact O-N 2.99Å; Q434-C438 VanDerWaalsContact O-CB 3.27Å; Q434-C438 WeakPolarHBondContact O-CB 3.41Å; Q434-C438 PolarHBondContact O-N 2.81Å; Q434-C438 PolarHBondContact O-SG 3.11Å
435	S	96.1	Very high	95.2	Very high	15 Å²	15	45.2 Å²	45.2	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-40.4	179.8	66.1	0	0	0	0	112.5	R426 D428 N431 Q432 V433 Y439	R426-S435 WeakPolarHBondContact O-CB 3.44Å; D428-S435 PolarHBondContact N-OG 2.95Å; N431-S435 WeakPolarHBondContact O-CB 3.36Å; N431-S435 PolarHBondContact O-N 3.36Å; N431-S435 PolarHBondContact O-OG 3.48Å; Q432-S435 PolarHBondContact O-OG 3.44Å; V433-S435 VanDerWaalsContact C-N 3.3Å; V433-S435 PolarHBondContact O-N 2.91Å; S435-Y439 WeakPolarHBondContact O-CB 3.25Å; S435-Y439 PolarHBondContact O-N 2.82Å; S435-Y439 VanDerWaalsContact O-N 3.09Å
436	L	96.2	Very high	95.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-71.6	-41.2	174.8	-68.6	173.7	0	0	0	112.6	L261 Y427 Q432 V433 Q434 Y439 A440 I547 P549	L261-L436 HydrophobicContact CD2-CD2 3.75Å; Y427-L436 HydrophobicContact CD2-CD1 3.97Å; Y427-L436 HydrophobicContact CD2-CD2 3.79Å; Y427-L436 HydrophobicContact CD2-CG 3.79Å; Y427-L436 HydrophobicContact CE2-CD1 4.15Å; Y427-L436 HydrophobicContact CE2-CG 4.41Å; Y427-L436 HydrophobicContact CG-CD2 4.49Å; Q432-L436 WeakPolarHBondContact O-CG 3.31Å; Q432-L436 PolarHBondContact O-N 3.36Å; V433-L436 PolarHBondContact O-N 3.31Å; Q434-L436 PolarHBondContact O-N 3.47Å; L436-Y439 PolarHBondContact O-N 2.89Å; L436-A440 WeakPolarHBondContact O-CB 3.49Å; L436-A440 PolarHBondContact O-N 3.23Å; L436-I547 HydrophobicContact CB-CB 3.79Å; L436-I547 HydrophobicContact CB-CG1 4.12Å; L436-I547 HydrophobicContact CB-CG2 4.21Å; L436-I547 HydrophobicContact CD1-CB 4.36Å; L436-I547 HydrophobicContact CD1-CG2 4.17Å; L436-P549 HydrophobicContact CD1-CG 3.68Å
437	D	97	Very high	95.5	Very high	25 Å²	25	43.8 Å²	43.8	13%	0.134	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-43.9	-178.8	-65.7	-6.9	0	0	0	110.7	V433 Q434 A440 K441 C545 H546 I547	V433-D437 WeakPolarHBondContact CG1-OD2 3.47Å; V433-D437 WeakPolarHBondContact O-CB 3.27Å; V433-D437 PolarHBondContact O-N 3.27Å; Q434-D437 PolarHBondContact O-N 2.99Å; D437-A440 PolarHBondContact O-N 3.4Å; D437-K441 WeakPolarHBondContact O-CG 3.38Å; D437-K441 PolarHBondContact O-N 3.15Å; D437-K441 VanDerWaalsContact O-N 3.09Å; D437-C545 WeakPolarHBondContact CB-O 3.11Å; D437-H546 VanDerWaalsContact OD1-CA 3.24Å; D437-H546 WeakPolarHBondContact OD1-CA 3.45Å; D437-H546 IonicContact OD1-ND1 3.67Å; D437-H546 IonicContact OD2-ND1 3.19Å; D437-H546 PolarHBondContact OD2-ND1 3.22Å; D437-I547 PolarHBondContact OD1-N 3.38Å
438	C	97	Very high	95.8	Very high	56 Å²	56	42.1 Å²	42.1	38%	0.378	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-42.4	173.2	-73.2	0	0	0	0	112.1	Q434 K441 S442	Q434-C438 VanDerWaalsContact O-CB 3.27Å; Q434-C438 WeakPolarHBondContact O-CB 3.41Å; Q434-C438 PolarHBondContact O-N 2.81Å; Q434-C438 PolarHBondContact O-SG 3.11Å; C438-K441 PolarHBondContact O-N 2.98Å; C438-S442 VanDerWaalsContact O-CB 3.29Å; C438-S442 WeakPolarHBondContact O-CB 3.43Å; C438-S442 PolarHBondContact O-N 2.85Å
439	Y	97.8	Very high	96.1	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-41.6	178.6	178.3	-148.8	0	0	0	111.9	M258 D259 Q425 S435 L436 S442 L443 Y462 T466 M467	M258-Y439 HydrophobicContact CB-CE1 3.8Å; M258-Y439 HydrophobicContact CE-CD1 3.74Å; M258-Y439 HydrophobicContact CE-CE1 4.27Å; M258-Y439 HydrophobicContact CE-CG 4.1Å; M258-Y439 HydrophobicContact CG-CD1 4.04Å; M258-Y439 HydrophobicContact CG-CE1 3.57Å; M258-Y439 HydrophobicContact SD-CD1 3.64Å; M258-Y439 HydrophobicContact SD-CE1 3.68Å; D259-Y439 WeakPolarHBondContact CB-OH 3.27Å; D259-Y439 PolarHBondContact N-OH 3.37Å; Q425-Y439 HydrophobicContact CB-CD2 3.57Å; Q425-Y439 HydrophobicContact CB-CE2 4.27Å; Q425-Y439 HydrophobicContact CB-CG 4.14Å; Q425-Y439 HydrophobicContact CG-CD2 4.29Å; S435-Y439 WeakPolarHBondContact O-CB 3.25Å; S435-Y439 PolarHBondContact O-N 2.82Å; S435-Y439 VanDerWaalsContact O-N 3.09Å; L436-Y439 PolarHBondContact O-N 2.89Å; Y439-S442 PolarHBondContact O-N 3.45Å; Y439-L443 HydrophobicContact CD2-CD1 3.91Å; Y439-L443 HydrophobicContact CD2-CG 3.97Å; Y439-L443 HydrophobicContact CE1-CD1 4.46Å; Y439-L443 HydrophobicContact CE2-CD1 3.46Å; Y439-L443 VanDerWaalsContact CE2-CD1 3.46Å; Y439-L443 HydrophobicContact CE2-CD2 4.06Å; Y439-L443 HydrophobicContact CE2-CG 3.72Å; Y439-L443 WeakPolarHBondContact O-CG 3.34Å; Y439-L443 PolarHBondContact O-N 3.11Å; Y439-Y462 HydrophobicContact CD2-CE2 4.08Å; Y439-Y462 HydrophobicContact CE2-CD2 4.37Å; Y439-Y462 AromaticContact CE2-CE2 3.67Å; Y439-Y462 HydrophobicContact CE2-CE2 3.67Å; Y439-T466 HydrophobicContact CE1-CG2 4.4Å; Y439-T466 HydrophobicContact CE2-CG2 4.01Å; Y439-M467 PolarHBondContact OH-O 2.94Å
440	A	97.8	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-52	173.9	0	0	0	0	0	112.1	Y256 M258 L436 D437 S442 L443 L444 C545 I547	Y256-A440 HydrophobicContact CE2-CB 4.12Å; Y256-A440 WeakPolarHBondContact OH-CB 3.3Å; M258-A440 VanDerWaalsContact CE-CA 3.4Å; M258-A440 HydrophobicContact CE-CB 3.51Å; L436-A440 WeakPolarHBondContact O-CB 3.49Å; L436-A440 PolarHBondContact O-N 3.23Å; D437-A440 PolarHBondContact O-N 3.4Å; A440-S442 VanDerWaalsContact C-N 3.33Å; A440-S442 PolarHBondContact O-N 2.95Å; A440-L443 PolarHBondContact O-N 3.49Å; A440-L444 WeakPolarHBondContact O-CB 3.32Å; A440-L444 PolarHBondContact O-N 3Å; A440-C545 HydrophobicContact CB-CB 4.4Å; A440-I547 HydrophobicContact CB-CD1 3.75Å; A440-I547 HydrophobicContact CB-CG1 3.82Å
441	K	97.3	Very high	96.6	Very high	42 Å²	42	29.4 Å²	29.4	18%	0.183	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-45.1	177.4	-73.8	-171.2	-175.7	-162.1	0	111.9	D437 C438 L443 L444 H445 V543 C545 Y738	D437-K441 WeakPolarHBondContact O-CG 3.38Å; D437-K441 PolarHBondContact O-N 3.15Å; D437-K441 VanDerWaalsContact O-N 3.09Å; C438-K441 PolarHBondContact O-N 2.98Å; K441-L443 VanDerWaalsContact C-N 3.3Å; K441-L443 PolarHBondContact O-N 3.42Å; K441-L444 PolarHBondContact O-N 3.41Å; K441-L444 VanDerWaalsContact O-N 3.17Å; K441-H445 WeakPolarHBondContact CB-NE2 3.35Å; K441-H445 PolarHBondContact O-CD2 3.17Å; K441-H445 PolarHBondContact O-N 2.85Å; K441-H445 PolarHBondContact O-NE2 3.23Å; K441-V543 WeakPolarHBondContact CE-O 3.43Å; K441-V543 PolarHBondContact NZ-O 2.69Å; K441-C545 HydrophobicContact CG-CB 3.9Å; K441-Y738 PolarHBondContact NZ-OH 2.94Å
442	S	98.1	Very high	96.9	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-35.1	178.2	-177.2	0	0	0	0	113.3	C438 Y439 A440 G446 R451 Y462	C438-S442 VanDerWaalsContact O-CB 3.29Å; C438-S442 WeakPolarHBondContact O-CB 3.43Å; C438-S442 PolarHBondContact O-N 2.85Å; Y439-S442 PolarHBondContact O-N 3.45Å; A440-S442 VanDerWaalsContact C-N 3.33Å; A440-S442 PolarHBondContact O-N 2.95Å; S442-G446 WeakPolarHBondContact O-CA 3.47Å; S442-G446 PolarHBondContact O-N 3.42Å; S442-R451 PolarHBondContact O-NH2 3.21Å; S442-Y462 WeakPolarHBondContact CB-OH 3.03Å; S442-Y462 VanDerWaalsContact OG-CE1 3.27Å; S442-Y462 WeakPolarHBondContact OG-CE1 3.28Å; S442-Y462 PolarHBondContact OG-OH 2.9Å
443	L	98.4	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-77.5	-33.6	174.2	-69.4	174.5	0	0	0	113.3	Y256 A257 M258 Y439 A440 K441 I460 Y462 N470	Y256-L443 HydrophobicContact CD2-CB 3.85Å; Y256-L443 HydrophobicContact CD2-CD1 3.95Å; Y256-L443 HydrophobicContact CG-CB 3.9Å; A257-L443 WeakPolarHBondContact O-CD1 3.43Å; M258-L443 HydrophobicContact CB-CD1 4.35Å; M258-L443 HydrophobicContact CG-CD1 3.57Å; Y439-L443 HydrophobicContact CD2-CD1 3.91Å; Y439-L443 HydrophobicContact CD2-CG 3.97Å; Y439-L443 HydrophobicContact CE1-CD1 4.46Å; Y439-L443 HydrophobicContact CE2-CD1 3.46Å; Y439-L443 VanDerWaalsContact CE2-CD1 3.46Å; Y439-L443 HydrophobicContact CE2-CD2 4.06Å; Y439-L443 HydrophobicContact CE2-CG 3.72Å; Y439-L443 WeakPolarHBondContact O-CG 3.34Å; Y439-L443 PolarHBondContact O-N 3.11Å; A440-L443 PolarHBondContact O-N 3.49Å; K441-L443 VanDerWaalsContact C-N 3.3Å; K441-L443 PolarHBondContact O-N 3.42Å; L443-I460 HydrophobicContact CD2-CB 4.17Å; L443-I460 HydrophobicContact CD2-CD1 3.67Å; L443-I460 HydrophobicContact CD2-CG2 4.39Å; L443-Y462 HydrophobicContact CD2-CE2 4.02Å; L443-Y462 WeakPolarHBondContact CD2-OH 3.48Å; L443-N470 PolarHBondContact O-ND2 2.9Å; L443-N470 VanDerWaalsContact O-ND2 3.12Å
444	L	98.4	Very high	97.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-69.3	-52.5	179.1	-178.4	60.6	0	0	0	111.7	V251 Y256 A440 K441 N470 V543	V251-L444 HydrophobicContact CG2-CD2 4.38Å; V251-L444 HydrophobicContact CG2-CG 4.42Å; Y256-L444 HydrophobicContact CD1-CB 3.73Å; Y256-L444 HydrophobicContact CD1-CD1 3.93Å; Y256-L444 HydrophobicContact CD1-CG 4.35Å; Y256-L444 HydrophobicContact CE1-CB 4.01Å; Y256-L444 HydrophobicContact CE1-CD1 4.39Å; A440-L444 WeakPolarHBondContact O-CB 3.32Å; A440-L444 PolarHBondContact O-N 3Å; K441-L444 PolarHBondContact O-N 3.41Å; K441-L444 VanDerWaalsContact O-N 3.17Å; L444-N470 PolarHBondContact O-ND2 2.8Å; L444-V543 HydrophobicContact CD2-CG1 4.16Å
445	H	98.1	Very high	97.8	Very high	19 Å²	19	13.6 Å²	13.6	9%	0.088	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-12.5	-172.1	58.2	71.2	0	0	0	115.3	M250 V251 K441 K447 C448 F453 A540	M250-H445 HydrophobicContact CE-CB 3.67Å; M250-H445 HydrophobicContact CG-CB 3.68Å; M250-H445 HydrophobicContact SD-CB 3.44Å; M250-H445 WeakPolarHBondContact SD-CB 3.41Å; V251-H445 HydrophobicContact CG2-CB 4.38Å; K441-H445 WeakPolarHBondContact CB-NE2 3.35Å; K441-H445 PolarHBondContact O-CD2 3.17Å; K441-H445 PolarHBondContact O-N 2.85Å; K441-H445 PolarHBondContact O-NE2 3.23Å; H445-K447 PolarHBondContact O-N 3.41Å; H445-C448 WeakPolarHBondContact O-CA 3.27Å; H445-C448 PolarHBondContact O-N 3.39Å; H445-F453 WeakPolarHBondContact O-CZ 3.28Å; H445-A540 HydrophobicContact CB-CB 4.11Å
446	G	97.4	Very high	97.8	Very high	13 Å²	13	12.9 Å²	12.9	13%	0.134	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-137.2	-178.1	0	0	0	0	0	112.1	S442 C448	S442-G446 WeakPolarHBondContact O-CA 3.47Å; S442-G446 PolarHBondContact O-N 3.42Å; G446-C448 VanDerWaalsContact C-N 3.26Å
447	K	97.7	Very high	98	Very high	61 Å²	61	12.8 Å²	12.8	27%	0.265	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	8	173.3	-60.2	176.5	179.1	179.2	0	113.2	D422 H445 Y449 D450	D422-K447 VanDerWaalsContact CG-NZ 3.29Å; D422-K447 IonicContact OD1-NZ 3.6Å; D422-K447 PolarHBondContact OD1-NZ 3.44Å; D422-K447 IonicContact OD2-NZ 2.64Å; D422-K447 PolarHBondContact OD2-NZ 3.42Å; H445-K447 PolarHBondContact O-N 3.41Å; K447-Y449 HydrophobicContact CB-CD1 4.08Å; K447-Y449 HydrophobicContact CB-CE1 3.64Å; K447-Y449 HydrophobicContact CB-CE2 4.29Å; K447-Y449 HydrophobicContact CD-CE2 4.44Å; K447-Y449 WeakPolarHBondContact O-CD1 3.49Å; K447-Y449 WeakPolarHBondContact O-CE1 3.49Å; K447-Y449 PolarHBondContact O-N 3.38Å; K447-D450 HydrophobicContact CB-CB 4.42Å; K447-D450 PolarHBondContact N-OD1 2.92Å; K447-D450 PolarHBondContact N-OD2 2.83Å
448	C	98.4	Very high	98.1	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.02	6%	0.063	C	C	.	.	S	Bend	trans	68.5	2	-172.5	-49.5	0	0	0	0	115.7	M250 A382 A385 H445 G446 L533 A536 A540	M250-C448 HydrophobicContact SD-CB 4.17Å; A382-C448 WeakPolarHBondContact CA-O 3.38Å; A385-C448 VanDerWaalsContact CB-O 3.24Å; A385-C448 WeakPolarHBondContact CB-O 3.45Å; H445-C448 WeakPolarHBondContact O-CA 3.27Å; H445-C448 PolarHBondContact O-N 3.39Å; G446-C448 VanDerWaalsContact C-N 3.26Å; C448-L533 HydrophobicContact CB-CD1 3.88Å; C448-A536 HydrophobicContact CB-CB 3.77Å; C448-A540 VanDerWaalsContact SG-CB 3.55Å
449	Y	97.4	Very high	98.1	Very high	24 Å²	24	9 Å²	9	9%	0.094	5%	0.045	C	C	.	.	S	Bend	trans	-144.1	2.3	-179.4	60.7	-100.4	0	0	0	114.5	E378 K379 A381 K447 L533	E378-Y449 HydrophobicContact CG-CE2 4.25Å; E378-Y449 VanDerWaalsContact O-CD2 3.25Å; E378-Y449 WeakPolarHBondContact O-CD2 3.45Å; K379-Y449 HydrophobicContact CB-CG 4.42Å; K379-Y449 HydrophobicContact CG-CD1 4.33Å; K379-Y449 HydrophobicContact CG-CD2 4.44Å; K379-Y449 HydrophobicContact CG-CG 4.25Å; A381-Y449 VanDerWaalsContact CB-O 3.32Å; A381-Y449 WeakPolarHBondContact CB-O 3.17Å; K447-Y449 HydrophobicContact CB-CD1 4.08Å; K447-Y449 HydrophobicContact CB-CE1 3.64Å; K447-Y449 HydrophobicContact CB-CE2 4.29Å; K447-Y449 HydrophobicContact CD-CE2 4.44Å; K447-Y449 WeakPolarHBondContact O-CD1 3.49Å; K447-Y449 WeakPolarHBondContact O-CE1 3.49Å; K447-Y449 PolarHBondContact O-N 3.38Å; Y449-L533 HydrophobicContact CD1-CD1 3.75Å; Y449-L533 HydrophobicContact CD1-CD2 4.25Å
450	D	97.2	Very high	98.2	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.016	4%	0.044	C	C	.	.	S	Bend	trans	-105.9	12.9	-176.6	61	-19.6	0	0	0	112.5	Y337 S419 K447	Y337-D450 HydrophobicContact CD1-CB 4.13Å; Y337-D450 HydrophobicContact CE1-CB 3.49Å; Y337-D450 VanDerWaalsContact CE1-CB 3.49Å; S419-D450 WeakPolarHBondContact CB-O 3.3Å; S419-D450 PolarHBondContact OG-O 3.33Å; K447-D450 HydrophobicContact CB-CB 4.42Å; K447-D450 PolarHBondContact N-OD1 2.92Å; K447-D450 PolarHBondContact N-OD2 2.83Å
451	R	97.8	Very high	98.2	Very high	1 Å²	1	8.8 Å²	8.8	0%	0.004	4%	0.044	C	C	.	.	S	Bend	trans	-134.7	155.8	176.1	-50	-64.9	179.4	-100.2	-4.4	109.2	A381 D421 S442 F453	A381-R451 WeakPolarHBondContact CB-O 3.45Å; D421-R451 IonicContact OD2-CZ 3.23Å; D421-R451 VanDerWaalsContact OD2-CZ 3.32Å; D421-R451 IonicContact OD2-NH1 3.28Å; D421-R451 PolarHBondContact OD2-NH1 2.71Å; D421-R451 IonicContact OD2-NH2 3.77Å; D421-R451 PolarHBondContact OD2-NH2 2.76Å; S442-R451 PolarHBondContact O-NH2 3.21Å; R451-F453 HydrophobicContact CB-CD1 4.31Å; R451-F453 HydrophobicContact CB-CD2 4.36Å; R451-F453 HydrophobicContact CB-CE1 3.83Å; R451-F453 HydrophobicContact CB-CE2 3.91Å; R451-F453 HydrophobicContact CB-CZ 3.63Å; R451-F453 HydrophobicContact CG-CE1 4.07Å; R451-F453 HydrophobicContact CG-CE2 4.5Å; R451-F453 HydrophobicContact CG-CZ 3.82Å
452	W	98.7	Very high	98.3	Very high	3 Å²	3	6.8 Å²	6.8	1%	0.011	4%	0.035	C	C	.	.			trans	-105.1	88.5	169.6	-158.9	-89	0	0	0	109.3	F342 A381 T384 W391 L408 I411 F417 D454 K455 N458	F342-W452 HydrophobicContact CE1-CE3 4.16Å; F342-W452 HydrophobicContact CE1-CZ3 4.2Å; A381-W452 HydrophobicContact CB-CE3 3.81Å; A381-W452 HydrophobicContact CB-CZ3 4.07Å; T384-W452 HydrophobicContact CG2-CD2 3.87Å; T384-W452 HydrophobicContact CG2-CE3 4.21Å; T384-W452 HydrophobicContact CG2-CG 4.37Å; T384-W452 HydrophobicContact CG2-CH2 4.19Å; T384-W452 HydrophobicContact CG2-CZ2 3.83Å; T384-W452 HydrophobicContact CG2-CZ3 4.36Å; W391-W452 HydrophobicContact CZ2-CZ2 4.16Å; L408-W452 HydrophobicContact CD1-CH2 3.69Å; L408-W452 HydrophobicContact CD1-CZ2 3.42Å; L408-W452 VanDerWaalsContact CD1-CZ2 3.42Å; I411-W452 HydrophobicContact CD1-CE3 4.11Å; I411-W452 HydrophobicContact CD1-CH2 4.13Å; I411-W452 HydrophobicContact CD1-CZ3 3.81Å; I411-W452 HydrophobicContact CG2-CD2 3.5Å; I411-W452 HydrophobicContact CG2-CE3 3.97Å; I411-W452 HydrophobicContact CG2-CG 3.75Å; I411-W452 HydrophobicContact CG2-CZ2 4.12Å; I411-W452 HydrophobicContact CG2-CZ3 4.44Å; F417-W452 HydrophobicContact CB-CB 4.45Å; F417-W452 HydrophobicContact CD1-CB 4.06Å; F417-W452 HydrophobicContact CD2-CB 3.71Å; F417-W452 HydrophobicContact CD2-CG 4.36Å; F417-W452 HydrophobicContact CE1-CB 4.15Å; F417-W452 HydrophobicContact CE2-CB 3.81Å; F417-W452 HydrophobicContact CE2-CE3 4.46Å; F417-W452 HydrophobicContact CE2-CG 4.38Å; F417-W452 HydrophobicContact CG-CB 3.83Å; F417-W452 HydrophobicContact CZ-CB 4.01Å; W452-D454 PolarHBondContact O-N 3.06Å; W452-D454 VanDerWaalsContact O-N 3.09Å; W452-K455 HydrophobicContact CB-CB 4.38Å; W452-K455 VanDerWaalsContact O-CB 3.3Å; W452-K455 WeakPolarHBondContact O-CB 3.16Å; W452-K455 PolarHBondContact O-N 2.64Å; W452-N458 PolarHBondContact N-OD1 3.16Å; W452-N458 PolarHBondContact O-ND2 2.68Å; W452-N458 PolarHBondContact O-OD1 3.01Å
453	F	98.7	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	-169.5	-67	-71.8	0	0	0	114	I249 M250 N254 T384 A385 H445 R451 K455	I249-F453 HydrophobicContact CD1-CB 4.46Å; I249-F453 HydrophobicContact CG1-CB 4.44Å; M250-F453 HydrophobicContact CB-CD1 3.98Å; M250-F453 HydrophobicContact CB-CD2 4.25Å; M250-F453 HydrophobicContact CB-CE1 4.07Å; M250-F453 HydrophobicContact CB-CE2 4.32Å; M250-F453 HydrophobicContact CB-CG 4.08Å; M250-F453 HydrophobicContact CB-CZ 4.23Å; M250-F453 HydrophobicContact CG-CD1 3.89Å; M250-F453 HydrophobicContact CG-CD2 4.35Å; M250-F453 HydrophobicContact CG-CE1 3.45Å; M250-F453 VanDerWaalsContact CG-CE1 3.45Å; M250-F453 HydrophobicContact CG-CE2 3.94Å; M250-F453 HydrophobicContact CG-CG 4.33Å; M250-F453 HydrophobicContact CG-CZ 3.46Å; M250-F453 VanDerWaalsContact CG-CZ 3.46Å; M250-F453 HydrophobicContact SD-CD2 4.44Å; M250-F453 HydrophobicContact SD-CE1 4.12Å; M250-F453 HydrophobicContact SD-CE2 3.66Å; M250-F453 HydrophobicContact SD-CZ 3.47Å; M250-F453 WeakPolarHBondContact SD-CZ 3.47Å; N254-F453 PolarHBondContact ND2-O 3.31Å; T384-F453 PolarHBondContact OG1-N 3.02Å; A385-F453 HydrophobicContact CB-CD2 3.59Å; A385-F453 HydrophobicContact CB-CE2 3.59Å; H445-F453 WeakPolarHBondContact O-CZ 3.28Å; R451-F453 HydrophobicContact CB-CD1 4.31Å; R451-F453 HydrophobicContact CB-CD2 4.36Å; R451-F453 HydrophobicContact CB-CE1 3.83Å; R451-F453 HydrophobicContact CB-CE2 3.91Å; R451-F453 HydrophobicContact CB-CZ 3.63Å; R451-F453 HydrophobicContact CG-CE1 4.07Å; R451-F453 HydrophobicContact CG-CE2 4.5Å; R451-F453 HydrophobicContact CG-CZ 3.82Å; F453-K455 VanDerWaalsContact C-N 3.31Å
454	D	98.8	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.5	174	-73.7	-14.2	0	0	0	113.7	I249 T315 R316 R388 W391 W452	I249-D454 WeakPolarHBondContact CD1-OD1 3.45Å; T315-D454 CarbonylContact C-O 3.57Å; T315-D454 WeakPolarHBondContact CA-O 3.25Å; T315-D454 HydrophobicContact CG2-CB 3.9Å; R316-D454 HydrophobicContact CB-CB 4.43Å; R316-D454 PolarHBondContact N-O 2.89Å; R316-D454 VanDerWaalsContact O-CB 3.23Å; R316-D454 WeakPolarHBondContact O-CB 3.2Å; R316-D454 VanDerWaalsContact O-CG 3.25Å; R388-D454 IonicContact CZ-OD1 2.69Å; R388-D454 IonicContact NH1-OD1 3Å; R388-D454 PolarHBondContact NH1-OD1 2.99Å; R388-D454 IonicContact NH2-OD1 3.56Å; R388-D454 PolarHBondContact NH2-OD1 3.29Å; R388-D454 IonicContact NH2-OD2 3.25Å; W391-D454 PolarHBondContact NE1-OD2 3.3Å; W452-D454 PolarHBondContact O-N 3.06Å; W452-D454 VanDerWaalsContact O-N 3.09Å
455	K	98.8	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-72.4	143	-178.1	-161.6	74.7	-166.7	169.6	0	109.9	T315 I411 E412 A414 F417 W452 F453 F457 E472	T315-K455 PolarHBondContact OG1-NZ 2.89Å; I411-K455 PolarHBondContact O-NZ 3.01Å; E412-K455 PolarHBondContact O-NZ 3.29Å; A414-K455 WeakPolarHBondContact O-CE 3.16Å; A414-K455 PolarHBondContact O-NZ 3.34Å; F417-K455 HydrophobicContact CB-CB 4.15Å; F417-K455 HydrophobicContact CB-CD 4.43Å; F417-K455 HydrophobicContact CB-CG 3.87Å; W452-K455 HydrophobicContact CB-CB 4.38Å; W452-K455 VanDerWaalsContact O-CB 3.3Å; W452-K455 WeakPolarHBondContact O-CB 3.16Å; W452-K455 PolarHBondContact O-N 2.64Å; F453-K455 VanDerWaalsContact C-N 3.31Å; K455-F457 WeakPolarHBondContact CG-O 3.48Å; K455-F457 PolarHBondContact O-N 2.92Å; K455-E472 WeakPolarHBondContact O-CB 3.48Å
456	S	98.2	Very high	98.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.057	C	C	.	.	S	Bend	trans	-46.9	-42	176.2	57.3	0	0	0	0	113	L311 T314 A471 E472 W475	L311-S456 WeakPolarHBondContact O-CB 3.22Å; L311-S456 PolarHBondContact O-OG 2.87Å; T314-S456 PolarHBondContact O-N 2.56Å; T314-S456 VanDerWaalsContact O-N 3.1Å; T314-S456 PolarHBondContact O-OG 2.82Å; S456-A471 WeakPolarHBondContact O-CA 3.36Å; S456-E472 PolarHBondContact O-N 2.97Å; S456-W475 PolarHBondContact O-NE1 3.43Å; S456-W475 VanDerWaalsContact O-NE1 3.08Å
457	F	98.8	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	157.2	162.2	68.8	-83.9	0	0	0	112.6	I280 L311 F312 F416 F417 K455 L469 N470 A471 L484	I280-F457 HydrophobicContact CD1-CE2 4.38Å; I280-F457 HydrophobicContact CG2-CZ 4.09Å; L311-F457 HydrophobicContact CD1-CD1 4.02Å; L311-F457 HydrophobicContact CD1-CE1 4.06Å; L311-F457 HydrophobicContact CG-CE1 4.4Å; L311-F457 WeakPolarHBondContact O-CE1 3.49Å; F312-F457 AromaticContact CD1-CE1 3.88Å; F312-F457 HydrophobicContact CD1-CE1 3.88Å; F312-F457 HydrophobicContact CD1-CZ 4.02Å; F312-F457 AromaticContact CE1-CE1 3.79Å; F312-F457 HydrophobicContact CE1-CE1 3.79Å; F312-F457 AromaticContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CZ-CE1 4.48Å; F312-F457 HydrophobicContact CZ-CZ 4.42Å; F416-F457 HydrophobicContact CB-CD1 4.38Å; F416-F457 HydrophobicContact CB-CD2 4.19Å; F416-F457 HydrophobicContact CB-CE1 3.76Å; F416-F457 HydrophobicContact CB-CE2 3.55Å; F416-F457 HydrophobicContact CB-CZ 3.3Å; F416-F457 HydrophobicContact CD1-CZ 4Å; F416-F457 AromaticContact CD2-CE2 3.87Å; F416-F457 HydrophobicContact CD2-CE2 3.87Å; F416-F457 HydrophobicContact CD2-CZ 4.18Å; F416-F457 HydrophobicContact CG-CE1 4.48Å; F416-F457 AromaticContact CG-CE2 3.75Å; F416-F457 HydrophobicContact CG-CE2 3.75Å; F416-F457 AromaticContact CG-CZ 3.59Å; F416-F457 HydrophobicContact CG-CZ 3.59Å; F417-F457 PolarHBondContact N-O 2.75Å; K455-F457 WeakPolarHBondContact CG-O 3.48Å; K455-F457 PolarHBondContact O-N 2.92Å; F457-L469 HydrophobicContact CD2-CD2 4.08Å; F457-N470 CarbonylContact C-O 3.58Å; F457-N470 WeakPolarHBondContact CA-O 3.29Å; F457-N470 WeakPolarHBondContact CB-O 3.23Å; F457-A471 HydrophobicContact CB-CB 4.23Å; F457-L484 HydrophobicContact CE1-CD2 3.99Å; F457-L484 HydrophobicContact CE2-CD2 4.12Å; F457-L484 HydrophobicContact CZ-CD2 3.76Å
458	N	98.8	Very high	98.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.4	172.8	-62.1	-93.6	0	0	0	108.5	F417 W452 L469 N470	F417-N458 WeakPolarHBondContact CB-OD1 3.2Å; F417-N458 WeakPolarHBondContact CD1-OD1 3.47Å; F417-N458 CarbonylContact O-C 3.6Å; F417-N458 WeakPolarHBondContact O-CA 3.33Å; W452-N458 PolarHBondContact N-OD1 3.16Å; W452-N458 PolarHBondContact O-ND2 2.68Å; W452-N458 PolarHBondContact O-OD1 3.01Å; N458-L469 VanDerWaalsContact O-CA 3.3Å; N458-L469 WeakPolarHBondContact O-CA 3.39Å; N458-N470 HydrophobicContact CB-CB 4.27Å; N458-N470 PolarHBondContact N-O 3.04Å; N458-N470 PolarHBondContact O-N 3.09Å
459	L	98.9	Very high	98.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.3	163.8	173.7	68.4	0	0	0	108.5	A276 V277 I280 F416 F417 V418 S419 V461 L469 W485	A276-L459 HydrophobicContact CB-CD2 4.19Å; V277-L459 HydrophobicContact CG2-CD2 3.82Å; I280-L459 HydrophobicContact CD1-CB 4.45Å; I280-L459 HydrophobicContact CD1-CD1 4.37Å; I280-L459 HydrophobicContact CD1-CD2 3.89Å; I280-L459 HydrophobicContact CD1-CG 4.47Å; F416-L459 HydrophobicContact CD2-CB 4.46Å; F416-L459 HydrophobicContact CE2-CB 4.45Å; F416-L459 HydrophobicContact CE2-CD2 4.44Å; F417-L459 PolarHBondContact O-N 2.78Å; V418-L459 CarbonylContact C-O 3.57Å; V418-L459 VanDerWaalsContact CA-O 3.27Å; V418-L459 WeakPolarHBondContact CA-O 3.41Å; V418-L459 HydrophobicContact CG1-CD2 4.44Å; V418-L459 HydrophobicContact CG2-CB 4.34Å; V418-L459 HydrophobicContact CG2-CD2 4.35Å; S419-L459 PolarHBondContact N-O 2.91Å; L459-V461 HydrophobicContact CD1-CG2 4.46Å; L459-V461 HydrophobicContact CD2-CG2 4.15Å; L459-V461 HydrophobicContact CG-CG2 3.98Å; L459-L469 HydrophobicContact CB-CD2 4.29Å; L459-L469 HydrophobicContact CD1-CD2 3.97Å; L459-W485 HydrophobicContact CD1-CH2 4.09Å; L459-W485 HydrophobicContact CD1-CZ3 3.91Å
460	I	98.9	Very high	98.2	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.5	-179.8	-57.5	159.2	0	0	0	106.9	D421 L443 Y462 M467 G468 N470	D421-I460 HydrophobicContact CB-CG2 4.42Å; L443-I460 HydrophobicContact CD2-CB 4.17Å; L443-I460 HydrophobicContact CD2-CD1 3.67Å; L443-I460 HydrophobicContact CD2-CG2 4.39Å; I460-Y462 HydrophobicContact CG2-CD2 4.37Å; I460-Y462 HydrophobicContact CG2-CE1 4.12Å; I460-Y462 HydrophobicContact CG2-CE2 3.75Å; I460-M467 CarbonylContact O-C 3.46Å; I460-M467 WeakPolarHBondContact O-CA 3.49Å; I460-M467 VanDerWaalsContact O-CB 3.28Å; I460-M467 WeakPolarHBondContact O-CB 3.47Å; I460-G468 PolarHBondContact N-O 2.84Å; I460-G468 PolarHBondContact O-N 2.8Å; I460-N470 HydrophobicContact CD1-CB 4.13Å
461	V	98.8	Very high	98.2	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.2	177.2	-167.9	0	0	0	0	107.8	Q269 R272 A273 S419 L420 D421 L459 M467	Q269-V461 HydrophobicContact CG-CB 4.49Å; Q269-V461 HydrophobicContact CG-CG1 3.99Å; Q269-V461 PolarHBondContact NE2-O 2.84Å; R272-V461 HydrophobicContact CB-CG1 3.97Å; R272-V461 HydrophobicContact CG-CG1 4.03Å; A273-V461 HydrophobicContact CB-CG1 4.4Å; A273-V461 HydrophobicContact CB-CG2 4.1Å; S419-V461 PolarHBondContact O-N 3.24Å; L420-V461 HydrophobicContact CD2-CB 4.31Å; D421-V461 PolarHBondContact N-O 3.45Å; L459-V461 HydrophobicContact CD1-CG2 4.46Å; L459-V461 HydrophobicContact CD2-CG2 4.15Å; L459-V461 HydrophobicContact CG-CG2 3.98Å; V461-M467 HydrophobicContact CG2-CB 4.41Å
462	Y	98.6	Very high	98.2	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.			trans	-78.2	161.3	-179.3	-64.2	-79.5	0	0	0	111.6	Q269 D421 Q425 Y439 S442 L443 I460 N464 G465 T466	Q269-Y462 WeakPolarHBondContact CG-O 3.17Å; D421-Y462 HydrophobicContact CB-CD1 3.74Å; D421-Y462 HydrophobicContact CB-CE1 4.07Å; D421-Y462 HydrophobicContact CB-CG 4.47Å; Q425-Y462 HydrophobicContact CB-CD1 3.94Å; Q425-Y462 HydrophobicContact CB-CD2 4.01Å; Q425-Y462 HydrophobicContact CB-CE1 3.92Å; Q425-Y462 HydrophobicContact CB-CE2 4Å; Q425-Y462 HydrophobicContact CB-CG 3.98Å; Q425-Y462 HydrophobicContact CG-CD1 3.54Å; Q425-Y462 HydrophobicContact CG-CD2 4.4Å; Q425-Y462 HydrophobicContact CG-CE1 3.24Å; Q425-Y462 HydrophobicContact CG-CE2 4.18Å; Q425-Y462 HydrophobicContact CG-CG 4.12Å; Y439-Y462 HydrophobicContact CD2-CE2 4.08Å; Y439-Y462 HydrophobicContact CE2-CD2 4.37Å; Y439-Y462 AromaticContact CE2-CE2 3.67Å; Y439-Y462 HydrophobicContact CE2-CE2 3.67Å; S442-Y462 WeakPolarHBondContact CB-OH 3.03Å; S442-Y462 VanDerWaalsContact OG-CE1 3.27Å; S442-Y462 WeakPolarHBondContact OG-CE1 3.28Å; S442-Y462 PolarHBondContact OG-OH 2.9Å; L443-Y462 HydrophobicContact CD2-CE2 4.02Å; L443-Y462 WeakPolarHBondContact CD2-OH 3.48Å; I460-Y462 HydrophobicContact CG2-CD2 4.37Å; I460-Y462 HydrophobicContact CG2-CE1 4.12Å; I460-Y462 HydrophobicContact CG2-CE2 3.75Å; Y462-N464 WeakPolarHBondContact CB-OD1 3.33Å; Y462-N464 PolarHBondContact O-N 2.8Å; Y462-N464 VanDerWaalsContact O-N 3.15Å; Y462-G465 PolarHBondContact O-N 3.31Å; Y462-T466 HydrophobicContact CD2-CG2 4.32Å; Y462-T466 WeakPolarHBondContact CD2-O 3.42Å; Y462-T466 PolarHBondContact N-O 3.08Å
463	K	98	Very high	98.2	Very high	114 Å²	114	8.9 Å²	8.9	50%	0.496	4%	0.041	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.4	-176.4	-177.9	-175.4	172.8	-155.7	0	113.3	D421 T423 E424 G465	D421-K463 PolarHBondContact O-N 2.72Å; T423-K463 WeakPolarHBondContact O-CB 3.44Å; T423-K463 PolarHBondContact O-N 2.74Å; E424-K463 HydrophobicContact CG-CB 3.85Å; E424-K463 HydrophobicContact CG-CD 4.27Å; E424-K463 HydrophobicContact CG-CG 4.38Å; E424-K463 IonicContact OE1-NZ 3.74Å; K463-G465 VanDerWaalsContact C-N 3.31Å; K463-G465 PolarHBondContact O-N 3.37Å
464	N	96.8	Very high	98.1	Very high	21 Å²	21	8.9 Å²	8.9	11%	0.112	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	7.8	177.5	66.3	-3.4	0	0	0	114.3	S267 E424 Q425 R426 Y462 T466	S267-N464 WeakPolarHBondContact CA-O 3.44Å; S267-N464 CarbonylContact O-C 3.45Å; E424-N464 HydrophobicContact CB-CB 4.31Å; E424-N464 HydrophobicContact CG-CB 3.95Å; Q425-N464 PolarHBondContact O-ND2 3.39Å; Q425-N464 PolarHBondContact O-OD1 3.07Å; R426-N464 PolarHBondContact NH2-O 3.36Å; Y462-N464 WeakPolarHBondContact CB-OD1 3.33Å; Y462-N464 PolarHBondContact O-N 2.8Å; Y462-N464 VanDerWaalsContact O-N 3.15Å; N464-T466 VanDerWaalsContact C-N 3.32Å; N464-T466 PolarHBondContact O-N 3.27Å; N464-T466 WeakPolarHBondContact OD1-CB 3.29Å; N464-T466 PolarHBondContact OD1-N 2.81Å; N464-T466 VanDerWaalsContact OD1-N 3.14Å; N464-T466 PolarHBondContact OD1-OG1 3.09Å
465	G	96.8	Very high	97.9	Very high	2 Å²	2	9 Å²	9	2%	0.021	4%	0.042	C	C	.	.	S	Bend	trans	79.6	2.4	-179.8	0	0	0	0	0	115.3	R272 Y462 K463	R272-G465 WeakPolarHBondContact CD-O 3.28Å; R272-G465 WeakPolarHBondContact CG-O 3.44Å; R272-G465 PolarHBondContact NE-O 3.02Å; Y462-G465 PolarHBondContact O-N 3.31Å; K463-G465 VanDerWaalsContact C-N 3.31Å; K463-G465 PolarHBondContact O-N 3.37Å
466	T	97.2	Very high	97.7	Very high	2 Å²	2	9 Å²	9	1%	0.012	4%	0.042	C	C	.	.			trans	-66.7	146.1	164.7	-54.8	0	0	0	0	108.9	D259 Q425 R426 Y439 Y462 N464	D259-T466 HydrophobicContact CB-CG2 4.36Å; Q425-T466 WeakPolarHBondContact O-CB 3.39Å; Q425-T466 WeakPolarHBondContact O-CG2 3.45Å; Q425-T466 PolarHBondContact O-OG1 2.63Å; R426-T466 PolarHBondContact NE-OG1 3.44Å; Y439-T466 HydrophobicContact CE1-CG2 4.4Å; Y439-T466 HydrophobicContact CE2-CG2 4.01Å; Y462-T466 HydrophobicContact CD2-CG2 4.32Å; Y462-T466 WeakPolarHBondContact CD2-O 3.42Å; Y462-T466 PolarHBondContact N-O 3.08Å; N464-T466 VanDerWaalsContact C-N 3.32Å; N464-T466 PolarHBondContact O-N 3.27Å; N464-T466 WeakPolarHBondContact OD1-CB 3.29Å; N464-T466 PolarHBondContact OD1-N 2.81Å; N464-T466 VanDerWaalsContact OD1-N 3.14Å; N464-T466 PolarHBondContact OD1-OG1 3.09Å
467	M	97.3	Very high	97.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	-177.5	177.9	58.2	178.2	-173.2	0	0	113.3	D259 R272 A276 Y439 I460 V461 W485 V488 L489	D259-M467 HydrophobicContact CB-CG 4.09Å; D259-M467 WeakPolarHBondContact CB-O 3.44Å; D259-M467 WeakPolarHBondContact OD1-CE 3.46Å; D259-M467 VanDerWaalsContact OD2-CG 3.22Å; D259-M467 WeakPolarHBondContact OD2-CG 3.35Å; D259-M467 PolarHBondContact OD2-N 3.14Å; R272-M467 HydrophobicContact CG-SD 4.41Å; A276-M467 HydrophobicContact CB-SD 3.82Å; Y439-M467 PolarHBondContact OH-O 2.94Å; I460-M467 CarbonylContact O-C 3.46Å; I460-M467 WeakPolarHBondContact O-CA 3.49Å; I460-M467 VanDerWaalsContact O-CB 3.28Å; I460-M467 WeakPolarHBondContact O-CB 3.47Å; V461-M467 HydrophobicContact CG2-CB 4.41Å; M467-W485 HydrophobicContact CB-CH2 4.28Å; M467-W485 HydrophobicContact CE-CH2 3.83Å; M467-W485 HydrophobicContact CE-CZ2 4.17Å; M467-W485 HydrophobicContact CE-CZ3 4.44Å; M467-W485 HydrophobicContact CG-CH2 3.71Å; M467-W485 HydrophobicContact CG-CZ2 4.11Å; M467-W485 HydrophobicContact SD-CH2 3.73Å; M467-W485 HydrophobicContact SD-CZ2 4.49Å; M467-W485 HydrophobicContact SD-CZ3 4.38Å; M467-V488 HydrophobicContact CE-CG1 4.24Å; M467-L489 HydrophobicContact CE-CD2 3.5Å
468	G	97.9	Very high	97.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	179	172.6	0	0	0	0	0	111	A257 I460	A257-G468 CarbonylContact O-C 3.58Å; A257-G468 VanDerWaalsContact O-CA 3.27Å; A257-G468 WeakPolarHBondContact O-CA 2.99Å; I460-G468 PolarHBondContact N-O 2.84Å; I460-G468 PolarHBondContact O-N 2.8Å
