A0A087XR13_POEFO Loading...

Gamma-aminobutyric acid type A receptor subunit alpha6

AlphaFold DB , UniProt , Accession A0A087XR13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 465 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.2	Very low	56.6	Low	244 Å²	244	121.1 Å²	121.1	100%	1.202	67%	0.667	S	S	*	*				0	127.3	0	-125.2	151.3	77.5	0	0	107.8
2	S	48.4	Very low	57.8	Low	86 Å²	86	118.3 Å²	118.3	60%	0.601	66%	0.656	S	S	*	*			trans	-85.5	118	-142.7	-172.3	0	0	0	0	115.4	G4 S5	S2-G4 PolarHBondContact O-N 3.49Å; S2-G4 PolarHBondContact OG-N 2.9Å; S2-S5 PolarHBondContact O-N 3.03Å
3	I	53.7	Low	58.7	Low	153 Å²	153	116.7 Å²	116.7	79%	0.785	64%	0.644	S	S	*	*	H	α-helix	trans	-67.1	-15.9	168.8	-71.8	165.2	0	0	0	111.9
4	G	55.1	Low	59.4	Low	53 Å²	53	113.9 Å²	113.9	55%	0.546	63%	0.632	S	S	.	*	H	α-helix	trans	-73.4	-25.1	175.5	0	0	0	0	0	114.3	S2	S2-G4 PolarHBondContact O-N 3.49Å; S2-G4 PolarHBondContact OG-N 2.9Å
5	S	55.2	Low	59.8	Low	76 Å²	76	110.5 Å²	110.5	53%	0.531	62%	0.619	S	S	.	*	H	α-helix	trans	-76.7	-35.3	-176.3	177.9	0	0	0	0	112.9	S2 M9	S2-S5 PolarHBondContact O-N 3.03Å; S5-M9 WeakPolarHBondContact O-CB 3.49Å; S5-M9 PolarHBondContact O-N 3.37Å
6	L	55.5	Low	60.3	Low	136 Å²	136	110.1 Å²	110.1	71%	0.712	61%	0.614	S	S	*	*	H	α-helix	trans	-69.4	-35.7	178.3	-96.4	89	0	0	0	113.1	A10	L6-A10 WeakPolarHBondContact O-CB 3.39Å; L6-A10 PolarHBondContact O-N 3.38Å
7	R	57.1	Low	60.8	Low	206 Å²	206	113.1 Å²	113.1	78%	0.777	62%	0.62	S	S	*	*	H	α-helix	trans	-68.9	-39.3	-179.8	-98.3	-179.9	155.5	-178.9	-6.1	112.8	F11	R7-F11 PolarHBondContact O-N 3.28Å
8	G	59.8	Low	61	Low	41 Å²	41	113.8 Å²	113.8	42%	0.423	62%	0.622	S	S	.	*	H	α-helix	trans	-67.1	-40.7	175.4	0	0	0	0	0	112.4	F11 V12	G8-F11 PolarHBondContact O-N 3.05Å; G8-V12 WeakPolarHBondContact O-CG2 3.41Å; G8-V12 PolarHBondContact O-N 3.16Å; G8-V12 VanDerWaalsContact O-N 3.16Å
9	M	61.2	Low	61.2	Low	127 Å²	127	115.6 Å²	115.6	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-69.3	-37.3	-179.3	-156.8	164.2	147.2	0	0	112.2	S5 L13	S5-M9 WeakPolarHBondContact O-CB 3.49Å; S5-M9 PolarHBondContact O-N 3.37Å; M9-L13 HydrophobicContact CG-CD1 4.35Å; M9-L13 WeakPolarHBondContact O-CB 3.33Å; M9-L13 WeakPolarHBondContact O-CD1 3.49Å; M9-L13 PolarHBondContact O-N 2.8Å
10	A	63.3	Low	61.3	Low	54 Å²	54	113.5 Å²	113.5	45%	0.446	62%	0.617	S	S	.	*	H	α-helix	trans	-65.1	-39.1	174.3	0	0	0	0	0	113	L6 L13 T14	L6-A10 WeakPolarHBondContact O-CB 3.39Å; L6-A10 PolarHBondContact O-N 3.38Å; A10-L13 PolarHBondContact O-N 3.15Å; A10-T14 PolarHBondContact O-N 3.09Å; A10-T14 PolarHBondContact O-OG1 3.49Å
11	F	67.8	Low	61.3	Low	156 Å²	156	110.9 Å²	110.9	68%	0.684	61%	0.611	S	S	*	*	H	α-helix	trans	-70	-35.3	179.2	-131.1	-86.8	0	0	0	112.9	R7 G8 T14 S15	R7-F11 PolarHBondContact O-N 3.28Å; G8-F11 PolarHBondContact O-N 3.05Å; F11-T14 WeakPolarHBondContact CA-OG1 3.41Å; F11-T14 PolarHBondContact O-OG1 3.38Å; F11-S15 WeakPolarHBondContact O-CB 3.32Å; F11-S15 PolarHBondContact O-N 3.25Å; F11-S15 VanDerWaalsContact O-N 3.07Å; F11-S15 PolarHBondContact O-OG 3.26Å