469	L	98.2	Very high	97.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.7	179.7	-60.9	-178.5	0	0	0	111.9	Y256 A257 F457 N458 L459 V481 W485	Y256-L469 CarbonylContact C-O 3.41Å; Y256-L469 WeakPolarHBondContact CA-O 3.38Å; Y256-L469 WeakPolarHBondContact CB-O 3.43Å; A257-L469 HydrophobicContact CB-CB 4.28Å; A257-L469 PolarHBondContact N-O 2.92Å; A257-L469 PolarHBondContact O-N 3.25Å; F457-L469 HydrophobicContact CD2-CD2 4.08Å; N458-L469 VanDerWaalsContact O-CA 3.3Å; N458-L469 WeakPolarHBondContact O-CA 3.39Å; L459-L469 HydrophobicContact CB-CD2 4.29Å; L459-L469 HydrophobicContact CD1-CD2 3.97Å; L469-V481 HydrophobicContact CD1-CG1 3.64Å; L469-W485 HydrophobicContact CD1-CB 4.03Å; L469-W485 HydrophobicContact CD1-CD2 3.68Å; L469-W485 HydrophobicContact CD1-CE3 3.38Å; L469-W485 HydrophobicContact CD1-CG 3.99Å; L469-W485 HydrophobicContact CD1-CZ3 4.04Å; L469-W485 HydrophobicContact CD2-CE3 3.84Å; L469-W485 HydrophobicContact CD2-CH2 4.26Å; L469-W485 HydrophobicContact CD2-CZ3 3.59Å; L469-W485 HydrophobicContact CG-CD2 3.85Å; L469-W485 HydrophobicContact CG-CE3 3.46Å; L469-W485 VanDerWaalsContact CG-CE3 3.46Å; L469-W485 HydrophobicContact CG-CH2 4.09Å; L469-W485 HydrophobicContact CG-CZ2 4.45Å; L469-W485 HydrophobicContact CG-CZ3 3.6Å
470	N	98.6	Very high	97.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.4	159.1	179.9	-82.4	0	0	0	108.2	N254 Y255 L443 L444 F457 N458 I460	N254-N470 PolarHBondContact ND2-OD1 2.6Å; Y255-N470 CarbonylContact O-C 3.51Å; Y255-N470 WeakPolarHBondContact O-CA 3.38Å; L443-N470 PolarHBondContact O-ND2 2.9Å; L443-N470 VanDerWaalsContact O-ND2 3.12Å; L444-N470 PolarHBondContact O-ND2 2.8Å; F457-N470 CarbonylContact C-O 3.58Å; F457-N470 WeakPolarHBondContact CA-O 3.29Å; F457-N470 WeakPolarHBondContact CB-O 3.23Å; N458-N470 HydrophobicContact CB-CB 4.27Å; N458-N470 PolarHBondContact N-O 3.04Å; N458-N470 PolarHBondContact O-N 3.09Å; I460-N470 HydrophobicContact CD1-CB 4.13Å
471	A	98.4	Very high	96.9	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.1	-175.2	0	0	0	0	0	112.3	N254 Y255 S456 F457 V481	N254-A471 WeakPolarHBondContact CA-O 3.29Å; N254-A471 WeakPolarHBondContact CB-O 3.47Å; Y255-A471 HydrophobicContact CD2-CB 4.15Å; Y255-A471 HydrophobicContact CE1-CB 4.21Å; Y255-A471 HydrophobicContact CE2-CB 3.65Å; Y255-A471 PolarHBondContact N-O 3.46Å; Y255-A471 VanDerWaalsContact N-O 3.14Å; Y255-A471 PolarHBondContact O-N 2.95Å; S456-A471 WeakPolarHBondContact O-CA 3.36Å; F457-A471 HydrophobicContact CB-CB 4.23Å; A471-V481 HydrophobicContact CB-CG1 4.46Å; A471-V481 HydrophobicContact CB-CG2 4.01Å
472	E	98.3	Very high	96.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.064	C	C	.	.			trans	-73.9	134.5	170.2	-164.5	-73.3	138.1	0	0	109.4	I249 R316 K455 S456 S474 W475	I249-E472 HydrophobicContact CD1-CG 4.22Å; R316-E472 HydrophobicContact CB-CG 4.25Å; R316-E472 WeakPolarHBondContact CD-OE1 3.4Å; R316-E472 IonicContact NH1-OE1 3.96Å; R316-E472 PolarHBondContact NH1-OE1 3.19Å; K455-E472 WeakPolarHBondContact O-CB 3.48Å; S456-E472 PolarHBondContact O-N 2.97Å; E472-S474 VanDerWaalsContact CD-N 3.32Å; E472-S474 WeakPolarHBondContact OE1-CB 3.41Å; E472-S474 PolarHBondContact OE1-N 3.02Å; E472-S474 PolarHBondContact OE1-OG 2.86Å; E472-S474 WeakPolarHBondContact OE2-CB 3.35Å; E472-S474 PolarHBondContact OE2-N 3.13Å; E472-S474 VanDerWaalsContact OE2-N 3.11Å; E472-S474 PolarHBondContact OE2-OG 3.45Å; E472-W475 PolarHBondContact O-NE1 3.11Å
473	H	97.5	Very high	96.6	Very high	43 Å²	43	12.6 Å²	12.6	20%	0.199	7%	0.067	C	C	.	.	S	Bend	trans	-92	-19.2	-164.2	-161.2	-9.7	0	0	0	114.8	Y242 S253 Y255 W475 A476 D477 R600	Y242-H473 HydrophobicContact CD1-CB 4.34Å; Y242-H473 HydrophobicContact CE1-CB 3.96Å; Y242-H473 AromaticContact CE1-CG 3.76Å; S253-H473 VanDerWaalsContact O-CB 3.31Å; S253-H473 WeakPolarHBondContact O-CB 3.43Å; Y255-H473 HydrophobicContact CD1-CB 4.03Å; Y255-H473 AromaticContact CD1-CD2 3.85Å; Y255-H473 AromaticContact CD1-CG 3.8Å; Y255-H473 HydrophobicContact CE1-CB 3.93Å; Y255-H473 AromaticContact CE1-CG 3.66Å; Y255-H473 AromaticContact CE1-ND1 3.7Å; H473-W475 VanDerWaalsContact C-N 3.29Å; H473-W475 PolarHBondContact O-N 3.14Å; H473-A476 PolarHBondContact ND1-O 3.26Å; H473-A476 PolarHBondContact O-N 3.42Å; H473-D477 IonicContact CE1-OD1 2.95Å; H473-R600 PolarHBondContact O-NH2 3.04Å
474	S	96.6	Very high	96.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-61	-35.8	-172.6	72.3	0	0	0	0	113.1	Y242 L325 E472 R600	Y242-S474 VanDerWaalsContact CB-CB 3.42Å; L325-S474 VanDerWaalsContact CD2-OG 3.23Å; L325-S474 WeakPolarHBondContact CD2-OG 3.49Å; E472-S474 VanDerWaalsContact CD-N 3.32Å; E472-S474 WeakPolarHBondContact OE1-CB 3.41Å; E472-S474 PolarHBondContact OE1-N 3.02Å; E472-S474 PolarHBondContact OE1-OG 2.86Å; E472-S474 WeakPolarHBondContact OE2-CB 3.35Å; E472-S474 PolarHBondContact OE2-N 3.13Å; E472-S474 VanDerWaalsContact OE2-N 3.11Å; E472-S474 PolarHBondContact OE2-OG 3.45Å; S474-R600 PolarHBondContact O-NH1 3.16Å
475	W	94.5	Very high	96.4	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.015	4%	0.039	C	C	.	.	S	Bend	trans	-83.5	-28.5	-176.3	70.5	-85.7	0	0	0	114.7	Q307 R310 L311 L325 S456 E472 H473 I480 V481 R600	Q307-W475 WeakPolarHBondContact O-CZ3 3.37Å; R310-W475 HydrophobicContact CB-CB 4.07Å; R310-W475 HydrophobicContact CB-CD2 4.46Å; R310-W475 HydrophobicContact CB-CE3 3.97Å; L311-W475 VanDerWaalsContact CA-CZ3 3.42Å; L311-W475 HydrophobicContact CB-CH2 3.96Å; L311-W475 HydrophobicContact CB-CZ3 3.77Å; L311-W475 HydrophobicContact CD1-CH2 3.28Å; L311-W475 HydrophobicContact CD1-CZ2 3.89Å; L311-W475 HydrophobicContact CD1-CZ3 4.03Å; L311-W475 HydrophobicContact CG-CH2 4.19Å; L311-W475 HydrophobicContact CG-CZ3 4.5Å; L325-W475 HydrophobicContact CD1-CB 3.76Å; L325-W475 HydrophobicContact CD2-CB 4.34Å; S456-W475 PolarHBondContact O-NE1 3.43Å; S456-W475 VanDerWaalsContact O-NE1 3.08Å; E472-W475 PolarHBondContact O-NE1 3.11Å; H473-W475 VanDerWaalsContact C-N 3.29Å; H473-W475 PolarHBondContact O-N 3.14Å; W475-I480 HydrophobicContact CH2-CG2 4.06Å; W475-I480 HydrophobicContact CZ3-CG2 3.95Å; W475-V481 HydrophobicContact CH2-CG2 3.88Å; W475-V481 HydrophobicContact CZ2-CG2 3.73Å; W475-R600 PolarHBondContact O-NH1 2.99Å
476	A	95	Very high	96.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.			trans	-159	164.3	178.5	0	0	0	0	0	115.4	Y255 Q307 H473 I480 R600	Y255-A476 PolarHBondContact OH-O 3.36Å; Q307-A476 HydrophobicContact CB-CB 3.97Å; Q307-A476 HydrophobicContact CG-CB 4.49Å; Q307-A476 VanDerWaalsContact OE1-CA 3.24Å; H473-A476 PolarHBondContact ND1-O 3.26Å; H473-A476 PolarHBondContact O-N 3.42Å; A476-I480 HydrophobicContact CB-CB 4.09Å; A476-I480 HydrophobicContact CB-CG1 4.12Å; A476-I480 HydrophobicContact CB-CG2 4.35Å; A476-R600 VanDerWaalsContact C-NH2 3.29Å; A476-R600 PolarHBondContact O-NH2 3.26Å
477	D	96	Very high	96.1	Very high	13 Å²	13	7.3 Å²	7.3	7%	0.07	4%	0.042	C	C	.	.			trans	-89.2	156.9	174.8	-48.9	-48.4	0	0	0	111.8	Q307 H473 P479 I480 R600	Q307-D477 PolarHBondContact NE2-OD2 3.43Å; Q307-D477 PolarHBondContact OE1-OD2 3.17Å; H473-D477 IonicContact CE1-OD1 2.95Å; D477-P479 VanDerWaalsContact C-N 3.33Å; D477-P479 WeakPolarHBondContact O-CD 3.46Å; D477-P479 VanDerWaalsContact O-N 3.11Å; D477-I480 PolarHBondContact O-N 2.92Å; D477-R600 IonicContact OD1-CZ 2.78Å; D477-R600 IonicContact OD1-NE 2.9Å; D477-R600 PolarHBondContact OD1-NE 3.03Å; D477-R600 IonicContact OD1-NH2 3.37Å; D477-R600 PolarHBondContact OD1-NH2 2.95Å; D477-R600 WeakPolarHBondContact OD2-CA 3.37Å; D477-R600 IonicContact OD2-CZ 3.01Å; D477-R600 IonicContact OD2-NE 3.28Å; D477-R600 PolarHBondContact OD2-NE 2.92Å
478	A	94.8	Very high	96.1	Very high	19 Å²	19	7.3 Å²	7.3	16%	0.157	4%	0.042	C	C	.	.	H	α-helix	trans	-48.9	-37.3	-175.7	0	0	0	0	0	116	Y255 I480 V481 G482 T687	Y255-A478 HydrophobicContact CD2-CB 4.32Å; Y255-A478 HydrophobicContact CE2-CB 3.99Å; A478-I480 PolarHBondContact O-N 3.34Å; A478-I480 VanDerWaalsContact O-N 3.11Å; A478-V481 PolarHBondContact O-N 3.11Å; A478-G482 PolarHBondContact O-N 3.13Å; A478-T687 HydrophobicContact CB-CG2 4.28Å
479	P	94.6	Very high	95.9	Very high	21 Å²	21	7.6 Å²	7.6	14%	0.136	4%	0.044	C	C	.	.	H	α-helix	trans	-57.3	-29.1	177.7	-25.9	33.6	0	0	0	114.3	D477 H483 P688 Q691	D477-P479 VanDerWaalsContact C-N 3.33Å; D477-P479 WeakPolarHBondContact O-CD 3.46Å; D477-P479 VanDerWaalsContact O-N 3.11Å; P479-H483 PolarHBondContact O-N 3.03Å; P479-P688 HydrophobicContact CB-CG 4.15Å; P479-P688 HydrophobicContact CG-CG 4.15Å; P479-Q691 PolarHBondContact O-NE2 2.97Å; P479-Q691 PolarHBondContact O-OE1 3.18Å
480	I	95.4	Very high	95.6	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-72.2	-44.2	179.9	-54.5	-60.4	0	0	0	110.8	Q307 F308 W475 A476 D477 A478 H483 L484	Q307-I480 HydrophobicContact CB-CD1 3.99Å; Q307-I480 HydrophobicContact CB-CG1 3.72Å; Q307-I480 HydrophobicContact CG-CG1 4.47Å; F308-I480 HydrophobicContact CD1-CG2 4.06Å; F308-I480 HydrophobicContact CD2-CD1 4.01Å; F308-I480 HydrophobicContact CE1-CG2 4.23Å; F308-I480 HydrophobicContact CE2-CD1 3.63Å; F308-I480 HydrophobicContact CG-CG2 4.3Å; F308-I480 HydrophobicContact CZ-CD1 3.9Å; W475-I480 HydrophobicContact CH2-CG2 4.06Å; W475-I480 HydrophobicContact CZ3-CG2 3.95Å; A476-I480 HydrophobicContact CB-CB 4.09Å; A476-I480 HydrophobicContact CB-CG1 4.12Å; A476-I480 HydrophobicContact CB-CG2 4.35Å; D477-I480 PolarHBondContact O-N 2.92Å; A478-I480 PolarHBondContact O-N 3.34Å; A478-I480 VanDerWaalsContact O-N 3.11Å; I480-H483 PolarHBondContact O-N 2.96Å; I480-L484 PolarHBondContact O-N 3.39Å
481	V	95.9	Very high	95.3	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-68.7	-40.3	174.7	177	0	0	0	0	110.6	Y255 L469 A471 W475 A478 H483 L484 W485	Y255-V481 HydrophobicContact CE2-CB 4.13Å; Y255-V481 HydrophobicContact CE2-CG1 4.48Å; Y255-V481 HydrophobicContact CE2-CG2 4.12Å; Y255-V481 VanDerWaalsContact OH-CG2 3.22Å; Y255-V481 WeakPolarHBondContact OH-CG2 3.44Å; L469-V481 HydrophobicContact CD1-CG1 3.64Å; A471-V481 HydrophobicContact CB-CG1 4.46Å; A471-V481 HydrophobicContact CB-CG2 4.01Å; W475-V481 HydrophobicContact CH2-CG2 3.88Å; W475-V481 HydrophobicContact CZ2-CG2 3.73Å; A478-V481 PolarHBondContact O-N 3.11Å; V481-H483 VanDerWaalsContact C-N 3.29Å; V481-H483 PolarHBondContact O-N 2.82Å; V481-L484 WeakPolarHBondContact O-CB 3.22Å; V481-L484 PolarHBondContact O-N 3.49Å; V481-L484 VanDerWaalsContact O-N 3.07Å; V481-W485 WeakPolarHBondContact O-CB 3.2Å; V481-W485 PolarHBondContact O-N 3.08Å
482	G	94.6	Very high	95.1	Very high	9 Å²	9	9.6 Å²	9.6	9%	0.093	5%	0.054	C	C	.	.	H	α-helix	trans	-56.1	-41.1	174.1	0	0	0	0	0	112.7	A478 L484 W485 E486	A478-G482 PolarHBondContact O-N 3.13Å; G482-L484 PolarHBondContact O-N 3.38Å; G482-W485 PolarHBondContact O-N 3.1Å; G482-E486 WeakPolarHBondContact O-CG 3.28Å; G482-E486 PolarHBondContact O-N 3.26Å
483	H	95.4	Very high	94.8	Very high	10 Å²	10	11.7 Å²	11.7	5%	0.046	7%	0.067	C	C	.	.	H	α-helix	trans	-63.9	-40.5	175	-177	-49	0	0	0	112.6	Y283 F308 P479 I480 V481 W485 H487 V692	Y283-H483 AromaticContact CE2-CE1 3.67Å; Y283-H483 AromaticContact CE2-ND1 3.38Å; Y283-H483 WeakPolarHBondContact CE2-ND1 3.42Å; Y283-H483 AromaticContact CZ-ND1 3.65Å; Y283-H483 PolarHBondContact OH-ND1 3.4Å; F308-H483 HydrophobicContact CE1-CB 4.44Å; P479-H483 PolarHBondContact O-N 3.03Å; I480-H483 PolarHBondContact O-N 2.96Å; V481-H483 VanDerWaalsContact C-N 3.29Å; V481-H483 PolarHBondContact O-N 2.82Å; H483-W485 VanDerWaalsContact C-N 3.32Å; H483-H487 PolarHBondContact O-N 3.46Å; H483-V692 WeakPolarHBondContact NE2-CG1 3.13Å
484	L	96.2	Very high	94.6	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-46.6	172.4	168.3	64.2	0	0	0	109.8	I280 Y283 L311 F312 F457 I480 V481 G482 H487 V488	I280-L484 HydrophobicContact CG1-CD1 4.46Å; Y283-L484 HydrophobicContact CD1-CD1 3.56Å; Y283-L484 HydrophobicContact CD2-CD1 4.08Å; Y283-L484 HydrophobicContact CE1-CB 4.39Å; Y283-L484 HydrophobicContact CE1-CD1 4.08Å; Y283-L484 HydrophobicContact CG-CD1 3.55Å; L311-L484 HydrophobicContact CD1-CD2 4.02Å; L311-L484 HydrophobicContact CD2-CB 4.24Å; L311-L484 HydrophobicContact CD2-CD2 4.23Å; L311-L484 HydrophobicContact CG-CD2 4.45Å; F312-L484 HydrophobicContact CZ-CD1 4.15Å; F312-L484 HydrophobicContact CZ-CD2 4.27Å; F457-L484 HydrophobicContact CE1-CD2 3.99Å; F457-L484 HydrophobicContact CE2-CD2 4.12Å; F457-L484 HydrophobicContact CZ-CD2 3.76Å; I480-L484 PolarHBondContact O-N 3.39Å; V481-L484 WeakPolarHBondContact O-CB 3.22Å; V481-L484 PolarHBondContact O-N 3.49Å; V481-L484 VanDerWaalsContact O-N 3.07Å; G482-L484 PolarHBondContact O-N 3.38Å; L484-H487 VanDerWaalsContact O-CB 3.29Å; L484-H487 WeakPolarHBondContact O-CB 3.44Å; L484-H487 PolarHBondContact O-N 2.82Å; L484-H487 VanDerWaalsContact O-N 3.09Å; L484-V488 HydrophobicContact CD1-CG2 4.11Å; L484-V488 HydrophobicContact CG-CG2 4.45Å; L484-V488 WeakPolarHBondContact O-CG2 3.49Å; L484-V488 PolarHBondContact O-N 2.99Å
485	W	95.7	Very high	94.5	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.019	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-44.7	-173.5	-163.4	-127.6	0	0	0	113	M258 L459 M467 L469 V481 G482 H483 H487 V488 L489	M258-W485 PolarHBondContact O-NE1 3.03Å; L459-W485 HydrophobicContact CD1-CH2 4.09Å; L459-W485 HydrophobicContact CD1-CZ3 3.91Å; M467-W485 HydrophobicContact CB-CH2 4.28Å; M467-W485 HydrophobicContact CE-CH2 3.83Å; M467-W485 HydrophobicContact CE-CZ2 4.17Å; M467-W485 HydrophobicContact CE-CZ3 4.44Å; M467-W485 HydrophobicContact CG-CH2 3.71Å; M467-W485 HydrophobicContact CG-CZ2 4.11Å; M467-W485 HydrophobicContact SD-CH2 3.73Å; M467-W485 HydrophobicContact SD-CZ2 4.49Å; M467-W485 HydrophobicContact SD-CZ3 4.38Å; L469-W485 HydrophobicContact CD1-CB 4.03Å; L469-W485 HydrophobicContact CD1-CD2 3.68Å; L469-W485 HydrophobicContact CD1-CE3 3.38Å; L469-W485 HydrophobicContact CD1-CG 3.99Å; L469-W485 HydrophobicContact CD1-CZ3 4.04Å; L469-W485 HydrophobicContact CD2-CE3 3.84Å; L469-W485 HydrophobicContact CD2-CH2 4.26Å; L469-W485 HydrophobicContact CD2-CZ3 3.59Å; L469-W485 HydrophobicContact CG-CD2 3.85Å; L469-W485 HydrophobicContact CG-CE3 3.46Å; L469-W485 VanDerWaalsContact CG-CE3 3.46Å; L469-W485 HydrophobicContact CG-CH2 4.09Å; L469-W485 HydrophobicContact CG-CZ2 4.45Å; L469-W485 HydrophobicContact CG-CZ3 3.6Å; V481-W485 WeakPolarHBondContact O-CB 3.2Å; V481-W485 PolarHBondContact O-N 3.08Å; G482-W485 PolarHBondContact O-N 3.1Å; H483-W485 VanDerWaalsContact C-N 3.32Å; W485-H487 PolarHBondContact O-N 2.76Å; W485-V488 HydrophobicContact CE3-CB 4.15Å; W485-V488 HydrophobicContact CE3-CG1 4.32Å; W485-V488 HydrophobicContact CZ3-CB 4.41Å; W485-V488 HydrophobicContact CZ3-CG1 4.07Å; W485-V488 PolarHBondContact O-N 2.8Å; W485-V488 VanDerWaalsContact O-N 3.09Å; W485-L489 HydrophobicContact CD2-CG 4.33Å; W485-L489 HydrophobicContact CG-CD1 4.29Å; W485-L489 HydrophobicContact CG-CG 4.45Å; W485-L489 HydrophobicContact CZ2-CD2 4.2Å; W485-L489 WeakPolarHBondContact O-CB 3.44Å; W485-L489 WeakPolarHBondContact O-CG 3.15Å; W485-L489 PolarHBondContact O-N 3.27Å
486	E	93.4	Very high	94.6	Very high	7 Å²	7	19 Å²	19	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-54	-40	170.8	-74.9	176.6	-155.3	0	0	111.9	G482 S490 L689 Q690 Q691 F695	G482-E486 WeakPolarHBondContact O-CG 3.28Å; G482-E486 PolarHBondContact O-N 3.26Å; E486-S490 WeakPolarHBondContact O-CB 3.41Å; E486-S490 PolarHBondContact O-N 3.3Å; E486-L689 HydrophobicContact CG-CD2 4.06Å; E486-L689 VanDerWaalsContact OE1-CA 3.26Å; E486-L689 WeakPolarHBondContact OE1-CA 3.33Å; E486-Q690 VanDerWaalsContact CD-N 3.28Å; E486-Q690 WeakPolarHBondContact OE1-CA 3.16Å; E486-Q690 PolarHBondContact OE1-N 2.88Å; E486-Q690 WeakPolarHBondContact OE2-CA 3.43Å; E486-Q691 PolarHBondContact OE1-N 3.45Å; E486-Q691 VanDerWaalsContact OE1-N 3.13Å; E486-Q691 PolarHBondContact OE2-N 3.31Å; E486-F695 WeakPolarHBondContact O-CE2 3.37Å
487	H	94.5	Very high	94.7	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.065	11%	0.112	C	C	.	.	H	α-helix	trans	-64.6	-45.2	178.1	-173.2	69.6	0	0	0	112.2	Y283 H483 L484 W485 S490 M491 L694	Y283-H487 HydrophobicContact CD2-CB 3.7Å; Y283-H487 AromaticContact CD2-CD2 3.71Å; Y283-H487 AromaticContact CD2-CG 3.65Å; Y283-H487 HydrophobicContact CE2-CB 4.14Å; H483-H487 PolarHBondContact O-N 3.46Å; L484-H487 VanDerWaalsContact O-CB 3.29Å; L484-H487 WeakPolarHBondContact O-CB 3.44Å; L484-H487 PolarHBondContact O-N 2.82Å; L484-H487 VanDerWaalsContact O-N 3.09Å; W485-H487 PolarHBondContact O-N 2.76Å; H487-S490 PolarHBondContact O-N 2.91Å; H487-S490 PolarHBondContact O-OG 3.32Å; H487-M491 VanDerWaalsContact O-CB 3.29Å; H487-M491 WeakPolarHBondContact O-CB 3.22Å; H487-M491 PolarHBondContact O-N 3.24Å; H487-L694 HydrophobicContact CB-CD1 4.34Å
488	V	95.8	Very high	94.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-53.7	-180	175.5	0	0	0	0	110.1	A276 A279 I280 M467 L484 W485 S490 M491 D492	A276-V488 HydrophobicContact CB-CG1 4.19Å; A279-V488 HydrophobicContact CB-CG1 4.4Å; A279-V488 HydrophobicContact CB-CG2 4.45Å; I280-V488 HydrophobicContact CB-CG2 4.47Å; I280-V488 HydrophobicContact CD1-CG2 4.34Å; I280-V488 HydrophobicContact CG1-CG1 4.49Å; I280-V488 HydrophobicContact CG1-CG2 3.38Å; M467-V488 HydrophobicContact CE-CG1 4.24Å; L484-V488 HydrophobicContact CD1-CG2 4.11Å; L484-V488 HydrophobicContact CG-CG2 4.45Å; L484-V488 WeakPolarHBondContact O-CG2 3.49Å; L484-V488 PolarHBondContact O-N 2.99Å; W485-V488 HydrophobicContact CE3-CB 4.15Å; W485-V488 HydrophobicContact CE3-CG1 4.32Å; W485-V488 HydrophobicContact CZ3-CB 4.41Å; W485-V488 HydrophobicContact CZ3-CG1 4.07Å; W485-V488 PolarHBondContact O-N 2.8Å; W485-V488 VanDerWaalsContact O-N 3.09Å; V488-S490 PolarHBondContact O-N 3.21Å; V488-S490 VanDerWaalsContact O-N 3.13Å; V488-M491 PolarHBondContact O-N 3.18Å; V488-M491 VanDerWaalsContact O-N 3.09Å; V488-D492 WeakPolarHBondContact O-CB 3.5Å; V488-D492 PolarHBondContact O-N 3.03Å
489	L	94	Very high	94.8	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-54.2	-34.6	176.9	-70.3	179.3	0	0	0	111.6	D259 F260 M467 W485 P493 F695	D259-L489 WeakPolarHBondContact OD1-CD2 3.3Å; F260-L489 HydrophobicContact CD1-CD1 4.43Å; F260-L489 HydrophobicContact CD2-CD2 4.04Å; F260-L489 HydrophobicContact CE1-CB 4.07Å; F260-L489 HydrophobicContact CE1-CD1 4.19Å; F260-L489 HydrophobicContact CE2-CB 3.96Å; F260-L489 HydrophobicContact CE2-CD2 4.04Å; F260-L489 WeakPolarHBondContact CE2-O 3.27Å; F260-L489 HydrophobicContact CG-CD2 4.3Å; F260-L489 HydrophobicContact CZ-CB 3.6Å; F260-L489 HydrophobicContact CZ-CD2 4.3Å; F260-L489 HydrophobicContact CZ-CG 4.36Å; F260-L489 WeakPolarHBondContact CZ-O 3.49Å; M467-L489 HydrophobicContact CE-CD2 3.5Å; W485-L489 HydrophobicContact CD2-CG 4.33Å; W485-L489 HydrophobicContact CG-CD1 4.29Å; W485-L489 HydrophobicContact CG-CG 4.45Å; W485-L489 HydrophobicContact CZ2-CD2 4.2Å; W485-L489 WeakPolarHBondContact O-CB 3.44Å; W485-L489 WeakPolarHBondContact O-CG 3.15Å; W485-L489 PolarHBondContact O-N 3.27Å; L489-P493 WeakPolarHBondContact O-CD 3.47Å; L489-F695 HydrophobicContact CB-CE2 4.39Å; L489-F695 HydrophobicContact CB-CZ 3.78Å
490	S	92.1	Very high	94.9	Very high	4 Å²	4	37 Å²	37	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-82.7	-27.5	-178	98.3	0	0	0	0	113.8	E486 H487 V488 K494 F695	E486-S490 WeakPolarHBondContact O-CB 3.41Å; E486-S490 PolarHBondContact O-N 3.3Å; H487-S490 PolarHBondContact O-N 2.91Å; H487-S490 PolarHBondContact O-OG 3.32Å; V488-S490 PolarHBondContact O-N 3.21Å; V488-S490 VanDerWaalsContact O-N 3.13Å; S490-K494 WeakPolarHBondContact O-CD 3.08Å; S490-K494 WeakPolarHBondContact O-CE 3.44Å; S490-K494 VanDerWaalsContact O-CG 3.32Å; S490-K494 WeakPolarHBondContact O-CG 3.48Å; S490-K494 PolarHBondContact O-NZ 2.86Å; S490-F695 VanDerWaalsContact CB-CE2 3.5Å
491	M	93.6	Very high	94.9	Very high	40 Å²	40	37.6 Å²	37.6	20%	0.197	19%	0.192	C	C	.	.	H	α-helix	trans	-85.2	-37.6	-176.2	-172	61.5	61.8	0	0	110.6	A279 H487 V488 K494 L495	A279-M491 HydrophobicContact CB-CB 3.8Å; A279-M491 HydrophobicContact CB-CG 3.85Å; H487-M491 VanDerWaalsContact O-CB 3.29Å; H487-M491 WeakPolarHBondContact O-CB 3.22Å; H487-M491 PolarHBondContact O-N 3.24Å; V488-M491 PolarHBondContact O-N 3.18Å; V488-M491 VanDerWaalsContact O-N 3.09Å; M491-K494 CarbonylContact O-C 3.54Å; M491-K494 WeakPolarHBondContact O-CA 3.46Å; M491-K494 WeakPolarHBondContact O-CB 3.42Å; M491-K494 PolarHBondContact O-N 3.28Å; M491-L495 HydrophobicContact CG-CD1 4Å; M491-L495 HydrophobicContact CG-CD2 4.5Å; M491-L495 HydrophobicContact CG-CG 4.01Å; M491-L495 WeakPolarHBondContact O-CG 3.31Å; M491-L495 PolarHBondContact O-N 2.96Å; M491-L495 HydrophobicContact SD-CG 4.46Å
492	D	94.1	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-52.3	-174	164.6	91.8	0	0	0	113.4	R272 N275 V488 K494 L495 G496 Y497	R272-D492 IonicContact CZ-OD2 3.63Å; R272-D492 IonicContact NH1-OD1 3.73Å; R272-D492 PolarHBondContact NH1-OD1 2.62Å; R272-D492 IonicContact NH1-OD2 2.93Å; R272-D492 PolarHBondContact NH1-OD2 3.32Å; N275-D492 WeakPolarHBondContact CB-OD1 3.23Å; V488-D492 WeakPolarHBondContact O-CB 3.5Å; V488-D492 PolarHBondContact O-N 3.03Å; D492-K494 PolarHBondContact O-N 3.42Å; D492-L495 PolarHBondContact O-N 3.41Å; D492-G496 PolarHBondContact O-N 2.87Å; D492-Y497 PolarHBondContact OD1-OH 3.28Å
493	P	90.6	Very high	95.2	Very high	44 Å²	44	38 Å²	38	29%	0.286	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-28.1	175.8	-23.6	34.5	0	0	0	113.1	F260 P265 L489 G496	F260-P493 HydrophobicContact CE2-CG 4.25Å; P265-P493 HydrophobicContact CG-CG 4.32Å; L489-P493 WeakPolarHBondContact O-CD 3.47Å; P493-G496 PolarHBondContact O-N 3.01Å
494	K	92.9	Very high	95.3	Very high	138 Å²	138	42.3 Å²	42.3	60%	0.6	21%	0.212	S	C	*	.	H	α-helix	trans	-76.9	-28	179.5	-65	174.9	-170.7	152.7	0	113	S490 M491 D492	S490-K494 WeakPolarHBondContact O-CD 3.08Å; S490-K494 WeakPolarHBondContact O-CE 3.44Å; S490-K494 VanDerWaalsContact O-CG 3.32Å; S490-K494 WeakPolarHBondContact O-CG 3.48Å; S490-K494 PolarHBondContact O-NZ 2.86Å; M491-K494 CarbonylContact O-C 3.54Å; M491-K494 WeakPolarHBondContact O-CA 3.46Å; M491-K494 WeakPolarHBondContact O-CB 3.42Å; M491-K494 PolarHBondContact O-N 3.28Å; D492-K494 PolarHBondContact O-N 3.42Å
495	L	96	Very high	95.2	Very high	43 Å²	43	44.8 Å²	44.8	23%	0.225	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-30.1	171	-69.2	171.4	0	0	0	110.6	N275 H278 A279 P356 M491 D492	N275-L495 HydrophobicContact CB-CD1 4.08Å; N275-L495 WeakPolarHBondContact OD1-CB 3.46Å; H278-L495 HydrophobicContact CB-CD1 4.47Å; A279-L495 HydrophobicContact CB-CD1 4.49Å; P356-L495 HydrophobicContact CG-CD1 4.36Å; P356-L495 HydrophobicContact CG-CD2 4.46Å; M491-L495 HydrophobicContact CG-CD1 4Å; M491-L495 HydrophobicContact CG-CD2 4.5Å; M491-L495 HydrophobicContact CG-CG 4.01Å; M491-L495 WeakPolarHBondContact O-CG 3.31Å; M491-L495 PolarHBondContact O-N 2.96Å; M491-L495 HydrophobicContact SD-CG 4.46Å; D492-L495 PolarHBondContact O-N 3.41Å
496	G	95.8	Very high	95.1	Very high	19 Å²	19	51.3 Å²	51.3	20%	0.196	27%	0.271	C	S	.	.			trans	76.5	168.4	170.9	0	0	0	0	0	113.7	N275 D492 P493	N275-G496 PolarHBondContact ND2-O 3.21Å; D492-G496 PolarHBondContact O-N 2.87Å; P493-G496 PolarHBondContact O-N 3.01Å
497	Y	97.9	Very high	95.1	Very high	34 Å²	34	53.6 Å²	53.6	13%	0.133	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-134.1	154.9	178.9	-63.4	-87.7	0	0	0	109.4	P265 T266 A271 N275 D492 H502 Q504	P265-Y497 HydrophobicContact CB-CD2 3.78Å; P265-Y497 HydrophobicContact CB-CE2 3.37Å; T266-Y497 HydrophobicContact CG2-CD1 3.83Å; T266-Y497 HydrophobicContact CG2-CE1 3.36Å; T266-Y497 HydrophobicContact CG2-CE2 4.38Å; T266-Y497 HydrophobicContact CG2-CG 4.48Å; A271-Y497 HydrophobicContact CB-CD1 4.12Å; A271-Y497 HydrophobicContact CB-CE1 3.9Å; N275-Y497 HydrophobicContact CB-CE1 4.46Å; N275-Y497 WeakPolarHBondContact CB-OH 3.35Å; N275-Y497 WeakPolarHBondContact ND2-CE1 3.4Å; N275-Y497 WeakPolarHBondContact ND2-CE2 3.3Å; N275-Y497 PolarHBondContact ND2-OH 3.23Å; D492-Y497 PolarHBondContact OD1-OH 3.28Å; Y497-H502 CarbonylContact C-O 3.56Å; Y497-H502 WeakPolarHBondContact CA-O 3.23Å; Y497-Q504 PolarHBondContact O-NE2 2.9Å
498	T	97.6	Very high	95	Very high	47 Å²	47	55.2 Å²	55.2	29%	0.288	29%	0.294	S	S	.	.			trans	-74.1	170.8	171.3	67.6	0	0	0	0	110.4	E500 G501 H502	T498-E500 PolarHBondContact O-N 2.62Å; T498-E500 PolarHBondContact OG1-N 3.34Å; T498-G501 WeakPolarHBondContact O-CA 3.4Å; T498-G501 PolarHBondContact O-N 3.4Å; T498-H502 HydrophobicContact CG2-CB 4.46Å; T498-H502 PolarHBondContact N-O 2.95Å; T498-H502 PolarHBondContact OG1-N 3.46Å
499	E	94.9	Very high	94.6	Very high	209 Å²	209	60.2 Å²	60.2	98%	0.977	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	175.3	-65.4	-178.9	176.2	0	0	112.5	G501	E499-G501 PolarHBondContact O-N 3.29Å
500	E	95.6	Very high	94.4	Very high	143 Å²	143	65.4 Å²	65.4	67%	0.668	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	1.8	175.4	-61.5	179.7	176.7	0	0	113.7	R268 T498 H502	R268-E500 WeakPolarHBondContact CD-O 3.38Å; T498-E500 PolarHBondContact O-N 2.62Å; T498-E500 PolarHBondContact OG1-N 3.34Å; E500-H502 IonicContact OE2-CD2 3.97Å
501	G	96.6	Very high	94.3	Very high	12 Å²	12	65.8 Å²	65.8	12%	0.124	36%	0.356	C	S	.	.	S	Bend	trans	80.4	10.7	178.2	0	0	0	0	0	115.3	T266 A271 T498 E499	T266-G501 PolarHBondContact OG1-O 3.47Å; A271-G501 WeakPolarHBondContact CB-O 3.45Å; T498-G501 WeakPolarHBondContact O-CA 3.4Å; T498-G501 PolarHBondContact O-N 3.4Å; E499-G501 PolarHBondContact O-N 3.29Å
502	H	98.3	Very high	94.3	Very high	22 Å²	22	67.1 Å²	67.1	10%	0.102	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-80	158.2	174.9	-73.5	-69.3	0	0	0	111.7	R268 R357 E360 E364 Y497 T498 E500	R268-H502 PolarHBondContact NE-CE1 2.85Å; R268-H502 VanDerWaalsContact NE-CE1 3.32Å; R268-H502 PolarHBondContact NH1-NE2 3.26Å; R268-H502 VanDerWaalsContact NH1-NE2 3.18Å; R268-H502 PolarHBondContact NH2-CE1 3.04Å; R357-H502 PolarHBondContact NH1-ND1 3.39Å; E360-H502 IonicContact OE1-CE1 3.73Å; E360-H502 IonicContact OE1-CG 2.82Å; E360-H502 IonicContact OE1-ND1 3.68Å; E360-H502 PolarHBondContact OE1-ND1 2.93Å; E360-H502 IonicContact OE2-ND1 2.68Å; E364-H502 IonicContact OE1-CE1 2.64Å; E364-H502 PolarHBondContact OE1-CE1 2.78Å; E364-H502 IonicContact OE1-ND1 3.2Å; Y497-H502 CarbonylContact C-O 3.56Å; Y497-H502 WeakPolarHBondContact CA-O 3.23Å; T498-H502 HydrophobicContact CG2-CB 4.46Å; T498-H502 PolarHBondContact N-O 2.95Å; T498-H502 PolarHBondContact OG1-N 3.46Å; E500-H502 IonicContact OE2-CD2 3.97Å
503	C	98.3	Very high	94.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-60.4	143.6	170	-74.5	0	0	0	0	111	A271 P356 R357 E360	A271-C503 PolarHBondContact O-SG 3.24Å; P356-C503 HydrophobicContact CB-CB 3.85Å; R357-C503 HydrophobicContact CB-CB 4.09Å; E360-C503 VanDerWaalsContact OE2-CB 3.28Å; E360-C503 WeakPolarHBondContact OE2-CB 3.31Å; E360-C503 PolarHBondContact OE2-N 2.81Å
504	Q	97.6	Very high	94.6	Very high	99 Å²	99	68.5 Å²	68.5	46%	0.463	39%	0.385	S	S	.	.	S	Bend	trans	-60.9	141.5	173.3	-68.7	-70.2	-9.7	0	0	111.9	Y497	Y497-Q504 PolarHBondContact O-NE2 2.9Å
505	G	94.8	Very high	94.8	Very high	53 Å²	53	65.4 Å²	65.4	55%	0.546	37%	0.373	S	S	.	.	S	Bend	trans	111	-168.9	-177.7	0	0	0	0	0	113.5
506	I	93.3	Very high	94.9	Very high	142 Å²	142	66 Å²	66	73%	0.728	37%	0.372	S	S	*	.			trans	-120	147.1	-179.1	59.5	175.1	0	0	0	111.2
507	P	92.3	Very high	95	Very high	55 Å²	55	65.5 Å²	65.5	36%	0.357	37%	0.365	S	S	.	.			trans	-61.1	154.5	170.7	-20.7	32.5	0	0	0	111.7	R357 Q361	R357-P507 HydrophobicContact CG-CG 4.19Å; Q361-P507 HydrophobicContact CG-CB 4.47Å
508	H	92.4	Very high	94.9	Very high	48 Å²	48	69.5 Å²	69.5	22%	0.222	39%	0.385	C	S	.	.			trans	-101.4	118.6	176.4	-171	-64.4	0	0	0	109.8	Y349 E358 Q361 N510 L511	Y349-H508 AromaticContact CE1-CE1 3.53Å; Y349-H508 AromaticContact CE1-NE2 3.64Å; E358-H508 HydrophobicContact CG-CB 4.1Å; E358-H508 WeakPolarHBondContact OE1-CB 3.45Å; E358-H508 IonicContact OE1-CD2 3.67Å; E358-H508 IonicContact OE1-CG 3.37Å; Q361-H508 PolarHBondContact NE2-O 2.89Å; Q361-H508 VanDerWaalsContact OE1-N 3.15Å; Q361-H508 PolarHBondContact OE1-O 3.4Å; H508-N510 PolarHBondContact ND1-N 2.97Å; H508-N510 PolarHBondContact O-N 3.16Å; H508-L511 HydrophobicContact CB-CB 4Å; H508-L511 PolarHBondContact ND1-N 3.26Å; H508-L511 PolarHBondContact O-N 3.45Å
509	P	88.9	Confident	94.9	Very high	106 Å²	106	67.5 Å²	67.5	69%	0.688	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-40.5	-170	22.9	-32.6	0	0	0	112.6	L511	P509-L511 PolarHBondContact O-N 3.48Å
510	N	88.3	Confident	95	Very high	116 Å²	116	63.1 Å²	63.1	62%	0.62	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	14.4	-174.9	-58.2	-22.8	0	0	0	113.8	H508 P512	H508-N510 PolarHBondContact ND1-N 2.97Å; H508-N510 PolarHBondContact O-N 3.16Å; N510-P512 WeakPolarHBondContact O-CD 3.35Å
511	L	91.4	Very high	95.1	Very high	11 Å²	11	57 Å²	57	6%	0.058	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.8	124.1	-178.4	-176.4	66.4	0	0	0	109.7	Y349 L354 E358 Q362 R365 H508 P509	Y349-L511 HydrophobicContact CD1-CD1 4Å; Y349-L511 HydrophobicContact CD2-CD1 3.77Å; Y349-L511 HydrophobicContact CE2-CD1 4.41Å; Y349-L511 HydrophobicContact CG-CD1 3.53Å; L354-L511 HydrophobicContact CD2-CD1 3.74Å; L354-L511 HydrophobicContact CD2-CD2 4.27Å; E358-L511 HydrophobicContact CB-CD2 3.93Å; Q362-L511 HydrophobicContact CG-CD2 4.26Å; R365-L511 PolarHBondContact NH1-O 3.37Å; R365-L511 PolarHBondContact NH2-O 2.92Å; H508-L511 HydrophobicContact CB-CB 4Å; H508-L511 PolarHBondContact ND1-N 3.26Å; H508-L511 PolarHBondContact O-N 3.45Å; P509-L511 PolarHBondContact O-N 3.48Å
512	P	91.9	Very high	95.1	Very high	69 Å²	69	58.9 Å²	58.9	45%	0.448	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-56	148.3	177	-26.4	35.6	0	0	0	111.9	Y349 Q362 R365 N510	Y349-P512 VanDerWaalsContact CE2-CD 3.48Å; Y349-P512 HydrophobicContact CE2-CG 4.17Å; Q362-P512 PolarHBondContact NE2-O 2.87Å; Q362-P512 PolarHBondContact OE1-O 2.96Å; R365-P512 PolarHBondContact NH1-O 3.27Å; N510-P512 WeakPolarHBondContact O-CD 3.35Å
513	G	94.2	Very high	95.1	Very high	45 Å²	45	65.8 Å²	65.8	46%	0.464	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-70.4	166	176.2	0	0	0	0	0	113.3
514	P	97.4	Very high	95.1	Very high	28 Å²	28	70.6 Å²	70.6	18%	0.182	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61.1	140.5	169.4	30.2	-37.2	0	0	0	109.9	F343 V345 Q362 R365 I366 R516	F343-P514 HydrophobicContact CB-CB 4.33Å; F343-P514 HydrophobicContact CD1-CB 4.19Å; F343-P514 HydrophobicContact CD1-CG 4.37Å; V345-P514 HydrophobicContact CG2-CB 4Å; Q362-P514 VanDerWaalsContact OE1-N 3.15Å; R365-P514 HydrophobicContact CB-CG 4.25Å; I366-P514 HydrophobicContact CD1-CB 4.01Å; I366-P514 HydrophobicContact CD1-CG 4.36Å; I366-P514 HydrophobicContact CG1-CB 3.87Å; I366-P514 HydrophobicContact CG1-CG 3.68Å; P514-R516 PolarHBondContact O-N 3.1Å
515	Q	97.8	Very high	95.1	Very high	73 Å²	73	65.9 Å²	65.9	34%	0.341	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.4	177.2	179.8	-174.8	2.2	0	0	109.5	F343 K344 L517	F343-Q515 CarbonylContact C-O 3.54Å; F343-Q515 WeakPolarHBondContact CA-O 3.14Å; K344-Q515 HydrophobicContact CB-CB 4.27Å; K344-Q515 PolarHBondContact N-O 3.15Å; K344-Q515 PolarHBondContact O-N 3.49Å; Q515-L517 PolarHBondContact O-N 3.07Å
516	R	97.9	Very high	95.3	Very high	56 Å²	56	66 Å²	66	21%	0.211	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	125.1	170.5	-174.6	69.9	178.5	81.4	15.1	110.4	F342 F343 E377 P514	F342-R516 VanDerWaalsContact N-NH1 3.15Å; F342-R516 PolarHBondContact O-NH1 3.25Å; F343-R516 HydrophobicContact CD1-CB 4.26Å; F343-R516 HydrophobicContact CE1-CB 4.19Å; F343-R516 HydrophobicContact CE1-CG 4.37Å; E377-R516 IonicContact OE1-CZ 2.8Å; E377-R516 IonicContact OE1-NH1 3.19Å; E377-R516 PolarHBondContact OE1-NH1 2.98Å; E377-R516 IonicContact OE1-NH2 2.76Å; E377-R516 PolarHBondContact OE1-NH2 3.45Å; E377-R516 IonicContact OE2-CZ 3.75Å; E377-R516 IonicContact OE2-NH2 3.84Å; E377-R516 PolarHBondContact OE2-NH2 3.13Å; P514-R516 PolarHBondContact O-N 3.1Å
517	L	97.9	Very high	95.5	Very high	8 Å²	8	65.6 Å²	65.6	4%	0.042	35%	0.35	C	S	.	.			trans	-75.3	144.8	175	-60	-169.2	0	0	0	110.3	F342 K344 A410 I411 Q515 W519	F342-L517 HydrophobicContact CB-CB 4.05Å; F342-L517 HydrophobicContact CB-CD1 3.76Å; F342-L517 HydrophobicContact CB-CG 4.1Å; F342-L517 WeakPolarHBondContact O-CB 3.46Å; F342-L517 PolarHBondContact O-N 3.16Å; K344-L517 HydrophobicContact CB-CD2 3.93Å; A410-L517 HydrophobicContact CB-CD1 4.13Å; A410-L517 HydrophobicContact CB-CD2 3.83Å; I411-L517 HydrophobicContact CD1-CD1 4.13Å; I411-L517 HydrophobicContact CG1-CD1 3.84Å; Q515-L517 PolarHBondContact O-N 3.07Å; L517-W519 HydrophobicContact CB-CZ2 4.44Å; L517-W519 HydrophobicContact CD1-CZ2 4.33Å
518	Q	95.9	Very high	95.8	Very high	118 Å²	118	64.7 Å²	64.7	55%	0.551	34%	0.343	S	S	*	.			trans	-117.7	141	-177.2	-65.2	-177	-16.5	0	0	110.1	K403 S407	K403-Q518 HydrophobicContact CD-CB 4.38Å; S407-Q518 WeakPolarHBondContact CB-O 3.44Å; S407-Q518 PolarHBondContact OG-N 3.1Å; S407-Q518 VanDerWaalsContact OG-N 3.15Å; S407-Q518 PolarHBondContact OG-O 2.95Å
519	W	97.4	Very high	96.1	Very high	5 Å²	5	62.4 Å²	62.4	2%	0.019	33%	0.332	C	S	.	.			trans	-123.1	172.9	-178.1	-52.8	96.4	0	0	0	111.1	F342 M374 E377 L380 F399 N404 S407 L408 I411 L517 I521	F342-W519 HydrophobicContact CB-CZ2 4.45Å; F342-W519 HydrophobicContact CD2-CZ2 4.25Å; F342-W519 AromaticContact CD2-NE1 3.86Å; F342-W519 HydrophobicContact CG-CZ2 4.28Å; M374-W519 HydrophobicContact CE-CB 3.63Å; M374-W519 VanDerWaalsContact CE-N 3.31Å; M374-W519 WeakPolarHBondContact CE-O 3.43Å; E377-W519 HydrophobicContact CG-CG 4.46Å; E377-W519 PolarHBondContact OE1-NE1 3.19Å; L380-W519 HydrophobicContact CD2-CD2 3.63Å; L380-W519 VanDerWaalsContact CD2-CE2 3.47Å; L380-W519 HydrophobicContact CD2-CE3 3.8Å; L380-W519 HydrophobicContact CD2-CG 4.31Å; L380-W519 HydrophobicContact CD2-CH2 3.72Å; L380-W519 HydrophobicContact CD2-CZ2 3.52Å; L380-W519 HydrophobicContact CD2-CZ3 3.85Å; F399-W519 HydrophobicContact CD1-CE3 4.33Å; F399-W519 AromaticContact CD1-CZ3 3.91Å; F399-W519 HydrophobicContact CD1-CZ3 3.91Å; F399-W519 AromaticContact CE1-CE3 3.93Å; F399-W519 HydrophobicContact CE1-CE3 3.93Å; F399-W519 AromaticContact CE1-CZ3 3.75Å; F399-W519 HydrophobicContact CE1-CZ3 3.75Å; N404-W519 HydrophobicContact CB-CE3 4.4Å; N404-W519 VanDerWaalsContact OD1-CA 3.29Å; N404-W519 WeakPolarHBondContact OD1-CA 3.48Å; S407-W519 VanDerWaalsContact CB-CH2 3.46Å; L408-W519 HydrophobicContact CB-CZ3 4.36Å; I411-W519 HydrophobicContact CD1-CH2 3.92Å; I411-W519 HydrophobicContact CD1-CZ2 3.91Å; L517-W519 HydrophobicContact CB-CZ2 4.44Å; L517-W519 HydrophobicContact CD1-CZ2 4.33Å; W519-I521 HydrophobicContact CB-CD1 3.9Å; W519-I521 HydrophobicContact CB-CG1 3.68Å; W519-I521 HydrophobicContact CG-CD1 4.35Å
520	D	96.4	Very high	96.5	Very high	117 Å²	117	60.1 Å²	60.1	63%	0.626	31%	0.313	S	S	*	.			trans	-142.9	90.1	169.3	-175.4	5.1	0	0	0	106.1	N404	N404-D520 PolarHBondContact ND2-O 3.34Å; N404-D520 PolarHBondContact OD1-N 3.15Å
521	I	97.3	Very high	97	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.077	30%	0.301	C	S	.	.			trans	-106.4	97	-167.8	-50.4	177.4	0	0	0	108.4	E377 L380 W519 C525 Q526 I529	E377-I521 VanDerWaalsContact CA-CD1 3.5Å; E377-I521 HydrophobicContact CB-CD1 3.84Å; E377-I521 HydrophobicContact CG-CD1 4.49Å; L380-I521 HydrophobicContact CD1-CD1 4.2Å; W519-I521 HydrophobicContact CB-CD1 3.9Å; W519-I521 HydrophobicContact CB-CG1 3.68Å; W519-I521 HydrophobicContact CG-CD1 4.35Å; I521-C525 HydrophobicContact CG2-CB 3.91Å; I521-Q526 HydrophobicContact CG2-CG 3.67Å; I521-Q526 PolarHBondContact O-NE2 2.91Å; I521-I529 HydrophobicContact CG2-CD1 3.92Å
522	S	97.4	Very high	97.4	Very high	50 Å²	50	57 Å²	57	35%	0.35	30%	0.3	S	S	.	.			trans	-62.2	158.8	176	70.3	0	0	0	0	111.7	E524 C525 Q526	S522-E524 VanDerWaalsContact C-N 3.25Å; S522-E524 PolarHBondContact O-N 2.73Å; S522-C525 WeakPolarHBondContact O-CA 3.25Å; S522-C525 WeakPolarHBondContact O-CB 3.4Å; S522-C525 PolarHBondContact O-N 2.9Å; S522-C525 PolarHBondContact OG-N 2.97Å; S522-Q526 WeakPolarHBondContact O-CG 3.48Å; S522-Q526 PolarHBondContact O-N 3.44Å
523	K	98	Very high	97.7	Very high	167 Å²	167	53.7 Å²	53.7	73%	0.726	28%	0.279	S	S	*	.	H	α-helix	trans	-55.1	-39.9	176.5	-70.2	-176.1	176.6	-178.1	0	112.8	C525 Q526 E527	K523-C525 VanDerWaalsContact C-N 3.34Å; K523-C525 PolarHBondContact O-N 3.25Å; K523-Q526 WeakPolarHBondContact O-CB 3.4Å; K523-Q526 PolarHBondContact O-N 3.28Å; K523-Q526 VanDerWaalsContact O-N 3.15Å; K523-E527 WeakPolarHBondContact O-CG 3.49Å; K523-E527 PolarHBondContact O-N 3.32Å
524	E	97.9	Very high	97.9	Very high	101 Å²	101	58.8 Å²	58.8	47%	0.472	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-39.8	175.9	-169	-169.6	176.1	0	0	112.1	Q397 F398 S522 E527 T528	Q397-E524 PolarHBondContact NE2-OE1 2.85Å; Q397-E524 PolarHBondContact NE2-OE2 3.36Å; Q397-E524 VanDerWaalsContact NE2-OE2 3.17Å; F398-E524 HydrophobicContact CE1-CB 4.25Å; F398-E524 HydrophobicContact CE1-CG 4.33Å; F398-E524 HydrophobicContact CZ-CB 4.15Å; F398-E524 HydrophobicContact CZ-CG 3.85Å; S522-E524 VanDerWaalsContact C-N 3.25Å; S522-E524 PolarHBondContact O-N 2.73Å; E524-E527 PolarHBondContact O-N 3.47Å; E524-T528 PolarHBondContact O-N 2.89Å; E524-T528 VanDerWaalsContact O-N 3.11Å; E524-T528 PolarHBondContact O-OG1 2.87Å
525	C	98.1	Very high	97.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-40.2	174.2	-170.6	0	0	0	0	111	F398 I521 S522 K523 E527 T528 I529	F398-C525 HydrophobicContact CB-CB 4.41Å; F398-C525 HydrophobicContact CD1-CB 3.84Å; F398-C525 HydrophobicContact CD2-CB 3.86Å; F398-C525 HydrophobicContact CE1-CB 4.02Å; F398-C525 HydrophobicContact CE2-CB 4.04Å; F398-C525 HydrophobicContact CG-CB 3.77Å; F398-C525 HydrophobicContact CZ-CB 4.12Å; I521-C525 HydrophobicContact CG2-CB 3.91Å; S522-C525 WeakPolarHBondContact O-CA 3.25Å; S522-C525 WeakPolarHBondContact O-CB 3.4Å; S522-C525 PolarHBondContact O-N 2.9Å; S522-C525 PolarHBondContact OG-N 2.97Å; K523-C525 VanDerWaalsContact C-N 3.34Å; K523-C525 PolarHBondContact O-N 3.25Å; C525-E527 PolarHBondContact O-N 2.67Å; C525-T528 WeakPolarHBondContact O-CB 3.42Å; C525-T528 PolarHBondContact O-N 3.49Å; C525-I529 VanDerWaalsContact O-CG1 3.28Å; C525-I529 WeakPolarHBondContact O-CG1 3.43Å; C525-I529 PolarHBondContact O-N 3.23Å
526	Q	98.4	Very high	98	Very high	54 Å²	54	56.7 Å²	56.7	25%	0.252	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-43.8	175.5	-61.1	172.5	33.4	0	0	111.8	I521 S522 K523 T528 I529 E530	I521-Q526 HydrophobicContact CG2-CG 3.67Å; I521-Q526 PolarHBondContact O-NE2 2.91Å; S522-Q526 WeakPolarHBondContact O-CG 3.48Å; S522-Q526 PolarHBondContact O-N 3.44Å; K523-Q526 WeakPolarHBondContact O-CB 3.4Å; K523-Q526 PolarHBondContact O-N 3.28Å; K523-Q526 VanDerWaalsContact O-N 3.15Å; Q526-T528 VanDerWaalsContact C-N 3.29Å; Q526-T528 PolarHBondContact O-N 2.69Å; Q526-I529 WeakPolarHBondContact O-CB 3.39Å; Q526-I529 PolarHBondContact O-N 3.28Å; Q526-E530 WeakPolarHBondContact O-CG 3.27Å; Q526-E530 PolarHBondContact O-N 3.16Å
527	E	98.3	Very high	98	Very high	134 Å²	134	58.8 Å²	58.8	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-60.8	-39.9	175.5	-72.2	170.5	-169.5	0	0	112	K523 E524 C525 E530 S531	K523-E527 WeakPolarHBondContact O-CG 3.49Å; K523-E527 PolarHBondContact O-N 3.32Å; E524-E527 PolarHBondContact O-N 3.47Å; C525-E527 PolarHBondContact O-N 2.67Å; E527-E530 PolarHBondContact O-N 3.26Å; E527-S531 WeakPolarHBondContact O-CB 3.48Å; E527-S531 PolarHBondContact O-N 3.27Å
528	T	98.2	Very high	98	Very high	36 Å²	36	61.5 Å²	61.5	22%	0.221	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-44.2	175.7	-54.3	0	0	0	0	111.3	L383 A394 E524 C525 Q526 S531 S532	L383-T528 HydrophobicContact CD2-CG2 3.93Å; A394-T528 HydrophobicContact CB-CG2 3.92Å; E524-T528 PolarHBondContact O-N 2.89Å; E524-T528 VanDerWaalsContact O-N 3.11Å; E524-T528 PolarHBondContact O-OG1 2.87Å; C525-T528 WeakPolarHBondContact O-CB 3.42Å; C525-T528 PolarHBondContact O-N 3.49Å; Q526-T528 VanDerWaalsContact C-N 3.29Å; Q526-T528 PolarHBondContact O-N 2.69Å; T528-S531 PolarHBondContact O-N 2.77Å; T528-S532 PolarHBondContact O-N 3.3Å; T528-S532 PolarHBondContact O-OG 3.29Å
529	I	98.7	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-49.4	175	-70.3	161.4	0	0	0	110.6	K379 L380 A382 L383 I521 C525 Q526 S531 S532 L533	K379-I529 HydrophobicContact CB-CG2 3.65Å; K379-I529 WeakPolarHBondContact O-CG2 3.5Å; L380-I529 HydrophobicContact CD1-CD1 3.68Å; L380-I529 HydrophobicContact CD1-CG1 4.4Å; A382-I529 HydrophobicContact CB-CG2 4.41Å; L383-I529 HydrophobicContact CD1-CD1 4.5Å; L383-I529 HydrophobicContact CD1-CG1 3.79Å; L383-I529 HydrophobicContact CD2-CG1 3.98Å; L383-I529 HydrophobicContact CG-CG1 3.78Å; I521-I529 HydrophobicContact CG2-CD1 3.92Å; C525-I529 VanDerWaalsContact O-CG1 3.28Å; C525-I529 WeakPolarHBondContact O-CG1 3.43Å; C525-I529 PolarHBondContact O-N 3.23Å; Q526-I529 WeakPolarHBondContact O-CB 3.39Å; Q526-I529 PolarHBondContact O-N 3.28Å; I529-S531 VanDerWaalsContact C-N 3.3Å; I529-S531 PolarHBondContact O-N 2.97Å; I529-S532 PolarHBondContact O-N 2.91Å; I529-L533 WeakPolarHBondContact O-CB 3.34Å; I529-L533 PolarHBondContact O-N 3.02Å
530	E	98.5	Very high	98.2	Very high	59 Å²	59	56.7 Å²	56.7	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-35.4	178.5	-68	-63.1	158.9	0	0	111.9	K379 Q526 E527 L533 R534	K379-E530 WeakPolarHBondContact CD-OE1 3.49Å; K379-E530 WeakPolarHBondContact CE-OE1 3.35Å; K379-E530 VanDerWaalsContact NZ-CD 3.27Å; K379-E530 IonicContact NZ-OE1 2.68Å; K379-E530 PolarHBondContact NZ-OE1 3.48Å; K379-E530 IonicContact NZ-OE2 3.17Å; K379-E530 PolarHBondContact NZ-OE2 2.9Å; K379-E530 VanDerWaalsContact NZ-OE2 3.09Å; Q526-E530 WeakPolarHBondContact O-CG 3.27Å; Q526-E530 PolarHBondContact O-N 3.16Å; E527-E530 PolarHBondContact O-N 3.26Å; E530-L533 PolarHBondContact O-N 3.31Å; E530-R534 WeakPolarHBondContact O-CG 3.34Å; E530-R534 PolarHBondContact O-N 2.87Å
531	S	98.4	Very high	98.3	Very high	54 Å²	54	56.8 Å²	56.8	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-47.1	175.2	-164.1	0	0	0	0	112.2	E527 T528 I529 L533 R534 V535	E527-S531 WeakPolarHBondContact O-CB 3.48Å; E527-S531 PolarHBondContact O-N 3.27Å; T528-S531 PolarHBondContact O-N 2.77Å; I529-S531 VanDerWaalsContact C-N 3.3Å; I529-S531 PolarHBondContact O-N 2.97Å; S531-L533 VanDerWaalsContact C-N 3.26Å; S531-L533 PolarHBondContact O-N 2.99Å; S531-R534 VanDerWaalsContact CA-NH2 3.35Å; S531-R534 PolarHBondContact O-N 2.92Å; S531-R534 PolarHBondContact OG-NH2 3.26Å; S531-V535 PolarHBondContact O-N 3.5Å
532	S	98.6	Very high	98.3	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-38.9	173.9	-67.9	0	0	0	0	111.5	A382 T528 I529 V535 A536	A382-S532 WeakPolarHBondContact O-CB 3.38Å; T528-S532 PolarHBondContact O-N 3.3Å; T528-S532 PolarHBondContact O-OG 3.29Å; I529-S532 PolarHBondContact O-N 2.91Å; S532-V535 PolarHBondContact O-N 3.33Å; S532-A536 WeakPolarHBondContact O-CB 3.49Å; S532-A536 PolarHBondContact O-N 3.34Å
533	L	98.6	Very high	98.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-40.5	177.3	-177.6	57.4	0	0	0	112.7	K379 A382 C448 Y449 I529 E530 S531 V535 A536 R537	K379-L533 HydrophobicContact CB-CD2 4.31Å; K379-L533 HydrophobicContact CD-CD2 3.6Å; K379-L533 HydrophobicContact CG-CD2 3.95Å; A382-L533 HydrophobicContact CB-CB 3.78Å; A382-L533 HydrophobicContact CB-CD1 4.09Å; A382-L533 HydrophobicContact CB-CG 4.45Å; C448-L533 HydrophobicContact CB-CD1 3.88Å; Y449-L533 HydrophobicContact CD1-CD1 3.75Å; Y449-L533 HydrophobicContact CD1-CD2 4.25Å; I529-L533 WeakPolarHBondContact O-CB 3.34Å; I529-L533 PolarHBondContact O-N 3.02Å; E530-L533 PolarHBondContact O-N 3.31Å; S531-L533 VanDerWaalsContact C-N 3.26Å; S531-L533 PolarHBondContact O-N 2.99Å; L533-V535 VanDerWaalsContact C-N 3.34Å; L533-V535 PolarHBondContact O-N 3.44Å; L533-A536 PolarHBondContact O-N 3.44Å; L533-R537 HydrophobicContact CD1-CG 3.9Å; L533-R537 HydrophobicContact CG-CG 4.29Å; L533-R537 WeakPolarHBondContact O-CB 3.46Å; L533-R537 WeakPolarHBondContact O-CG 3.45Å; L533-R537 PolarHBondContact O-N 2.84Å
534	R	98.7	Very high	98.3	Very high	152 Å²	152	48.2 Å²	48.2	57%	0.574	25%	0.245	S	C	*	.	H	α-helix	trans	-59.4	-44.8	175.2	-76.1	-172.6	-60.9	-91.3	3.8	111.6	E530 S531 A538	E530-R534 WeakPolarHBondContact O-CG 3.34Å; E530-R534 PolarHBondContact O-N 2.87Å; S531-R534 VanDerWaalsContact CA-NH2 3.35Å; S531-R534 PolarHBondContact O-N 2.92Å; S531-R534 PolarHBondContact OG-NH2 3.26Å; R534-A538 WeakPolarHBondContact O-CB 3.41Å; R534-A538 PolarHBondContact O-N 3.33Å
535	V	98.4	Very high	98.3	Very high	57 Å²	57	43.5 Å²	43.5	35%	0.345	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-47.2	176.5	175	0	0	0	0	110.9	P248 E387 S531 S532 L533 R537 A538 L539	P248-V535 HydrophobicContact CG-CG1 4.03Å; E387-V535 HydrophobicContact CG-CG1 4.32Å; S531-V535 PolarHBondContact O-N 3.5Å; S532-V535 PolarHBondContact O-N 3.33Å; L533-V535 VanDerWaalsContact C-N 3.34Å; L533-V535 PolarHBondContact O-N 3.44Å; V535-R537 PolarHBondContact O-N 3.28Å; V535-A538 PolarHBondContact O-N 3.02Å; V535-L539 PolarHBondContact O-N 3.07Å; V535-L539 VanDerWaalsContact O-N 3.08Å
536	A	98.5	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-41.6	-178.6	0	0	0	0	0	112.2	M250 A385 C448 S532 L533 L539 A540	M250-A536 HydrophobicContact CE-CB 4.19Å; M250-A536 WeakPolarHBondContact CE-O 3.27Å; A385-A536 HydrophobicContact CB-CB 3.68Å; C448-A536 HydrophobicContact CB-CB 3.77Å; S532-A536 WeakPolarHBondContact O-CB 3.49Å; S532-A536 PolarHBondContact O-N 3.34Å; L533-A536 PolarHBondContact O-N 3.44Å; A536-L539 PolarHBondContact O-N 3.36Å; A536-A540 WeakPolarHBondContact O-CB 3.48Å; A536-A540 PolarHBondContact O-N 2.85Å
537	R	98.6	Very high	98.2	Very high	99 Å²	99	41.6 Å²	41.6	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-64.6	-47.1	175.6	-77.3	177.6	176.3	174.2	-3.7	112	L533 V535 L539 A540 D541	L533-R537 HydrophobicContact CD1-CG 3.9Å; L533-R537 HydrophobicContact CG-CG 4.29Å; L533-R537 WeakPolarHBondContact O-CB 3.46Å; L533-R537 WeakPolarHBondContact O-CG 3.45Å; L533-R537 PolarHBondContact O-N 2.84Å; V535-R537 PolarHBondContact O-N 3.28Å; R537-L539 PolarHBondContact O-N 2.74Å; R537-A540 PolarHBondContact O-N 2.7Å; R537-D541 VanDerWaalsContact O-CB 3.32Å; R537-D541 WeakPolarHBondContact O-CB 3.33Å; R537-D541 PolarHBondContact O-N 2.98Å
538	A	98.4	Very high	98	Very high	65 Å²	65	36 Å²	36	54%	0.537	19%	0.189	S	C	.	.	H	α-helix	trans	-56	-39.4	176.1	0	0	0	0	0	111.8	R534 V535 D542	R534-A538 WeakPolarHBondContact O-CB 3.41Å; R534-A538 PolarHBondContact O-N 3.33Å; V535-A538 PolarHBondContact O-N 3.02Å; A538-D542 WeakPolarHBondContact O-CB 3.39Å; A538-D542 PolarHBondContact O-N 3.37Å
539	L	98.3	Very high	97.8	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-44.5	174.3	179.1	60.2	0	0	0	112.7	P248 V251 V535 A536 R537 D542 V543	P248-L539 HydrophobicContact CB-CD2 3.59Å; P248-L539 HydrophobicContact CG-CD2 4.05Å; V251-L539 HydrophobicContact CB-CD1 4.39Å; V251-L539 HydrophobicContact CB-CD2 3.94Å; V251-L539 HydrophobicContact CB-CG 4.03Å; V251-L539 HydrophobicContact CG1-CD1 4.41Å; V251-L539 HydrophobicContact CG2-CD2 4.21Å; V251-L539 HydrophobicContact CG2-CG 4.01Å; V535-L539 PolarHBondContact O-N 3.07Å; V535-L539 VanDerWaalsContact O-N 3.08Å; A536-L539 PolarHBondContact O-N 3.36Å; R537-L539 PolarHBondContact O-N 2.74Å; L539-D542 PolarHBondContact O-N 3.05Å; L539-V543 WeakPolarHBondContact O-CG2 3.36Å; L539-V543 PolarHBondContact O-N 2.85Å
540	A	98.3	Very high	97.6	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-43.8	-179.3	0	0	0	0	0	112.7	M250 H445 C448 A536 R537 D542 V543	M250-A540 HydrophobicContact CE-CB 3.98Å; H445-A540 HydrophobicContact CB-CB 4.11Å; C448-A540 VanDerWaalsContact SG-CB 3.55Å; A536-A540 WeakPolarHBondContact O-CB 3.48Å; A536-A540 PolarHBondContact O-N 2.85Å; R537-A540 PolarHBondContact O-N 2.7Å; A540-D542 PolarHBondContact O-N 2.91Å; A540-V543 PolarHBondContact O-N 3Å; A540-V543 VanDerWaalsContact O-N 3.1Å
541	D	98.1	Very high	97.4	Very high	119 Å²	119	38.5 Å²	38.5	64%	0.636	20%	0.204	S	C	*	.	H	α-helix	trans	-65.1	-25.6	179.2	-65.5	-22.9	0	0	0	111.6	R537 Y738	R537-D541 VanDerWaalsContact O-CB 3.32Å; R537-D541 WeakPolarHBondContact O-CB 3.33Å; R537-D541 PolarHBondContact O-N 2.98Å; D541-Y738 WeakPolarHBondContact O-CD2 3.39Å
542	D	98.3	Very high	97.2	Very high	34 Å²	34	39.2 Å²	39.2	18%	0.182	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.9	176.7	-164.8	33.1	0	0	0	113.4	A538 L539 A540 K737 Y738 S739	A538-D542 WeakPolarHBondContact O-CB 3.39Å; A538-D542 PolarHBondContact O-N 3.37Å; L539-D542 PolarHBondContact O-N 3.05Å; A540-D542 PolarHBondContact O-N 2.91Å; D542-K737 CarbonylContact O-C 3.5Å; D542-K737 WeakPolarHBondContact O-CA 3.19Å; D542-K737 WeakPolarHBondContact OD2-CD 3.41Å; D542-Y738 PolarHBondContact O-N 3.38Å; D542-Y738 PolarHBondContact OD1-N 2.86Å; D542-S739 VanDerWaalsContact CG-OG 3.28Å; D542-S739 WeakPolarHBondContact OD1-CA 3.29Å; D542-S739 WeakPolarHBondContact OD1-CB 3.5Å; D542-S739 PolarHBondContact OD1-N 2.89Å; D542-S739 PolarHBondContact OD1-OG 3.05Å; D542-S739 VanDerWaalsContact OD1-OG 3.1Å; D542-S739 WeakPolarHBondContact OD2-CB 3.43Å; D542-S739 PolarHBondContact OD2-OG 3.19Å
543	V	97.9	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.9	179.2	174.2	0	0	0	0	111	V251 K441 L444 L539 A540 Y738	V251-V543 HydrophobicContact CB-CG2 4.33Å; V251-V543 HydrophobicContact CG1-CG2 3.47Å; V251-V543 VanDerWaalsContact CG1-CG2 3.47Å; V251-V543 HydrophobicContact CG2-CG2 3.92Å; K441-V543 WeakPolarHBondContact CE-O 3.43Å; K441-V543 PolarHBondContact NZ-O 2.69Å; L444-V543 HydrophobicContact CD2-CG1 4.16Å; L539-V543 WeakPolarHBondContact O-CG2 3.36Å; L539-V543 PolarHBondContact O-N 2.85Å; A540-V543 PolarHBondContact O-N 3Å; A540-V543 VanDerWaalsContact O-N 3.1Å; V543-Y738 VanDerWaalsContact O-CE2 3.29Å; V543-Y738 WeakPolarHBondContact O-CE2 3.47Å
544	D	97.6	Very high	96.9	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	146.4	164.5	-167.9	25.5	0	0	0	110.6	S735 S736 Y738 S745	D544-S735 VanDerWaalsContact O-CA 3.26Å; D544-S735 WeakPolarHBondContact O-CA 3.41Å; D544-S735 WeakPolarHBondContact O-CB 3.3Å; D544-S736 PolarHBondContact N-O 2.91Å; D544-S736 PolarHBondContact O-N 2.84Å; D544-Y738 HydrophobicContact CB-CD1 4.01Å; D544-Y738 HydrophobicContact CB-CD2 4.44Å; D544-Y738 HydrophobicContact CB-CE1 3.57Å; D544-Y738 HydrophobicContact CB-CE2 4.08Å; D544-Y738 HydrophobicContact CB-CG 4.4Å; D544-Y738 VanDerWaalsContact CG-CE1 3.43Å; D544-Y738 WeakPolarHBondContact OD1-CE1 3.3Å; D544-Y738 VanDerWaalsContact OD1-CZ 3.28Å; D544-Y738 PolarHBondContact OD1-OH 3.32Å; D544-S745 WeakPolarHBondContact OD2-CB 3.45Å; D544-S745 PolarHBondContact OD2-N 2.86Å; D544-S745 PolarHBondContact OD2-OG 2.77Å
545	C	97.1	Very high	96.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	137.3	177.5	-74.4	0	0	0	0	109.6	D437 A440 K441 I734	D437-C545 WeakPolarHBondContact CB-O 3.11Å; A440-C545 HydrophobicContact CB-CB 4.4Å; K441-C545 HydrophobicContact CG-CB 3.9Å; C545-I734 CarbonylContact C-O 3.48Å; C545-I734 VanDerWaalsContact CA-O 3.28Å; C545-I734 WeakPolarHBondContact CA-O 3.37Å
546	H	97.8	Very high	96.4	Very high	12 Å²	12	32 Å²	32	6%	0.056	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	122.8	173.5	-171.5	52.6	0	0	0	111.4	D437 I734	D437-H546 VanDerWaalsContact OD1-CA 3.24Å; D437-H546 WeakPolarHBondContact OD1-CA 3.45Å; D437-H546 IonicContact OD1-ND1 3.67Å; D437-H546 IonicContact OD2-ND1 3.19Å; D437-H546 PolarHBondContact OD2-ND1 3.22Å; H546-I734 HydrophobicContact CB-CB 4.48Å; H546-I734 PolarHBondContact N-O 3.06Å; H546-I734 WeakPolarHBondContact O-CB 3.37Å; H546-I734 PolarHBondContact O-N 3.15Å
547	I	96.9	Very high	96.3	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.3	-176.6	-48.4	-51.4	0	0	0	110.4	M258 L436 D437 A440 F732 H733	M258-I547 HydrophobicContact CE-CG1 4.29Å; L436-I547 HydrophobicContact CB-CB 3.79Å; L436-I547 HydrophobicContact CB-CG1 4.12Å; L436-I547 HydrophobicContact CB-CG2 4.21Å; L436-I547 HydrophobicContact CD1-CB 4.36Å; L436-I547 HydrophobicContact CD1-CG2 4.17Å; D437-I547 PolarHBondContact OD1-N 3.38Å; A440-I547 HydrophobicContact CB-CD1 3.75Å; A440-I547 HydrophobicContact CB-CG1 3.82Å; I547-F732 WeakPolarHBondContact CA-O 3.37Å; I547-H733 HydrophobicContact CD1-CB 3.82Å; I547-H733 VanDerWaalsContact CD1-ND1 3.32Å; I547-H733 WeakPolarHBondContact CD1-ND1 3.41Å
548	I	94.5	Very high	96.1	Very high	16 Å²	16	29.5 Å²	29.5	8%	0.082	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	107.6	-176.5	-49.7	176.2	0	0	0	110.5	F550 N731 F732 I734 G749	I548-F550 HydrophobicContact CG2-CB 4.34Å; I548-F550 PolarHBondContact O-N 3.41Å; I548-F550 VanDerWaalsContact O-N 3.13Å; I548-N731 WeakPolarHBondContact O-CA 3.2Å; I548-F732 HydrophobicContact CB-CB 4.27Å; I548-F732 PolarHBondContact N-O 3.2Å; I548-F732 PolarHBondContact O-N 3.39Å; I548-I734 HydrophobicContact CD1-CD1 3.72Å; I548-I734 HydrophobicContact CG1-CD1 4.36Å; I548-G749 VanDerWaalsContact CD1-CA 3.41Å
549	P	93.8	Very high	95.9	Very high	32 Å²	32	31.5 Å²	31.5	21%	0.208	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	89.4	160.2	-14.1	30.6	0	0	0	110.2	L436 N551 L729 N731	L436-P549 HydrophobicContact CD1-CG 3.68Å; P549-N551 PolarHBondContact O-N 2.95Å; P549-L729 HydrophobicContact CB-CD1 4.49Å; P549-N731 WeakPolarHBondContact CA-OD1 3.43Å; P549-N731 WeakPolarHBondContact CB-OD1 3.37Å
550	F	95	Very high	95.7	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103	179.3	-176.5	-88	0	0	0	110.1	I548 D552 F553 L729 I730 F732 R753 M756	I548-F550 HydrophobicContact CG2-CB 4.34Å; I548-F550 PolarHBondContact O-N 3.41Å; I548-F550 VanDerWaalsContact O-N 3.13Å; F550-D552 HydrophobicContact CE1-CB 4.01Å; F550-D552 HydrophobicContact CE2-CB 4.1Å; F550-D552 VanDerWaalsContact CE2-OD2 3.23Å; F550-D552 WeakPolarHBondContact CE2-OD2 3.27Å; F550-D552 HydrophobicContact CZ-CB 3.69Å; F550-F553 VanDerWaalsContact CD1-O 3.28Å; F550-F553 WeakPolarHBondContact CD1-O 3.35Å; F550-F553 AromaticContact CE1-CD1 3.59Å; F550-F553 HydrophobicContact CE1-CD1 3.59Å; F550-F553 HydrophobicContact CE1-CD2 4.12Å; F550-F553 AromaticContact CE1-CE1 3.62Å; F550-F553 HydrophobicContact CE1-CE1 3.62Å; F550-F553 HydrophobicContact CE1-CE2 4.11Å; F550-F553 AromaticContact CE1-CG 3.88Å; F550-F553 HydrophobicContact CE1-CG 3.88Å; F550-F553 AromaticContact CE1-CZ 3.88Å; F550-F553 HydrophobicContact CE1-CZ 3.88Å; F550-F553 VanDerWaalsContact CE1-O 3.25Å; F550-F553 WeakPolarHBondContact CE1-O 3.26Å; F550-F553 AromaticContact CZ-CD1 3.67Å; F550-F553 HydrophobicContact CZ-CD1 3.67Å; F550-F553 AromaticContact CZ-CE1 3.37Å; F550-F553 HydrophobicContact CZ-CE1 3.37Å; F550-F553 HydrophobicContact CZ-CG 4.41Å; F550-F553 AromaticContact CZ-CZ 3.86Å; F550-F553 HydrophobicContact CZ-CZ 3.86Å; F550-L729 WeakPolarHBondContact O-CD1 3.48Å; F550-I730 WeakPolarHBondContact CA-O 3.29Å; F550-I730 HydrophobicContact CB-CB 4.4Å; F550-I730 VanDerWaalsContact CB-O 3.23Å; F550-I730 WeakPolarHBondContact CB-O 3.41Å; F550-I730 HydrophobicContact CD1-CB 4.42Å; F550-I730 HydrophobicContact CD1-CD1 4.45Å; F550-I730 PolarHBondContact N-O 3.12Å; F550-I730 PolarHBondContact O-N 3.26Å; F550-F732 HydrophobicContact CB-CD2 4.14Å; F550-F732 HydrophobicContact CB-CE2 4Å; F550-F732 HydrophobicContact CG-CE2 4.39Å; F550-R753 HydrophobicContact CD2-CG 3.96Å; F550-R753 HydrophobicContact CE2-CB 4.49Å; F550-R753 HydrophobicContact CE2-CG 3.75Å; F550-M756 HydrophobicContact CE1-CE 4.29Å; F550-M756 HydrophobicContact CE2-CB 3.98Å; F550-M756 HydrophobicContact CZ-CB 3.8Å
551	N	93.2	Very high	95.4	Very high	115 Å²	115	38 Å²	38	62%	0.615	19%	0.193	S	C	*	.			trans	-112.5	7.8	-176.7	63.8	-8	0	0	0	113.5	P549 F553 L729	P549-N551 PolarHBondContact O-N 2.95Å; N551-F553 VanDerWaalsContact C-N 3.29Å; N551-F553 PolarHBondContact O-N 3.02Å; N551-L729 HydrophobicContact CB-CD1 4.3Å
552	D	95.1	Very high	95.1	Very high	69 Å²	69	43.7 Å²	43.7	37%	0.369	21%	0.206	S	C	.	.	S	Bend	trans	-66.4	-34.7	176.4	-58.1	-71.6	0	0	0	111.1	F550 R753 L757	F550-D552 HydrophobicContact CE1-CB 4.01Å; F550-D552 HydrophobicContact CE2-CB 4.1Å; F550-D552 VanDerWaalsContact CE2-OD2 3.23Å; F550-D552 WeakPolarHBondContact CE2-OD2 3.27Å; F550-D552 HydrophobicContact CZ-CB 3.69Å; D552-R753 VanDerWaalsContact CG-NH2 3.3Å; D552-R753 IonicContact OD1-CZ 3.89Å; D552-R753 IonicContact OD1-NE 3.96Å; D552-R753 IonicContact OD1-NH2 2.94Å; D552-R753 PolarHBondContact OD1-NH2 2.89Å; D552-R753 IonicContact OD2-CZ 3.25Å; D552-R753 VanDerWaalsContact OD2-CZ 3.25Å; D552-R753 IonicContact OD2-NE 2.87Å; D552-R753 PolarHBondContact OD2-NE 3.47Å; D552-R753 IonicContact OD2-NH2 2.9Å; D552-R753 PolarHBondContact OD2-NH2 3.33Å; D552-L757 HydrophobicContact CB-CD2 3.97Å
553	F	95.4	Very high	94.8	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.031	20%	0.201	C	C	.	.			trans	-167.6	171.4	169.8	62.3	-91	0	0	0	111.1	F550 N551 L557 I558 F568 D728 M756 L757 L760	F550-F553 VanDerWaalsContact CD1-O 3.28Å; F550-F553 WeakPolarHBondContact CD1-O 3.35Å; F550-F553 AromaticContact CE1-CD1 3.59Å; F550-F553 HydrophobicContact CE1-CD1 3.59Å; F550-F553 HydrophobicContact CE1-CD2 4.12Å; F550-F553 AromaticContact CE1-CE1 3.62Å; F550-F553 HydrophobicContact CE1-CE1 3.62Å; F550-F553 HydrophobicContact CE1-CE2 4.11Å; F550-F553 AromaticContact CE1-CG 3.88Å; F550-F553 HydrophobicContact CE1-CG 3.88Å; F550-F553 AromaticContact CE1-CZ 3.88Å; F550-F553 HydrophobicContact CE1-CZ 3.88Å; F550-F553 VanDerWaalsContact CE1-O 3.25Å; F550-F553 WeakPolarHBondContact CE1-O 3.26Å; F550-F553 AromaticContact CZ-CD1 3.67Å; F550-F553 HydrophobicContact CZ-CD1 3.67Å; F550-F553 AromaticContact CZ-CE1 3.37Å; F550-F553 HydrophobicContact CZ-CE1 3.37Å; F550-F553 HydrophobicContact CZ-CG 4.41Å; F550-F553 AromaticContact CZ-CZ 3.86Å; F550-F553 HydrophobicContact CZ-CZ 3.86Å; N551-F553 VanDerWaalsContact C-N 3.29Å; N551-F553 PolarHBondContact O-N 3.02Å; F553-L557 HydrophobicContact CB-CB 4.1Å; F553-L557 HydrophobicContact CB-CD2 3.7Å; F553-L557 HydrophobicContact CG-CD2 4.17Å; F553-I558 HydrophobicContact CD2-CD1 4.34Å; F553-I558 HydrophobicContact CD2-CG1 4Å; F553-I558 HydrophobicContact CE2-CD1 3.96Å; F553-I558 HydrophobicContact CE2-CG1 3.72Å; F553-F568 AromaticContact CE2-CE1 3.97Å; F553-F568 HydrophobicContact CE2-CE1 3.97Å; F553-F568 HydrophobicContact CE2-CZ 4.23Å; F553-F568 AromaticContact CZ-CE1 3.88Å; F553-F568 HydrophobicContact CZ-CE1 3.88Å; F553-F568 HydrophobicContact CZ-CZ 4.08Å; F553-D728 CarbonylContact C-O 3.23Å; F553-D728 VanDerWaalsContact C-O 3.28Å; F553-M756 HydrophobicContact CE1-CB 4.35Å; F553-M756 HydrophobicContact CE2-CE 3.8Å; F553-M756 HydrophobicContact CZ-CB 3.94Å; F553-M756 HydrophobicContact CZ-CE 3.86Å; F553-M756 WeakPolarHBondContact CZ-O 3.29Å; F553-L757 HydrophobicContact CD1-CD2 4.46Å; F553-L757 HydrophobicContact CE1-CD2 4.17Å; F553-L760 HydrophobicContact CD1-CD2 3.48Å; F553-L760 VanDerWaalsContact CD1-CD2 3.48Å; F553-L760 HydrophobicContact CE1-CB 4.03Å; F553-L760 HydrophobicContact CE1-CD2 3.58Å; F553-L760 HydrophobicContact CE1-CG 4.37Å; F553-L760 HydrophobicContact CG-CD2 4.01Å; F553-L760 HydrophobicContact CZ-CB 4.09Å; F553-L760 HydrophobicContact CZ-CD2 4.22Å
554	G	94.4	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.			trans	-137.8	-155.6	173.7	0	0	0	0	0	114.2	G556 L557 I558 E727	G554-G556 PolarHBondContact O-N 3.29Å; G554-G556 VanDerWaalsContact O-N 3.13Å; G554-L557 PolarHBondContact O-N 3.24Å; G554-I558 WeakPolarHBondContact O-CG1 3.22Å; G554-I558 PolarHBondContact O-N 2.91Å; G554-E727 CarbonylContact C-O 3.42Å; G554-E727 WeakPolarHBondContact CA-O 3.47Å
555	K	93.9	Very high	94.6	Very high	44 Å²	44	44.3 Å²	44.3	19%	0.191	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-26.3	-177.2	73.5	-175.8	-169	-139.5	0	113.7	I558 K559 P565 I724 G726 E727	K555-I558 PolarHBondContact O-N 3.47Å; K555-K559 WeakPolarHBondContact O-CB 3.37Å; K555-K559 WeakPolarHBondContact O-CG 3.28Å; K555-K559 PolarHBondContact O-N 2.74Å; K555-P565 HydrophobicContact CB-CB 3.96Å; K555-P565 HydrophobicContact CB-CG 3.74Å; K555-I724 HydrophobicContact CB-CG2 3.68Å; K555-I724 HydrophobicContact CD-CG2 3.7Å; K555-I724 HydrophobicContact CG-CG2 3.96Å; K555-G726 VanDerWaalsContact CD-O 3.28Å; K555-G726 WeakPolarHBondContact CD-O 3.36Å; K555-G726 WeakPolarHBondContact CE-O 3.45Å; K555-G726 WeakPolarHBondContact CG-O 3.47Å; K555-G726 PolarHBondContact NZ-O 2.85Å; K555-E727 VanDerWaalsContact CE-CD 3.46Å; K555-E727 WeakPolarHBondContact CE-OE1 3.49Å; K555-E727 PolarHBondContact N-O 2.94Å; K555-E727 IonicContact NZ-OE1 2.64Å
556	G	94	Very high	94.5	Very high	14 Å²	14	44.9 Å²	44.9	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-47	-179.4	0	0	0	0	0	111.7	G554 K560 E727	G554-G556 PolarHBondContact O-N 3.29Å; G554-G556 VanDerWaalsContact O-N 3.13Å; G556-K560 PolarHBondContact O-N 2.7Å; G556-E727 WeakPolarHBondContact CA-OE2 3.4Å; G556-E727 PolarHBondContact N-O 2.87Å; G556-E727 PolarHBondContact N-OE2 3.25Å