12	V	71.3	Confident	62	Low	88 Å²	88	102 Å²	102	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-70.6	-43.1	175.5	172.2	0	0	0	0	110.4	G8 S15 L16	G8-V12 WeakPolarHBondContact O-CG2 3.41Å; G8-V12 PolarHBondContact O-N 3.16Å; G8-V12 VanDerWaalsContact O-N 3.16Å; V12-S15 PolarHBondContact O-N 3.33Å; V12-L16 HydrophobicContact CG1-CD1 3.75Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 PolarHBondContact O-N 3.33Å
13	L	69.4	Low	62.6	Low	97 Å²	97	100.7 Å²	100.7	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-41.9	176.8	-85.5	157.9	0	0	0	112.7	M9 A10 F17	M9-L13 HydrophobicContact CG-CD1 4.35Å; M9-L13 WeakPolarHBondContact O-CB 3.33Å; M9-L13 WeakPolarHBondContact O-CD1 3.49Å; M9-L13 PolarHBondContact O-N 2.8Å; A10-L13 PolarHBondContact O-N 3.15Å; L13-F17 WeakPolarHBondContact O-CB 3Å; L13-F17 PolarHBondContact O-N 3.07Å
14	T	68.3	Low	62.9	Low	78 Å²	78	97.4 Å²	97.4	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-68.5	-37	175.5	44.7	0	0	0	0	112.5	A10 F11 F17 L18	A10-T14 PolarHBondContact O-N 3.09Å; A10-T14 PolarHBondContact O-OG1 3.49Å; F11-T14 WeakPolarHBondContact CA-OG1 3.41Å; F11-T14 PolarHBondContact O-OG1 3.38Å; T14-F17 PolarHBondContact O-N 3.13Å; T14-L18 WeakPolarHBondContact O-CB 3.26Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.49Å
15	S	66.4	Low	62.9	Low	62 Å²	62	98.6 Å²	98.6	43%	0.434	55%	0.547	S	S	.	.	H	α-helix	trans	-68.1	-40.2	176	-60	0	0	0	0	112	F11 V12 L18 F19	F11-S15 WeakPolarHBondContact O-CB 3.32Å; F11-S15 PolarHBondContact O-N 3.25Å; F11-S15 VanDerWaalsContact O-N 3.07Å; F11-S15 PolarHBondContact O-OG 3.26Å; V12-S15 PolarHBondContact O-N 3.33Å; S15-L18 PolarHBondContact O-N 3.41Å; S15-F19 WeakPolarHBondContact O-CB 3.38Å; S15-F19 PolarHBondContact O-N 3.08Å
16	L	67.9	Low	62.9	Low	104 Å²	104	101.7 Å²	101.7	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-64.7	-39.4	173.1	-96.9	143.2	0	0	0	112.2	V12 F19 C20	V12-L16 HydrophobicContact CG1-CD1 3.75Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 PolarHBondContact O-N 3.33Å; L16-F19 PolarHBondContact O-N 3.16Å; L16-C20 WeakPolarHBondContact O-CB 3.31Å; L16-C20 PolarHBondContact O-N 2.95Å
17	F	68.6	Low	62.9	Low	162 Å²	162	99.2 Å²	99.2	71%	0.711	54%	0.544	S	S	*	.	H	α-helix	trans	-66	-41.4	174.9	-117.5	-87	0	0	0	112.2	L13 T14 A21	L13-F17 WeakPolarHBondContact O-CB 3Å; L13-F17 PolarHBondContact O-N 3.07Å; T14-F17 PolarHBondContact O-N 3.13Å; F17-A21 VanDerWaalsContact O-CB 3.23Å; F17-A21 WeakPolarHBondContact O-CB 3.49Å; F17-A21 PolarHBondContact O-N 2.69Å
18	L	64.7	Low	62.7	Low	126 Å²	126	95.6 Å²	95.6	66%	0.66	54%	0.536	S	S	*	.	H	α-helix	trans	-66.6	-37.4	175.9	-80.9	160.1	0	0	0	112	T14 S15 S22	T14-L18 WeakPolarHBondContact O-CB 3.26Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.49Å; S15-L18 PolarHBondContact O-N 3.41Å; L18-S22 WeakPolarHBondContact O-CB 3.16Å; L18-S22 PolarHBondContact O-N 3.05Å; L18-S22 PolarHBondContact O-OG 2.85Å