557	L	94.9	Very high	94.5	Very high	46 Å²	46	44.3 Å²	44.3	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-73.3	-39.3	177.8	-162.1	61.6	0	0	0	111.9	F553 G554 K559 K560 C561 L760 L765	F553-L557 HydrophobicContact CB-CB 4.1Å; F553-L557 HydrophobicContact CB-CD2 3.7Å; F553-L557 HydrophobicContact CG-CD2 4.17Å; G554-L557 PolarHBondContact O-N 3.24Å; L557-K559 VanDerWaalsContact C-N 3.29Å; L557-K559 PolarHBondContact O-N 3.35Å; L557-K560 HydrophobicContact CD1-CD 4.11Å; L557-K560 WeakPolarHBondContact O-CB 3.32Å; L557-K560 PolarHBondContact O-N 3.44Å; L557-C561 PolarHBondContact O-N 2.81Å; L557-C561 PolarHBondContact O-SG 3.01Å; L557-C561 VanDerWaalsContact O-SG 3.37Å; L557-L760 HydrophobicContact CD2-CD1 3.7Å; L557-L760 HydrophobicContact CD2-CD2 3.51Å; L557-L760 HydrophobicContact CD2-CG 4.22Å; L557-L760 HydrophobicContact CG-CD1 3.84Å; L557-L765 HydrophobicContact CD1-CD1 3.47Å; L557-L765 VanDerWaalsContact CD1-CD1 3.47Å; L557-L765 HydrophobicContact CG-CD1 3.87Å
558	I	95.8	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-40	176.1	-59.8	165.9	0	0	0	111.1	F553 G554 K555 K560 C561 P565 F568 I730	F553-I558 HydrophobicContact CD2-CD1 4.34Å; F553-I558 HydrophobicContact CD2-CG1 4Å; F553-I558 HydrophobicContact CE2-CD1 3.96Å; F553-I558 HydrophobicContact CE2-CG1 3.72Å; G554-I558 WeakPolarHBondContact O-CG1 3.22Å; G554-I558 PolarHBondContact O-N 2.91Å; K555-I558 PolarHBondContact O-N 3.47Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 2.67Å; I558-C561 WeakPolarHBondContact O-CA 3.21Å; I558-C561 WeakPolarHBondContact O-CB 3.32Å; I558-C561 PolarHBondContact O-N 2.86Å; I558-P565 HydrophobicContact CD1-CB 4.37Å; I558-P565 HydrophobicContact CG2-CB 4.49Å; I558-P565 HydrophobicContact CG2-CG 4.45Å; I558-F568 HydrophobicContact CD1-CB 4.41Å; I558-F568 HydrophobicContact CD1-CD1 4Å; I558-F568 HydrophobicContact CD1-CG 4.2Å; I558-F568 HydrophobicContact CG1-CD1 4.19Å; I558-F568 HydrophobicContact CG1-CD2 4.33Å; I558-F568 HydrophobicContact CG1-CE1 4.43Å; I558-F568 HydrophobicContact CG1-CG 4.15Å; I558-F568 HydrophobicContact CG2-CB 3.68Å; I558-F568 HydrophobicContact CG2-CD2 3.74Å; I558-F568 HydrophobicContact CG2-CG 3.79Å; I558-I730 HydrophobicContact CD1-CD1 4.12Å
559	K	93.5	Very high	94.7	Very high	106 Å²	106	43.4 Å²	43.4	46%	0.461	21%	0.208	S	C	.	.	H	α-helix	trans	-63.9	-33.8	175.7	-76.1	170.2	-176.2	172.5	0	112.7	K555 L557 C561 R562 P565 E727	K555-K559 WeakPolarHBondContact O-CB 3.37Å; K555-K559 WeakPolarHBondContact O-CG 3.28Å; K555-K559 PolarHBondContact O-N 2.74Å; L557-K559 VanDerWaalsContact C-N 3.29Å; L557-K559 PolarHBondContact O-N 3.35Å; K559-C561 PolarHBondContact O-N 3.28Å; K559-R562 WeakPolarHBondContact O-CA 3.49Å; K559-R562 PolarHBondContact O-N 3.1Å; K559-P565 HydrophobicContact CG-CG 4.27Å; K559-E727 IonicContact NZ-OE1 2.73Å; K559-E727 IonicContact NZ-OE2 3.09Å
560	K	93.8	Very high	95	Very high	154 Å²	154	41.9 Å²	41.9	67%	0.67	20%	0.199	S	C	*	.	H	α-helix	trans	-64	-28.6	173.6	-67.2	178.2	-173.9	173.3	0	111.9	G556 L557 I558 R562	G556-K560 PolarHBondContact O-N 2.7Å; L557-K560 HydrophobicContact CD1-CD 4.11Å; L557-K560 WeakPolarHBondContact O-CB 3.32Å; L557-K560 PolarHBondContact O-N 3.44Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 2.67Å; K560-R562 PolarHBondContact O-N 2.92Å
561	C	92.6	Very high	95.1	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.041	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.5	171.4	-54.4	0	0	0	0	113.4	L557 I558 K559 T563 F763	L557-C561 PolarHBondContact O-N 2.81Å; L557-C561 PolarHBondContact O-SG 3.01Å; L557-C561 VanDerWaalsContact O-SG 3.37Å; I558-C561 WeakPolarHBondContact O-CA 3.21Å; I558-C561 WeakPolarHBondContact O-CB 3.32Å; I558-C561 PolarHBondContact O-N 2.86Å; K559-C561 PolarHBondContact O-N 3.28Å; C561-T563 VanDerWaalsContact C-N 3.27Å; C561-T563 PolarHBondContact O-N 2.87Å; C561-F763 HydrophobicContact CB-CD1 3.75Å; C561-F763 HydrophobicContact CB-CD2 4.01Å; C561-F763 HydrophobicContact CB-CE1 3.6Å; C561-F763 HydrophobicContact CB-CE2 3.88Å; C561-F763 HydrophobicContact CB-CG 3.95Å; C561-F763 HydrophobicContact CB-CZ 3.67Å; C561-F763 WeakPolarHBondContact O-CE1 3.47Å
562	R	91.3	Very high	95.4	Very high	238 Å²	238	36.4 Å²	36.4	90%	0.898	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	32.9	-173.8	-54.9	-175.9	178.2	-176.2	0.2	113.5	K559 K560	K559-R562 WeakPolarHBondContact O-CA 3.49Å; K559-R562 PolarHBondContact O-N 3.1Å; K560-R562 PolarHBondContact O-N 2.92Å
563	T	92.8	Very high	95.6	Very high	13 Å²	13	33.1 Å²	33.1	8%	0.08	15%	0.152	C	C	.	.	S	Bend	trans	-117.1	149.2	179.2	-57.5	0	0	0	0	110.2	C561 F568 A635	C561-T563 VanDerWaalsContact C-N 3.27Å; C561-T563 PolarHBondContact O-N 2.87Å; T563-F568 HydrophobicContact CG2-CB 4.1Å; T563-F568 HydrophobicContact CG2-CD2 4.3Å; T563-A635 HydrophobicContact CG2-CB 3.77Å
564	S	93.8	Very high	95.7	Very high	28 Å²	28	32.8 Å²	32.8	20%	0.196	15%	0.15	C	C	.	.			trans	-59.8	130.6	169.9	-147.6	0	0	0	0	110	D566 A567 F568 Q639	S564-D566 VanDerWaalsContact C-N 3.26Å; S564-D566 PolarHBondContact O-N 2.75Å; S564-A567 PolarHBondContact O-N 3.45Å; S564-F568 VanDerWaalsContact O-CB 3.29Å; S564-F568 WeakPolarHBondContact O-CB 3.49Å; S564-F568 PolarHBondContact O-N 3.27Å; S564-Q639 PolarHBondContact OG-NE2 3.48Å
565	P	96.1	Very high	95.9	Very high	23 Å²	23	32.8 Å²	32.8	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-54.6	-43.8	171.7	-28	36.7	0	0	0	112.9	K555 I558 K559 F568 I569 I724	K555-P565 HydrophobicContact CB-CB 3.96Å; K555-P565 HydrophobicContact CB-CG 3.74Å; I558-P565 HydrophobicContact CD1-CB 4.37Å; I558-P565 HydrophobicContact CG2-CB 4.49Å; I558-P565 HydrophobicContact CG2-CG 4.45Å; K559-P565 HydrophobicContact CG-CG 4.27Å; P565-F568 WeakPolarHBondContact O-CB 3.47Å; P565-F568 PolarHBondContact O-N 3.24Å; P565-I569 VanDerWaalsContact O-CG1 3.31Å; P565-I569 WeakPolarHBondContact O-CG1 2.81Å; P565-I569 PolarHBondContact O-N 2.9Å; P565-I569 VanDerWaalsContact O-N 3.09Å; P565-I724 HydrophobicContact CB-CD1 3.72Å
566	D	95.7	Very high	96.1	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.08	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-50.5	179.4	-178.6	68.5	0	0	0	112.9	S564 F568 I569 Q570 H638 Q686 Y722	S564-D566 VanDerWaalsContact C-N 3.26Å; S564-D566 PolarHBondContact O-N 2.75Å; D566-F568 VanDerWaalsContact C-N 3.28Å; D566-F568 PolarHBondContact O-N 3.18Å; D566-I569 PolarHBondContact O-N 3.25Å; D566-I569 VanDerWaalsContact O-N 3.15Å; D566-Q570 WeakPolarHBondContact O-CG 3.37Å; D566-Q570 PolarHBondContact O-N 2.79Å; D566-H638 IonicContact OD2-NE2 2.84Å; D566-Q686 PolarHBondContact OD1-OE1 2.99Å; D566-Y722 PolarHBondContact OD1-OH 3.25Å
567	A	97.3	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-36.7	175.7	0	0	0	0	0	112.6	S564 Q570 I571 A635 H638 Q639	S564-A567 PolarHBondContact O-N 3.45Å; A567-Q570 PolarHBondContact O-N 2.92Å; A567-I571 WeakPolarHBondContact O-CB 3.15Å; A567-I571 WeakPolarHBondContact O-CD1 3.44Å; A567-I571 WeakPolarHBondContact O-CG1 3.44Å; A567-I571 PolarHBondContact O-N 2.86Å; A567-A635 HydrophobicContact CB-CB 4.28Å; A567-H638 HydrophobicContact CB-CB 3.99Å; A567-Q639 HydrophobicContact CB-CG 4.37Å
568	F	98.4	Very high	96.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-48.3	175.7	-173.5	-75.6	0	0	0	110.8	F553 I558 T563 S564 P565 D566 I571 A572 M756 I759 L760 F763	F553-F568 AromaticContact CE2-CE1 3.97Å; F553-F568 HydrophobicContact CE2-CE1 3.97Å; F553-F568 HydrophobicContact CE2-CZ 4.23Å; F553-F568 AromaticContact CZ-CE1 3.88Å; F553-F568 HydrophobicContact CZ-CE1 3.88Å; F553-F568 HydrophobicContact CZ-CZ 4.08Å; I558-F568 HydrophobicContact CD1-CB 4.41Å; I558-F568 HydrophobicContact CD1-CD1 4Å; I558-F568 HydrophobicContact CD1-CG 4.2Å; I558-F568 HydrophobicContact CG1-CD1 4.19Å; I558-F568 HydrophobicContact CG1-CD2 4.33Å; I558-F568 HydrophobicContact CG1-CE1 4.43Å; I558-F568 HydrophobicContact CG1-CG 4.15Å; I558-F568 HydrophobicContact CG2-CB 3.68Å; I558-F568 HydrophobicContact CG2-CD2 3.74Å; I558-F568 HydrophobicContact CG2-CG 3.79Å; T563-F568 HydrophobicContact CG2-CB 4.1Å; T563-F568 HydrophobicContact CG2-CD2 4.3Å; S564-F568 VanDerWaalsContact O-CB 3.29Å; S564-F568 WeakPolarHBondContact O-CB 3.49Å; S564-F568 PolarHBondContact O-N 3.27Å; P565-F568 WeakPolarHBondContact O-CB 3.47Å; P565-F568 PolarHBondContact O-N 3.24Å; D566-F568 VanDerWaalsContact C-N 3.28Å; D566-F568 PolarHBondContact O-N 3.18Å; F568-I571 PolarHBondContact O-N 3.38Å; F568-A572 WeakPolarHBondContact O-CB 3.43Å; F568-A572 PolarHBondContact O-N 3.45Å; F568-M756 HydrophobicContact CD1-CE 3.97Å; F568-M756 HydrophobicContact CD1-SD 3.73Å; F568-M756 HydrophobicContact CE1-CE 3.86Å; F568-M756 HydrophobicContact CE1-SD 3.64Å; F568-I759 HydrophobicContact CD2-CG2 3.95Å; F568-I759 HydrophobicContact CE1-CB 4.31Å; F568-I759 HydrophobicContact CE1-CG2 4.17Å; F568-I759 HydrophobicContact CE2-CB 4.16Å; F568-I759 HydrophobicContact CE2-CG2 3.31Å; F568-I759 HydrophobicContact CZ-CB 3.74Å; F568-I759 HydrophobicContact CZ-CG2 3.43Å; F568-I759 VanDerWaalsContact CZ-CG2 3.43Å; F568-L760 HydrophobicContact CZ-CB 4.3Å; F568-F763 HydrophobicContact CE2-CE2 4.42Å
569	I	98.5	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-49.9	178.1	-67.3	164.9	0	0	0	110.1	P565 D566 I571 A572 L573 Y722 I724 I730 F732 M756	P565-I569 VanDerWaalsContact O-CG1 3.31Å; P565-I569 WeakPolarHBondContact O-CG1 2.81Å; P565-I569 PolarHBondContact O-N 2.9Å; P565-I569 VanDerWaalsContact O-N 3.09Å; D566-I569 PolarHBondContact O-N 3.25Å; D566-I569 VanDerWaalsContact O-N 3.15Å; I569-I571 VanDerWaalsContact C-N 3.31Å; I569-I571 PolarHBondContact O-N 3.43Å; I569-A572 CarbonylContact O-C 3.55Å; I569-A572 WeakPolarHBondContact O-CA 3.49Å; I569-A572 WeakPolarHBondContact O-CB 3.24Å; I569-A572 PolarHBondContact O-N 2.98Å; I569-L573 HydrophobicContact CG2-CD1 4.4Å; I569-L573 HydrophobicContact CG2-CG 4.35Å; I569-L573 WeakPolarHBondContact O-CG 3.3Å; I569-L573 PolarHBondContact O-N 2.83Å; I569-Y722 HydrophobicContact CB-CE2 4.37Å; I569-Y722 HydrophobicContact CD1-CD2 3.84Å; I569-Y722 HydrophobicContact CD1-CE2 3.95Å; I569-Y722 HydrophobicContact CG2-CD1 4.07Å; I569-Y722 HydrophobicContact CG2-CD2 4.07Å; I569-Y722 HydrophobicContact CG2-CE1 3.99Å; I569-Y722 HydrophobicContact CG2-CE2 4Å; I569-Y722 HydrophobicContact CG2-CG 4.12Å; I569-I724 HydrophobicContact CD1-CD1 3.87Å; I569-I724 HydrophobicContact CD1-CG1 4.07Å; I569-I730 HydrophobicContact CD1-CD1 4.04Å; I569-I730 HydrophobicContact CD1-CG2 4.09Å; I569-I730 HydrophobicContact CG1-CD1 4.39Å; I569-F732 HydrophobicContact CG1-CZ 4.49Å; I569-F732 HydrophobicContact CG2-CE1 3.66Å; I569-F732 HydrophobicContact CG2-CZ 3.99Å; I569-M756 HydrophobicContact CG1-CE 3.98Å; I569-M756 HydrophobicContact CG1-SD 4.2Å
570	Q	98.6	Very high	96.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-40.6	-179.9	-73.9	-73	-21	0	0	112.7	D566 A567 L573 Q574 E589 S606 T684 Y722	D566-Q570 WeakPolarHBondContact O-CG 3.37Å; D566-Q570 PolarHBondContact O-N 2.79Å; A567-Q570 PolarHBondContact O-N 2.92Å; Q570-L573 WeakPolarHBondContact O-CB 3.32Å; Q570-L573 PolarHBondContact O-N 3.27Å; Q570-Q574 WeakPolarHBondContact O-CG 3.37Å; Q570-Q574 PolarHBondContact O-N 2.64Å; Q570-Q574 VanDerWaalsContact O-N 3.11Å; Q570-E589 VanDerWaalsContact CG-OE1 3.26Å; Q570-E589 WeakPolarHBondContact CG-OE1 3.48Å; Q570-E589 PolarHBondContact NE2-OE1 3.37Å; Q570-S606 PolarHBondContact OE1-OG 3.01Å; Q570-T684 PolarHBondContact NE2-OG1 3.29Å; Q570-Y722 PolarHBondContact NE2-OH 3.39Å
571	I	98.7	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-39	174.6	-68.3	165.3	0	0	0	111.2	A567 F568 I569 L573 Q574 L575 T611 F614 L631 A634 A635 I759	A567-I571 WeakPolarHBondContact O-CB 3.15Å; A567-I571 WeakPolarHBondContact O-CD1 3.44Å; A567-I571 WeakPolarHBondContact O-CG1 3.44Å; A567-I571 PolarHBondContact O-N 2.86Å; F568-I571 PolarHBondContact O-N 3.38Å; I569-I571 VanDerWaalsContact C-N 3.31Å; I569-I571 PolarHBondContact O-N 3.43Å; I571-L573 VanDerWaalsContact C-N 3.31Å; I571-L573 PolarHBondContact O-N 2.75Å; I571-Q574 PolarHBondContact O-N 3.23Å; I571-L575 PolarHBondContact O-N 2.82Å; I571-T611 HydrophobicContact CG1-CG2 4.15Å; I571-T611 HydrophobicContact CG2-CG2 4.35Å; I571-F614 HydrophobicContact CG2-CD1 3.38Å; I571-F614 HydrophobicContact CG2-CE1 3.43Å; I571-F614 VanDerWaalsContact CG2-CE1 3.43Å; I571-F614 HydrophobicContact CG2-CG 4.49Å; I571-L631 HydrophobicContact CD1-CD1 4.14Å; I571-L631 HydrophobicContact CG2-CD1 3.97Å; I571-A634 HydrophobicContact CD1-CB 3.76Å; I571-A634 HydrophobicContact CG1-CB 4.36Å; I571-A635 HydrophobicContact CD1-CB 3.95Å; I571-I759 HydrophobicContact CG2-CD1 4.26Å
572	A	98.6	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-39.4	173.9	0	0	0	0	0	111.9	F568 I569 Q574 L575 A576 S755 M756 I759	F568-A572 WeakPolarHBondContact O-CB 3.43Å; F568-A572 PolarHBondContact O-N 3.45Å; I569-A572 CarbonylContact O-C 3.55Å; I569-A572 WeakPolarHBondContact O-CA 3.49Å; I569-A572 WeakPolarHBondContact O-CB 3.24Å; I569-A572 PolarHBondContact O-N 2.98Å; A572-Q574 VanDerWaalsContact C-N 3.33Å; A572-Q574 PolarHBondContact O-N 2.76Å; A572-L575 PolarHBondContact O-N 2.7Å; A572-A576 WeakPolarHBondContact O-CB 3.5Å; A572-A576 PolarHBondContact O-N 3.13Å; A572-S755 WeakPolarHBondContact O-CB 3.33Å; A572-M756 HydrophobicContact CB-CG 3.94Å; A572-M756 HydrophobicContact CB-SD 3.46Å; A572-M756 WeakPolarHBondContact CB-SD 3.18Å; A572-I759 HydrophobicContact CB-CD1 3.7Å
573	L	98.7	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-39.6	174.1	-63.1	-178.8	0	0	0	111.6	I569 Q570 I571 A576 H577 L682 T684 V720 Y722 I752	I569-L573 HydrophobicContact CG2-CD1 4.4Å; I569-L573 HydrophobicContact CG2-CG 4.35Å; I569-L573 WeakPolarHBondContact O-CG 3.3Å; I569-L573 PolarHBondContact O-N 2.83Å; Q570-L573 WeakPolarHBondContact O-CB 3.32Å; Q570-L573 PolarHBondContact O-N 3.27Å; I571-L573 VanDerWaalsContact C-N 3.31Å; I571-L573 PolarHBondContact O-N 2.75Å; L573-A576 PolarHBondContact O-N 3.33Å; L573-H577 VanDerWaalsContact O-CB 3.3Å; L573-H577 WeakPolarHBondContact O-CB 2.88Å; L573-H577 PolarHBondContact O-N 3.21Å; L573-L682 HydrophobicContact CB-CD2 4.29Å; L573-T684 HydrophobicContact CD1-CG2 3.79Å; L573-V720 HydrophobicContact CD1-CG1 4.23Å; L573-V720 HydrophobicContact CD2-CG1 4.1Å; L573-Y722 HydrophobicContact CD1-CE1 4.38Å; L573-I752 HydrophobicContact CD2-CD1 3.53Å; L573-I752 HydrophobicContact CD2-CG1 3.69Å; L573-I752 HydrophobicContact CD2-CG2 4.13Å
574	Q	98.6	Very high	97	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-41.8	175	-65.9	-58	-61.5	0	0	112.3	Q570 I571 A572 H577 F578 T587 T611 V615	Q570-Q574 WeakPolarHBondContact O-CG 3.37Å; Q570-Q574 PolarHBondContact O-N 2.64Å; Q570-Q574 VanDerWaalsContact O-N 3.11Å; I571-Q574 PolarHBondContact O-N 3.23Å; A572-Q574 VanDerWaalsContact C-N 3.33Å; A572-Q574 PolarHBondContact O-N 2.76Å; Q574-H577 PolarHBondContact O-N 3.08Å; Q574-F578 WeakPolarHBondContact O-CB 3.32Å; Q574-F578 PolarHBondContact O-N 3.35Å; Q574-T587 PolarHBondContact NE2-OG1 2.78Å; Q574-T611 HydrophobicContact CB-CG2 3.6Å; Q574-T611 HydrophobicContact CG-CG2 3.58Å; Q574-V615 HydrophobicContact CB-CG2 4.06Å
575	L	98.6	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-46.5	175.9	179.1	57.2	0	0	0	111.4	I571 A572 H577 F578 R579 V615 M618 I759	I571-L575 PolarHBondContact O-N 2.82Å; A572-L575 PolarHBondContact O-N 2.7Å; L575-H577 VanDerWaalsContact C-N 3.35Å; L575-H577 PolarHBondContact O-N 3.44Å; L575-F578 PolarHBondContact O-N 3.32Å; L575-R579 HydrophobicContact CD1-CG 4.47Å; L575-R579 WeakPolarHBondContact O-CG 3.39Å; L575-R579 PolarHBondContact O-N 2.92Å; L575-V615 HydrophobicContact CB-CG2 4.09Å; L575-V615 HydrophobicContact CD1-CG1 4.01Å; L575-V615 HydrophobicContact CD1-CG2 4.5Å; L575-M618 HydrophobicContact CD1-CB 3.78Å; L575-M618 HydrophobicContact CD1-CG 4.38Å; L575-M618 HydrophobicContact CD2-CB 4.29Å; L575-M618 HydrophobicContact CD2-CE 4.08Å; L575-M618 HydrophobicContact CD2-CG 4.19Å; L575-I759 HydrophobicContact CD2-CD1 4.22Å; L575-I759 HydrophobicContact CD2-CG1 4.08Å
576	A	98.4	Very high	97.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-45.6	176.8	0	0	0	0	0	111.3	A572 L573 F578 R579 N580 F748 D751 I752 S755	A572-A576 WeakPolarHBondContact O-CB 3.5Å; A572-A576 PolarHBondContact O-N 3.13Å; L573-A576 PolarHBondContact O-N 3.33Å; A576-F578 VanDerWaalsContact C-N 3.35Å; A576-F578 PolarHBondContact O-N 3.17Å; A576-R579 PolarHBondContact O-N 3.32Å; A576-N580 WeakPolarHBondContact O-CB 3.45Å; A576-N580 PolarHBondContact O-N 2.69Å; A576-F748 HydrophobicContact CB-CD2 4.3Å; A576-F748 HydrophobicContact CB-CE2 3.75Å; A576-D751 HydrophobicContact CB-CB 3.88Å; A576-I752 HydrophobicContact CB-CB 4.39Å; A576-I752 HydrophobicContact CB-CG1 3.73Å; A576-S755 WeakPolarHBondContact CA-OG 3.44Å; A576-S755 PolarHBondContact N-OG 2.85Å
577	H	97.9	Very high	97.2	Very high	3 Å²	3	18 Å²	18	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-42.9	-178.6	179.9	-78.3	0	0	0	110.8	L573 Q574 L575 R579 N580 K581 K583 C585 L682 F748	L573-H577 VanDerWaalsContact O-CB 3.3Å; L573-H577 WeakPolarHBondContact O-CB 2.88Å; L573-H577 PolarHBondContact O-N 3.21Å; Q574-H577 PolarHBondContact O-N 3.08Å; L575-H577 VanDerWaalsContact C-N 3.35Å; L575-H577 PolarHBondContact O-N 3.44Å; H577-R579 VanDerWaalsContact C-N 3.35Å; H577-R579 PolarHBondContact O-N 3.49Å; H577-N580 PolarHBondContact O-N 3.27Å; H577-K581 WeakPolarHBondContact O-CB 3.35Å; H577-K581 PolarHBondContact O-N 3.27Å; H577-K583 PolarHBondContact CE1-O 3.44Å; H577-K583 PolarHBondContact ND1-O 3.34Å; H577-K583 VanDerWaalsContact ND1-O 3.16Å; H577-C585 PolarHBondContact CE1-SG 3.34Å; H577-C585 PolarHBondContact NE2-SG 3.39Å; H577-L682 HydrophobicContact CB-CD2 4.46Å; H577-F748 HydrophobicContact CB-CE2 4.01Å; H577-F748 HydrophobicContact CB-CZ 4.3Å
578	F	97.8	Very high	97.3	Very high	38 Å²	38	19.6 Å²	19.6	17%	0.167	10%	0.1	C	C	.	.	H	α-helix	trans	-65.3	-36.9	178	-171.1	-96.3	0	0	0	112.4	Q574 L575 A576 G582 F584 V615 V619	Q574-F578 WeakPolarHBondContact O-CB 3.32Å; Q574-F578 PolarHBondContact O-N 3.35Å; L575-F578 PolarHBondContact O-N 3.32Å; A576-F578 VanDerWaalsContact C-N 3.35Å; A576-F578 PolarHBondContact O-N 3.17Å; F578-G582 WeakPolarHBondContact O-CA 3.36Å; F578-G582 PolarHBondContact O-N 3.39Å; F578-F584 HydrophobicContact CB-CE1 4.24Å; F578-F584 AromaticContact CD2-CD1 3.98Å; F578-F584 HydrophobicContact CD2-CD1 3.98Å; F578-F584 HydrophobicContact CD2-CD2 4.08Å; F578-F584 AromaticContact CD2-CE1 3.65Å; F578-F584 HydrophobicContact CD2-CE1 3.65Å; F578-F584 AromaticContact CD2-CE2 3.75Å; F578-F584 HydrophobicContact CD2-CE2 3.75Å; F578-F584 HydrophobicContact CD2-CG 4.18Å; F578-F584 AromaticContact CD2-CZ 3.52Å; F578-F584 HydrophobicContact CD2-CZ 3.52Å; F578-F584 HydrophobicContact CE2-CD2 4.06Å; F578-F584 HydrophobicContact CE2-CE1 4.33Å; F578-F584 AromaticContact CE2-CE2 3.6Å; F578-F584 HydrophobicContact CE2-CE2 3.6Å; F578-F584 AromaticContact CE2-CZ 3.75Å; F578-F584 HydrophobicContact CE2-CZ 3.75Å; F578-F584 HydrophobicContact CG-CE1 4.12Å; F578-F584 HydrophobicContact CG-CZ 4.15Å; F578-F584 HydrophobicContact CZ-CE2 4.49Å; F578-V615 HydrophobicContact CB-CG1 3.46Å; F578-V615 VanDerWaalsContact CB-CG1 3.46Å; F578-V615 HydrophobicContact CD1-CG1 3.66Å; F578-V615 HydrophobicContact CD2-CG1 4.35Å; F578-V615 HydrophobicContact CG-CG1 3.55Å; F578-V619 HydrophobicContact CD1-CG2 3.96Å; F578-V619 HydrophobicContact CE1-CB 4.48Å; F578-V619 HydrophobicContact CE1-CG2 4.02Å
579	R	95.8	Very high	97.3	Very high	83 Å²	83	19.6 Å²	19.6	31%	0.313	10%	0.1	S	C	.	.	H	α-helix	trans	-63.4	-43.3	172.1	-74.7	170.2	170.8	177.8	-9.8	112.1	L575 A576 H577 S755 D758	L575-R579 HydrophobicContact CD1-CG 4.47Å; L575-R579 WeakPolarHBondContact O-CG 3.39Å; L575-R579 PolarHBondContact O-N 2.92Å; A576-R579 PolarHBondContact O-N 3.32Å; H577-R579 VanDerWaalsContact C-N 3.35Å; H577-R579 PolarHBondContact O-N 3.49Å; R579-S755 PolarHBondContact NH1-OG 3.05Å; R579-D758 IonicContact CZ-OD2 3.15Å; R579-D758 IonicContact NH1-OD2 2.76Å; R579-D758 PolarHBondContact NH1-OD2 2.95Å; R579-D758 IonicContact NH2-OD2 2.67Å; R579-D758 PolarHBondContact NH2-OD2 2.94Å
580	N	94.6	Very high	97.2	Very high	23 Å²	23	20.6 Å²	20.6	12%	0.123	11%	0.108	C	C	.	.	H	α-helix	trans	-70.6	-39.1	-177.3	-162.5	-91.4	0	0	0	112.9	A576 H577 Y718 R747 F748 D751	A576-N580 WeakPolarHBondContact O-CB 3.45Å; A576-N580 PolarHBondContact O-N 2.69Å; H577-N580 PolarHBondContact O-N 3.27Å; N580-Y718 PolarHBondContact OD1-OH 3.12Å; N580-R747 PolarHBondContact ND2-NE 3.08Å; N580-R747 PolarHBondContact OD1-NH2 2.96Å; N580-F748 HydrophobicContact CB-CD2 4.29Å; N580-D751 WeakPolarHBondContact CB-OD2 3.27Å; N580-D751 PolarHBondContact ND2-OD2 3.09Å
581	K	94.1	Very high	97.1	Very high	36 Å²	36	20.6 Å²	20.6	16%	0.157	11%	0.108	C	C	.	.	H	α-helix	trans	-114.6	-15.4	-168.9	-62.6	-77	-160	161.1	0	114.8	H577 K583 D716 E742	H577-K581 WeakPolarHBondContact O-CB 3.35Å; H577-K581 PolarHBondContact O-N 3.27Å; K581-K583 HydrophobicContact CB-CG 4.19Å; K581-K583 PolarHBondContact O-N 3.1Å; K581-K583 VanDerWaalsContact O-N 3.14Å; K581-D716 PolarHBondContact NZ-O 3.38Å; K581-E742 HydrophobicContact CD-CB 4.33Å; K581-E742 WeakPolarHBondContact CE-O 3.25Å; K581-E742 PolarHBondContact NZ-O 3.25Å; K581-E742 IonicContact NZ-OE2 3.58Å; K581-E742 PolarHBondContact NZ-OE2 3.29Å
582	G	94.6	Very high	96.8	Very high	55 Å²	55	22.6 Å²	22.6	57%	0.567	12%	0.118	S	C	*	.	S	Bend	trans	68.3	3.3	-174.3	0	0	0	0	0	115.4	F578	F578-G582 WeakPolarHBondContact O-CA 3.36Å; F578-G582 PolarHBondContact O-N 3.39Å
583	K	94.8	Very high	96.7	Very high	96 Å²	96	22.9 Å²	22.9	42%	0.417	12%	0.12	S	C	.	.	S	Bend	trans	-138.8	153.5	-178	65.5	-173.3	176.1	-170	0	111.4	H577 K581 E742	H577-K583 PolarHBondContact CE1-O 3.44Å; H577-K583 PolarHBondContact ND1-O 3.34Å; H577-K583 VanDerWaalsContact ND1-O 3.16Å; K581-K583 HydrophobicContact CB-CG 4.19Å; K581-K583 PolarHBondContact O-N 3.1Å; K581-K583 VanDerWaalsContact O-N 3.14Å; K583-E742 IonicContact NZ-OE1 3.14Å; K583-E742 IonicContact NZ-OE2 3.83Å; K583-E742 PolarHBondContact NZ-OE2 3Å
584	F	96.8	Very high	96.6	Very high	28 Å²	28	23.1 Å²	23.1	12%	0.123	12%	0.121	C	C	.	.			trans	-80.6	156.7	170.1	-64.1	-69.4	0	0	0	110.5	L194 F578 C612 V615 R616	L194-F584 HydrophobicContact CD2-CB 4.12Å; F578-F584 HydrophobicContact CB-CE1 4.24Å; F578-F584 AromaticContact CD2-CD1 3.98Å; F578-F584 HydrophobicContact CD2-CD1 3.98Å; F578-F584 HydrophobicContact CD2-CD2 4.08Å; F578-F584 AromaticContact CD2-CE1 3.65Å; F578-F584 HydrophobicContact CD2-CE1 3.65Å; F578-F584 AromaticContact CD2-CE2 3.75Å; F578-F584 HydrophobicContact CD2-CE2 3.75Å; F578-F584 HydrophobicContact CD2-CG 4.18Å; F578-F584 AromaticContact CD2-CZ 3.52Å; F578-F584 HydrophobicContact CD2-CZ 3.52Å; F578-F584 HydrophobicContact CE2-CD2 4.06Å; F578-F584 HydrophobicContact CE2-CE1 4.33Å; F578-F584 AromaticContact CE2-CE2 3.6Å; F578-F584 HydrophobicContact CE2-CE2 3.6Å; F578-F584 AromaticContact CE2-CZ 3.75Å; F578-F584 HydrophobicContact CE2-CZ 3.75Å; F578-F584 HydrophobicContact CG-CE1 4.12Å; F578-F584 HydrophobicContact CG-CZ 4.15Å; F578-F584 HydrophobicContact CZ-CE2 4.49Å; F584-C612 HydrophobicContact CD1-CB 4.46Å; F584-C612 VanDerWaalsContact CD1-SG 3.51Å; F584-C612 HydrophobicContact CD2-CB 4.3Å; F584-C612 HydrophobicContact CE1-CB 3.97Å; F584-C612 VanDerWaalsContact CE1-SG 3.59Å; F584-C612 HydrophobicContact CE2-CB 3.8Å; F584-C612 VanDerWaalsContact CG-SG 3.59Å; F584-C612 HydrophobicContact CZ-CB 3.62Å; F584-V615 HydrophobicContact CE1-CB 3.95Å; F584-V615 HydrophobicContact CE1-CG1 3.77Å; F584-V615 HydrophobicContact CE1-CG2 4.43Å; F584-V615 HydrophobicContact CZ-CB 4.1Å; F584-V615 HydrophobicContact CZ-CG1 3.93Å; F584-R616 HydrophobicContact CE2-CG 4.37Å; F584-R616 HydrophobicContact CZ-CG 4.26Å
585	C	96.4	Very high	96.5	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.034	12%	0.122	C	C	.	.			trans	-141.8	160.5	177.5	74.4	0	0	0	0	111.5	H577 T587 C607 R681	H577-C585 PolarHBondContact CE1-SG 3.34Å; H577-C585 PolarHBondContact NE2-SG 3.39Å; C585-T587 PolarHBondContact O-N 3.25Å; C585-T587 VanDerWaalsContact O-N 3.16Å; C585-T587 PolarHBondContact O-OG1 3.23Å; C585-C607 VanDerWaalsContact O-CB 3.27Å; C585-C607 WeakPolarHBondContact O-CB 3.3Å; C585-R681 HydrophobicContact CB-CB 3.96Å
586	L	96.6	Very high	96.4	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	12%	0.123	C	C	.	.			trans	-63.3	118.2	172.2	-172.1	67.3	0	0	0	109.5	L194 E678 W680 R681	L194-L586 HydrophobicContact CD1-CB 3.93Å; L194-L586 HydrophobicContact CD1-CD1 3.79Å; L194-L586 HydrophobicContact CD1-CG 4.46Å; L586-E678 HydrophobicContact CB-CG 4.08Å; L586-E678 HydrophobicContact CD2-CB 4.02Å; L586-E678 HydrophobicContact CD2-CG 3.88Å; L586-W680 HydrophobicContact CB-CE3 4.4Å; L586-W680 HydrophobicContact CD1-CE3 4.23Å; L586-W680 HydrophobicContact CD1-CH2 4.12Å; L586-W680 HydrophobicContact CD1-CZ3 3.66Å; L586-W680 HydrophobicContact CD2-CD2 3.82Å; L586-W680 HydrophobicContact CD2-CE3 3.59Å; L586-W680 HydrophobicContact CD2-CH2 3.86Å; L586-W680 HydrophobicContact CD2-CZ2 4.06Å; L586-W680 HydrophobicContact CD2-CZ3 3.63Å; L586-W680 HydrophobicContact CG-CD2 4.14Å; L586-W680 HydrophobicContact CG-CE3 3.4Å; L586-W680 HydrophobicContact CG-CH2 4.02Å; L586-W680 HydrophobicContact CG-CZ3 3.35Å; L586-R681 PolarHBondContact O-N 3.43Å
587	T	98.3	Very high	96.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.1	-175.8	-58.7	0	0	0	0	111	Q574 C585 R605 S606 L682 T684	Q574-T587 PolarHBondContact NE2-OG1 2.78Å; C585-T587 PolarHBondContact O-N 3.25Å; C585-T587 VanDerWaalsContact O-N 3.16Å; C585-T587 PolarHBondContact O-OG1 3.23Å; T587-R605 WeakPolarHBondContact O-CA 3.15Å; T587-S606 PolarHBondContact O-N 2.85Å; T587-L682 CarbonylContact C-O 3.28Å; T587-L682 VanDerWaalsContact CA-O 3.29Å; T587-L682 WeakPolarHBondContact CA-O 3.45Å; T587-L682 HydrophobicContact CG2-CB 4.04Å; T587-L682 HydrophobicContact CG2-CD2 3.78Å; T587-L682 HydrophobicContact CG2-CG 3.84Å; T587-T684 HydrophobicContact CG2-CG2 4.33Å
588	Y	98.3	Very high	96.2	Very high	35 Å²	35	29.6 Å²	29.6	14%	0.137	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.9	175.2	179.8	-89.4	0	0	0	110	A590 T603 R653 W680 L682 T684	Y588-A590 HydrophobicContact CE1-CB 3.87Å; Y588-T603 HydrophobicContact CD2-CG2 3.28Å; Y588-T603 HydrophobicContact CE2-CG2 3.53Å; Y588-T603 VanDerWaalsContact CE2-OG1 3.25Å; Y588-T603 WeakPolarHBondContact CE2-OG1 3.43Å; Y588-T603 HydrophobicContact CG-CG2 4.16Å; Y588-R653 PolarHBondContact OH-NH2 2.9Å; Y588-W680 VanDerWaalsContact CB-CE3 3.47Å; Y588-W680 HydrophobicContact CD2-CD2 4.26Å; Y588-W680 HydrophobicContact CD2-CE3 4.36Å; Y588-W680 HydrophobicContact CD2-CZ2 4.46Å; Y588-W680 HydrophobicContact CD2-CZ3 4.49Å; Y588-W680 HydrophobicContact CG-CD2 4.5Å; Y588-W680 HydrophobicContact CG-CE3 4.44Å; Y588-L682 PolarHBondContact N-O 3.35Å; Y588-T684 WeakPolarHBondContact O-CA 3.49Å; Y588-T684 WeakPolarHBondContact O-CB 3.48Å; Y588-T684 PolarHBondContact O-N 3.31Å; Y588-T684 PolarHBondContact O-OG1 3.3Å
589	E	98.4	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.4	161.4	170.9	-177.5	-129.4	0	0	109.8	Q570 S591 V604 H638 T684 Y722	Q570-E589 VanDerWaalsContact CG-OE1 3.26Å; Q570-E589 WeakPolarHBondContact CG-OE1 3.48Å; Q570-E589 PolarHBondContact NE2-OE1 3.37Å; E589-S591 PolarHBondContact O-N 3.49Å; E589-V604 HydrophobicContact CB-CB 4.06Å; E589-V604 HydrophobicContact CG-CB 4.37Å; E589-V604 PolarHBondContact N-O 3.24Å; E589-V604 PolarHBondContact O-N 3.46Å; E589-V604 WeakPolarHBondContact OE2-CB 3.38Å; E589-V604 WeakPolarHBondContact OE2-CG1 3.33Å; E589-H638 IonicContact OE1-NE2 3.51Å; E589-H638 IonicContact OE2-CE1 3.19Å; E589-H638 PolarHBondContact OE2-CE1 3.36Å; E589-H638 IonicContact OE2-NE2 3.78Å; E589-H638 PolarHBondContact OE2-NE2 2.68Å; E589-T684 WeakPolarHBondContact CA-O 3.27Å; E589-T684 WeakPolarHBondContact CA-OG1 3.41Å; E589-T684 WeakPolarHBondContact CB-OG1 3.24Å; E589-Y722 PolarHBondContact OE1-OH 2.94Å; E589-Y722 VanDerWaalsContact OE1-OH 3.12Å
590	A	96.8	Very high	96	Very high	21 Å²	21	24.7 Å²	24.7	17%	0.174	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.6	175.8	0	0	0	0	0	111.7	Y588 T684	Y588-A590 HydrophobicContact CE1-CB 3.87Å; A590-T684 PolarHBondContact N-O 3.29Å
591	S	95.9	Very high	96.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.2	170.7	-174.8	0	0	0	0	110.8	E589 T601 E602 M646	E589-S591 PolarHBondContact O-N 3.49Å; S591-T601 CarbonylContact O-C 3.5Å; S591-T601 WeakPolarHBondContact O-CA 3.21Å; S591-E602 PolarHBondContact N-O 2.64Å; S591-E602 PolarHBondContact O-N 3.17Å; S591-M646 WeakPolarHBondContact OG-CG 3.43Å
592	M	94	Very high	96.3	Very high	43 Å²	43	22.9 Å²	22.9	21%	0.212	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.2	-178.1	62.4	176.6	177.6	0	0	112.3	L297 M303 R594 M646	L297-M592 HydrophobicContact CD2-CE 4.14Å; M303-M592 HydrophobicContact SD-CE 3.7Å; M303-M592 HydrophobicContact SD-SD 3.78Å; M592-R594 HydrophobicContact CB-CG 4.34Å; M592-M646 HydrophobicContact CE-CE 3.84Å; M592-M646 HydrophobicContact CG-CE 4.48Å
593	T	96.2	Very high	96.4	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.031	10%	0.096	C	C	.	.			trans	-103.1	23.7	172.4	53.5	0	0	0	0	112.2	L175 L595 F596 R600 E602	L175-T593 HydrophobicContact CD1-CG2 4.21Å; T593-L595 PolarHBondContact O-N 2.97Å; T593-F596 WeakPolarHBondContact O-CD2 3.47Å; T593-F596 PolarHBondContact O-N 2.94Å; T593-R600 PolarHBondContact N-O 3.04Å; T593-R600 PolarHBondContact OG1-N 3.48Å; T593-R600 PolarHBondContact OG1-O 3.46Å; T593-E602 HydrophobicContact CG2-CB 3.61Å
594	R	96.1	Very high	96.6	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.019	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-0.9	-176.5	-67.4	176.8	62.3	-161.5	0.4	114.2	M303 C304 M592 F596 G599	M303-R594 CarbonylContact C-O 3.55Å; M303-R594 WeakPolarHBondContact CA-O 3.45Å; M303-R594 HydrophobicContact CB-CB 4.13Å; M303-R594 HydrophobicContact CG-CB 4.44Å; M303-R594 HydrophobicContact SD-CB 4.47Å; C304-R594 HydrophobicContact CB-CB 4.36Å; C304-R594 WeakPolarHBondContact CB-O 3.36Å; C304-R594 PolarHBondContact N-O 2.71Å; C304-R594 PolarHBondContact O-NE 2.56Å; C304-R594 PolarHBondContact O-NH2 3.25Å; M592-R594 HydrophobicContact CB-CG 4.34Å; R594-F596 PolarHBondContact O-N 3.11Å; R594-G599 WeakPolarHBondContact CG-O 3.36Å
595	L	96.4	Very high	96.6	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.042	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.9	164.3	-64.4	-179.2	0	0	0	112.1	W136 M137 P173 L297 I301 T593 M646	W136-L595 HydrophobicContact CZ2-CD1 4.38Å; M137-L595 HydrophobicContact CE-CD1 3.91Å; P173-L595 WeakPolarHBondContact CD-O 3.48Å; L297-L595 HydrophobicContact CD1-CD2 3.84Å; I301-L595 HydrophobicContact CG2-CD2 4Å; T593-L595 PolarHBondContact O-N 2.97Å; L595-M646 HydrophobicContact CD1-CE 4.47Å
596	F	97.1	Very high	96.7	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.018	7%	0.072	C	C	.	.	S	Bend	trans	-107.7	152.7	-179.8	-53.6	-75.4	0	0	0	111.5	H134 P173 R174 L175 P176 C304 T593 R594 E598 G599 M646 T647	H134-F596 AromaticContact CE1-CE1 3.7Å; H134-F596 AromaticContact CE1-CZ 3.62Å; H134-F596 AromaticContact NE2-CZ 3.83Å; P173-F596 HydrophobicContact CB-CD1 4.02Å; P173-F596 HydrophobicContact CB-CE1 4.34Å; P173-F596 HydrophobicContact CG-CD1 3.7Å; P173-F596 HydrophobicContact CG-CE1 4.02Å; P173-F596 CarbonylContact O-C 3.53Å; P173-F596 WeakPolarHBondContact O-CA 3.43Å; R174-F596 VanDerWaalsContact O-CD1 3.22Å; R174-F596 WeakPolarHBondContact O-CD1 3.45Å; L175-F596 HydrophobicContact CB-CB 4.14Å; L175-F596 HydrophobicContact CB-CG 4.25Å; L175-F596 HydrophobicContact CD1-CB 4.21Å; L175-F596 HydrophobicContact CD1-CD2 3.33Å; L175-F596 HydrophobicContact CD1-CE2 3.82Å; L175-F596 HydrophobicContact CD1-CG 3.81Å; P176-F596 VanDerWaalsContact CD-CZ 3.48Å; P176-F596 HydrophobicContact CG-CE1 4.23Å; P176-F596 HydrophobicContact CG-CZ 4.06Å; C304-F596 VanDerWaalsContact CB-O 3.26Å; C304-F596 WeakPolarHBondContact CB-O 3.27Å; T593-F596 WeakPolarHBondContact O-CD2 3.47Å; T593-F596 PolarHBondContact O-N 2.94Å; R594-F596 PolarHBondContact O-N 3.11Å; F596-E598 PolarHBondContact O-N 3.31Å; F596-G599 PolarHBondContact O-N 3.18Å; F596-G599 VanDerWaalsContact O-N 3.1Å; F596-M646 WeakPolarHBondContact CE2-O 3.33Å; F596-T647 VanDerWaalsContact CE2-C 3.46Å; F596-T647 VanDerWaalsContact CZ-O 3.29Å; F596-T647 WeakPolarHBondContact CZ-O 3.38Å
597	R	95.7	Very high	96.7	Very high	72 Å²	72	15.1 Å²	15.1	27%	0.272	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	131.3	173.9	-176.7	177	175.5	146.5	-2	109.9	Q169 N170 L172 P173 N231 G599	Q169-R597 WeakPolarHBondContact O-CD 3.26Å; Q169-R597 PolarHBondContact O-NH1 3.27Å; N170-R597 PolarHBondContact OD1-NH1 2.83Å; L172-R597 HydrophobicContact CB-CB 4.1Å; P173-R597 PolarHBondContact O-N 3.35Å; N231-R597 PolarHBondContact ND2-O 2.7Å; R597-G599 PolarHBondContact O-N 3.45Å
598	E	95.3	Very high	96.7	Very high	57 Å²	57	15.3 Å²	15.3	27%	0.266	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	19.4	-178.5	-67	154.2	-137.1	0	0	114.1	S230 N231 S234 C304 A306 F596 R600	S230-E598 VanDerWaalsContact CB-OE1 3.25Å; S230-E598 WeakPolarHBondContact CB-OE1 3.41Å; S230-E598 VanDerWaalsContact CB-OE2 3.32Å; S230-E598 WeakPolarHBondContact CB-OE2 3.15Å; S230-E598 VanDerWaalsContact OG-CD 3.23Å; S230-E598 PolarHBondContact OG-OE1 3.23Å; S230-E598 PolarHBondContact OG-OE2 2.85Å; N231-E598 HydrophobicContact CB-CB 4.08Å; S234-E598 PolarHBondContact OG-O 3Å; C304-E598 PolarHBondContact SG-N 3.44Å; A306-E598 HydrophobicContact CB-CG 3.96Å; F596-E598 PolarHBondContact O-N 3.31Å; E598-R600 PolarHBondContact O-N 2.82Å
599	G	95.4	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.			trans	-62.8	131.9	175.5	0	0	0	0	0	112.4	Q307 R594 F596 R597	Q307-G599 PolarHBondContact NE2-O 3.1Å; R594-G599 WeakPolarHBondContact CG-O 3.36Å; F596-G599 PolarHBondContact O-N 3.18Å; F596-G599 VanDerWaalsContact O-N 3.1Å; R597-G599 PolarHBondContact O-N 3.45Å
600	R	94.8	Very high	96.7	Very high	18 Å²	18	18.7 Å²	18.7	7%	0.068	9%	0.091	C	C	.	.			trans	-102.7	-102.4	170.4	-70.1	-74.2	-59.4	-113.7	-1.8	107.8	Q307 H473 S474 W475 A476 D477 T593 E598	Q307-R600 VanDerWaalsContact CD-CD 3.5Å; H473-R600 PolarHBondContact O-NH2 3.04Å; S474-R600 PolarHBondContact O-NH1 3.16Å; W475-R600 PolarHBondContact O-NH1 2.99Å; A476-R600 VanDerWaalsContact C-NH2 3.29Å; A476-R600 PolarHBondContact O-NH2 3.26Å; D477-R600 IonicContact OD1-CZ 2.78Å; D477-R600 IonicContact OD1-NE 2.9Å; D477-R600 PolarHBondContact OD1-NE 3.03Å; D477-R600 IonicContact OD1-NH2 3.37Å; D477-R600 PolarHBondContact OD1-NH2 2.95Å; D477-R600 WeakPolarHBondContact OD2-CA 3.37Å; D477-R600 IonicContact OD2-CZ 3.01Å; D477-R600 IonicContact OD2-NE 3.28Å; D477-R600 PolarHBondContact OD2-NE 2.92Å; T593-R600 PolarHBondContact N-O 3.04Å; T593-R600 PolarHBondContact OG1-N 3.48Å; T593-R600 PolarHBondContact OG1-O 3.46Å; E598-R600 PolarHBondContact O-N 2.82Å
601	T	96.3	Very high	96.8	Very high	15 Å²	15	17.8 Å²	17.8	9%	0.092	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.9	-175.1	57.2	0	0	0	0	112.1	S591 R653	S591-T601 CarbonylContact O-C 3.5Å; S591-T601 WeakPolarHBondContact O-CA 3.21Å; T601-R653 PolarHBondContact O-NE 3.19Å; T601-R653 PolarHBondContact OG1-NH2 2.78Å
602	E	97.6	Very high	96.9	Very high	5 Å²	5	17.8 Å²	17.8	2%	0.023	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	171.2	160.4	-179	53.9	-80	0	0	107.8	S591 T593 A645 R653	S591-E602 PolarHBondContact N-O 2.64Å; S591-E602 PolarHBondContact O-N 3.17Å; T593-E602 HydrophobicContact CG2-CB 3.61Å; E602-A645 HydrophobicContact CB-CB 4.13Å; E602-A645 HydrophobicContact CG-CB 3.81Å; E602-R653 WeakPolarHBondContact OE1-CG 3.5Å; E602-R653 PolarHBondContact OE1-N 3.32Å; E602-R653 IonicContact OE1-NH1 3.24Å; E602-R653 WeakPolarHBondContact OE2-CB 3.25Å
603	T	97.7	Very high	97.1	Very high	8 Å²	8	18.8 Å²	18.8	5%	0.049	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.4	-178.8	-44.5	0	0	0	0	110.8	Y588 R605 D652 R653 W680	Y588-T603 HydrophobicContact CD2-CG2 3.28Å; Y588-T603 HydrophobicContact CE2-CG2 3.53Å; Y588-T603 VanDerWaalsContact CE2-OG1 3.25Å; Y588-T603 WeakPolarHBondContact CE2-OG1 3.43Å; Y588-T603 HydrophobicContact CG-CG2 4.16Å; T603-R605 HydrophobicContact CG2-CG 4.24Å; T603-D652 WeakPolarHBondContact CB-OD2 3.22Å; T603-D652 VanDerWaalsContact OG1-CB 3.25Å; T603-D652 WeakPolarHBondContact OG1-CB 3.46Å; T603-R653 PolarHBondContact OG1-NH1 3.16Å; T603-W680 HydrophobicContact CG2-CH2 3.77Å; T603-W680 HydrophobicContact CG2-CZ2 4.36Å; T603-W680 HydrophobicContact CG2-CZ3 4.11Å
604	V	98.3	Very high	97.2	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124	160.7	177.8	0	0	0	0	107.2	E589 S606 M641 Y642 A645	E589-V604 HydrophobicContact CB-CB 4.06Å; E589-V604 HydrophobicContact CG-CB 4.37Å; E589-V604 PolarHBondContact N-O 3.24Å; E589-V604 PolarHBondContact O-N 3.46Å; E589-V604 WeakPolarHBondContact OE2-CB 3.38Å; E589-V604 WeakPolarHBondContact OE2-CG1 3.33Å; V604-S606 PolarHBondContact O-N 3.4Å; V604-M641 HydrophobicContact CG1-CB 4Å; V604-M641 HydrophobicContact CG1-CE 4.13Å; V604-Y642 HydrophobicContact CG2-CD2 3.82Å; V604-Y642 HydrophobicContact CG2-CG 4.34Å; V604-A645 HydrophobicContact CG2-CB 3.63Å
605	R	97.8	Very high	97.3	Very high	14 Å²	14	18.3 Å²	18.3	5%	0.053	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	89	178.7	-65.5	-176.3	177.3	-147.5	-8.7	109.1	S190 T587 T603 C607 M641 D652 W680	S190-R605 WeakPolarHBondContact OG-CD 3.26Å; S190-R605 PolarHBondContact OG-NH1 3.06Å; T587-R605 WeakPolarHBondContact O-CA 3.15Å; T603-R605 HydrophobicContact CG2-CG 4.24Å; R605-C607 PolarHBondContact O-N 2.95Å; R605-M641 WeakPolarHBondContact O-CE 3.36Å; R605-D652 IonicContact CZ-OD1 3.52Å; R605-D652 IonicContact CZ-OD2 3.39Å; R605-D652 IonicContact NE-OD1 3.9Å; R605-D652 PolarHBondContact NE-OD1 2.94Å; R605-D652 IonicContact NE-OD2 2.75Å; R605-D652 PolarHBondContact NE-OD2 2.84Å; R605-D652 IonicContact NH2-OD1 2.87Å; R605-D652 PolarHBondContact NH2-OD1 3.45Å; R605-D652 IonicContact NH2-OD2 3.54Å; R605-W680 HydrophobicContact CG-CH2 4.07Å; R605-W680 HydrophobicContact CG-CZ3 4.18Å
606	S	97.6	Very high	97.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	10%	0.097	C	C	.	.			trans	-64.8	-23.3	-169.2	-46.7	0	0	0	0	114.6	Q570 T587 V604 T608	Q570-S606 PolarHBondContact OE1-OG 3.01Å; T587-S606 PolarHBondContact O-N 2.85Å; V604-S606 PolarHBondContact O-N 3.4Å; S606-T608 PolarHBondContact O-N 2.59Å; S606-T608 VanDerWaalsContact O-N 3.12Å
607	C	98	Very high	97.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.02	10%	0.098	C	C	.	.			trans	-80.9	86.8	176.6	-178.3	0	0	0	0	110.8	C585 R605	C585-C607 VanDerWaalsContact O-CB 3.27Å; C585-C607 WeakPolarHBondContact O-CB 3.3Å; R605-C607 PolarHBondContact O-N 2.95Å
608	T	98.2	Very high	97.5	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.031	9%	0.09	C	C	.	.			trans	-105.7	167.3	174.7	78.8	0	0	0	0	112.1	S606 E610 T611 C612 K637 M641	S606-T608 PolarHBondContact O-N 2.59Å; S606-T608 VanDerWaalsContact O-N 3.12Å; T608-E610 VanDerWaalsContact C-N 3.27Å; T608-E610 WeakPolarHBondContact CB-OE2 2.86Å; T608-E610 PolarHBondContact O-N 3.4Å; T608-E610 PolarHBondContact OG1-N 3.49Å; T608-E610 PolarHBondContact OG1-OE2 3.42Å; T608-T611 PolarHBondContact O-N 2.84Å; T608-T611 PolarHBondContact OG1-N 3.18Å; T608-C612 WeakPolarHBondContact O-CB 3.23Å; T608-C612 PolarHBondContact O-N 3.36Å; T608-C612 PolarHBondContact O-SG 2.9Å; T608-K637 HydrophobicContact CG2-CG 4.12Å; T608-M641 HydrophobicContact CG2-CE 3.21Å; T608-M641 HydrophobicContact CG2-SD 3.51Å; T608-M641 VanDerWaalsContact CG2-SD 3.51Å
609	M	98	Very high	97.3	Very high	58 Å²	58	20.2 Å²	20.2	29%	0.286	10%	0.102	S	C	.	.	H	α-helix	trans	-54.4	-45	171.7	-76.8	-60.1	-56.4	0	0	111.9	R192 P193 T611 C612 D613	R192-M609 HydrophobicContact CB-CG 4.38Å; R192-M609 HydrophobicContact CB-SD 4.41Å; R192-M609 HydrophobicContact CG-CG 4.22Å; R192-M609 HydrophobicContact CG-SD 3.91Å; P193-M609 HydrophobicContact CB-SD 3.81Å; P193-M609 HydrophobicContact CG-SD 4.4Å; M609-T611 PolarHBondContact O-N 3.44Å; M609-C612 WeakPolarHBondContact O-CB 3.47Å; M609-C612 PolarHBondContact O-N 2.85Å; M609-C612 VanDerWaalsContact O-N 3.16Å; M609-D613 WeakPolarHBondContact O-CB 3.48Å; M609-D613 PolarHBondContact O-N 3.42Å
610	E	98.6	Very high	97.1	Very high	49 Å²	49	27.5 Å²	27.5	23%	0.229	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-43.9	-179.5	-57.7	86	162.3	0	0	111.6	T608 F614 V633 A634 K637	T608-E610 VanDerWaalsContact C-N 3.27Å; T608-E610 WeakPolarHBondContact CB-OE2 2.86Å; T608-E610 PolarHBondContact O-N 3.4Å; T608-E610 PolarHBondContact OG1-N 3.49Å; T608-E610 PolarHBondContact OG1-OE2 3.42Å; E610-F614 PolarHBondContact O-N 3.45Å; E610-F614 VanDerWaalsContact O-N 3.15Å; E610-V633 HydrophobicContact CB-CG1 4.16Å; E610-V633 HydrophobicContact CG-CG1 3.88Å; E610-A634 HydrophobicContact CB-CB 4.38Å; E610-K637 HydrophobicContact CB-CB 4.25Å; E610-K637 HydrophobicContact CB-CG 4.46Å; E610-K637 HydrophobicContact CG-CB 4.16Å; E610-K637 HydrophobicContact CG-CG 4.23Å; E610-K637 VanDerWaalsContact OE1-CD 3.29Å; E610-K637 WeakPolarHBondContact OE1-CD 3.41Å; E610-K637 WeakPolarHBondContact OE1-CE 3.46Å; E610-K637 IonicContact OE1-NZ 3.08Å; E610-K637 PolarHBondContact OE1-NZ 2.88Å; E610-K637 VanDerWaalsContact OE1-NZ 3.12Å; E610-K637 WeakPolarHBondContact OE2-CG 3.41Å
611	T	98.3	Very high	96.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-40.1	174.5	-54.9	0	0	0	0	111.7	I571 Q574 T608 M609 D613 F614 V615	I571-T611 HydrophobicContact CG1-CG2 4.15Å; I571-T611 HydrophobicContact CG2-CG2 4.35Å; Q574-T611 HydrophobicContact CB-CG2 3.6Å; Q574-T611 HydrophobicContact CG-CG2 3.58Å; T608-T611 PolarHBondContact O-N 2.84Å; T608-T611 PolarHBondContact OG1-N 3.18Å; M609-T611 PolarHBondContact O-N 3.44Å; T611-D613 VanDerWaalsContact C-N 3.34Å; T611-D613 PolarHBondContact O-N 3.22Å; T611-F614 PolarHBondContact O-N 3.17Å; T611-V615 HydrophobicContact CG2-CG2 4.27Å; T611-V615 WeakPolarHBondContact O-CB 3.44Å; T611-V615 VanDerWaalsContact O-CG2 3.27Å; T611-V615 WeakPolarHBondContact O-CG2 3.37Å; T611-V615 PolarHBondContact O-N 2.74Å
612	C	98.4	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-40.8	177.7	-68.1	0	0	0	0	112.2	P193 F584 T608 M609 V615 R616	P193-C612 HydrophobicContact CB-CB 4.4Å; P193-C612 WeakPolarHBondContact CB-SG 3.41Å; F584-C612 HydrophobicContact CD1-CB 4.46Å; F584-C612 VanDerWaalsContact CD1-SG 3.51Å; F584-C612 HydrophobicContact CD2-CB 4.3Å; F584-C612 HydrophobicContact CE1-CB 3.97Å; F584-C612 VanDerWaalsContact CE1-SG 3.59Å; F584-C612 HydrophobicContact CE2-CB 3.8Å; F584-C612 VanDerWaalsContact CG-SG 3.59Å; F584-C612 HydrophobicContact CZ-CB 3.62Å; T608-C612 WeakPolarHBondContact O-CB 3.23Å; T608-C612 PolarHBondContact O-N 3.36Å; T608-C612 PolarHBondContact O-SG 2.9Å; M609-C612 WeakPolarHBondContact O-CB 3.47Å; M609-C612 PolarHBondContact O-N 2.85Å; M609-C612 VanDerWaalsContact O-N 3.16Å; C612-V615 PolarHBondContact O-N 3.1Å; C612-R616 WeakPolarHBondContact O-CB 3.36Å; C612-R616 VanDerWaalsContact O-CG 3.27Å; C612-R616 WeakPolarHBondContact O-CG 3.46Å; C612-R616 PolarHBondContact O-N 3.04Å
613	D	98.2	Very high	96.3	Very high	65 Å²	65	43.1 Å²	43.1	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-66.6	-42.5	178.4	-67.8	-19.3	0	0	0	110.9	M609 T611 R616 S617 L630	M609-D613 WeakPolarHBondContact O-CB 3.48Å; M609-D613 PolarHBondContact O-N 3.42Å; T611-D613 VanDerWaalsContact C-N 3.34Å; T611-D613 PolarHBondContact O-N 3.22Å; D613-R616 PolarHBondContact O-N 2.87Å; D613-R616 IonicContact OD1-NH1 3.24Å; D613-R616 PolarHBondContact OD1-NH1 2.93Å; D613-S617 WeakPolarHBondContact O-CB 3.4Å; D613-S617 PolarHBondContact O-N 3.29Å; D613-L630 HydrophobicContact CB-CD2 4.37Å
614	F	98.5	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-50.4	170.7	170.5	-106.6	0	0	0	111.9	I571 E610 T611 R616 S617 M618 R627 L630 L631 A634 I759 L762	I571-F614 HydrophobicContact CG2-CD1 3.38Å; I571-F614 HydrophobicContact CG2-CE1 3.43Å; I571-F614 VanDerWaalsContact CG2-CE1 3.43Å; I571-F614 HydrophobicContact CG2-CG 4.49Å; E610-F614 PolarHBondContact O-N 3.45Å; E610-F614 VanDerWaalsContact O-N 3.15Å; T611-F614 PolarHBondContact O-N 3.17Å; F614-R616 PolarHBondContact O-N 3.34Å; F614-S617 WeakPolarHBondContact O-CB 3.48Å; F614-S617 PolarHBondContact O-N 3.12Å; F614-S617 PolarHBondContact O-OG 2.61Å; F614-M618 HydrophobicContact CD2-CG 4.41Å; F614-M618 HydrophobicContact CE1-CG 4.01Å; F614-M618 HydrophobicContact CE2-CG 3.73Å; F614-M618 HydrophobicContact CE2-SD 3.97Å; F614-M618 HydrophobicContact CZ-CG 3.51Å; F614-M618 HydrophobicContact CZ-SD 3.9Å; F614-M618 PolarHBondContact O-N 3.4Å; F614-M618 VanDerWaalsContact O-N 3.11Å; F614-R627 WeakPolarHBondContact CD2-O 3.47Å; F614-R627 WeakPolarHBondContact CE2-O 3.38Å; F614-L630 HydrophobicContact CB-CB 4.02Å; F614-L630 HydrophobicContact CD2-CB 4.18Å; F614-L631 HydrophobicContact CD1-CD1 4.34Å; F614-L631 HydrophobicContact CD2-CB 3.71Å; F614-L631 HydrophobicContact CD2-CD1 4.47Å; F614-L631 HydrophobicContact CE1-CD1 3.99Å; F614-L631 HydrophobicContact CE2-CB 3.61Å; F614-L631 HydrophobicContact CE2-CD1 4.14Å; F614-L631 HydrophobicContact CE2-CG 4.32Å; F614-L631 HydrophobicContact CG-CB 4.41Å; F614-L631 HydrophobicContact CZ-CB 4.23Å; F614-L631 HydrophobicContact CZ-CD1 3.88Å; F614-L631 HydrophobicContact CZ-CG 4.46Å; F614-A634 HydrophobicContact CB-CB 4.32Å; F614-I759 HydrophobicContact CE1-CD1 4.12Å; F614-I759 HydrophobicContact CE1-CG1 4.13Å; F614-I759 HydrophobicContact CZ-CD1 4.44Å; F614-I759 HydrophobicContact CZ-CG1 3.95Å; F614-L762 HydrophobicContact CE2-CD1 3.89Å; F614-L762 HydrophobicContact CZ-CD1 4.11Å
615	V	98.3	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-44.4	-179	167.7	0	0	0	0	111.4	Q574 L575 F578 F584 T611 C612 S617 M618 V619	Q574-V615 HydrophobicContact CB-CG2 4.06Å; L575-V615 HydrophobicContact CB-CG2 4.09Å; L575-V615 HydrophobicContact CD1-CG1 4.01Å; L575-V615 HydrophobicContact CD1-CG2 4.5Å; F578-V615 HydrophobicContact CB-CG1 3.46Å; F578-V615 VanDerWaalsContact CB-CG1 3.46Å; F578-V615 HydrophobicContact CD1-CG1 3.66Å; F578-V615 HydrophobicContact CD2-CG1 4.35Å; F578-V615 HydrophobicContact CG-CG1 3.55Å; F584-V615 HydrophobicContact CE1-CB 3.95Å; F584-V615 HydrophobicContact CE1-CG1 3.77Å; F584-V615 HydrophobicContact CE1-CG2 4.43Å; F584-V615 HydrophobicContact CZ-CB 4.1Å; F584-V615 HydrophobicContact CZ-CG1 3.93Å; T611-V615 HydrophobicContact CG2-CG2 4.27Å; T611-V615 WeakPolarHBondContact O-CB 3.44Å; T611-V615 VanDerWaalsContact O-CG2 3.27Å; T611-V615 WeakPolarHBondContact O-CG2 3.37Å; T611-V615 PolarHBondContact O-N 2.74Å; C612-V615 PolarHBondContact O-N 3.1Å; V615-S617 VanDerWaalsContact C-N 3.3Å; V615-S617 PolarHBondContact O-N 2.78Å; V615-M618 WeakPolarHBondContact O-CB 3.49Å; V615-M618 PolarHBondContact O-N 2.83Å; V615-M618 VanDerWaalsContact O-N 3.16Å; V615-V619 PolarHBondContact O-N 3.47Å
616	R	97.6	Very high	96	Very high	70 Å²	70	54.2 Å²	54.2	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-39	174.6	-72.6	170.8	-175.2	141.7	0.1	111.8	F584 C612 D613 F614 M618 V619 R620	F584-R616 HydrophobicContact CE2-CG 4.37Å; F584-R616 HydrophobicContact CZ-CG 4.26Å; C612-R616 WeakPolarHBondContact O-CB 3.36Å; C612-R616 VanDerWaalsContact O-CG 3.27Å; C612-R616 WeakPolarHBondContact O-CG 3.46Å; C612-R616 PolarHBondContact O-N 3.04Å; D613-R616 PolarHBondContact O-N 2.87Å; D613-R616 IonicContact OD1-NH1 3.24Å; D613-R616 PolarHBondContact OD1-NH1 2.93Å; F614-R616 PolarHBondContact O-N 3.34Å; R616-M618 VanDerWaalsContact C-N 3.25Å; R616-M618 PolarHBondContact O-N 3.47Å; R616-V619 PolarHBondContact O-N 3.23Å; R616-R620 WeakPolarHBondContact O-CB 3.43Å; R616-R620 WeakPolarHBondContact O-CG 3.35Å; R616-R620 PolarHBondContact O-N 3.45Å
617	S	97.5	Very high	96	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-28.4	177.8	80.6	0	0	0	0	113.2	D613 F614 V615 R620 R627	D613-S617 WeakPolarHBondContact O-CB 3.4Å; D613-S617 PolarHBondContact O-N 3.29Å; F614-S617 WeakPolarHBondContact O-CB 3.48Å; F614-S617 PolarHBondContact O-N 3.12Å; F614-S617 PolarHBondContact O-OG 2.61Å; V615-S617 VanDerWaalsContact C-N 3.3Å; V615-S617 PolarHBondContact O-N 2.78Å; S617-R620 VanDerWaalsContact O-O 3.14Å; S617-R627 PolarHBondContact O-NE 3.22Å; S617-R627 PolarHBondContact O-NH2 3.49Å
618	M	96.5	Very high	96	Very high	20 Å²	20	58.2 Å²	58.2	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-74.1	-29	175.5	-71.3	-65.2	-72.2	0	0	112.7	L575 F614 V615 R616 R627 D758 L762	L575-M618 HydrophobicContact CD1-CB 3.78Å; L575-M618 HydrophobicContact CD1-CG 4.38Å; L575-M618 HydrophobicContact CD2-CB 4.29Å; L575-M618 HydrophobicContact CD2-CE 4.08Å; L575-M618 HydrophobicContact CD2-CG 4.19Å; F614-M618 HydrophobicContact CD2-CG 4.41Å; F614-M618 HydrophobicContact CE1-CG 4.01Å; F614-M618 HydrophobicContact CE2-CG 3.73Å; F614-M618 HydrophobicContact CE2-SD 3.97Å; F614-M618 HydrophobicContact CZ-CG 3.51Å; F614-M618 HydrophobicContact CZ-SD 3.9Å; F614-M618 PolarHBondContact O-N 3.4Å; F614-M618 VanDerWaalsContact O-N 3.11Å; V615-M618 WeakPolarHBondContact O-CB 3.49Å; V615-M618 PolarHBondContact O-N 2.83Å; V615-M618 VanDerWaalsContact O-N 3.16Å; R616-M618 VanDerWaalsContact C-N 3.25Å; R616-M618 PolarHBondContact O-N 3.47Å; M618-R627 HydrophobicContact SD-CB 4.35Å; M618-R627 HydrophobicContact SD-CG 4.16Å; M618-D758 HydrophobicContact CE-CB 3.8Å; M618-L762 HydrophobicContact CE-CD1 4.44Å; M618-L762 HydrophobicContact SD-CD1 3.84Å; M618-L762 HydrophobicContact SD-CD2 4.07Å; M618-L762 HydrophobicContact SD-CG 4.34Å
619	V	91.5	Very high	96	Very high	85 Å²	85	64.2 Å²	64.2	52%	0.515	29%	0.294	S	S	.	.	H	α-helix	trans	-90.4	-29	179.4	-179	0	0	0	0	112	F578 V615 R616	F578-V619 HydrophobicContact CD1-CG2 3.96Å; F578-V619 HydrophobicContact CE1-CB 4.48Å; F578-V619 HydrophobicContact CE1-CG2 4.02Å; V615-V619 PolarHBondContact O-N 3.47Å; R616-V619 PolarHBondContact O-N 3.23Å
620	R	91.6	Very high	96	Very high	153 Å²	153	62.5 Å²	62.5	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	163.4	175.4	-68	175.9	-179.7	172.2	-0.8	112	R616 S617 E622 R627	R616-R620 WeakPolarHBondContact O-CB 3.43Å; R616-R620 WeakPolarHBondContact O-CG 3.35Å; R616-R620 PolarHBondContact O-N 3.45Å; S617-R620 VanDerWaalsContact O-O 3.14Å; R620-E622 VanDerWaalsContact C-N 3.32Å; R620-E622 HydrophobicContact CB-CG 4.19Å; R620-E622 PolarHBondContact O-N 2.82Å; R620-R627 PolarHBondContact O-NH2 3.38Å
621	Q	83.6	Confident	96	Very high	199 Å²	199	60.1 Å²	60.1	93%	0.93	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	83.8	170.7	-67.8	-174.7	8.4	0	0	109.9
622	E	92.9	Very high	95.9	Very high	86 Å²	86	65.3 Å²	65.3	40%	0.402	30%	0.298	S	S	.	.			trans	-115.8	157.5	175.6	-66.4	-65.2	171.7	0	0	110.9	R620 R627	R620-E622 VanDerWaalsContact C-N 3.32Å; R620-E622 HydrophobicContact CB-CG 4.19Å; R620-E622 PolarHBondContact O-N 2.82Å; E622-R627 HydrophobicContact CB-CG 4.35Å
623	T	95.3	Very high	95.9	Very high	82 Å²	82	68.2 Å²	68.2	50%	0.503	32%	0.315	S	S	.	.			trans	-69.1	154.1	176.7	67.1	0	0	0	0	111.2	E625 E626 R627	T623-E625 VanDerWaalsContact C-N 3.27Å; T623-E625 PolarHBondContact O-N 3.16Å; T623-E626 PolarHBondContact O-N 3.15Å; T623-E626 WeakPolarHBondContact OG1-CB 3.43Å; T623-E626 PolarHBondContact OG1-N 3.49Å; T623-R627 WeakPolarHBondContact O-CG 3.3Å; T623-R627 PolarHBondContact O-N 2.96Å; T623-R627 VanDerWaalsContact O-N 3.11Å
624	R	95.6	Very high	95.9	Very high	96 Å²	96	65.1 Å²	65.1	36%	0.362	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-40.6	176.5	179.7	-167.2	64.6	-162.6	3.1	111.4	E626 R627 L628 L762	R624-E626 VanDerWaalsContact C-N 3.3Å; R624-E626 PolarHBondContact O-N 2.85Å; R624-R627 PolarHBondContact O-N 3.33Å; R624-L628 HydrophobicContact CG-CD1 4.3Å; R624-L628 WeakPolarHBondContact O-CB 3.31Å; R624-L628 PolarHBondContact O-N 3.48Å; R624-L762 HydrophobicContact CG-CD2 4.44Å
625	E	96	Very high	95.9	Very high	108 Å²	108	65.4 Å²	65.4	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-43.6	-179.9	-69	63.9	-140.1	0	0	110.9	T623 L628 R629	T623-E625 VanDerWaalsContact C-N 3.27Å; T623-E625 PolarHBondContact O-N 3.16Å; E625-L628 PolarHBondContact O-N 3.1Å; E625-R629 WeakPolarHBondContact O-CB 3.45Å; E625-R629 PolarHBondContact O-N 3.44Å
626	E	96.9	Very high	95.8	Very high	53 Å²	53	71.7 Å²	71.7	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-69	-43.2	178.7	-178.7	57.8	-170.1	0	0	111.8	T623 R624 L628 R629 L630	T623-E626 PolarHBondContact O-N 3.15Å; T623-E626 WeakPolarHBondContact OG1-CB 3.43Å; T623-E626 PolarHBondContact OG1-N 3.49Å; R624-E626 VanDerWaalsContact C-N 3.3Å; R624-E626 PolarHBondContact O-N 2.85Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.8Å; E626-R629 WeakPolarHBondContact O-CB 3.32Å; E626-R629 PolarHBondContact O-N 3.49Å; E626-R629 VanDerWaalsContact O-N 3.14Å; E626-R629 IonicContact OE1-CZ 3.47Å; E626-R629 IonicContact OE1-NE 3.48Å; E626-R629 PolarHBondContact OE1-NE 3.26Å; E626-R629 IonicContact OE1-NH2 2.66Å; E626-R629 PolarHBondContact OE1-NH2 3.13Å; E626-R629 IonicContact OE2-CZ 3.55Å; E626-R629 IonicContact OE2-NE 2.77Å; E626-R629 PolarHBondContact OE2-NE 3Å; E626-R629 IonicContact OE2-NH2 3.49Å; E626-R629 PolarHBondContact OE2-NH2 2.85Å; E626-L630 HydrophobicContact CG-CD1 4.11Å; E626-L630 WeakPolarHBondContact O-CG 3.25Å; E626-L630 PolarHBondContact O-N 2.97Å
627	R	97.6	Very high	95.8	Very high	56 Å²	56	70.5 Å²	70.5	21%	0.211	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-45	173.9	-70.4	168.4	174.1	177.2	-0.3	111.9	F614 S617 M618 R620 E622 T623 R624 L630 L631 L762	F614-R627 WeakPolarHBondContact CD2-O 3.47Å; F614-R627 WeakPolarHBondContact CE2-O 3.38Å; S617-R627 PolarHBondContact O-NE 3.22Å; S617-R627 PolarHBondContact O-NH2 3.49Å; M618-R627 HydrophobicContact SD-CB 4.35Å; M618-R627 HydrophobicContact SD-CG 4.16Å; R620-R627 PolarHBondContact O-NH2 3.38Å; E622-R627 HydrophobicContact CB-CG 4.35Å; T623-R627 WeakPolarHBondContact O-CG 3.3Å; T623-R627 PolarHBondContact O-N 2.96Å; T623-R627 VanDerWaalsContact O-N 3.11Å; R624-R627 PolarHBondContact O-N 3.33Å; R627-L630 PolarHBondContact O-N 2.66Å; R627-L631 WeakPolarHBondContact O-CB 3.32Å; R627-L631 PolarHBondContact O-N 3.11Å; R627-L762 HydrophobicContact CB-CD1 4.09Å; R627-L762 HydrophobicContact CB-CD2 3.96Å
628	L	97	Very high	95.8	Very high	32 Å²	32	70.3 Å²	70.3	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-38.9	176.1	-81.6	174.1	0	0	0	112.5	R624 E625 E626 K632 L762 F763	R624-L628 HydrophobicContact CG-CD1 4.3Å; R624-L628 WeakPolarHBondContact O-CB 3.31Å; R624-L628 PolarHBondContact O-N 3.48Å; E625-L628 PolarHBondContact O-N 3.1Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.8Å; L628-K632 WeakPolarHBondContact O-CG 3.48Å; L628-K632 PolarHBondContact O-N 2.83Å; L628-L762 WeakPolarHBondContact CD1-O 3.38Å; L628-L762 HydrophobicContact CD2-CB 3.63Å; L628-L762 HydrophobicContact CG-CB 4.01Å; L628-F763 HydrophobicContact CD2-CD1 3.86Å; L628-F763 HydrophobicContact CD2-CD2 4.23Å; L628-F763 HydrophobicContact CD2-CE1 3.77Å; L628-F763 HydrophobicContact CD2-CE2 4.15Å; L628-F763 HydrophobicContact CD2-CG 4.09Å; L628-F763 HydrophobicContact CD2-CZ 3.93Å
629	R	97.6	Very high	95.7	Very high	130 Å²	130	71.6 Å²	71.6	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-50.6	176.3	-170.9	-170.5	71.8	81.1	0	110.3	E625 E626 L631 K632 V633	E625-R629 WeakPolarHBondContact O-CB 3.45Å; E625-R629 PolarHBondContact O-N 3.44Å; E626-R629 WeakPolarHBondContact O-CB 3.32Å; E626-R629 PolarHBondContact O-N 3.49Å; E626-R629 VanDerWaalsContact O-N 3.14Å; E626-R629 IonicContact OE1-CZ 3.47Å; E626-R629 IonicContact OE1-NE 3.48Å; E626-R629 PolarHBondContact OE1-NE 3.26Å; E626-R629 IonicContact OE1-NH2 2.66Å; E626-R629 PolarHBondContact OE1-NH2 3.13Å; E626-R629 IonicContact OE2-CZ 3.55Å; E626-R629 IonicContact OE2-NE 2.77Å; E626-R629 PolarHBondContact OE2-NE 3Å; E626-R629 IonicContact OE2-NH2 3.49Å; E626-R629 PolarHBondContact OE2-NH2 2.85Å; R629-L631 PolarHBondContact O-N 2.73Å; R629-K632 PolarHBondContact O-N 3.32Å; R629-V633 WeakPolarHBondContact O-CG2 3.47Å; R629-V633 PolarHBondContact O-N 2.9Å
630	L	98.4	Very high	95.9	Very high	22 Å²	22	70.8 Å²	70.8	12%	0.115	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-40.2	179.3	-68.6	171.9	0	0	0	112.1	D613 F614 E626 R627 K632 V633 A634	D613-L630 HydrophobicContact CB-CD2 4.37Å; F614-L630 HydrophobicContact CB-CB 4.02Å; F614-L630 HydrophobicContact CD2-CB 4.18Å; E626-L630 HydrophobicContact CG-CD1 4.11Å; E626-L630 WeakPolarHBondContact O-CG 3.25Å; E626-L630 PolarHBondContact O-N 2.97Å; R627-L630 PolarHBondContact O-N 2.66Å; L630-K632 VanDerWaalsContact C-N 3.33Å; L630-K632 PolarHBondContact O-N 2.91Å; L630-V633 PolarHBondContact O-N 2.91Å; L630-A634 WeakPolarHBondContact O-CB 3.35Å; L630-A634 PolarHBondContact O-N 3.27Å
631	L	98.3	Very high	96.1	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-45.1	174.9	177.4	60.7	0	0	0	112.1	I571 F614 R627 R629 A634 A635 I759 L762 F763	I571-L631 HydrophobicContact CD1-CD1 4.14Å; I571-L631 HydrophobicContact CG2-CD1 3.97Å; F614-L631 HydrophobicContact CD1-CD1 4.34Å; F614-L631 HydrophobicContact CD2-CB 3.71Å; F614-L631 HydrophobicContact CD2-CD1 4.47Å; F614-L631 HydrophobicContact CE1-CD1 3.99Å; F614-L631 HydrophobicContact CE2-CB 3.61Å; F614-L631 HydrophobicContact CE2-CD1 4.14Å; F614-L631 HydrophobicContact CE2-CG 4.32Å; F614-L631 HydrophobicContact CG-CB 4.41Å; F614-L631 HydrophobicContact CZ-CB 4.23Å; F614-L631 HydrophobicContact CZ-CD1 3.88Å; F614-L631 HydrophobicContact CZ-CG 4.46Å; R627-L631 WeakPolarHBondContact O-CB 3.32Å; R627-L631 PolarHBondContact O-N 3.11Å; R629-L631 PolarHBondContact O-N 2.73Å; L631-A634 PolarHBondContact O-N 3.36Å; L631-A635 WeakPolarHBondContact O-CB 3.26Å; L631-A635 PolarHBondContact O-N 3.42Å; L631-I759 HydrophobicContact CD1-CG2 4Å; L631-I759 HydrophobicContact CD2-CG2 3.67Å; L631-L762 HydrophobicContact CD2-CD1 4.27Å; L631-F763 HydrophobicContact CD2-CE2 3.47Å; L631-F763 VanDerWaalsContact CD2-CE2 3.47Å; L631-F763 HydrophobicContact CD2-CZ 3.51Å
632	K	97	Very high	96.7	Very high	110 Å²	110	57.8 Å²	57.8	48%	0.478	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-42.9	178.9	-73.6	175.4	-178.9	173.8	0	111.6	L628 R629 L630 A635 E636	L628-K632 WeakPolarHBondContact O-CG 3.48Å; L628-K632 PolarHBondContact O-N 2.83Å; R629-K632 PolarHBondContact O-N 3.32Å; L630-K632 VanDerWaalsContact C-N 3.33Å; L630-K632 PolarHBondContact O-N 2.91Å; K632-A635 PolarHBondContact O-N 3.24Å; K632-E636 WeakPolarHBondContact O-CB 3.21Å; K632-E636 WeakPolarHBondContact O-CG 3.27Å; K632-E636 PolarHBondContact O-N 3.47Å
633	V	98.2	Very high	96.7	Very high	60 Å²	60	56.8 Å²	56.8	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-45.9	177	176.7	0	0	0	0	110.8	E610 R629 L630 A635 E636 K637	E610-V633 HydrophobicContact CB-CG1 4.16Å; E610-V633 HydrophobicContact CG-CG1 3.88Å; R629-V633 WeakPolarHBondContact O-CG2 3.47Å; R629-V633 PolarHBondContact O-N 2.9Å; L630-V633 PolarHBondContact O-N 2.91Å; V633-A635 PolarHBondContact O-N 3.31Å; V633-E636 PolarHBondContact O-N 3.24Å; V633-K637 WeakPolarHBondContact O-CB 3.06Å; V633-K637 PolarHBondContact O-N 3.24Å
634	A	98.4	Very high	96.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-45	176	0	0	0	0	0	111.9	I571 E610 F614 L630 L631 K637 H638	I571-A634 HydrophobicContact CD1-CB 3.76Å; I571-A634 HydrophobicContact CG1-CB 4.36Å; E610-A634 HydrophobicContact CB-CB 4.38Å; F614-A634 HydrophobicContact CB-CB 4.32Å; L630-A634 WeakPolarHBondContact O-CB 3.35Å; L630-A634 PolarHBondContact O-N 3.27Å; L631-A634 PolarHBondContact O-N 3.36Å; A634-K637 WeakPolarHBondContact O-CB 3.46Å; A634-K637 PolarHBondContact O-N 3Å; A634-H638 PolarHBondContact O-N 2.8Å
635	A	97.7	Very high	96.8	Very high	6 Å²	6	50.1 Å²	50.1	5%	0.05	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-40.9	179.6	0	0	0	0	0	112.7	T563 A567 I571 L631 K632 V633 H638 Q639	T563-A635 HydrophobicContact CG2-CB 3.77Å; A567-A635 HydrophobicContact CB-CB 4.28Å; I571-A635 HydrophobicContact CD1-CB 3.95Å; L631-A635 WeakPolarHBondContact O-CB 3.26Å; L631-A635 PolarHBondContact O-N 3.42Å; K632-A635 PolarHBondContact O-N 3.24Å; V633-A635 PolarHBondContact O-N 3.31Å; A635-H638 PolarHBondContact O-N 3.16Å; A635-Q639 WeakPolarHBondContact O-CG 3.3Å; A635-Q639 PolarHBondContact O-N 2.74Å
636	E	95.9	Very high	96.8	Very high	132 Å²	132	45.8 Å²	45.8	62%	0.617	21%	0.21	S	C	*	.	H	α-helix	trans	-64.7	-41.3	175.3	-75.1	178.6	-178.5	0	0	111.6	K632 V633 N640	K632-E636 WeakPolarHBondContact O-CB 3.21Å; K632-E636 WeakPolarHBondContact O-CG 3.27Å; K632-E636 PolarHBondContact O-N 3.47Å; V633-E636 PolarHBondContact O-N 3.24Å; E636-N640 WeakPolarHBondContact O-CB 3.34Å; E636-N640 PolarHBondContact O-N 3.46Å
637	K	97.4	Very high	96.7	Very high	45 Å²	45	43.9 Å²	43.9	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-50.1	173.7	178.8	69.4	169.1	-149.9	0	111.4	E189 T608 E610 V633 A634 Q639 N640 M641	E189-K637 IonicContact OE2-NZ 2.76Å; T608-K637 HydrophobicContact CG2-CG 4.12Å; E610-K637 HydrophobicContact CB-CB 4.25Å; E610-K637 HydrophobicContact CB-CG 4.46Å; E610-K637 HydrophobicContact CG-CB 4.16Å; E610-K637 HydrophobicContact CG-CG 4.23Å; E610-K637 VanDerWaalsContact OE1-CD 3.29Å; E610-K637 WeakPolarHBondContact OE1-CD 3.41Å; E610-K637 WeakPolarHBondContact OE1-CE 3.46Å; E610-K637 IonicContact OE1-NZ 3.08Å; E610-K637 PolarHBondContact OE1-NZ 2.88Å; E610-K637 VanDerWaalsContact OE1-NZ 3.12Å; E610-K637 WeakPolarHBondContact OE2-CG 3.41Å; V633-K637 WeakPolarHBondContact O-CB 3.06Å; V633-K637 PolarHBondContact O-N 3.24Å; A634-K637 WeakPolarHBondContact O-CB 3.46Å; A634-K637 PolarHBondContact O-N 3Å; K637-Q639 PolarHBondContact O-N 2.76Å; K637-N640 WeakPolarHBondContact O-CB 3.49Å; K637-N640 PolarHBondContact O-N 3.11Å; K637-N640 VanDerWaalsContact O-N 3.15Å; K637-M641 HydrophobicContact CG-CE 4.49Å; K637-M641 WeakPolarHBondContact O-CG 3.37Å; K637-M641 PolarHBondContact O-N 2.72Å
638	H	97.8	Very high	96.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-49.8	179	-169.9	80.8	0	0	0	111.6	D566 A567 E589 A634 A635 N640 M641 Y642	D566-H638 IonicContact OD2-NE2 2.84Å; A567-H638 HydrophobicContact CB-CB 3.99Å; E589-H638 IonicContact OE1-NE2 3.51Å; E589-H638 IonicContact OE2-CE1 3.19Å; E589-H638 PolarHBondContact OE2-CE1 3.36Å; E589-H638 IonicContact OE2-NE2 3.78Å; E589-H638 PolarHBondContact OE2-NE2 2.68Å; A634-H638 PolarHBondContact O-N 2.8Å; A635-H638 PolarHBondContact O-N 3.16Å; H638-N640 VanDerWaalsContact C-N 3.29Å; H638-N640 PolarHBondContact O-N 2.99Å; H638-M641 PolarHBondContact O-N 3.22Å; H638-M641 VanDerWaalsContact O-N 3.17Å; H638-Y642 PolarHBondContact O-N 3Å
639	Q	95.3	Very high	96.5	Very high	46 Å²	46	43.8 Å²	43.8	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-40.1	176.1	-77.1	-166.1	-32.3	0	0	112.7	S564 A567 A635 K637 Y642 R643	S564-Q639 PolarHBondContact OG-NE2 3.48Å; A567-Q639 HydrophobicContact CB-CG 4.37Å; A635-Q639 WeakPolarHBondContact O-CG 3.3Å; A635-Q639 PolarHBondContact O-N 2.74Å; K637-Q639 PolarHBondContact O-N 2.76Å; Q639-Y642 PolarHBondContact O-N 3.33Å; Q639-R643 WeakPolarHBondContact O-CG 3.23Å; Q639-R643 PolarHBondContact O-N 3.01Å
640	N	95.3	Very high	96.4	Very high	69 Å²	69	38 Å²	38	37%	0.369	18%	0.184	S	C	.	.	H	α-helix	trans	-63.2	-45.4	176.8	-175.2	55.2	0	0	0	111.6	E636 K637 H638 Y642 R643 L644	E636-N640 WeakPolarHBondContact O-CB 3.34Å; E636-N640 PolarHBondContact O-N 3.46Å; K637-N640 WeakPolarHBondContact O-CB 3.49Å; K637-N640 PolarHBondContact O-N 3.11Å; K637-N640 VanDerWaalsContact O-N 3.15Å; H638-N640 VanDerWaalsContact C-N 3.29Å; H638-N640 PolarHBondContact O-N 2.99Å; N640-Y642 VanDerWaalsContact C-N 3.32Å; N640-Y642 PolarHBondContact O-N 2.97Å; N640-R643 PolarHBondContact O-N 2.74Å; N640-L644 WeakPolarHBondContact O-CG 3.39Å; N640-L644 PolarHBondContact O-N 2.95Å
641	M	96.4	Very high	96.3	Very high	31 Å²	31	37.6 Å²	37.6	15%	0.153	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-40.7	175.8	-66.1	-169.8	-58	0	0	112.1	V604 R605 T608 K637 H638 R643 L644 A645	V604-M641 HydrophobicContact CG1-CB 4Å; V604-M641 HydrophobicContact CG1-CE 4.13Å; R605-M641 WeakPolarHBondContact O-CE 3.36Å; T608-M641 HydrophobicContact CG2-CE 3.21Å; T608-M641 HydrophobicContact CG2-SD 3.51Å; T608-M641 VanDerWaalsContact CG2-SD 3.51Å; K637-M641 HydrophobicContact CG-CE 4.49Å; K637-M641 WeakPolarHBondContact O-CG 3.37Å; K637-M641 PolarHBondContact O-N 2.72Å; H638-M641 PolarHBondContact O-N 3.22Å; H638-M641 VanDerWaalsContact O-N 3.17Å; M641-R643 PolarHBondContact O-N 2.96Å; M641-L644 WeakPolarHBondContact O-CB 3.5Å; M641-L644 PolarHBondContact O-N 3.34Å; M641-A645 WeakPolarHBondContact O-CB 3.2Å; M641-A645 PolarHBondContact O-N 2.71Å
642	Y	94.9	Very high	96.3	Very high	47 Å²	47	38.2 Å²	38.2	18%	0.184	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-42.3	176.3	-159.7	-85.3	0	0	0	111.9	V604 H638 Q639 N640 A645 M646	V604-Y642 HydrophobicContact CG2-CD2 3.82Å; V604-Y642 HydrophobicContact CG2-CG 4.34Å; H638-Y642 PolarHBondContact O-N 3Å; Q639-Y642 PolarHBondContact O-N 3.33Å; N640-Y642 VanDerWaalsContact C-N 3.32Å; N640-Y642 PolarHBondContact O-N 2.97Å; Y642-A645 PolarHBondContact O-N 2.72Å; Y642-M646 HydrophobicContact CD1-CG 3.86Å; Y642-M646 HydrophobicContact CD1-SD 3.66Å; Y642-M646 HydrophobicContact CE1-CG 3.72Å; Y642-M646 HydrophobicContact CE1-SD 3.37Å; Y642-M646 WeakPolarHBondContact CE1-SD 3.29Å; Y642-M646 WeakPolarHBondContact O-CB 3.42Å; Y642-M646 WeakPolarHBondContact O-CG 3.36Å; Y642-M646 PolarHBondContact O-N 3.42Å
643	R	94.9	Very high	96.3	Very high	65 Å²	65	33.2 Å²	33.2	25%	0.245	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-44.4	172.5	-67.8	177.7	-161.7	111	10.2	111.8	M137 Q639 N640 M641 M646 T647	M137-R643 HydrophobicContact CB-CG 4.28Å; M137-R643 VanDerWaalsContact O-CD 3.32Å; M137-R643 WeakPolarHBondContact O-CD 3.3Å; M137-R643 PolarHBondContact O-NE 2.93Å; Q639-R643 WeakPolarHBondContact O-CG 3.23Å; Q639-R643 PolarHBondContact O-N 3.01Å; N640-R643 PolarHBondContact O-N 2.74Å; M641-R643 PolarHBondContact O-N 2.96Å; R643-M646 PolarHBondContact O-N 3.38Å; R643-T647 WeakPolarHBondContact O-CB 3.45Å; R643-T647 VanDerWaalsContact O-CG2 3.32Å; R643-T647 WeakPolarHBondContact O-CG2 3.22Å; R643-T647 PolarHBondContact O-N 3.08Å; R643-T647 PolarHBondContact O-OG1 2.93Å
644	L	95.4	Very high	96.3	Very high	37 Å²	37	30.4 Å²	30.4	19%	0.194	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-44.6	177.6	-68.4	173.3	0	0	0	111.1	N640 M641 T647 G648 Q649 G650	N640-L644 WeakPolarHBondContact O-CG 3.39Å; N640-L644 PolarHBondContact O-N 2.95Å; M641-L644 WeakPolarHBondContact O-CB 3.5Å; M641-L644 PolarHBondContact O-N 3.34Å; L644-T647 WeakPolarHBondContact CA-OG1 3.27Å; L644-T647 PolarHBondContact O-N 2.84Å; L644-T647 PolarHBondContact O-OG1 3.45Å; L644-G648 PolarHBondContact O-N 3.36Å; L644-Q649 HydrophobicContact CB-CB 4.25Å; L644-Q649 HydrophobicContact CD2-CB 4.13Å; L644-Q649 VanDerWaalsContact CD2-OE1 3.27Å; L644-Q649 CarbonylContact O-C 3.57Å; L644-Q649 WeakPolarHBondContact O-CA 3.39Å; L644-Q649 WeakPolarHBondContact O-CB 3.49Å; L644-Q649 PolarHBondContact O-N 3.25Å; L644-G650 PolarHBondContact O-N 2.71Å
645	A	96.4	Very high	96.3	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-50.6	176.7	0	0	0	0	0	111.9	E602 V604 M641 Y642 T647 G648	E602-A645 HydrophobicContact CB-CB 4.13Å; E602-A645 HydrophobicContact CG-CB 3.81Å; V604-A645 HydrophobicContact CG2-CB 3.63Å; M641-A645 WeakPolarHBondContact O-CB 3.2Å; M641-A645 PolarHBondContact O-N 2.71Å; Y642-A645 PolarHBondContact O-N 2.72Å; A645-T647 PolarHBondContact O-N 3.49Å; A645-G648 PolarHBondContact O-N 3.47Å
646	M	95.1	Very high	96.2	Very high	17 Å²	17	30.9 Å²	30.9	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-31	178.1	-75.2	-170.7	74.1	0	0	113.4	L297 S591 M592 L595 F596 Y642 R643 G648	L297-M646 HydrophobicContact CD1-CE 4.02Å; S591-M646 WeakPolarHBondContact OG-CG 3.43Å; M592-M646 HydrophobicContact CE-CE 3.84Å; M592-M646 HydrophobicContact CG-CE 4.48Å; L595-M646 HydrophobicContact CD1-CE 4.47Å; F596-M646 WeakPolarHBondContact CE2-O 3.33Å; Y642-M646 HydrophobicContact CD1-CG 3.86Å; Y642-M646 HydrophobicContact CD1-SD 3.66Å; Y642-M646 HydrophobicContact CE1-CG 3.72Å; Y642-M646 HydrophobicContact CE1-SD 3.37Å; Y642-M646 WeakPolarHBondContact CE1-SD 3.29Å; Y642-M646 WeakPolarHBondContact O-CB 3.42Å; Y642-M646 WeakPolarHBondContact O-CG 3.36Å; Y642-M646 PolarHBondContact O-N 3.42Å; R643-M646 PolarHBondContact O-N 3.38Å; M646-G648 VanDerWaalsContact C-N 3.31Å
647	T	95.3	Very high	96.3	Very high	13 Å²	13	24.6 Å²	24.6	8%	0.08	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	8.9	178.6	53.1	0	0	0	0	114	H134 M137 P176 F596 R643 L644 A645 Q649	H134-T647 HydrophobicContact CB-CG2 3.61Å; M137-T647 HydrophobicContact CE-CG2 3.06Å; M137-T647 HydrophobicContact SD-CG2 4.27Å; P176-T647 VanDerWaalsContact CG-O 3.29Å; P176-T647 WeakPolarHBondContact CG-O 3.28Å; F596-T647 VanDerWaalsContact CE2-C 3.46Å; F596-T647 VanDerWaalsContact CZ-O 3.29Å; F596-T647 WeakPolarHBondContact CZ-O 3.38Å; R643-T647 WeakPolarHBondContact O-CB 3.45Å; R643-T647 VanDerWaalsContact O-CG2 3.32Å; R643-T647 WeakPolarHBondContact O-CG2 3.22Å; R643-T647 PolarHBondContact O-N 3.08Å; R643-T647 PolarHBondContact O-OG1 2.93Å; L644-T647 WeakPolarHBondContact CA-OG1 3.27Å; L644-T647 PolarHBondContact O-N 2.84Å; L644-T647 PolarHBondContact O-OG1 3.45Å; A645-T647 PolarHBondContact O-N 3.49Å; T647-Q649 VanDerWaalsContact C-N 3.3Å; T647-Q649 PolarHBondContact O-N 3.31Å
648	G	95.3	Very high	96.3	Very high	3 Å²	3	22.5 Å²	22.5	3%	0.031	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	22.7	178.5	0	0	0	0	0	113.7	L644 A645 M646	L644-G648 PolarHBondContact O-N 3.36Å; A645-G648 PolarHBondContact O-N 3.47Å; M646-G648 VanDerWaalsContact C-N 3.31Å
649	Q	95.3	Very high	96.2	Very high	82 Å²	82	26.2 Å²	26.2	38%	0.383	12%	0.123	S	C	.	.			trans	-106	18.1	173.2	-49.3	-172.4	22.6	0	0	112.8	R186 L644 T647	R186-Q649 PolarHBondContact NH1-O 2.83Å; L644-Q649 HydrophobicContact CB-CB 4.25Å; L644-Q649 HydrophobicContact CD2-CB 4.13Å; L644-Q649 VanDerWaalsContact CD2-OE1 3.27Å; L644-Q649 CarbonylContact O-C 3.57Å; L644-Q649 WeakPolarHBondContact O-CA 3.39Å; L644-Q649 WeakPolarHBondContact O-CB 3.49Å; L644-Q649 PolarHBondContact O-N 3.25Å; T647-Q649 VanDerWaalsContact C-N 3.3Å; T647-Q649 PolarHBondContact O-N 3.31Å
650	G	95.4	Very high	96.2	Very high	8 Å²	8	24.3 Å²	24.3	8%	0.082	12%	0.115	C	C	.	.			trans	-67.7	172.9	166.2	0	0	0	0	0	111.6	L644	L644-G650 PolarHBondContact O-N 2.71Å
651	I	96.6	Very high	96.1	Very high	15 Å²	15	21.3 Å²	21.3	8%	0.077	10%	0.099	C	C	.	.	S	Bend	trans	-108.2	-32.5	-174.1	60.6	176.1	0	0	0	112.9	T183 R186 Y187 H654 L655	T183-I651 HydrophobicContact CG2-CB 3.98Å; T183-I651 HydrophobicContact CG2-CG2 4.12Å; R186-I651 HydrophobicContact CB-CG2 3.69Å; Y187-I651 HydrophobicContact CD2-CD1 4.47Å; I651-H654 PolarHBondContact O-N 2.8Å; I651-L655 HydrophobicContact CB-CD1 4.17Å; I651-L655 HydrophobicContact CD1-CD1 4.5Å; I651-L655 HydrophobicContact CG1-CD1 4.34Å; I651-L655 WeakPolarHBondContact O-CB 3.44Å; I651-L655 VanDerWaalsContact O-CG 3.3Å; I651-L655 WeakPolarHBondContact O-CG 3.15Å; I651-L655 PolarHBondContact O-N 2.84Å
652	D	97.6	Very high	96	Very high	12 Å²	12	19.9 Å²	19.9	6%	0.064	9%	0.092	C	C	.	.	H	α-helix	trans	-69.4	-43.7	-166.8	-72.4	-88.1	0	0	0	112.7	T603 R605 H654 L655 F656 W680	T603-D652 WeakPolarHBondContact CB-OD2 3.22Å; T603-D652 VanDerWaalsContact OG1-CB 3.25Å; T603-D652 WeakPolarHBondContact OG1-CB 3.46Å; R605-D652 IonicContact CZ-OD1 3.52Å; R605-D652 IonicContact CZ-OD2 3.39Å; R605-D652 IonicContact NE-OD1 3.9Å; R605-D652 PolarHBondContact NE-OD1 2.94Å; R605-D652 IonicContact NE-OD2 2.75Å; R605-D652 PolarHBondContact NE-OD2 2.84Å; R605-D652 IonicContact NH2-OD1 2.87Å; R605-D652 PolarHBondContact NH2-OD1 3.45Å; R605-D652 IonicContact NH2-OD2 3.54Å; D652-H654 VanDerWaalsContact C-N 3.29Å; D652-H654 PolarHBondContact O-N 3.3Å; D652-L655 PolarHBondContact O-N 3.38Å; D652-F656 VanDerWaalsContact O-CB 3.3Å; D652-F656 WeakPolarHBondContact O-CB 3.3Å; D652-F656 PolarHBondContact O-N 3.39Å; D652-W680 WeakPolarHBondContact OD1-CH2 3.27Å; D652-W680 WeakPolarHBondContact OD1-CZ2 3.2Å
653	R	97.4	Very high	95.9	Very high	6 Å²	6	22.6 Å²	22.6	2%	0.023	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-35	174.9	-61.9	-59.7	175.2	-85.8	2	112.1	V233 W237 Y588 T601 E602 T603 C657	V233-R653 HydrophobicContact CG1-CB 3.94Å; V233-R653 HydrophobicContact CG1-CG 4.05Å; V233-R653 HydrophobicContact CG2-CB 4.17Å; W237-R653 VanDerWaalsContact CE3-CD 3.49Å; W237-R653 VanDerWaalsContact CZ2-NH2 3.32Å; Y588-R653 PolarHBondContact OH-NH2 2.9Å; T601-R653 PolarHBondContact O-NE 3.19Å; T601-R653 PolarHBondContact OG1-NH2 2.78Å; E602-R653 WeakPolarHBondContact OE1-CG 3.5Å; E602-R653 PolarHBondContact OE1-N 3.32Å; E602-R653 IonicContact OE1-NH1 3.24Å; E602-R653 WeakPolarHBondContact OE2-CB 3.25Å; T603-R653 PolarHBondContact OG1-NH1 3.16Å; R653-C657 WeakPolarHBondContact O-CB 3.27Å; R653-C657 PolarHBondContact O-N 2.85Å; R653-C657 PolarHBondContact O-SG 3.35Å
654	H	98.2	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.5	-46.8	177.6	-174.8	-153.9	0	0	0	111.9	P178 T183 Q219 I651 D652 F656 C657 L658	P178-H654 HydrophobicContact CG-CB 4.29Å; P178-H654 PolarHBondContact O-CE1 3.49Å; T183-H654 HydrophobicContact CG2-CB 4.46Å; T183-H654 PolarHBondContact OG1-CE1 3.41Å; T183-H654 PolarHBondContact OG1-ND1 2.99Å; Q219-H654 PolarHBondContact OE1-NE2 3.25Å; I651-H654 PolarHBondContact O-N 2.8Å; D652-H654 VanDerWaalsContact C-N 3.29Å; D652-H654 PolarHBondContact O-N 3.3Å; H654-F656 VanDerWaalsContact C-N 3.33Å; H654-F656 PolarHBondContact O-N 3.33Å; H654-C657 PolarHBondContact O-N 2.9Å; H654-L658 WeakPolarHBondContact O-CG 3.14Å; H654-L658 PolarHBondContact O-N 3.5Å
655	L	98.1	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-44	174.1	-72.9	162.6	0	0	0	111.8	T183 Y187 I651 D652 L658 Y659 F671 L672 V675	T183-L655 HydrophobicContact CG2-CD1 4.27Å; T183-L655 HydrophobicContact CG2-CD2 3.88Å; T183-L655 HydrophobicContact CG2-CG 3.69Å; Y187-L655 HydrophobicContact CD2-CD1 4.21Å; I651-L655 HydrophobicContact CB-CD1 4.17Å; I651-L655 HydrophobicContact CD1-CD1 4.5Å; I651-L655 HydrophobicContact CG1-CD1 4.34Å; I651-L655 WeakPolarHBondContact O-CB 3.44Å; I651-L655 VanDerWaalsContact O-CG 3.3Å; I651-L655 WeakPolarHBondContact O-CG 3.15Å; I651-L655 PolarHBondContact O-N 2.84Å; D652-L655 PolarHBondContact O-N 3.38Å; L655-L658 PolarHBondContact O-N 2.86Å; L655-Y659 WeakPolarHBondContact O-CB 3.37Å; L655-Y659 PolarHBondContact O-N 3.29Å; L655-F671 HydrophobicContact CD2-CE1 3.86Å; L655-F671 HydrophobicContact CD2-CZ 4.28Å; L655-L672 HydrophobicContact CD2-CD2 4.11Å; L655-V675 HydrophobicContact CB-CG1 4.47Å; L655-V675 HydrophobicContact CD1-CG1 3.6Å; L655-V675 HydrophobicContact CD2-CG1 4.11Å; L655-V675 HydrophobicContact CG-CG1 4.26Å
656	F	97.1	Very high	95.2	Very high	16 Å²	16	29.9 Å²	29.9	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-49.8	173.3	163.2	-102.3	0	0	0	112	W236 W237 Y240 I241 D652 H654 L658 Y659 V660	W236-F656 HydrophobicContact CB-CE1 3.97Å; W236-F656 HydrophobicContact CB-CZ 4.2Å; W237-F656 HydrophobicContact CE3-CD1 4.03Å; W237-F656 HydrophobicContact CE3-CE1 4.09Å; W237-F656 HydrophobicContact CE3-CG 4.38Å; W237-F656 HydrophobicContact CE3-CZ 4.48Å; W237-F656 HydrophobicContact CZ3-CG 4.43Å; Y240-F656 HydrophobicContact CD2-CZ 4.16Å; Y240-F656 HydrophobicContact CG-CZ 4.36Å; I241-F656 HydrophobicContact CD1-CD2 4.15Å; I241-F656 HydrophobicContact CD1-CE2 3.82Å; I241-F656 HydrophobicContact CD1-CZ 4.43Å; I241-F656 HydrophobicContact CG1-CE2 4.3Å; I241-F656 HydrophobicContact CG1-CZ 4.42Å; D652-F656 VanDerWaalsContact O-CB 3.3Å; D652-F656 WeakPolarHBondContact O-CB 3.3Å; D652-F656 PolarHBondContact O-N 3.39Å; H654-F656 VanDerWaalsContact C-N 3.33Å; H654-F656 PolarHBondContact O-N 3.33Å; F656-L658 VanDerWaalsContact C-N 3.35Å; F656-L658 PolarHBondContact O-N 2.82Å; F656-Y659 WeakPolarHBondContact O-CB 3.43Å; F656-Y659 PolarHBondContact O-N 3.23Å; F656-V660 HydrophobicContact CD2-CG2 4.22Å; F656-V660 HydrophobicContact CE1-CG2 4.19Å; F656-V660 HydrophobicContact CE2-CG2 3.69Å; F656-V660 HydrophobicContact CZ-CG2 3.67Å; F656-V660 WeakPolarHBondContact O-CG2 3.1Å; F656-V660 PolarHBondContact O-N 2.87Å
657	C	97	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-37.3	179.3	-70.6	0	0	0	0	112.5	L222 Y232 W236 R653 H654 Y659 V660 V661	L222-C657 HydrophobicContact CD1-CB 3.91Å; L222-C657 HydrophobicContact CD2-CB 3.78Å; Y232-C657 HydrophobicContact CD2-CB 4.37Å; Y232-C657 HydrophobicContact CE2-CB 4.25Å; W236-C657 HydrophobicContact CE3-CB 4.26Å; W236-C657 HydrophobicContact CZ3-CB 4.24Å; R653-C657 WeakPolarHBondContact O-CB 3.27Å; R653-C657 PolarHBondContact O-N 2.85Å; R653-C657 PolarHBondContact O-SG 3.35Å; H654-C657 PolarHBondContact O-N 2.9Å; C657-Y659 VanDerWaalsContact C-N 3.32Å; C657-V660 PolarHBondContact O-N 3.19Å; C657-V661 WeakPolarHBondContact O-CG2 3.22Å; C657-V661 PolarHBondContact O-N 3.3Å
658	L	97.6	Very high	94.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-42.7	173.3	-70.9	167.1	0	0	0	110.7	F210 L218 L222 H654 L655 F656 V661 S662 L672	F210-L658 HydrophobicContact CE1-CD1 4.22Å; F210-L658 HydrophobicContact CZ-CD1 4.21Å; L218-L658 HydrophobicContact CB-CD2 3.62Å; L218-L658 HydrophobicContact CD1-CB 4.43Å; L222-L658 HydrophobicContact CD1-CD2 3.56Å; L222-L658 HydrophobicContact CD1-CG 3.76Å; L222-L658 HydrophobicContact CG-CD2 4.4Å; H654-L658 WeakPolarHBondContact O-CG 3.14Å; H654-L658 PolarHBondContact O-N 3.5Å; L655-L658 PolarHBondContact O-N 2.86Å; F656-L658 VanDerWaalsContact C-N 3.35Å; F656-L658 PolarHBondContact O-N 2.82Å; L658-V661 PolarHBondContact O-N 2.95Å; L658-S662 PolarHBondContact O-N 2.81Å; L658-L672 HydrophobicContact CB-CD1 4.31Å; L658-L672 HydrophobicContact CB-CD2 4.29Å
659	Y	96.1	Very high	94.8	Very high	80 Å²	80	39.3 Å²	39.3	31%	0.314	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-45.9	175.1	176.3	-100.6	0	0	0	112.6	L655 F656 C657 V661 S662 K663 L672 L676	L655-Y659 WeakPolarHBondContact O-CB 3.37Å; L655-Y659 PolarHBondContact O-N 3.29Å; F656-Y659 WeakPolarHBondContact O-CB 3.43Å; F656-Y659 PolarHBondContact O-N 3.23Å; C657-Y659 VanDerWaalsContact C-N 3.32Å; Y659-V661 VanDerWaalsContact C-N 3.31Å; Y659-V661 PolarHBondContact O-N 3.34Å; Y659-S662 WeakPolarHBondContact O-CB 3.15Å; Y659-S662 PolarHBondContact O-N 3.38Å; Y659-S662 VanDerWaalsContact O-N 3.08Å; Y659-S662 PolarHBondContact O-OG 3.43Å; Y659-K663 HydrophobicContact CD1-CG 4.46Å; Y659-K663 HydrophobicContact CE1-CG 4.06Å; Y659-K663 HydrophobicContact CE2-CD 4.38Å; Y659-K663 HydrophobicContact CE2-CG 4.32Å; Y659-K663 PolarHBondContact O-N 2.86Å; Y659-K663 WeakPolarHBondContact OH-CE 3.29Å; Y659-L672 HydrophobicContact CD2-CB 4.13Å; Y659-L676 HydrophobicContact CD1-CD1 3.84Å; Y659-L676 HydrophobicContact CD2-CD1 3.7Å; Y659-L676 HydrophobicContact CE2-CD1 4.39Å; Y659-L676 HydrophobicContact CG-CD1 3.36Å
660	V	93.8	Very high	94.8	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-45.8	175.7	171.8	0	0	0	0	111.1	W236 Y240 F656 C657 S662 K663 Y664	W236-V660 HydrophobicContact CD2-CB 4.45Å; W236-V660 HydrophobicContact CD2-CG1 3.7Å; W236-V660 HydrophobicContact CE3-CB 4.06Å; W236-V660 HydrophobicContact CE3-CG1 3.75Å; W236-V660 HydrophobicContact CG-CG1 4.24Å; W236-V660 HydrophobicContact CH2-CG1 4.14Å; W236-V660 HydrophobicContact CZ2-CG1 4.11Å; W236-V660 HydrophobicContact CZ3-CB 4.24Å; W236-V660 HydrophobicContact CZ3-CG1 3.96Å; Y240-V660 HydrophobicContact CD2-CG1 4.36Å; Y240-V660 HydrophobicContact CD2-CG2 4.03Å; Y240-V660 HydrophobicContact CE2-CG1 3.79Å; Y240-V660 HydrophobicContact CE2-CG2 4.28Å; Y240-V660 HydrophobicContact CG-CG2 4.47Å; F656-V660 HydrophobicContact CD2-CG2 4.22Å; F656-V660 HydrophobicContact CE1-CG2 4.19Å; F656-V660 HydrophobicContact CE2-CG2 3.69Å; F656-V660 HydrophobicContact CZ-CG2 3.67Å; F656-V660 WeakPolarHBondContact O-CG2 3.1Å; F656-V660 PolarHBondContact O-N 2.87Å; C657-V660 PolarHBondContact O-N 3.19Å; V660-S662 VanDerWaalsContact C-N 3.35Å; V660-S662 PolarHBondContact O-N 2.78Å; V660-K663 PolarHBondContact O-N 3.32Å; V660-Y664 HydrophobicContact CG1-CD2 3.78Å; V660-Y664 HydrophobicContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact O-CD2 3.26Å; V660-Y664 WeakPolarHBondContact O-CD2 3.25Å; V660-Y664 PolarHBondContact O-N 3.1Å
661	V	93.7	Very high	94.9	Very high	6 Å²	6	39 Å²	39	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-43.3	175.2	176.4	0	0	0	0	111.3	L218 Y221 L222 W236 C657 L658 Y659 K663 Y664 L665	L218-V661 HydrophobicContact CB-CG1 4.3Å; L218-V661 HydrophobicContact CD2-CB 4.25Å; L218-V661 HydrophobicContact CD2-CG1 3.69Å; Y221-V661 HydrophobicContact CD2-CG1 4.08Å; Y221-V661 HydrophobicContact CG-CG1 4.14Å; L222-V661 HydrophobicContact CD2-CG2 3.49Å; L222-V661 VanDerWaalsContact CD2-CG2 3.49Å; L222-V661 HydrophobicContact CG-CG2 4.03Å; W236-V661 HydrophobicContact CH2-CG2 3.7Å; W236-V661 HydrophobicContact CZ3-CG2 3.93Å; C657-V661 WeakPolarHBondContact O-CG2 3.22Å; C657-V661 PolarHBondContact O-N 3.3Å; L658-V661 PolarHBondContact O-N 2.95Å; Y659-V661 VanDerWaalsContact C-N 3.31Å; Y659-V661 PolarHBondContact O-N 3.34Å; V661-K663 PolarHBondContact O-N 2.82Å; V661-Y664 PolarHBondContact O-N 2.87Å; V661-Y664 VanDerWaalsContact O-N 3.15Å; V661-L665 HydrophobicContact CG1-CD1 4.01Å; V661-L665 HydrophobicContact CG1-CG 4.31Å; V661-L665 WeakPolarHBondContact O-CG 3.25Å; V661-L665 PolarHBondContact O-N 2.92Å
662	S	94.8	Very high	94.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-39.5	178.4	75.9	0	0	0	0	111.8	L658 Y659 V660 L665 G666 E667	L658-S662 PolarHBondContact O-N 2.81Å; Y659-S662 WeakPolarHBondContact O-CB 3.15Å; Y659-S662 PolarHBondContact O-N 3.38Å; Y659-S662 VanDerWaalsContact O-N 3.08Å; Y659-S662 PolarHBondContact O-OG 3.43Å; V660-S662 VanDerWaalsContact C-N 3.35Å; V660-S662 PolarHBondContact O-N 2.78Å; S662-L665 PolarHBondContact O-N 3Å; S662-G666 PolarHBondContact O-N 2.86Å; S662-G666 VanDerWaalsContact O-N 3.12Å; S662-E667 PolarHBondContact O-N 3.3Å
663	K	92.4	Very high	94.6	Very high	104 Å²	104	44.9 Å²	44.9	45%	0.452	23%	0.227	S	C	.	.	H	α-helix	trans	-68.4	-38.9	176.3	-64.6	-52.9	-177.7	-174.6	0	113	Y659 V660 V661 L665 G666	Y659-K663 HydrophobicContact CD1-CG 4.46Å; Y659-K663 HydrophobicContact CE1-CG 4.06Å; Y659-K663 HydrophobicContact CE2-CD 4.38Å; Y659-K663 HydrophobicContact CE2-CG 4.32Å; Y659-K663 PolarHBondContact O-N 2.86Å; Y659-K663 WeakPolarHBondContact OH-CE 3.29Å; V660-K663 PolarHBondContact O-N 3.32Å; V661-K663 PolarHBondContact O-N 2.82Å; K663-L665 VanDerWaalsContact C-N 3.26Å; K663-L665 PolarHBondContact O-N 3.5Å; K663-G666 PolarHBondContact O-N 2.72Å
664	Y	88.9	Confident	94.4	Very high	137 Å²	137	46.8 Å²	46.8	54%	0.537	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-31.8	172.7	-80.7	-63.7	0	0	0	113.3	W236 Y240 V660 V661 G666	W236-Y664 HydrophobicContact CZ2-CD2 4.4Å; W236-Y664 AromaticContact CZ2-CE2 3.93Å; W236-Y664 HydrophobicContact CZ2-CE2 3.93Å; Y240-Y664 VanDerWaalsContact OH-CZ 3.27Å; Y240-Y664 PolarHBondContact OH-OH 3.33Å; V660-Y664 HydrophobicContact CG1-CD2 3.78Å; V660-Y664 HydrophobicContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact O-CD2 3.26Å; V660-Y664 WeakPolarHBondContact O-CD2 3.25Å; V660-Y664 PolarHBondContact O-N 3.1Å; V661-Y664 PolarHBondContact O-N 2.87Å; V661-Y664 VanDerWaalsContact O-N 3.15Å; Y664-G666 VanDerWaalsContact C-N 3.34Å
665	L	89.7	Confident	94	Very high	49 Å²	49	47.1 Å²	47.1	26%	0.257	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.1	178.1	-62.4	-179.6	0	0	0	113.5	L218 Y221 V661 S662 K663 E667	L218-L665 HydrophobicContact CD2-CD1 3.76Å; Y221-L665 HydrophobicContact CD2-CD1 3.89Å; Y221-L665 HydrophobicContact CE1-CD2 4.41Å; Y221-L665 HydrophobicContact CE2-CD1 3.6Å; Y221-L665 HydrophobicContact CE2-CD2 3.98Å; Y221-L665 HydrophobicContact CE2-CG 4.39Å; V661-L665 HydrophobicContact CG1-CD1 4.01Å; V661-L665 HydrophobicContact CG1-CG 4.31Å; V661-L665 WeakPolarHBondContact O-CG 3.25Å; V661-L665 PolarHBondContact O-N 2.92Å; S662-L665 PolarHBondContact O-N 3Å; K663-L665 VanDerWaalsContact C-N 3.26Å; K663-L665 PolarHBondContact O-N 3.5Å; L665-E667 HydrophobicContact CB-CB 4.45Å; L665-E667 HydrophobicContact CB-CG 3.75Å; L665-E667 PolarHBondContact O-N 2.93Å
666	G	92.6	Very high	93.6	Very high	70 Å²	70	50.5 Å²	50.5	72%	0.722	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	22.3	-173.8	0	0	0	0	0	113.6	S662 K663 Y664	S662-G666 PolarHBondContact O-N 2.86Å; S662-G666 VanDerWaalsContact O-N 3.12Å; K663-G666 PolarHBondContact O-N 2.72Å; Y664-G666 VanDerWaalsContact C-N 3.34Å
667	E	92.5	Very high	93.1	Very high	64 Å²	64	53.5 Å²	53.5	30%	0.299	28%	0.279	S	S	.	.			trans	-95	136.9	-177.7	-63.4	-77.1	-175.7	0	0	110.1	L214 R217 S662 L665	L214-E667 HydrophobicContact CD1-CB 4.14Å; L214-E667 HydrophobicContact CD1-CG 4.18Å; L214-E667 HydrophobicContact CD2-CB 4.38Å; R217-E667 IonicContact CZ-OE1 3.85Å; R217-E667 IonicContact NH1-OE1 2.7Å; R217-E667 PolarHBondContact NH1-OE1 2.92Å; R217-E667 IonicContact NH2-OE1 2.82Å; S662-E667 PolarHBondContact O-N 3.3Å; L665-E667 HydrophobicContact CB-CB 4.45Å; L665-E667 HydrophobicContact CB-CG 3.75Å; L665-E667 PolarHBondContact O-N 2.93Å
668	E	92.1	Very high	92.6	Very high	155 Å²	155	57.7 Å²	57.7	72%	0.724	30%	0.298	S	S	*	.			trans	-98.7	135.7	172.5	-63.2	-150.7	143.1	0	0	111.1
669	S	94.3	Very high	92.3	Very high	13 Å²	13	59.9 Å²	59.9	9%	0.091	31%	0.313	C	S	.	.			trans	-125.3	113.7	176.1	-179.7	0	0	0	0	109.4	F210 F671 L672 K673	F210-S669 WeakPolarHBondContact CD2-OG 3.42Å; S669-F671 PolarHBondContact O-N 3.48Å; S669-L672 PolarHBondContact O-N 3.22Å; S669-L672 PolarHBondContact OG-N 3.11Å; S669-K673 VanDerWaalsContact O-CB 3.32Å; S669-K673 WeakPolarHBondContact O-CB 3.38Å; S669-K673 PolarHBondContact O-N 2.98Å
670	P	95.3	Very high	92.3	Very high	81 Å²	81	59 Å²	59	53%	0.526	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-40.6	173.4	-25.9	34.9	0	0	0	111.9	L206 K673 E674	L206-P670 HydrophobicContact CD2-CB 4Å; P670-K673 PolarHBondContact O-N 3.21Å; P670-E674 PolarHBondContact O-N 3.02Å; P670-E674 VanDerWaalsContact O-N 3.14Å
671	F	96.6	Very high	92.4	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.009	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-57	176	175.9	-107.6	0	0	0	112.3	Y187 M203 L206 F210 L655 S669 K673 E674 V675	Y187-F671 AromaticContact CD1-CE2 3.75Å; Y187-F671 HydrophobicContact CD1-CE2 3.75Å; Y187-F671 AromaticContact CD1-CZ 3.86Å; Y187-F671 HydrophobicContact CD1-CZ 3.86Å; Y187-F671 AromaticContact CE1-CE2 3.7Å; Y187-F671 HydrophobicContact CE1-CE2 3.7Å; Y187-F671 HydrophobicContact CE1-CZ 4.19Å; Y187-F671 HydrophobicContact CG-CZ 4.4Å; M203-F671 HydrophobicContact SD-CD2 3.79Å; M203-F671 HydrophobicContact SD-CE2 3.88Å; L206-F671 HydrophobicContact CB-CB 4.27Å; L206-F671 HydrophobicContact CB-CD2 4.37Å; F210-F671 HydrophobicContact CB-CB 3.87Å; F210-F671 HydrophobicContact CB-CD1 3.85Å; F210-F671 HydrophobicContact CB-CG 3.95Å; F210-F671 AromaticContact CD1-CD1 3.47Å; F210-F671 HydrophobicContact CD1-CD1 3.47Å; F210-F671 VanDerWaalsContact CD1-CD1 3.47Å; F210-F671 AromaticContact CD1-CE1 3.7Å; F210-F671 HydrophobicContact CD1-CE1 3.7Å; F210-F671 HydrophobicContact CD1-CG 4.4Å; F210-F671 HydrophobicContact CD2-CB 4.49Å; F210-F671 HydrophobicContact CD2-CD1 4.1Å; F210-F671 HydrophobicContact CE1-CD1 4Å; F210-F671 HydrophobicContact CE1-CE1 4.05Å; F210-F671 HydrophobicContact CG-CB 4.22Å; F210-F671 AromaticContact CG-CD1 3.52Å; F210-F671 HydrophobicContact CG-CD1 3.52Å; F210-F671 HydrophobicContact CG-CE1 4.23Å; F210-F671 HydrophobicContact CG-CG 4.12Å; L655-F671 HydrophobicContact CD2-CE1 3.86Å; L655-F671 HydrophobicContact CD2-CZ 4.28Å; S669-F671 PolarHBondContact O-N 3.48Å; F671-K673 VanDerWaalsContact C-N 3.26Å; F671-K673 PolarHBondContact O-N 3.49Å; F671-E674 PolarHBondContact O-N 3.31Å; F671-V675 HydrophobicContact CD1-CG2 4.18Å; F671-V675 HydrophobicContact CD2-CG2 3.75Å; F671-V675 HydrophobicContact CE1-CG2 3.9Å; F671-V675 HydrophobicContact CE2-CG2 3.44Å; F671-V675 VanDerWaalsContact CE2-CG2 3.44Å; F671-V675 HydrophobicContact CG-CG2 4.11Å; F671-V675 HydrophobicContact CZ-CG2 3.53Å; F671-V675 WeakPolarHBondContact O-CB 3.43Å; F671-V675 WeakPolarHBondContact O-CG2 3.49Å; F671-V675 PolarHBondContact O-N 2.99Å
672	L	95.3	Very high	92.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-31	-177.4	-62.7	173.3	0	0	0	112.5	F210 L218 L655 L658 Y659 S669 L676	F210-L672 HydrophobicContact CD2-CG 4.44Å; F210-L672 HydrophobicContact CE1-CD2 4.38Å; F210-L672 HydrophobicContact CE2-CD1 3.67Å; F210-L672 HydrophobicContact CE2-CD2 4.25Å; F210-L672 HydrophobicContact CE2-CG 3.79Å; F210-L672 HydrophobicContact CZ-CD1 3.89Å; F210-L672 HydrophobicContact CZ-CD2 3.9Å; F210-L672 HydrophobicContact CZ-CG 3.97Å; L218-L672 HydrophobicContact CD1-CD1 3.84Å; L655-L672 HydrophobicContact CD2-CD2 4.11Å; L658-L672 HydrophobicContact CB-CD1 4.31Å; L658-L672 HydrophobicContact CB-CD2 4.29Å; Y659-L672 HydrophobicContact CD2-CB 4.13Å; S669-L672 PolarHBondContact O-N 3.22Å; S669-L672 PolarHBondContact OG-N 3.11Å; L672-L676 WeakPolarHBondContact O-CB 3.5Å; L672-L676 WeakPolarHBondContact O-CG 3.41Å; L672-L676 PolarHBondContact O-N 3.41Å
673	K	92.9	Very high	92.8	Very high	151 Å²	151	61.6 Å²	61.6	66%	0.657	32%	0.318	S	S	*	.	H	α-helix	trans	-62.8	-43.9	175.6	-176.2	177.3	179.5	178.1	0	111.5	S669 P670 F671 S677	S669-K673 VanDerWaalsContact O-CB 3.32Å; S669-K673 WeakPolarHBondContact O-CB 3.38Å; S669-K673 PolarHBondContact O-N 2.98Å; P670-K673 PolarHBondContact O-N 3.21Å; F671-K673 VanDerWaalsContact C-N 3.26Å; F671-K673 PolarHBondContact O-N 3.49Å; K673-S677 WeakPolarHBondContact O-CB 3.33Å; K673-S677 PolarHBondContact O-N 3.31Å; K673-S677 PolarHBondContact O-OG 3.41Å
674	E	92.6	Very high	93	Very high	45 Å²	45	56.6 Å²	56.6	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-78.2	-40	-177.9	-168.7	173.6	155.3	0	0	112.4	R202 M203 L206 P670 F671 L676 S677	R202-E674 IonicContact CZ-OE1 3.12Å; R202-E674 IonicContact CZ-OE2 2.84Å; R202-E674 IonicContact NE-OE1 3.51Å; R202-E674 IonicContact NE-OE2 3.86Å; R202-E674 IonicContact NH2-OE1 3.65Å; R202-E674 PolarHBondContact NH2-OE1 2.99Å; R202-E674 IonicContact NH2-OE2 3.89Å; R202-E674 PolarHBondContact NH2-OE2 3.19Å; M203-E674 HydrophobicContact CE-CB 3.92Å; M203-E674 HydrophobicContact CE-CG 3.49Å; M203-E674 VanDerWaalsContact CE-CG 3.49Å; M203-E674 WeakPolarHBondContact CE-OE1 3.24Å; L206-E674 WeakPolarHBondContact CD1-OE2 3.39Å; P670-E674 PolarHBondContact O-N 3.02Å; P670-E674 VanDerWaalsContact O-N 3.14Å; F671-E674 PolarHBondContact O-N 3.31Å; E674-L676 PolarHBondContact O-N 3.46Å; E674-S677 PolarHBondContact O-N 2.89Å; E674-S677 PolarHBondContact O-OG 3.3Å
675	V	91.6	Very high	93.4	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-31.7	178.9	170.6	0	0	0	0	112.6	Y187 L655 F671	Y187-V675 HydrophobicContact CD1-CG2 4.27Å; Y187-V675 HydrophobicContact CD2-CG1 3.85Å; Y187-V675 HydrophobicContact CD2-CG2 4.31Å; Y187-V675 HydrophobicContact CE1-CG2 3.67Å; Y187-V675 HydrophobicContact CE2-CB 3.98Å; Y187-V675 HydrophobicContact CE2-CG1 3.51Å; Y187-V675 HydrophobicContact CE2-CG2 3.72Å; Y187-V675 WeakPolarHBondContact OH-CG2 3.5Å; L655-V675 HydrophobicContact CB-CG1 4.47Å; L655-V675 HydrophobicContact CD1-CG1 3.6Å; L655-V675 HydrophobicContact CD2-CG1 4.11Å; L655-V675 HydrophobicContact CG-CG1 4.26Å; F671-V675 HydrophobicContact CD1-CG2 4.18Å; F671-V675 HydrophobicContact CD2-CG2 3.75Å; F671-V675 HydrophobicContact CE1-CG2 3.9Å; F671-V675 HydrophobicContact CE2-CG2 3.44Å; F671-V675 VanDerWaalsContact CE2-CG2 3.44Å; F671-V675 HydrophobicContact CG-CG2 4.11Å; F671-V675 HydrophobicContact CZ-CG2 3.53Å; F671-V675 WeakPolarHBondContact O-CB 3.43Å; F671-V675 WeakPolarHBondContact O-CG2 3.49Å; F671-V675 PolarHBondContact O-N 2.99Å
676	L	88.6	Confident	93.7	Very high	71 Å²	71	51.3 Å²	51.3	37%	0.372	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.6	-176.5	-63.2	174.3	0	0	0	113.5	Y659 L672 E674	Y659-L676 HydrophobicContact CD1-CD1 3.84Å; Y659-L676 HydrophobicContact CD2-CD1 3.7Å; Y659-L676 HydrophobicContact CE2-CD1 4.39Å; Y659-L676 HydrophobicContact CG-CD1 3.36Å; L672-L676 WeakPolarHBondContact O-CB 3.5Å; L672-L676 WeakPolarHBondContact O-CG 3.41Å; L672-L676 PolarHBondContact O-N 3.41Å; E674-L676 PolarHBondContact O-N 3.46Å
677	S	86.6	Confident	93.5	Very high	79 Å²	79	48.8 Å²	48.8	55%	0.552	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-20.7	-178.9	59.5	0	0	0	0	114.3	K673 E674 P679	K673-S677 WeakPolarHBondContact O-CB 3.33Å; K673-S677 PolarHBondContact O-N 3.31Å; K673-S677 PolarHBondContact O-OG 3.41Å; E674-S677 PolarHBondContact O-N 2.89Å; E674-S677 PolarHBondContact O-OG 3.3Å; S677-P679 WeakPolarHBondContact O-CD 3.33Å
678	E	86	Confident	93.1	Very high	88 Å²	88	48 Å²	48	41%	0.411	25%	0.25	S	C	.	.	S	Bend	trans	-72.9	123.9	-176.8	-171.4	61.9	-149.5	0	0	110.9	L586 R681	L586-E678 HydrophobicContact CB-CG 4.08Å; L586-E678 HydrophobicContact CD2-CB 4.02Å; L586-E678 HydrophobicContact CD2-CG 3.88Å; E678-R681 IonicContact OE1-CZ 3.36Å; E678-R681 IonicContact OE1-NH1 3.46Å; E678-R681 PolarHBondContact OE1-NH1 2.97Å
679	P	91.9	Very high	92.6	Very high	47 Å²	47	42.4 Å²	42.4	31%	0.305	22%	0.224	S	C	.	.			trans	-73.5	143.9	-179.6	29	-34.9	0	0	0	112.4	S677 R681 A714	S677-P679 WeakPolarHBondContact O-CD 3.33Å; P679-R681 HydrophobicContact CG-CG 4.39Å; P679-R681 PolarHBondContact O-N 2.96Å; P679-A714 HydrophobicContact CB-CB 4.18Å
680	W	95.2	Very high	91.9	Very high	62 Å²	62	44.1 Å²	44.1	24%	0.235	23%	0.231	C	C	.	.			trans	-77.2	82	173.3	-59.4	102	0	0	0	110.5	L586 Y588 T603 R605 D652 L682 V713	L586-W680 HydrophobicContact CB-CE3 4.4Å; L586-W680 HydrophobicContact CD1-CE3 4.23Å; L586-W680 HydrophobicContact CD1-CH2 4.12Å; L586-W680 HydrophobicContact CD1-CZ3 3.66Å; L586-W680 HydrophobicContact CD2-CD2 3.82Å; L586-W680 HydrophobicContact CD2-CE3 3.59Å; L586-W680 HydrophobicContact CD2-CH2 3.86Å; L586-W680 HydrophobicContact CD2-CZ2 4.06Å; L586-W680 HydrophobicContact CD2-CZ3 3.63Å; L586-W680 HydrophobicContact CG-CD2 4.14Å; L586-W680 HydrophobicContact CG-CE3 3.4Å; L586-W680 HydrophobicContact CG-CH2 4.02Å; L586-W680 HydrophobicContact CG-CZ3 3.35Å; Y588-W680 VanDerWaalsContact CB-CE3 3.47Å; Y588-W680 HydrophobicContact CD2-CD2 4.26Å; Y588-W680 HydrophobicContact CD2-CE3 4.36Å; Y588-W680 HydrophobicContact CD2-CZ2 4.46Å; Y588-W680 HydrophobicContact CD2-CZ3 4.49Å; Y588-W680 HydrophobicContact CG-CD2 4.5Å; Y588-W680 HydrophobicContact CG-CE3 4.44Å; T603-W680 HydrophobicContact CG2-CH2 3.77Å; T603-W680 HydrophobicContact CG2-CZ2 4.36Å; T603-W680 HydrophobicContact CG2-CZ3 4.11Å; R605-W680 HydrophobicContact CG-CH2 4.07Å; R605-W680 HydrophobicContact CG-CZ3 4.18Å; D652-W680 WeakPolarHBondContact OD1-CH2 3.27Å; D652-W680 WeakPolarHBondContact OD1-CZ2 3.2Å; W680-L682 PolarHBondContact O-N 3.25Å; W680-V713 HydrophobicContact CB-CG2 3.8Å; W680-V713 WeakPolarHBondContact O-CG2 3.35Å
681	R	96.4	Very high	91.5	Very high	59 Å²	59	42.2 Å²	42.2	22%	0.223	22%	0.215	C	C	.	.	S	Bend	trans	-69.2	-15.8	-177.9	-68.9	-175.1	179.3	86.3	2.2	114.2	C585 L586 E678 P679 D716 G717 Y718	C585-R681 HydrophobicContact CB-CB 3.96Å; L586-R681 PolarHBondContact O-N 3.43Å; E678-R681 IonicContact OE1-CZ 3.36Å; E678-R681 IonicContact OE1-NH1 3.46Å; E678-R681 PolarHBondContact OE1-NH1 2.97Å; P679-R681 HydrophobicContact CG-CG 4.39Å; P679-R681 PolarHBondContact O-N 2.96Å; R681-D716 IonicContact CZ-OD2 3.65Å; R681-D716 IonicContact NE-OD1 3.67Å; R681-D716 IonicContact NE-OD2 3.67Å; R681-D716 PolarHBondContact NE-OD2 3.23Å; R681-D716 IonicContact NH2-OD2 3.85Å; R681-D716 PolarHBondContact NH2-OD2 2.96Å; R681-G717 CarbonylContact O-C 3.49Å; R681-G717 WeakPolarHBondContact O-CA 3.43Å; R681-Y718 PolarHBondContact O-N 3.44Å
682	L	98.2	Very high	90.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.7	166.1	-179.1	60	0	0	0	108.6	L573 H577 T587 Y588 W680 T684 V720 F748	L573-L682 HydrophobicContact CB-CD2 4.29Å; H577-L682 HydrophobicContact CB-CD2 4.46Å; T587-L682 CarbonylContact C-O 3.28Å; T587-L682 VanDerWaalsContact CA-O 3.29Å; T587-L682 WeakPolarHBondContact CA-O 3.45Å; T587-L682 HydrophobicContact CG2-CB 4.04Å; T587-L682 HydrophobicContact CG2-CD2 3.78Å; T587-L682 HydrophobicContact CG2-CG 3.84Å; Y588-L682 PolarHBondContact N-O 3.35Å; W680-L682 PolarHBondContact O-N 3.25Å; L682-T684 HydrophobicContact CD1-CG2 4.05Å; L682-T684 HydrophobicContact CD2-CG2 4.42Å; L682-T684 HydrophobicContact CG-CG2 3.82Å; L682-V720 HydrophobicContact CD1-CG2 3.84Å; L682-F748 HydrophobicContact CD1-CE1 4.01Å; L682-F748 HydrophobicContact CD1-CZ 4.08Å
683	S	98.3	Very high	89.8	Confident	9 Å²	9	52 Å²	52	6%	0.063	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.3	178.9	-178.5	0	0	0	0	110.4	V713 Y718 G719 V720	S683-V713 VanDerWaalsContact CB-CG2 3.49Å; S683-Y718 PolarHBondContact N-O 2.8Å; S683-G719 CarbonylContact O-C 3.55Å; S683-G719 WeakPolarHBondContact O-CA 3.44Å; S683-V720 PolarHBondContact O-N 3.22Å
684	T	98.3	Very high	89.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.7	-169.1	74.8	0	0	0	0	112.6	Q570 L573 T587 Y588 E589 A590 L682 V720	Q570-T684 PolarHBondContact NE2-OG1 3.29Å; L573-T684 HydrophobicContact CD1-CG2 3.79Å; T587-T684 HydrophobicContact CG2-CG2 4.33Å; Y588-T684 WeakPolarHBondContact O-CA 3.49Å; Y588-T684 WeakPolarHBondContact O-CB 3.48Å; Y588-T684 PolarHBondContact O-N 3.31Å; Y588-T684 PolarHBondContact O-OG1 3.3Å; E589-T684 WeakPolarHBondContact CA-O 3.27Å; E589-T684 WeakPolarHBondContact CA-OG1 3.41Å; E589-T684 WeakPolarHBondContact CB-OG1 3.24Å; A590-T684 PolarHBondContact N-O 3.29Å; L682-T684 HydrophobicContact CD1-CG2 4.05Å; L682-T684 HydrophobicContact CD2-CG2 4.42Å; L682-T684 HydrophobicContact CG-CG2 3.82Å; T684-V720 CarbonylContact C-O 3.53Å; T684-V720 WeakPolarHBondContact CA-O 3.34Å; T684-V720 HydrophobicContact CG2-CB 4.28Å
685	S	96.9	Very high	88.7	Confident	22 Å²	22	47 Å²	47	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	131.1	173.7	-171.1	0	0	0	0	111.5	V720 S721 Y722	S685-V720 PolarHBondContact N-O 2.92Å; S685-S721 WeakPolarHBondContact O-CA 3.32Å; S685-Y722 PolarHBondContact O-N 2.91Å
686	Q	94.6	Very high	88.1	Confident	52 Å²	52	50 Å²	50	24%	0.243	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.8	162.3	-170.1	-173.8	26.3	0	0	109.7	D566 Y722	D566-Q686 PolarHBondContact OD1-OE1 2.99Å; Q686-Y722 WeakPolarHBondContact CA-O 3.49Å; Q686-Y722 HydrophobicContact CB-CD2 4.23Å; Q686-Y722 HydrophobicContact CB-CE2 3.59Å; Q686-Y722 HydrophobicContact CG-CD2 4.02Å; Q686-Y722 HydrophobicContact CG-CE2 3.63Å
687	T	89.6	Confident	87.8	Confident	17 Å²	17	47.8 Å²	47.8	10%	0.104	25%	0.248	C	C	.	.			trans	-99.1	114.1	168.8	-60.3	0	0	0	0	110.2	A478 L689 Y722 I723	A478-T687 HydrophobicContact CB-CG2 4.28Å; T687-L689 PolarHBondContact O-N 3.29Å; T687-Y722 PolarHBondContact N-O 3.46Å; T687-I723 WeakPolarHBondContact O-CG2 3.44Å
688	P	84.8	Confident	87.6	Confident	49 Å²	49	48.4 Å²	48.4	32%	0.318	26%	0.258	S	S	.	.			trans	-68.5	124.5	176.9	28.3	-32.5	0	0	0	110	P479 Q691	P479-P688 HydrophobicContact CB-CG 4.15Å; P479-P688 HydrophobicContact CG-CG 4.15Å; P688-Q691 HydrophobicContact CB-CG 4.29Å; P688-Q691 HydrophobicContact CG-CG 4.37Å; P688-Q691 PolarHBondContact O-NE2 3.42Å
689	L	80.8	Confident	87.5	Confident	36 Å²	36	53.5 Å²	53.5	19%	0.188	27%	0.273	C	S	.	.			trans	-108.2	161.1	169.8	-77.3	172.3	0	0	0	111.2	E486 T687 Q691 I723 L725	E486-L689 HydrophobicContact CG-CD2 4.06Å; E486-L689 VanDerWaalsContact OE1-CA 3.26Å; E486-L689 WeakPolarHBondContact OE1-CA 3.33Å; T687-L689 PolarHBondContact O-N 3.29Å; L689-Q691 VanDerWaalsContact C-N 3.34Å; L689-I723 HydrophobicContact CD1-CB 3.96Å; L689-I723 HydrophobicContact CD1-CD1 3.27Å; L689-I723 HydrophobicContact CD1-CG1 4.2Å; L689-I723 HydrophobicContact CD1-CG2 3.88Å; L689-I723 HydrophobicContact CG-CG2 4.33Å; L689-L725 HydrophobicContact CB-CD2 4.04Å; L689-L725 HydrophobicContact CD1-CD2 3.76Å
690	Q	80.1	Confident	87.1	Confident	50 Å²	50	55.1 Å²	55.1	23%	0.234	28%	0.277	C	S	.	.			trans	60.3	38.1	-168.2	-54.7	-178.5	-72.8	0	0	113.2	E486 V692 E693 F695 L697	E486-Q690 VanDerWaalsContact CD-N 3.28Å; E486-Q690 WeakPolarHBondContact OE1-CA 3.16Å; E486-Q690 PolarHBondContact OE1-N 2.88Å; E486-Q690 WeakPolarHBondContact OE2-CA 3.43Å; Q690-V692 PolarHBondContact O-N 3.22Å; Q690-E693 PolarHBondContact O-N 2.97Å; Q690-F695 PolarHBondContact NE2-O 2.92Å; Q690-F695 VanDerWaalsContact NE2-O 3.09Å; Q690-L697 VanDerWaalsContact CD-CD1 3.43Å; Q690-L697 HydrophobicContact CG-CD1 4.21Å
691	Q	85.4	Confident	86.6	Confident	41 Å²	41	56.1 Å²	56.1	19%	0.192	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.3	-179.8	-68.5	179	62.3	0	0	113.6	L295 P479 E486 P688 L689	L295-Q691 HydrophobicContact CD2-CB 4.28Å; P479-Q691 PolarHBondContact O-NE2 2.97Å; P479-Q691 PolarHBondContact O-OE1 3.18Å; E486-Q691 PolarHBondContact OE1-N 3.45Å; E486-Q691 VanDerWaalsContact OE1-N 3.13Å; E486-Q691 PolarHBondContact OE2-N 3.31Å; P688-Q691 HydrophobicContact CB-CG 4.29Å; P688-Q691 HydrophobicContact CG-CG 4.37Å; P688-Q691 PolarHBondContact O-NE2 3.42Å; L689-Q691 VanDerWaalsContact C-N 3.34Å
692	V	77	Confident	86	Confident	52 Å²	52	56.7 Å²	56.7	32%	0.315	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	10.8	-179	-80.1	0	0	0	0	113.4	L295 H483 Q690 L694	L295-V692 HydrophobicContact CD2-CG1 4.14Å; H483-V692 WeakPolarHBondContact NE2-CG1 3.13Å; Q690-V692 PolarHBondContact O-N 3.22Å; V692-L694 VanDerWaalsContact C-N 3.25Å; V692-L694 HydrophobicContact CB-CG 4.15Å; V692-L694 HydrophobicContact CG2-CD1 3.57Å; V692-L694 HydrophobicContact CG2-CD2 4.39Å; V692-L694 HydrophobicContact CG2-CG 3.57Å; V692-L694 PolarHBondContact O-N 3.46Å
693	E	79.8	Confident	85.4	Confident	155 Å²	155	58.7 Å²	58.7	72%	0.724	31%	0.307	S	S	*	.			trans	49.5	41.6	176.4	-61.2	176.8	175.6	0	0	113.5	Q690 F695	Q690-E693 PolarHBondContact O-N 2.97Å; E693-F695 PolarHBondContact O-N 2.94Å
694	L	83	Confident	84.8	Confident	59 Å²	59	58.7 Å²	58.7	31%	0.309	31%	0.306	S	S	.	.			trans	-74.5	-10.4	-176	-67.5	175.9	0	0	0	114.4	H487 V692	H487-L694 HydrophobicContact CB-CD1 4.34Å; V692-L694 VanDerWaalsContact C-N 3.25Å; V692-L694 HydrophobicContact CB-CG 4.15Å; V692-L694 HydrophobicContact CG2-CD1 3.57Å; V692-L694 HydrophobicContact CG2-CD2 4.39Å; V692-L694 HydrophobicContact CG2-CG 3.57Å; V692-L694 PolarHBondContact O-N 3.46Å
695	F	78.7	Confident	84.3	Confident	33 Å²	33	59.1 Å²	59.1	15%	0.145	31%	0.309	C	S	.	.	S	Bend	trans	-136.1	141.5	-179.9	-52.6	-91.5	0	0	0	110.7	F260 E486 L489 S490 Q690 E693 M703	F260-F695 HydrophobicContact CE1-CE1 4.28Å; F260-F695 HydrophobicContact CE1-CZ 4.12Å; F260-F695 AromaticContact CZ-CE1 3.6Å; F260-F695 HydrophobicContact CZ-CE1 3.6Å; F260-F695 AromaticContact CZ-CZ 3.6Å; F260-F695 HydrophobicContact CZ-CZ 3.6Å; E486-F695 WeakPolarHBondContact O-CE2 3.37Å; L489-F695 HydrophobicContact CB-CE2 4.39Å; L489-F695 HydrophobicContact CB-CZ 3.78Å; S490-F695 VanDerWaalsContact CB-CE2 3.5Å; Q690-F695 PolarHBondContact NE2-O 2.92Å; Q690-F695 VanDerWaalsContact NE2-O 3.09Å; E693-F695 PolarHBondContact O-N 2.94Å; F695-M703 HydrophobicContact CD1-SD 4.42Å
696	D	80.3	Confident	83.9	Confident	70 Å²	70	58.1 Å²	58.1	37%	0.374	30%	0.302	S	S	.	.			trans	-95.3	94	170.3	-172.8	-17.6	0	0	0	109	A698 R699 H700	D696-A698 PolarHBondContact O-N 2.92Å; D696-A698 WeakPolarHBondContact OD1-CB 3.49Å; D696-A698 PolarHBondContact OD1-N 2.86Å; D696-R699 HydrophobicContact CB-CB 4.23Å; D696-R699 HydrophobicContact CB-CG 4.46Å; D696-R699 PolarHBondContact O-N 3.34Å; D696-R699 PolarHBondContact OD1-N 3.12Å; D696-R699 WeakPolarHBondContact OD2-CD 3.32Å; D696-R699 VanDerWaalsContact OD2-CG 3.31Å; D696-R699 WeakPolarHBondContact OD2-CG 3.46Å; D696-R699 IonicContact OD2-NE 3.04Å; D696-R699 PolarHBondContact OD2-NE 3.27Å; D696-H700 PolarHBondContact O-N 3.48Å
697	L	82	Confident	83.8	Confident	23 Å²	23	56 Å²	56	12%	0.12	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15	178.1	-67.6	179.4	0	0	0	113.1	Q690 P701 M703 V704 L725	Q690-L697 VanDerWaalsContact CD-CD1 3.43Å; Q690-L697 HydrophobicContact CG-CD1 4.21Å; L697-P701 WeakPolarHBondContact O-CA 3.35Å; L697-M703 VanDerWaalsContact CD2-O 3.31Å; L697-M703 WeakPolarHBondContact CD2-O 3.4Å; L697-V704 HydrophobicContact CD1-CG1 4.37Å; L697-V704 HydrophobicContact CD2-CG1 3.7Å; L697-L725 HydrophobicContact CD1-CB 4.44Å; L697-L725 HydrophobicContact CD1-CD2 4.3Å
698	A	82.1	Confident	84	Confident	92 Å²	92	55.6 Å²	55.6	76%	0.76	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-34	173.8	0	0	0	0	0	111.1	D696	D696-A698 PolarHBondContact O-N 2.92Å; D696-A698 WeakPolarHBondContact OD1-CB 3.49Å; D696-A698 PolarHBondContact OD1-N 2.86Å
699	R	83.6	Confident	84.6	Confident	195 Å²	195	53.4 Å²	53.4	74%	0.736	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-29.5	176	-68	-178.6	-174.7	-174.8	0.1	113.6	D696 P701	D696-R699 HydrophobicContact CB-CB 4.23Å; D696-R699 HydrophobicContact CB-CG 4.46Å; D696-R699 PolarHBondContact O-N 3.34Å; D696-R699 PolarHBondContact OD1-N 3.12Å; D696-R699 WeakPolarHBondContact OD2-CD 3.32Å; D696-R699 VanDerWaalsContact OD2-CG 3.31Å; D696-R699 WeakPolarHBondContact OD2-CG 3.46Å; D696-R699 IonicContact OD2-NE 3.04Å; D696-R699 PolarHBondContact OD2-NE 3.27Å; R699-P701 VanDerWaalsContact C-CD 3.49Å
700	H	84	Confident	85.4	Confident	82 Å²	82	53.6 Å²	53.6	38%	0.38	28%	0.279	S	S	.	.			trans	-128.9	67.5	-177.9	-63.2	-69.1	0	0	0	110.7	D696 E702 M703	D696-H700 PolarHBondContact O-N 3.48Å; H700-E702 WeakPolarHBondContact CA-OE2 3.29Å; H700-E702 IonicContact CG-OE1 4Å; H700-E702 IonicContact ND1-OE1 2.79Å; H700-E702 PolarHBondContact ND1-OE1 2.92Å; H700-E702 PolarHBondContact O-N 2.9Å; H700-M703 HydrophobicContact CB-CB 4.22Å; H700-M703 HydrophobicContact CB-CE 4.18Å; H700-M703 HydrophobicContact CB-CG 3.96Å; H700-M703 HydrophobicContact CB-SD 3.89Å; H700-M703 PolarHBondContact O-N 2.88Å; H700-M703 VanDerWaalsContact O-N 3.11Å
701	P	84.4	Confident	86.2	Confident	83 Å²	83	51.3 Å²	51.3	54%	0.539	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.2	-178.3	26.9	-36.1	0	0	0	113.5	L697 R699 V704	L697-P701 WeakPolarHBondContact O-CA 3.35Å; R699-P701 VanDerWaalsContact C-CD 3.49Å; P701-V704 WeakPolarHBondContact O-CG1 3.47Å
702	E	84.1	Confident	86.7	Confident	71 Å²	71	49.4 Å²	49.4	33%	0.332	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-25.9	175.8	71.1	-73.5	173.6	0	0	113.4	V263 H700 V704	V263-E702 HydrophobicContact CG2-CB 3.94Å; V263-E702 HydrophobicContact CG2-CG 3.5Å; V263-E702 VanDerWaalsContact CG2-CG 3.5Å; V263-E702 WeakPolarHBondContact CG2-O 3.34Å; H700-E702 WeakPolarHBondContact CA-OE2 3.29Å; H700-E702 IonicContact CG-OE1 4Å; H700-E702 IonicContact ND1-OE1 2.79Å; H700-E702 PolarHBondContact ND1-OE1 2.92Å; H700-E702 PolarHBondContact O-N 2.9Å; E702-V704 PolarHBondContact O-N 3.45Å
703	M	85.3	Confident	87.5	Confident	42 Å²	42	50.8 Å²	50.8	21%	0.207	27%	0.268	C	S	.	.			trans	-81.7	48.7	-177.2	-64.8	-174	-166.4	0	0	112.3	F260 V263 F695 L697 H700	F260-M703 VanDerWaalsContact CD1-C 3.48Å; F260-M703 HydrophobicContact CD1-CB 4.41Å; F260-M703 HydrophobicContact CE1-CB 3.98Å; F260-M703 VanDerWaalsContact CE1-O 3.23Å; F260-M703 WeakPolarHBondContact CE1-O 3.27Å; F260-M703 HydrophobicContact CZ-CB 4.24Å; V263-M703 HydrophobicContact CG2-CG 4.04Å; F695-M703 HydrophobicContact CD1-SD 4.42Å; L697-M703 VanDerWaalsContact CD2-O 3.31Å; L697-M703 WeakPolarHBondContact CD2-O 3.4Å; H700-M703 HydrophobicContact CB-CB 4.22Å; H700-M703 HydrophobicContact CB-CE 4.18Å; H700-M703 HydrophobicContact CB-CG 3.96Å; H700-M703 HydrophobicContact CB-SD 3.89Å; H700-M703 PolarHBondContact O-N 2.88Å; H700-M703 VanDerWaalsContact O-N 3.11Å
704	V	86.4	Confident	88.2	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.055	24%	0.237	C	C	.	.			trans	-104.5	133.9	178.4	-71.2	0	0	0	0	111.4	F260 L261 Y262 L697 P701 E702 L725 L729	F260-V704 CarbonylContact C-O 3.45Å; F260-V704 WeakPolarHBondContact CA-O 3.45Å; L261-V704 PolarHBondContact N-O 2.96Å; Y262-V704 HydrophobicContact CD2-CG2 3.49Å; Y262-V704 VanDerWaalsContact CD2-CG2 3.49Å; Y262-V704 HydrophobicContact CE2-CG2 3.43Å; Y262-V704 VanDerWaalsContact CE2-CG2 3.43Å; L697-V704 HydrophobicContact CD1-CG1 4.37Å; L697-V704 HydrophobicContact CD2-CG1 3.7Å; P701-V704 WeakPolarHBondContact O-CG1 3.47Å; E702-V704 PolarHBondContact O-N 3.45Å; V704-L725 HydrophobicContact CB-CD1 4.06Å; V704-L725 HydrophobicContact CG1-CD1 4.18Å; V704-L729 HydrophobicContact CB-CD2 4.46Å; V704-L729 HydrophobicContact CG1-CD2 4.36Å; V704-L729 HydrophobicContact CG2-CD2 4.38Å
705	S	87.8	Confident	88.8	Confident	9 Å²	9	45.9 Å²	45.9	6%	0.063	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-96.7	141.2	166.4	166.6	0	0	0	0	108.6	M258 D259 G707 I723 L725	M258-S705 PolarHBondContact O-OG 3.09Å; D259-S705 WeakPolarHBondContact O-CA 3.46Å; D259-S705 WeakPolarHBondContact O-CB 3.41Å; D259-S705 PolarHBondContact O-OG 3.18Å; S705-G707 PolarHBondContact O-N 2.8Å; S705-G707 PolarHBondContact OG-N 3.42Å; S705-G707 VanDerWaalsContact OG-N 3.15Å; S705-I723 VanDerWaalsContact O-CD1 3.31Å; S705-I723 WeakPolarHBondContact O-CD1 3.44Å; S705-L725 VanDerWaalsContact O-CD1 3.25Å; S705-L725 WeakPolarHBondContact O-CD1 3.46Å
706	S	87.5	Confident	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.			trans	-65.9	-10.9	172.5	40	0	0	0	0	113.4	M258 L261 I723 N731 H733	M258-S706 VanDerWaalsContact CB-OG 3.23Å; M258-S706 WeakPolarHBondContact CB-OG 3.43Å; M258-S706 PolarHBondContact SD-OG 3.3Å; L261-S706 WeakPolarHBondContact CD2-OG 3.34Å; S706-I723 WeakPolarHBondContact O-CD1 3.42Å; S706-I723 WeakPolarHBondContact O-CG1 3.26Å; S706-N731 VanDerWaalsContact O-CB 3.26Å; S706-N731 WeakPolarHBondContact O-CB 3.5Å; S706-H733 PolarHBondContact O-NE2 3.37Å
707	G	92.4	Very high	90.4	Very high	7 Å²	7	43 Å²	43	7%	0.072	24%	0.235	C	C	.	.			trans	90.2	-129.3	-176.3	0	0	0	0	0	110.9	A257 M258 S705	A257-G707 CarbonylContact C-O 3.46Å; A257-G707 WeakPolarHBondContact CA-O 3.46Å; M258-G707 PolarHBondContact N-O 2.72Å; S705-G707 PolarHBondContact O-N 2.8Å; S705-G707 PolarHBondContact OG-N 3.42Å; S705-G707 VanDerWaalsContact OG-N 3.15Å
708	G	95.1	Very high	91.2	Very high	10 Å²	10	42 Å²	42	10%	0.103	23%	0.229	C	C	.	.			trans	-167.1	163.4	-168.4	0	0	0	0	0	112.6	Y256 S721 H733	Y256-G708 CarbonylContact O-C 3.46Å; Y256-G708 WeakPolarHBondContact O-CA 3.31Å; G708-S721 WeakPolarHBondContact O-CB 3.38Å; G708-S721 PolarHBondContact O-OG 3.09Å; G708-H733 PolarHBondContact N-NE2 2.85Å
709	G	96.9	Very high	91.9	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	19%	0.194	C	C	.	.			trans	-145.1	-176.4	-176.3	0	0	0	0	0	113.4	Y255 Y256	Y255-G709 WeakPolarHBondContact CA-O 3.23Å; Y255-G709 WeakPolarHBondContact CB-O 3.46Å; Y256-G709 WeakPolarHBondContact CD1-O 3.45Å; Y256-G709 VanDerWaalsContact CE1-C 3.41Å; Y256-G709 WeakPolarHBondContact CE1-O 3.48Å; Y256-G709 PolarHBondContact N-O 2.9Å; Y256-G709 PolarHBondContact O-N 2.88Å
710	F	98.2	Very high	92.7	Very high	40 Å²	40	28.3 Å²	28.3	18%	0.175	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-147.7	163.5	-179.3	53.2	-88.8	0	0	0	109.5	S735	F710-S735 WeakPolarHBondContact O-CB 3.48Å; F710-S735 PolarHBondContact O-OG 3.45Å
711	G	97.3	Very high	93.3	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	14%	0.142	C	C	.	.			trans	-73.7	165.6	175.6	0	0	0	0	0	113.3	S735	G711-S735 VanDerWaalsContact C-OG 3.31Å; G711-S735 WeakPolarHBondContact CA-OG 3.14Å
712	P	95.9	Very high	93.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.116	C	C	.	.			trans	-67.2	147	177.5	31.3	-37.1	0	0	0	111.1	S735 K737	P712-S735 WeakPolarHBondContact CD-OG 3.4Å; P712-K737 HydrophobicContact CG-CG 3.82Å
713	V	93.1	Very high	94.5	Very high	80 Å²	80	17.2 Å²	17.2	49%	0.485	10%	0.1	S	C	.	.	S	Bend	trans	-92.4	-9	180	-56.4	0	0	0	0	113.7	W680 S683	W680-V713 HydrophobicContact CB-CG2 3.8Å; W680-V713 WeakPolarHBondContact O-CG2 3.35Å; S683-V713 VanDerWaalsContact CB-CG2 3.49Å
714	A	94.4	Very high	94.9	Very high	9 Å²	9	16.3 Å²	16.3	7%	0.074	10%	0.096	C	C	.	.	S	Bend	trans	-132.8	143.2	175.4	0	0	0	0	0	108.7	P679 D716 G717	P679-A714 HydrophobicContact CB-CB 4.18Å; A714-D716 PolarHBondContact O-N 3.44Å; A714-G717 PolarHBondContact O-N 2.87Å; A714-G717 VanDerWaalsContact O-N 3.16Å
715	D	94.8	Very high	95	Very high	103 Å²	103	16.2 Å²	16.2	55%	0.551	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.4	-176.4	-65.9	-20.2	0	0	0	112.4	K737 S740	D715-K737 HydrophobicContact CB-CD 4.32Å; D715-K737 VanDerWaalsContact OD1-CE 3.29Å; D715-K737 WeakPolarHBondContact OD1-CE 3.21Å; D715-K737 IonicContact OD1-NZ 2.63Å; D715-K737 PolarHBondContact OD1-NZ 3.28Å; D715-S740 VanDerWaalsContact O-CB 3.25Å; D715-S740 WeakPolarHBondContact O-CB 3.46Å
716	D	95.8	Very high	94.9	Very high	42 Å²	42	16.9 Å²	16.9	23%	0.225	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.7	178.3	66.3	-19.5	0	0	0	113.9	K581 R681 A714 T743	K581-D716 PolarHBondContact NZ-O 3.38Å; R681-D716 IonicContact CZ-OD2 3.65Å; R681-D716 IonicContact NE-OD1 3.67Å; R681-D716 IonicContact NE-OD2 3.67Å; R681-D716 PolarHBondContact NE-OD2 3.23Å; R681-D716 IonicContact NH2-OD2 3.85Å; R681-D716 PolarHBondContact NH2-OD2 2.96Å; A714-D716 PolarHBondContact O-N 3.44Å; D716-T743 VanDerWaalsContact O-CG2 3.3Å; D716-T743 WeakPolarHBondContact O-CG2 3.49Å
717	G	97	Very high	95	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-121.4	-176.3	-174.2	0	0	0	0	0	115.4	R681 A714	R681-G717 CarbonylContact O-C 3.49Å; R681-G717 WeakPolarHBondContact O-CA 3.43Å; A714-G717 PolarHBondContact O-N 2.87Å; A714-G717 VanDerWaalsContact O-N 3.16Å
718	Y	98.6	Very high	95	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.2	179.6	-63.3	-80.1	0	0	0	111.8	N580 R681 S683 I734 S735 T743 D744 F748	N580-Y718 PolarHBondContact OD1-OH 3.12Å; R681-Y718 PolarHBondContact O-N 3.44Å; S683-Y718 PolarHBondContact N-O 2.8Å; Y718-I734 HydrophobicContact CD1-CG2 4.34Å; Y718-S735 CarbonylContact C-O 3.57Å; Y718-S735 VanDerWaalsContact CA-O 3.29Å; Y718-S735 WeakPolarHBondContact CA-O 3.16Å; Y718-T743 HydrophobicContact CD2-CG2 4.49Å; Y718-T743 HydrophobicContact CE1-CG2 4.22Å; Y718-T743 HydrophobicContact CE2-CG2 4.05Å; Y718-T743 WeakPolarHBondContact OH-CA 3.37Å; Y718-D744 PolarHBondContact OH-N 3.32Å; Y718-D744 VanDerWaalsContact OH-N 3.07Å; Y718-F748 HydrophobicContact CD1-CB 4.29Å; Y718-F748 AromaticContact CD1-CD1 3.56Å; Y718-F748 HydrophobicContact CD1-CD1 3.56Å; Y718-F748 HydrophobicContact CD1-CE1 4.22Å; Y718-F748 HydrophobicContact CD1-CG 4.17Å; Y718-F748 AromaticContact CD2-CD1 3.89Å; Y718-F748 HydrophobicContact CD2-CD1 3.89Å; Y718-F748 AromaticContact CD2-CE1 3.94Å; Y718-F748 HydrophobicContact CD2-CE1 3.94Å; Y718-F748 HydrophobicContact CD2-CG 4.31Å; Y718-F748 HydrophobicContact CD2-CZ 4.42Å; Y718-F748 HydrophobicContact CE1-CB 3.67Å; Y718-F748 AromaticContact CE1-CD1 3.82Å; Y718-F748 HydrophobicContact CE1-CD1 3.82Å; Y718-F748 AromaticContact CE1-CG 3.94Å; Y718-F748 HydrophobicContact CE1-CG 3.94Å; Y718-F748 HydrophobicContact CE2-CB 4.4Å; Y718-F748 HydrophobicContact CE2-CD1 4.09Å; Y718-F748 HydrophobicContact CE2-CD2 4.38Å; Y718-F748 HydrophobicContact CE2-CE1 4.46Å; Y718-F748 HydrophobicContact CE2-CG 4.05Å; Y718-F748 AromaticContact CG-CD1 3.6Å; Y718-F748 HydrophobicContact CG-CD1 3.6Å; Y718-F748 AromaticContact CG-CE1 3.78Å; Y718-F748 HydrophobicContact CG-CE1 3.78Å; Y718-F748 HydrophobicContact CG-CG 4.35Å; Y718-F748 AromaticContact CZ-CG 3.86Å
719	G	98.4	Very high	94.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.9	160	0	0	0	0	0	110	S683 I734 S735	S683-G719 CarbonylContact O-C 3.55Å; S683-G719 WeakPolarHBondContact O-CA 3.44Å; G719-I734 CarbonylContact O-C 3.55Å; G719-I734 WeakPolarHBondContact O-CA 3.31Å; G719-S735 PolarHBondContact N-O 3.48Å; G719-S735 PolarHBondContact O-N 3.31Å
720	V	98.5	Very high	94.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	107.4	178.2	-173.7	0	0	0	0	110.7	L573 L682 S683 T684 S685 F732 H733 I734 F748	L573-V720 HydrophobicContact CD1-CG1 4.23Å; L573-V720 HydrophobicContact CD2-CG1 4.1Å; L682-V720 HydrophobicContact CD1-CG2 3.84Å; S683-V720 PolarHBondContact O-N 3.22Å; T684-V720 CarbonylContact C-O 3.53Å; T684-V720 WeakPolarHBondContact CA-O 3.34Å; T684-V720 HydrophobicContact CG2-CB 4.28Å; S685-V720 PolarHBondContact N-O 2.92Å; V720-F732 HydrophobicContact CG1-CD1 4.17Å; V720-H733 CarbonylContact C-O 3.01Å; V720-H733 WeakPolarHBondContact CA-O 3.44Å; V720-I734 HydrophobicContact CG1-CG1 4.43Å; V720-I734 HydrophobicContact CG2-CG1 4.49Å; V720-I734 HydrophobicContact CG2-CG2 4.46Å; V720-F748 HydrophobicContact CG2-CD1 4.49Å; V720-F748 HydrophobicContact CG2-CE1 3.76Å
721	S	97.9	Very high	94.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143	168	179.9	0	0	0	0	109.8	S685 G708 F732 H733	S685-S721 WeakPolarHBondContact O-CA 3.32Å; G708-S721 WeakPolarHBondContact O-CB 3.38Å; G708-S721 PolarHBondContact O-OG 3.09Å; S721-F732 CarbonylContact O-C 3.56Å; S721-F732 WeakPolarHBondContact O-CA 3.36Å; S721-H733 PolarHBondContact N-O 2.91Å; S721-H733 PolarHBondContact O-N 2.66Å
722	Y	97.6	Very high	94.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.4	172.5	59.1	-87.3	0	0	0	113.1	D566 I569 Q570 L573 E589 S685 Q686 T687 N731 F732	D566-Y722 PolarHBondContact OD1-OH 3.25Å; I569-Y722 HydrophobicContact CB-CE2 4.37Å; I569-Y722 HydrophobicContact CD1-CD2 3.84Å; I569-Y722 HydrophobicContact CD1-CE2 3.95Å; I569-Y722 HydrophobicContact CG2-CD1 4.07Å; I569-Y722 HydrophobicContact CG2-CD2 4.07Å; I569-Y722 HydrophobicContact CG2-CE1 3.99Å; I569-Y722 HydrophobicContact CG2-CE2 4Å; I569-Y722 HydrophobicContact CG2-CG 4.12Å; Q570-Y722 PolarHBondContact NE2-OH 3.39Å; L573-Y722 HydrophobicContact CD1-CE1 4.38Å; E589-Y722 PolarHBondContact OE1-OH 2.94Å; E589-Y722 VanDerWaalsContact OE1-OH 3.12Å; S685-Y722 PolarHBondContact O-N 2.91Å; Q686-Y722 WeakPolarHBondContact CA-O 3.49Å; Q686-Y722 HydrophobicContact CB-CD2 4.23Å; Q686-Y722 HydrophobicContact CB-CE2 3.59Å; Q686-Y722 HydrophobicContact CG-CD2 4.02Å; Q686-Y722 HydrophobicContact CG-CE2 3.63Å; T687-Y722 PolarHBondContact N-O 3.46Å; Y722-N731 WeakPolarHBondContact CA-O 3.48Å; Y722-N731 WeakPolarHBondContact CB-O 3.37Å; Y722-F732 HydrophobicContact CD1-CE1 4.47Å; Y722-F732 HydrophobicContact CG-CD1 4.44Å; Y722-F732 HydrophobicContact CG-CE1 4.21Å
723	I	95.4	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.2	173.9	60.6	160.3	0	0	0	109.5	T687 L689 S705 S706 L725 I730 N731	T687-I723 WeakPolarHBondContact O-CG2 3.44Å; L689-I723 HydrophobicContact CD1-CB 3.96Å; L689-I723 HydrophobicContact CD1-CD1 3.27Å; L689-I723 HydrophobicContact CD1-CG1 4.2Å; L689-I723 HydrophobicContact CD1-CG2 3.88Å; L689-I723 HydrophobicContact CG-CG2 4.33Å; S705-I723 VanDerWaalsContact O-CD1 3.31Å; S705-I723 WeakPolarHBondContact O-CD1 3.44Å; S706-I723 WeakPolarHBondContact O-CD1 3.42Å; S706-I723 WeakPolarHBondContact O-CG1 3.26Å; I723-L725 HydrophobicContact CD1-CD1 3.61Å; I723-L725 HydrophobicContact CD1-CD2 3.98Å; I723-L725 HydrophobicContact CD1-CG 3.7Å; I723-L725 HydrophobicContact CG1-CG 4.34Å; I723-I730 WeakPolarHBondContact O-CA 3.45Å; I723-I730 WeakPolarHBondContact O-CG2 3.5Å; I723-N731 HydrophobicContact CD1-CB 4.04Å; I723-N731 HydrophobicContact CG1-CB 3.68Å; I723-N731 PolarHBondContact N-O 3.05Å; I723-N731 PolarHBondContact O-N 3.01Å
724	I	93.6	Very high	95	Very high	22 Å²	22	21 Å²	21	11%	0.113	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118	177.3	-55.9	-179.4	0	0	0	107.6	K555 P565 I569	K555-I724 HydrophobicContact CB-CG2 3.68Å; K555-I724 HydrophobicContact CD-CG2 3.7Å; K555-I724 HydrophobicContact CG-CG2 3.96Å; P565-I724 HydrophobicContact CB-CD1 3.72Å; I569-I724 HydrophobicContact CD1-CD1 3.87Å; I569-I724 HydrophobicContact CD1-CG1 4.07Å
725	L	89	Confident	95.2	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.037	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.9	-174.7	-65.2	175.8	0	0	0	111.2	L689 L697 V704 S705 I723 L729 N731	L689-L725 HydrophobicContact CB-CD2 4.04Å; L689-L725 HydrophobicContact CD1-CD2 3.76Å; L697-L725 HydrophobicContact CD1-CB 4.44Å; L697-L725 HydrophobicContact CD1-CD2 4.3Å; V704-L725 HydrophobicContact CB-CD1 4.06Å; V704-L725 HydrophobicContact CG1-CD1 4.18Å; S705-L725 VanDerWaalsContact O-CD1 3.25Å; S705-L725 WeakPolarHBondContact O-CD1 3.46Å; I723-L725 HydrophobicContact CD1-CD1 3.61Å; I723-L725 HydrophobicContact CD1-CD2 3.98Å; I723-L725 HydrophobicContact CD1-CG 3.7Å; I723-L725 HydrophobicContact CG1-CG 4.34Å; L725-L729 HydrophobicContact CB-CB 4.21Å; L725-L729 HydrophobicContact CB-CD2 4.25Å; L725-L729 HydrophobicContact CB-CG 4.32Å; L725-L729 HydrophobicContact CD1-CD2 3.84Å; L725-L729 HydrophobicContact CD1-CG 4.35Å; L725-L729 PolarHBondContact N-O 3.16Å; L725-L729 PolarHBondContact O-N 3.22Å; L725-N731 WeakPolarHBondContact CD1-ND2 3.48Å
726	G	86.3	Confident	95.4	Very high	24 Å²	24	15.9 Å²	15.9	25%	0.247	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-147.8	-178.3	0	0	0	0	0	111.5	K555	K555-G726 VanDerWaalsContact CD-O 3.28Å; K555-G726 WeakPolarHBondContact CD-O 3.36Å; K555-G726 WeakPolarHBondContact CE-O 3.45Å; K555-G726 WeakPolarHBondContact CG-O 3.47Å; K555-G726 PolarHBondContact NZ-O 2.85Å
727	E	89.1	Confident	95.5	Very high	85 Å²	85	14.7 Å²	14.7	40%	0.397	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-17.5	175.6	-65.8	-61.1	140	0	0	113.2	G554 K555 G556 K559	G554-E727 CarbonylContact C-O 3.42Å; G554-E727 WeakPolarHBondContact CA-O 3.47Å; K555-E727 VanDerWaalsContact CE-CD 3.46Å; K555-E727 WeakPolarHBondContact CE-OE1 3.49Å; K555-E727 PolarHBondContact N-O 2.94Å; K555-E727 IonicContact NZ-OE1 2.64Å; G556-E727 WeakPolarHBondContact CA-OE2 3.4Å; G556-E727 PolarHBondContact N-O 2.87Å; G556-E727 PolarHBondContact N-OE2 3.25Å; K559-E727 IonicContact NZ-OE1 2.73Å; K559-E727 IonicContact NZ-OE2 3.09Å
728	D	91.2	Very high	95.5	Very high	109 Å²	109	20.6 Å²	20.6	58%	0.583	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-0	-163.2	-54.7	-52.3	0	0	0	115.2	F553	F553-D728 CarbonylContact C-O 3.23Å; F553-D728 VanDerWaalsContact C-O 3.28Å
729	L	92.1	Very high	95.5	Very high	28 Å²	28	24.1 Å²	24.1	15%	0.147	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.7	-176.1	179.9	62.4	0	0	0	112.1	P549 F550 N551 V704 L725	P549-L729 HydrophobicContact CB-CD1 4.49Å; F550-L729 WeakPolarHBondContact O-CD1 3.48Å; N551-L729 HydrophobicContact CB-CD1 4.3Å; V704-L729 HydrophobicContact CB-CD2 4.46Å; V704-L729 HydrophobicContact CG1-CD2 4.36Å; V704-L729 HydrophobicContact CG2-CD2 4.38Å; L725-L729 HydrophobicContact CB-CB 4.21Å; L725-L729 HydrophobicContact CB-CD2 4.25Å; L725-L729 HydrophobicContact CB-CG 4.32Å; L725-L729 HydrophobicContact CD1-CD2 3.84Å; L725-L729 HydrophobicContact CD1-CG 4.35Å; L725-L729 PolarHBondContact N-O 3.16Å; L725-L729 PolarHBondContact O-N 3.22Å
730	I	95.8	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.6	169.9	-58.2	166.6	0	0	0	106.8	F550 I558 I569 I723 F732 M756	F550-I730 WeakPolarHBondContact CA-O 3.29Å; F550-I730 HydrophobicContact CB-CB 4.4Å; F550-I730 VanDerWaalsContact CB-O 3.23Å; F550-I730 WeakPolarHBondContact CB-O 3.41Å; F550-I730 HydrophobicContact CD1-CB 4.42Å; F550-I730 HydrophobicContact CD1-CD1 4.45Å; F550-I730 PolarHBondContact N-O 3.12Å; F550-I730 PolarHBondContact O-N 3.26Å; I558-I730 HydrophobicContact CD1-CD1 4.12Å; I569-I730 HydrophobicContact CD1-CD1 4.04Å; I569-I730 HydrophobicContact CD1-CG2 4.09Å; I569-I730 HydrophobicContact CG1-CD1 4.39Å; I723-I730 WeakPolarHBondContact O-CA 3.45Å; I723-I730 WeakPolarHBondContact O-CG2 3.5Å; I730-F732 HydrophobicContact CB-CE2 4.15Å; I730-F732 HydrophobicContact CG2-CD2 4.08Å; I730-F732 HydrophobicContact CG2-CE1 4.29Å; I730-F732 HydrophobicContact CG2-CE2 3.43Å; I730-F732 VanDerWaalsContact CG2-CE2 3.43Å; I730-F732 HydrophobicContact CG2-CZ 3.56Å; I730-M756 HydrophobicContact CD1-CE 3.72Å
731	N	95.5	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.7	172.4	-66.4	-71.6	0	0	0	109.7	I548 P549 S706 Y722 I723 L725	I548-N731 WeakPolarHBondContact O-CA 3.2Å; P549-N731 WeakPolarHBondContact CA-OD1 3.43Å; P549-N731 WeakPolarHBondContact CB-OD1 3.37Å; S706-N731 VanDerWaalsContact O-CB 3.26Å; S706-N731 WeakPolarHBondContact O-CB 3.5Å; Y722-N731 WeakPolarHBondContact CA-O 3.48Å; Y722-N731 WeakPolarHBondContact CB-O 3.37Å; I723-N731 HydrophobicContact CD1-CB 4.04Å; I723-N731 HydrophobicContact CG1-CB 3.68Å; I723-N731 PolarHBondContact N-O 3.05Å; I723-N731 PolarHBondContact O-N 3.01Å; L725-N731 WeakPolarHBondContact CD1-ND2 3.48Å
732	F	97.9	Very high	95	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.3	174.1	-64.5	-87.2	0	0	0	110.4	I547 I548 F550 I569 V720 S721 Y722 I730 I734 I752	I547-F732 WeakPolarHBondContact CA-O 3.37Å; I548-F732 HydrophobicContact CB-CB 4.27Å; I548-F732 PolarHBondContact N-O 3.2Å; I548-F732 PolarHBondContact O-N 3.39Å; F550-F732 HydrophobicContact CB-CD2 4.14Å; F550-F732 HydrophobicContact CB-CE2 4Å; F550-F732 HydrophobicContact CG-CE2 4.39Å; I569-F732 HydrophobicContact CG1-CZ 4.49Å; I569-F732 HydrophobicContact CG2-CE1 3.66Å; I569-F732 HydrophobicContact CG2-CZ 3.99Å; V720-F732 HydrophobicContact CG1-CD1 4.17Å; S721-F732 CarbonylContact O-C 3.56Å; S721-F732 WeakPolarHBondContact O-CA 3.36Å; Y722-F732 HydrophobicContact CD1-CE1 4.47Å; Y722-F732 HydrophobicContact CG-CD1 4.44Å; Y722-F732 HydrophobicContact CG-CE1 4.21Å; I730-F732 HydrophobicContact CB-CE2 4.15Å; I730-F732 HydrophobicContact CG2-CD2 4.08Å; I730-F732 HydrophobicContact CG2-CE1 4.29Å; I730-F732 HydrophobicContact CG2-CE2 3.43Å; I730-F732 VanDerWaalsContact CG2-CE2 3.43Å; I730-F732 HydrophobicContact CG2-CZ 3.56Å; F732-I734 HydrophobicContact CB-CG1 4.42Å; F732-I752 HydrophobicContact CD1-CG2 4.49Å; F732-I752 HydrophobicContact CE1-CG2 4.24Å; F732-I752 HydrophobicContact CE2-CG2 4.37Å; F732-I752 HydrophobicContact CZ-CG2 4.17Å
733	H	98.3	Very high	95	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.023	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.8	168.5	-68.9	-117.6	0	0	0	107.6	Y256 I547 S706 G708 V720 S721	Y256-H733 AromaticContact CE2-CE1 3.85Å; Y256-H733 AromaticContact CE2-ND1 3.54Å; Y256-H733 AromaticContact CZ-ND1 3.58Å; Y256-H733 PolarHBondContact OH-ND1 3.11Å; I547-H733 HydrophobicContact CD1-CB 3.82Å; I547-H733 VanDerWaalsContact CD1-ND1 3.32Å; I547-H733 WeakPolarHBondContact CD1-ND1 3.41Å; S706-H733 PolarHBondContact O-NE2 3.37Å; G708-H733 PolarHBondContact N-NE2 2.85Å; V720-H733 CarbonylContact C-O 3.01Å; V720-H733 WeakPolarHBondContact CA-O 3.44Å; S721-H733 PolarHBondContact N-O 2.91Å; S721-H733 PolarHBondContact O-N 2.66Å
734	I	98.6	Very high	95.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.4	-175.9	-55	161.6	0	0	0	108.1	C545 H546 I548 Y718 G719 V720 F732 F748 G749 I752	C545-I734 CarbonylContact C-O 3.48Å; C545-I734 VanDerWaalsContact CA-O 3.28Å; C545-I734 WeakPolarHBondContact CA-O 3.37Å; H546-I734 HydrophobicContact CB-CB 4.48Å; H546-I734 PolarHBondContact N-O 3.06Å; H546-I734 WeakPolarHBondContact O-CB 3.37Å; H546-I734 PolarHBondContact O-N 3.15Å; I548-I734 HydrophobicContact CD1-CD1 3.72Å; I548-I734 HydrophobicContact CG1-CD1 4.36Å; Y718-I734 HydrophobicContact CD1-CG2 4.34Å; G719-I734 CarbonylContact O-C 3.55Å; G719-I734 WeakPolarHBondContact O-CA 3.31Å; V720-I734 HydrophobicContact CG1-CG1 4.43Å; V720-I734 HydrophobicContact CG2-CG1 4.49Å; V720-I734 HydrophobicContact CG2-CG2 4.46Å; F732-I734 HydrophobicContact CB-CG1 4.42Å; I734-F748 HydrophobicContact CG2-CD1 3.92Å; I734-G749 VanDerWaalsContact CD1-CA 3.42Å; I734-I752 HydrophobicContact CD1-CD1 3.73Å; I734-I752 HydrophobicContact CG1-CD1 4.21Å
735	S	98.6	Very high	95.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148	174.8	63.7	0	0	0	0	111.7	D544 F710 G711 P712 Y718 G719	D544-S735 VanDerWaalsContact O-CA 3.26Å; D544-S735 WeakPolarHBondContact O-CA 3.41Å; D544-S735 WeakPolarHBondContact O-CB 3.3Å; F710-S735 WeakPolarHBondContact O-CB 3.48Å; F710-S735 PolarHBondContact O-OG 3.45Å; G711-S735 VanDerWaalsContact C-OG 3.31Å; G711-S735 WeakPolarHBondContact CA-OG 3.14Å; P712-S735 WeakPolarHBondContact CD-OG 3.4Å; Y718-S735 CarbonylContact C-O 3.57Å; Y718-S735 VanDerWaalsContact CA-O 3.29Å; Y718-S735 WeakPolarHBondContact CA-O 3.16Å; G719-S735 PolarHBondContact N-O 3.48Å; G719-S735 PolarHBondContact O-N 3.31Å
736	S	98.4	Very high	95.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-174.4	175.1	62.4	0	0	0	0	110	D544 S745	D544-S736 PolarHBondContact N-O 2.91Å; D544-S736 PolarHBondContact O-N 2.84Å; S736-S745 PolarHBondContact N-OG 2.91Å; S736-S745 VanDerWaalsContact N-OG 3.13Å; S736-S745 PolarHBondContact OG-N 2.91Å; S736-S745 PolarHBondContact OG-OG 3.13Å
737	K	97.8	Very high	96.2	Very high	17 Å²	17	46.8 Å²	46.8	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.9	173.6	-61.9	-163.8	176.4	-174.7	0	111.8	D542 P712 D715 S739 S740 T743	D542-K737 CarbonylContact O-C 3.5Å; D542-K737 WeakPolarHBondContact O-CA 3.19Å; D542-K737 WeakPolarHBondContact OD2-CD 3.41Å; P712-K737 HydrophobicContact CG-CG 3.82Å; D715-K737 HydrophobicContact CB-CD 4.32Å; D715-K737 VanDerWaalsContact OD1-CE 3.29Å; D715-K737 WeakPolarHBondContact OD1-CE 3.21Å; D715-K737 IonicContact OD1-NZ 2.63Å; D715-K737 PolarHBondContact OD1-NZ 3.28Å; K737-S739 PolarHBondContact O-N 3.38Å; K737-S740 PolarHBondContact O-N 3.07Å; K737-T743 PolarHBondContact O-OG1 2.81Å; K737-T743 VanDerWaalsContact O-OG1 3.07Å
738	Y	97.8	Very high	96.7	Very high	124 Å²	124	42.7 Å²	42.7	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.9	175.1	-70.5	-59.1	0	0	0	112.1	K441 D541 D542 V543 D544 S740	K441-Y738 PolarHBondContact NZ-OH 2.94Å; D541-Y738 WeakPolarHBondContact O-CD2 3.39Å; D542-Y738 PolarHBondContact O-N 3.38Å; D542-Y738 PolarHBondContact OD1-N 2.86Å; V543-Y738 VanDerWaalsContact O-CE2 3.29Å; V543-Y738 WeakPolarHBondContact O-CE2 3.47Å; D544-Y738 HydrophobicContact CB-CD1 4.01Å; D544-Y738 HydrophobicContact CB-CD2 4.44Å; D544-Y738 HydrophobicContact CB-CE1 3.57Å; D544-Y738 HydrophobicContact CB-CE2 4.08Å; D544-Y738 HydrophobicContact CB-CG 4.4Å; D544-Y738 VanDerWaalsContact CG-CE1 3.43Å; D544-Y738 WeakPolarHBondContact OD1-CE1 3.3Å; D544-Y738 VanDerWaalsContact OD1-CZ 3.28Å; D544-Y738 PolarHBondContact OD1-OH 3.32Å; Y738-S740 PolarHBondContact O-N 3.35Å
739	S	97.1	Very high	97	Very high	76 Å²	76	37.5 Å²	37.5	53%	0.531	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.4	178	57.2	0	0	0	0	113.8	D542 K737 P741	D542-S739 VanDerWaalsContact CG-OG 3.28Å; D542-S739 WeakPolarHBondContact OD1-CA 3.29Å; D542-S739 WeakPolarHBondContact OD1-CB 3.5Å; D542-S739 PolarHBondContact OD1-N 2.89Å; D542-S739 PolarHBondContact OD1-OG 3.05Å; D542-S739 VanDerWaalsContact OD1-OG 3.1Å; D542-S739 WeakPolarHBondContact OD2-CB 3.43Å; D542-S739 PolarHBondContact OD2-OG 3.19Å; K737-S739 PolarHBondContact O-N 3.38Å; S739-P741 WeakPolarHBondContact O-CD 3.3Å
740	S	96.6	Very high	97.3	Very high	12 Å²	12	40.6 Å²	40.6	8%	0.084	20%	0.201	C	C	.	.			trans	-90.8	115.7	175.5	-178.5	0	0	0	0	111.3	D715 K737 Y738 E742 T743	D715-S740 VanDerWaalsContact O-CB 3.25Å; D715-S740 WeakPolarHBondContact O-CB 3.46Å; K737-S740 PolarHBondContact O-N 3.07Å; Y738-S740 PolarHBondContact O-N 3.35Å; S740-E742 PolarHBondContact O-N 3.25Å; S740-E742 VanDerWaalsContact O-N 3.15Å; S740-E742 PolarHBondContact OG-N 3.42Å; S740-T743 WeakPolarHBondContact CB-OG1 3.45Å; S740-T743 PolarHBondContact O-N 2.95Å; S740-T743 PolarHBondContact O-OG1 3.46Å
741	P	94.4	Very high	97.4	Very high	124 Å²	124	42.3 Å²	42.3	81%	0.805	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.9	178.2	30.7	-36.3	0	0	0	112.4	S739	S739-P741 WeakPolarHBondContact O-CD 3.3Å
742	E	94.3	Very high	97.5	Very high	79 Å²	79	42.4 Å²	42.4	37%	0.369	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.6	179.9	-55.4	-168.2	-179.5	0	0	112.9	K581 K583 S740 R747	K581-E742 HydrophobicContact CD-CB 4.33Å; K581-E742 WeakPolarHBondContact CE-O 3.25Å; K581-E742 PolarHBondContact NZ-O 3.25Å; K581-E742 IonicContact NZ-OE2 3.58Å; K581-E742 PolarHBondContact NZ-OE2 3.29Å; K583-E742 IonicContact NZ-OE1 3.14Å; K583-E742 IonicContact NZ-OE2 3.83Å; K583-E742 PolarHBondContact NZ-OE2 3Å; S740-E742 PolarHBondContact O-N 3.25Å; S740-E742 VanDerWaalsContact O-N 3.15Å; S740-E742 PolarHBondContact OG-N 3.42Å; E742-R747 PolarHBondContact O-NH2 2.57Å
743	T	96.9	Very high	97.6	Very high	12 Å²	12	47 Å²	47	7%	0.074	23%	0.228	C	C	.	.			trans	-117.8	141.9	-174.7	60.5	0	0	0	0	113.1	D716 Y718 K737 S740	D716-T743 VanDerWaalsContact O-CG2 3.3Å; D716-T743 WeakPolarHBondContact O-CG2 3.49Å; Y718-T743 HydrophobicContact CD2-CG2 4.49Å; Y718-T743 HydrophobicContact CE1-CG2 4.22Å; Y718-T743 HydrophobicContact CE2-CG2 4.05Å; Y718-T743 WeakPolarHBondContact OH-CA 3.37Å; K737-T743 PolarHBondContact O-OG1 2.81Å; K737-T743 VanDerWaalsContact O-OG1 3.07Å; S740-T743 WeakPolarHBondContact CB-OG1 3.45Å; S740-T743 PolarHBondContact O-N 2.95Å; S740-T743 PolarHBondContact O-OG1 3.46Å
744	D	97.9	Very high	97.6	Very high	60 Å²	60	51.2 Å²	51.2	32%	0.321	25%	0.248	S	C	.	.			trans	-152.3	116.2	174	179.1	-49.4	0	0	0	108.1	Y718 R746 R747 F748	Y718-D744 PolarHBondContact OH-N 3.32Å; Y718-D744 VanDerWaalsContact OH-N 3.07Å; D744-R746 VanDerWaalsContact C-N 3.29Å; D744-R746 PolarHBondContact O-N 3.29Å; D744-R746 WeakPolarHBondContact OD1-CA 3.01Å; D744-R746 WeakPolarHBondContact OD1-CB 3.15Å; D744-R746 PolarHBondContact OD1-N 2.9Å; D744-R747 HydrophobicContact CB-CB 3.84Å; D744-R747 PolarHBondContact OD1-N 3.21Å; D744-F748 VanDerWaalsContact O-CB 3.3Å; D744-F748 WeakPolarHBondContact O-CB 3.17Å; D744-F748 PolarHBondContact O-N 3.42Å
745	S	98.1	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-32.7	-172.5	-67.6	0	0	0	0	112.1	D544 S736 G749	D544-S745 WeakPolarHBondContact OD2-CB 3.45Å; D544-S745 PolarHBondContact OD2-N 2.86Å; D544-S745 PolarHBondContact OD2-OG 2.77Å; S736-S745 PolarHBondContact N-OG 2.91Å; S736-S745 VanDerWaalsContact N-OG 3.13Å; S736-S745 PolarHBondContact OG-N 2.91Å; S736-S745 PolarHBondContact OG-OG 3.13Å; S745-G749 PolarHBondContact O-N 3.26Å
746	R	97.2	Very high	97.5	Very high	145 Å²	145	51 Å²	51	55%	0.547	25%	0.247	S	C	.	.	H	α-helix	trans	-73.6	-49.9	179.5	-174.4	175.5	-177.9	172.4	2.7	111.3	D744 F748 G749 D750	D744-R746 VanDerWaalsContact C-N 3.29Å; D744-R746 PolarHBondContact O-N 3.29Å; D744-R746 WeakPolarHBondContact OD1-CA 3.01Å; D744-R746 WeakPolarHBondContact OD1-CB 3.15Å; D744-R746 PolarHBondContact OD1-N 2.9Å; R746-F748 VanDerWaalsContact C-N 3.28Å; R746-F748 PolarHBondContact O-N 3.3Å; R746-G749 WeakPolarHBondContact O-CA 3.37Å; R746-G749 PolarHBondContact O-N 2.95Å; R746-D750 PolarHBondContact O-N 3.33Å
747	R	97.6	Very high	97.5	Very high	100 Å²	100	53.8 Å²	53.8	38%	0.377	26%	0.261	S	S	.	.	H	α-helix	trans	-56.6	-45.5	175.8	-172.3	-179.4	73.6	-147.4	-2	110.8	N580 E742 D744 G749 D750 D751	N580-R747 PolarHBondContact ND2-NE 3.08Å; N580-R747 PolarHBondContact OD1-NH2 2.96Å; E742-R747 PolarHBondContact O-NH2 2.57Å; D744-R747 HydrophobicContact CB-CB 3.84Å; D744-R747 PolarHBondContact OD1-N 3.21Å; R747-G749 VanDerWaalsContact C-N 3.3Å; R747-G749 PolarHBondContact O-N 3.04Å; R747-D750 PolarHBondContact O-N 3.24Å; R747-D751 PolarHBondContact O-N 3.2Å
748	F	98.4	Very high	97.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-35.4	177.3	-172.8	-134	0	0	0	112.2	A576 H577 N580 L682 Y718 V720 I734 D744 R746 D751 I752	A576-F748 HydrophobicContact CB-CD2 4.3Å; A576-F748 HydrophobicContact CB-CE2 3.75Å; H577-F748 HydrophobicContact CB-CE2 4.01Å; H577-F748 HydrophobicContact CB-CZ 4.3Å; N580-F748 HydrophobicContact CB-CD2 4.29Å; L682-F748 HydrophobicContact CD1-CE1 4.01Å; L682-F748 HydrophobicContact CD1-CZ 4.08Å; Y718-F748 HydrophobicContact CD1-CB 4.29Å; Y718-F748 AromaticContact CD1-CD1 3.56Å; Y718-F748 HydrophobicContact CD1-CD1 3.56Å; Y718-F748 HydrophobicContact CD1-CE1 4.22Å; Y718-F748 HydrophobicContact CD1-CG 4.17Å; Y718-F748 AromaticContact CD2-CD1 3.89Å; Y718-F748 HydrophobicContact CD2-CD1 3.89Å; Y718-F748 AromaticContact CD2-CE1 3.94Å; Y718-F748 HydrophobicContact CD2-CE1 3.94Å; Y718-F748 HydrophobicContact CD2-CG 4.31Å; Y718-F748 HydrophobicContact CD2-CZ 4.42Å; Y718-F748 HydrophobicContact CE1-CB 3.67Å; Y718-F748 AromaticContact CE1-CD1 3.82Å; Y718-F748 HydrophobicContact CE1-CD1 3.82Å; Y718-F748 AromaticContact CE1-CG 3.94Å; Y718-F748 HydrophobicContact CE1-CG 3.94Å; Y718-F748 HydrophobicContact CE2-CB 4.4Å; Y718-F748 HydrophobicContact CE2-CD1 4.09Å; Y718-F748 HydrophobicContact CE2-CD2 4.38Å; Y718-F748 HydrophobicContact CE2-CE1 4.46Å; Y718-F748 HydrophobicContact CE2-CG 4.05Å; Y718-F748 AromaticContact CG-CD1 3.6Å; Y718-F748 HydrophobicContact CG-CD1 3.6Å; Y718-F748 AromaticContact CG-CE1 3.78Å; Y718-F748 HydrophobicContact CG-CE1 3.78Å; Y718-F748 HydrophobicContact CG-CG 4.35Å; Y718-F748 AromaticContact CZ-CG 3.86Å; V720-F748 HydrophobicContact CG2-CD1 4.49Å; V720-F748 HydrophobicContact CG2-CE1 3.76Å; I734-F748 HydrophobicContact CG2-CD1 3.92Å; D744-F748 VanDerWaalsContact O-CB 3.3Å; D744-F748 WeakPolarHBondContact O-CB 3.17Å; D744-F748 PolarHBondContact O-N 3.42Å; R746-F748 VanDerWaalsContact C-N 3.28Å; R746-F748 PolarHBondContact O-N 3.3Å; F748-D751 WeakPolarHBondContact O-CB 3.37Å; F748-D751 PolarHBondContact O-N 3.09Å; F748-I752 HydrophobicContact CD1-CD1 3.99Å; F748-I752 HydrophobicContact CE1-CD1 3.84Å; F748-I752 HydrophobicContact CE2-CD1 4.44Å; F748-I752 HydrophobicContact CE2-CG1 4.27Å; F748-I752 HydrophobicContact CG-CD1 4.39Å; F748-I752 HydrophobicContact CZ-CD1 4.07Å; F748-I752 HydrophobicContact CZ-CG1 4.29Å; F748-I752 VanDerWaalsContact O-CG1 3.25Å; F748-I752 WeakPolarHBondContact O-CG1 3.2Å; F748-I752 PolarHBondContact O-N 2.87Å
749	G	97.9	Very high	97.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-46.5	170.9	0	0	0	0	0	114.5	I548 I734 S745 R746 R747 D751 I752 R753	I548-G749 VanDerWaalsContact CD1-CA 3.41Å; I734-G749 VanDerWaalsContact CD1-CA 3.42Å; S745-G749 PolarHBondContact O-N 3.26Å; R746-G749 WeakPolarHBondContact O-CA 3.37Å; R746-G749 PolarHBondContact O-N 2.95Å; R747-G749 VanDerWaalsContact C-N 3.3Å; R747-G749 PolarHBondContact O-N 3.04Å; G749-D751 VanDerWaalsContact C-N 3.33Å; G749-D751 PolarHBondContact O-N 3.45Å; G749-I752 WeakPolarHBondContact O-CB 3.36Å; G749-I752 PolarHBondContact O-N 3.34Å; G749-R753 PolarHBondContact O-N 3.43Å
750	D	97.8	Very high	97.5	Very high	93 Å²	93	47 Å²	47	50%	0.497	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-42.3	175.1	-67.6	-30.9	0	0	0	111	R746 R747 I752 R753 Q754	R746-D750 PolarHBondContact O-N 3.33Å; R747-D750 PolarHBondContact O-N 3.24Å; D750-I752 VanDerWaalsContact C-N 3.33Å; D750-I752 PolarHBondContact O-N 3.38Å; D750-R753 PolarHBondContact O-N 2.82Å; D750-Q754 WeakPolarHBondContact O-CB 2.93Å; D750-Q754 PolarHBondContact O-N 2.96Å
751	D	98.3	Very high	97.4	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.193	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-38.1	174.6	-73.3	-40.6	0	0	0	112.3	A576 N580 R747 F748 G749 S755	A576-D751 HydrophobicContact CB-CB 3.88Å; N580-D751 WeakPolarHBondContact CB-OD2 3.27Å; N580-D751 PolarHBondContact ND2-OD2 3.09Å; R747-D751 PolarHBondContact O-N 3.2Å; F748-D751 WeakPolarHBondContact O-CB 3.37Å; F748-D751 PolarHBondContact O-N 3.09Å; G749-D751 VanDerWaalsContact C-N 3.33Å; G749-D751 PolarHBondContact O-N 3.45Å; D751-S755 WeakPolarHBondContact O-CB 3.49Å; D751-S755 PolarHBondContact O-N 3.33Å; D751-S755 PolarHBondContact O-OG 3.32Å
752	I	98.6	Very high	97.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-49.8	174.9	-69.9	166.4	0	0	0	109.9	L573 A576 F732 I734 F748 G749 D750 Q754 S755 M756	L573-I752 HydrophobicContact CD2-CD1 3.53Å; L573-I752 HydrophobicContact CD2-CG1 3.69Å; L573-I752 HydrophobicContact CD2-CG2 4.13Å; A576-I752 HydrophobicContact CB-CB 4.39Å; A576-I752 HydrophobicContact CB-CG1 3.73Å; F732-I752 HydrophobicContact CD1-CG2 4.49Å; F732-I752 HydrophobicContact CE1-CG2 4.24Å; F732-I752 HydrophobicContact CE2-CG2 4.37Å; F732-I752 HydrophobicContact CZ-CG2 4.17Å; I734-I752 HydrophobicContact CD1-CD1 3.73Å; I734-I752 HydrophobicContact CG1-CD1 4.21Å; F748-I752 HydrophobicContact CD1-CD1 3.99Å; F748-I752 HydrophobicContact CE1-CD1 3.84Å; F748-I752 HydrophobicContact CE2-CD1 4.44Å; F748-I752 HydrophobicContact CE2-CG1 4.27Å; F748-I752 HydrophobicContact CG-CD1 4.39Å; F748-I752 HydrophobicContact CZ-CD1 4.07Å; F748-I752 HydrophobicContact CZ-CG1 4.29Å; F748-I752 VanDerWaalsContact O-CG1 3.25Å; F748-I752 WeakPolarHBondContact O-CG1 3.2Å; F748-I752 PolarHBondContact O-N 2.87Å; G749-I752 WeakPolarHBondContact O-CB 3.36Å; G749-I752 PolarHBondContact O-N 3.34Å; D750-I752 VanDerWaalsContact C-N 3.33Å; D750-I752 PolarHBondContact O-N 3.38Å; I752-Q754 VanDerWaalsContact C-N 3.34Å; I752-Q754 PolarHBondContact O-N 3.44Å; I752-S755 PolarHBondContact O-N 3.49Å; I752-M756 HydrophobicContact CG2-CG 4.36Å; I752-M756 VanDerWaalsContact O-CG 3.27Å; I752-M756 WeakPolarHBondContact O-CG 3.49Å; I752-M756 PolarHBondContact O-N 3.33Å
753	R	98.2	Very high	97.5	Very high	99 Å²	99	41.4 Å²	41.4	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-56.6	-49.6	178.6	-170.5	-179.2	-167.4	156.5	-0	110.9	F550 D552 G749 D750 S755 M756 L757	F550-R753 HydrophobicContact CD2-CG 3.96Å; F550-R753 HydrophobicContact CE2-CB 4.49Å; F550-R753 HydrophobicContact CE2-CG 3.75Å; D552-R753 VanDerWaalsContact CG-NH2 3.3Å; D552-R753 IonicContact OD1-CZ 3.89Å; D552-R753 IonicContact OD1-NE 3.96Å; D552-R753 IonicContact OD1-NH2 2.94Å; D552-R753 PolarHBondContact OD1-NH2 2.89Å; D552-R753 IonicContact OD2-CZ 3.25Å; D552-R753 VanDerWaalsContact OD2-CZ 3.25Å; D552-R753 IonicContact OD2-NE 2.87Å; D552-R753 PolarHBondContact OD2-NE 3.47Å; D552-R753 IonicContact OD2-NH2 2.9Å; D552-R753 PolarHBondContact OD2-NH2 3.33Å; G749-R753 PolarHBondContact O-N 3.43Å; D750-R753 PolarHBondContact O-N 2.82Å; R753-S755 VanDerWaalsContact C-N 3.35Å; R753-S755 PolarHBondContact O-N 3.32Å; R753-M756 PolarHBondContact O-N 3.24Å; R753-L757 HydrophobicContact CG-CD1 4.35Å; R753-L757 WeakPolarHBondContact O-CG 3.42Å; R753-L757 PolarHBondContact O-N 3.07Å; R753-L757 VanDerWaalsContact O-N 3.1Å
754	Q	98.3	Very high	97	Very high	93 Å²	93	46.9 Å²	46.9	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-41.4	179.3	-170.8	60	50.9	0	0	111.7	D750 I752 M756 L757 D758	D750-Q754 WeakPolarHBondContact O-CB 2.93Å; D750-Q754 PolarHBondContact O-N 2.96Å; I752-Q754 VanDerWaalsContact C-N 3.34Å; I752-Q754 PolarHBondContact O-N 3.44Å; Q754-M756 PolarHBondContact O-N 3.37Å; Q754-L757 PolarHBondContact O-N 3.24Å; Q754-D758 PolarHBondContact NE2-OD1 2.91Å; Q754-D758 WeakPolarHBondContact O-CB 3.47Å; Q754-D758 PolarHBondContact O-N 3.24Å
755	S	98.4	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-40.4	178.2	-60.6	0	0	0	0	112.2	A572 A576 R579 D751 I752 R753 D758 I759	A572-S755 WeakPolarHBondContact O-CB 3.33Å; A576-S755 WeakPolarHBondContact CA-OG 3.44Å; A576-S755 PolarHBondContact N-OG 2.85Å; R579-S755 PolarHBondContact NH1-OG 3.05Å; D751-S755 WeakPolarHBondContact O-CB 3.49Å; D751-S755 PolarHBondContact O-N 3.33Å; D751-S755 PolarHBondContact O-OG 3.32Å; I752-S755 PolarHBondContact O-N 3.49Å; R753-S755 VanDerWaalsContact C-N 3.35Å; R753-S755 PolarHBondContact O-N 3.32Å; S755-D758 PolarHBondContact O-N 3.05Å; S755-I759 WeakPolarHBondContact O-CB 3.19Å; S755-I759 WeakPolarHBondContact O-CD1 3.34Å; S755-I759 WeakPolarHBondContact O-CG1 3.17Å; S755-I759 PolarHBondContact O-N 3.02Å
756	M	98.3	Very high	94.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-46.7	174.1	-71.5	-72.7	-72.7	0	0	111.5	F550 F553 F568 I569 A572 I730 I752 R753 Q754 L760	F550-M756 HydrophobicContact CE1-CE 4.29Å; F550-M756 HydrophobicContact CE2-CB 3.98Å; F550-M756 HydrophobicContact CZ-CB 3.8Å; F553-M756 HydrophobicContact CE1-CB 4.35Å; F553-M756 HydrophobicContact CE2-CE 3.8Å; F553-M756 HydrophobicContact CZ-CB 3.94Å; F553-M756 HydrophobicContact CZ-CE 3.86Å; F553-M756 WeakPolarHBondContact CZ-O 3.29Å; F568-M756 HydrophobicContact CD1-CE 3.97Å; F568-M756 HydrophobicContact CD1-SD 3.73Å; F568-M756 HydrophobicContact CE1-CE 3.86Å; F568-M756 HydrophobicContact CE1-SD 3.64Å; I569-M756 HydrophobicContact CG1-CE 3.98Å; I569-M756 HydrophobicContact CG1-SD 4.2Å; A572-M756 HydrophobicContact CB-CG 3.94Å; A572-M756 HydrophobicContact CB-SD 3.46Å; A572-M756 WeakPolarHBondContact CB-SD 3.18Å; I730-M756 HydrophobicContact CD1-CE 3.72Å; I752-M756 HydrophobicContact CG2-CG 4.36Å; I752-M756 VanDerWaalsContact O-CG 3.27Å; I752-M756 WeakPolarHBondContact O-CG 3.49Å; I752-M756 PolarHBondContact O-N 3.33Å; R753-M756 PolarHBondContact O-N 3.24Å; Q754-M756 PolarHBondContact O-N 3.37Å; M756-L760 WeakPolarHBondContact O-CB 3.34Å; M756-L760 PolarHBondContact O-N 3.42Å; M756-L760 VanDerWaalsContact O-N 3.13Å
757	L	97.9	Very high	91.9	Very high	58 Å²	58	55 Å²	55	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-65.4	-44.3	178.6	-68.7	170.7	0	0	0	112.4	D552 F553 R753 Q754 I759 L760 G761	D552-L757 HydrophobicContact CB-CD2 3.97Å; F553-L757 HydrophobicContact CD1-CD2 4.46Å; F553-L757 HydrophobicContact CE1-CD2 4.17Å; R753-L757 HydrophobicContact CG-CD1 4.35Å; R753-L757 WeakPolarHBondContact O-CG 3.42Å; R753-L757 PolarHBondContact O-N 3.07Å; R753-L757 VanDerWaalsContact O-N 3.1Å; Q754-L757 PolarHBondContact O-N 3.24Å; L757-I759 PolarHBondContact O-N 2.87Å; L757-L760 WeakPolarHBondContact O-CB 3.49Å; L757-L760 PolarHBondContact O-N 2.97Å; L757-G761 PolarHBondContact O-N 3.03Å
758	D	97.3	Very high	89.1	Confident	47 Å²	47	59 Å²	59	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-42.2	-179.3	-69	-22.4	0	0	0	112.1	R579 M618 Q754 S755 L760 G761 L762	R579-D758 IonicContact CZ-OD2 3.15Å; R579-D758 IonicContact NH1-OD2 2.76Å; R579-D758 PolarHBondContact NH1-OD2 2.95Å; R579-D758 IonicContact NH2-OD2 2.67Å; R579-D758 PolarHBondContact NH2-OD2 2.94Å; M618-D758 HydrophobicContact CE-CB 3.8Å; Q754-D758 PolarHBondContact NE2-OD1 2.91Å; Q754-D758 WeakPolarHBondContact O-CB 3.47Å; Q754-D758 PolarHBondContact O-N 3.24Å; S755-D758 PolarHBondContact O-N 3.05Å; D758-L760 VanDerWaalsContact C-N 3.33Å; D758-G761 PolarHBondContact O-N 2.98Å; D758-L762 PolarHBondContact O-N 2.97Å
759	I	97.7	Very high	86.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-42.4	176.6	-65.9	170.4	0	0	0	109.9	F568 I571 A572 L575 F614 L631 S755 L757 G761 L762 F763	F568-I759 HydrophobicContact CD2-CG2 3.95Å; F568-I759 HydrophobicContact CE1-CB 4.31Å; F568-I759 HydrophobicContact CE1-CG2 4.17Å; F568-I759 HydrophobicContact CE2-CB 4.16Å; F568-I759 HydrophobicContact CE2-CG2 3.31Å; F568-I759 HydrophobicContact CZ-CB 3.74Å; F568-I759 HydrophobicContact CZ-CG2 3.43Å; F568-I759 VanDerWaalsContact CZ-CG2 3.43Å; I571-I759 HydrophobicContact CG2-CD1 4.26Å; A572-I759 HydrophobicContact CB-CD1 3.7Å; L575-I759 HydrophobicContact CD2-CD1 4.22Å; L575-I759 HydrophobicContact CD2-CG1 4.08Å; F614-I759 HydrophobicContact CE1-CD1 4.12Å; F614-I759 HydrophobicContact CE1-CG1 4.13Å; F614-I759 HydrophobicContact CZ-CD1 4.44Å; F614-I759 HydrophobicContact CZ-CG1 3.95Å; L631-I759 HydrophobicContact CD1-CG2 4Å; L631-I759 HydrophobicContact CD2-CG2 3.67Å; S755-I759 WeakPolarHBondContact O-CB 3.19Å; S755-I759 WeakPolarHBondContact O-CD1 3.34Å; S755-I759 WeakPolarHBondContact O-CG1 3.17Å; S755-I759 PolarHBondContact O-N 3.02Å; L757-I759 PolarHBondContact O-N 2.87Å; I759-G761 VanDerWaalsContact C-N 3.33Å; I759-G761 PolarHBondContact O-N 2.79Å; I759-L762 WeakPolarHBondContact O-CB 3.41Å; I759-L762 PolarHBondContact O-N 3.47Å; I759-F763 WeakPolarHBondContact O-CD2 3.49Å
760	L	96.8	Very high	83.2	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.141	37%	0.367	C	S	.	.	H	α-helix	trans	-62	-42.3	175.1	179.8	69.6	0	0	0	111.4	F553 L557 F568 M756 L757 D758 L762 F763 L765	F553-L760 HydrophobicContact CD1-CD2 3.48Å; F553-L760 VanDerWaalsContact CD1-CD2 3.48Å; F553-L760 HydrophobicContact CE1-CB 4.03Å; F553-L760 HydrophobicContact CE1-CD2 3.58Å; F553-L760 HydrophobicContact CE1-CG 4.37Å; F553-L760 HydrophobicContact CG-CD2 4.01Å; F553-L760 HydrophobicContact CZ-CB 4.09Å; F553-L760 HydrophobicContact CZ-CD2 4.22Å; L557-L760 HydrophobicContact CD2-CD1 3.7Å; L557-L760 HydrophobicContact CD2-CD2 3.51Å; L557-L760 HydrophobicContact CD2-CG 4.22Å; L557-L760 HydrophobicContact CG-CD1 3.84Å; F568-L760 HydrophobicContact CZ-CB 4.3Å; M756-L760 WeakPolarHBondContact O-CB 3.34Å; M756-L760 PolarHBondContact O-N 3.42Å; M756-L760 VanDerWaalsContact O-N 3.13Å; L757-L760 WeakPolarHBondContact O-CB 3.49Å; L757-L760 PolarHBondContact O-N 2.97Å; D758-L760 VanDerWaalsContact C-N 3.33Å; L760-L762 PolarHBondContact O-N 3.4Å; L760-L762 VanDerWaalsContact O-N 3.15Å; L760-F763 PolarHBondContact O-N 3.3Å; L760-L765 HydrophobicContact CD1-CD1 4.17Å
761	G	95.8	Very high	80	Confident	48 Å²	48	75.7 Å²	75.7	50%	0.495	40%	0.404	S	S	.	.	H	α-helix	trans	-57.5	-27.1	179.8	0	0	0	0	0	114.1	L757 D758 I759 F763 Q764	L757-G761 PolarHBondContact O-N 3.03Å; D758-G761 PolarHBondContact O-N 2.98Å; I759-G761 VanDerWaalsContact C-N 3.33Å; I759-G761 PolarHBondContact O-N 2.79Å; G761-F763 PolarHBondContact O-N 3.05Å; G761-Q764 PolarHBondContact O-N 3.29Å
762	L	95.4	Very high	79.1	Confident	13 Å²	13	77.7 Å²	77.7	7%	0.068	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.5	174.8	-63.7	177.2	0	0	0	113	F614 M618 R624 R627 L628 L631 D758 I759 L760	F614-L762 HydrophobicContact CE2-CD1 3.89Å; F614-L762 HydrophobicContact CZ-CD1 4.11Å; M618-L762 HydrophobicContact CE-CD1 4.44Å; M618-L762 HydrophobicContact SD-CD1 3.84Å; M618-L762 HydrophobicContact SD-CD2 4.07Å; M618-L762 HydrophobicContact SD-CG 4.34Å; R624-L762 HydrophobicContact CG-CD2 4.44Å; R627-L762 HydrophobicContact CB-CD1 4.09Å; R627-L762 HydrophobicContact CB-CD2 3.96Å; L628-L762 WeakPolarHBondContact CD1-O 3.38Å; L628-L762 HydrophobicContact CD2-CB 3.63Å; L628-L762 HydrophobicContact CG-CB 4.01Å; L631-L762 HydrophobicContact CD2-CD1 4.27Å; D758-L762 PolarHBondContact O-N 2.97Å; I759-L762 WeakPolarHBondContact O-CB 3.41Å; I759-L762 PolarHBondContact O-N 3.47Å; L760-L762 PolarHBondContact O-N 3.4Å; L760-L762 VanDerWaalsContact O-N 3.15Å
763	F	93.9	Very high	78.1	Confident	37 Å²	37	81.7 Å²	81.7	16%	0.162	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-13.8	-174.5	-68.2	-88.4	0	0	0	113.9	C561 F568 L628 L631 I759 L760 G761 L765	C561-F763 HydrophobicContact CB-CD1 3.75Å; C561-F763 HydrophobicContact CB-CD2 4.01Å; C561-F763 HydrophobicContact CB-CE1 3.6Å; C561-F763 HydrophobicContact CB-CE2 3.88Å; C561-F763 HydrophobicContact CB-CG 3.95Å; C561-F763 HydrophobicContact CB-CZ 3.67Å; C561-F763 WeakPolarHBondContact O-CE1 3.47Å; F568-F763 HydrophobicContact CE2-CE2 4.42Å; L628-F763 HydrophobicContact CD2-CD1 3.86Å; L628-F763 HydrophobicContact CD2-CD2 4.23Å; L628-F763 HydrophobicContact CD2-CE1 3.77Å; L628-F763 HydrophobicContact CD2-CE2 4.15Å; L628-F763 HydrophobicContact CD2-CG 4.09Å; L628-F763 HydrophobicContact CD2-CZ 3.93Å; L631-F763 HydrophobicContact CD2-CE2 3.47Å; L631-F763 VanDerWaalsContact CD2-CE2 3.47Å; L631-F763 HydrophobicContact CD2-CZ 3.51Å; I759-F763 WeakPolarHBondContact O-CD2 3.49Å; L760-F763 PolarHBondContact O-N 3.3Å; G761-F763 PolarHBondContact O-N 3.05Å; F763-L765 HydrophobicContact CB-CD2 4.21Å; F763-L765 HydrophobicContact CB-CG 4.03Å; F763-L765 PolarHBondContact O-N 3.37Å; F763-L765 VanDerWaalsContact O-N 3.12Å
764	Q	87.6	Confident	77	Confident	128 Å²	128	80.8 Å²	80.8	60%	0.598	44%	0.439	S	S	*	.			trans	41.6	48.8	-178.4	-63.7	-169.9	-16	0	0	113.1	G761 E766	G761-Q764 PolarHBondContact O-N 3.29Å; Q764-E766 PolarHBondContact O-N 3.08Å
765	L	81.4	Confident	75.7	Confident	70 Å²	70	80.1 Å²	80.1	37%	0.366	44%	0.44	S	S	.	.			trans	-62.4	111.6	176.2	-60.1	177.3	0	0	0	107.4	L557 L760 F763 N767	L557-L765 HydrophobicContact CD1-CD1 3.47Å; L557-L765 VanDerWaalsContact CD1-CD1 3.47Å; L557-L765 HydrophobicContact CG-CD1 3.87Å; L760-L765 HydrophobicContact CD1-CD1 4.17Å; F763-L765 HydrophobicContact CB-CD2 4.21Å; F763-L765 HydrophobicContact CB-CG 4.03Å; F763-L765 PolarHBondContact O-N 3.37Å; F763-L765 VanDerWaalsContact O-N 3.12Å; L765-N767 PolarHBondContact O-N 3.1Å
766	E	59.1	Low	74.3	Confident	149 Å²	149	85.1 Å²	85.1	70%	0.696	47%	0.467	S	S	*	.			trans	-51.5	131.4	178.4	-70.4	177.7	163.8	0	0	109.8	Q764 K768	Q764-E766 PolarHBondContact O-N 3.08Å; E766-K768 HydrophobicContact CB-CG 4.36Å; E766-K768 PolarHBondContact O-N 2.98Å; E766-K768 VanDerWaalsContact OE2-CE 3.25Å; E766-K768 WeakPolarHBondContact OE2-CE 3.41Å
767	N	46.1	Very low	72.7	Confident	157 Å²	157	90.7 Å²	90.7	84%	0.84	50%	0.498	S	S	*	.			trans	-64.1	78.2	165.4	-86	-15.4	0	0	0	108.9	L765 A769	L765-N767 PolarHBondContact O-N 3.1Å; N767-A769 PolarHBondContact O-N 3.39Å
768	K	37.9	Very low	70.9	Confident	183 Å²	183	93.1 Å²	93.1	80%	0.796	51%	0.512	S	S	*	.			trans	-77.6	60.1	165.5	-74.3	-169.9	178	-179.2	0	109.9	E766	E766-K768 HydrophobicContact CB-CG 4.36Å; E766-K768 PolarHBondContact O-N 2.98Å; E766-K768 VanDerWaalsContact OE2-CE 3.25Å; E766-K768 WeakPolarHBondContact OE2-CE 3.41Å
769	A	37.8	Very low	68.9	Low	90 Å²	90	96.6 Å²	96.6	74%	0.744	53%	0.532	S	S	*	.			trans	-135.7	60.4	171.8	0	0	0	0	0	109	N767	N767-A769 PolarHBondContact O-N 3.39Å
770	S	35.3	Very low	66.5	Low	106 Å²	106	104.7 Å²	104.7	74%	0.741	58%	0.577	S	S	*	*			trans	-174.4	77.6	159.6	48.4	0	0	0	0	109.7
771	I	30.7	Very low	63.7	Low	248 Å²	248	111.7 Å²	111.7	100%	1.272	62%	0.616	S	S	*	*			trans	-145	0	135.7	-58.5	-171.4	0	0	0	106.6

Retrieved 771 of 771 residues in 873 ms (Link to these results)

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