19	F	65	Low	62.4	Low	148 Å²	148	100.4 Å²	100.4	65%	0.649	55%	0.547	S	S	*	.	H	α-helix	trans	-72	-39	176.9	-147.5	-92.5	0	0	0	112.2	S15 L16 S22 T23	S15-F19 WeakPolarHBondContact O-CB 3.38Å; S15-F19 PolarHBondContact O-N 3.08Å; L16-F19 PolarHBondContact O-N 3.16Å; F19-S22 WeakPolarHBondContact CA-OG 3.38Å; F19-S22 PolarHBondContact O-OG 2.68Å; F19-S22 VanDerWaalsContact O-OG 3.14Å; F19-T23 HydrophobicContact CD1-CG2 4.35Å; F19-T23 HydrophobicContact CE1-CG2 4.34Å; F19-T23 WeakPolarHBondContact O-CB 3.37Å; F19-T23 PolarHBondContact O-N 3.49Å; F19-T23 PolarHBondContact O-OG1 2.89Å
20	C	63.2	Low	62.1	Low	73 Å²	73	97.5 Å²	97.5	49%	0.493	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-41.2	170.9	-84.6	0	0	0	0	111.9	L16 S22 T23 V24	L16-C20 WeakPolarHBondContact O-CB 3.31Å; L16-C20 PolarHBondContact O-N 2.95Å; C20-S22 PolarHBondContact O-N 3.14Å; C20-T23 WeakPolarHBondContact CA-OG1 3.44Å; C20-T23 PolarHBondContact O-OG1 3.14Å; C20-T23 VanDerWaalsContact O-OG1 3.14Å; C20-V24 VanDerWaalsContact O-CB 3.31Å; C20-V24 WeakPolarHBondContact O-CB 3.36Å; C20-V24 WeakPolarHBondContact O-CG2 3.33Å; C20-V24 PolarHBondContact O-N 3.45Å
21	A	60.6	Low	61.8	Low	58 Å²	58	101.8 Å²	101.8	48%	0.479	55%	0.55	S	S	.	.	H	α-helix	trans	-66.2	-37.7	178.8	0	0	0	0	0	112.2	F17 C25	F17-A21 VanDerWaalsContact O-CB 3.23Å; F17-A21 WeakPolarHBondContact O-CB 3.49Å; F17-A21 PolarHBondContact O-N 2.69Å; A21-C25 WeakPolarHBondContact O-CB 3.44Å; A21-C25 PolarHBondContact O-N 2.92Å
22	S	60	Low	61.4	Low	57 Å²	57	98 Å²	98	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-71.7	-42.5	177	36.9	0	0	0	0	112.5	L18 F19 C20 C25 E26	L18-S22 WeakPolarHBondContact O-CB 3.16Å; L18-S22 PolarHBondContact O-N 3.05Å; L18-S22 PolarHBondContact O-OG 2.85Å; F19-S22 WeakPolarHBondContact CA-OG 3.38Å; F19-S22 PolarHBondContact O-OG 2.68Å; F19-S22 VanDerWaalsContact O-OG 3.14Å; C20-S22 PolarHBondContact O-N 3.14Å; S22-C25 PolarHBondContact O-N 3.4Å; S22-E26 WeakPolarHBondContact O-CB 3.38Å; S22-E26 PolarHBondContact O-N 2.93Å
23	T	60.2	Low	60.9	Low	59 Å²	59	96.6 Å²	96.6	36%	0.362	53%	0.533	S	S	.	.	H	α-helix	trans	-67	-36.8	175.8	43.6	0	0	0	0	113.3	F19 C20 T27	F19-T23 HydrophobicContact CD1-CG2 4.35Å; F19-T23 HydrophobicContact CE1-CG2 4.34Å; F19-T23 WeakPolarHBondContact O-CB 3.37Å; F19-T23 PolarHBondContact O-N 3.49Å; F19-T23 PolarHBondContact O-OG1 2.89Å; C20-T23 WeakPolarHBondContact CA-OG1 3.44Å; C20-T23 PolarHBondContact O-OG1 3.14Å; C20-T23 VanDerWaalsContact O-OG1 3.14Å; T23-T27 PolarHBondContact O-N 3.41Å; T23-T27 VanDerWaalsContact O-N 3.08Å; T23-T27 PolarHBondContact O-OG1 3Å
24	V	59.9	Low	60.5	Low	84 Å²	84	97 Å²	97	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-36.7	173.2	172.5	0	0	0	0	111.5	C20 T27 Q28	C20-V24 VanDerWaalsContact O-CB 3.31Å; C20-V24 WeakPolarHBondContact O-CB 3.36Å; C20-V24 WeakPolarHBondContact O-CG2 3.33Å; C20-V24 PolarHBondContact O-N 3.45Å; V24-T27 WeakPolarHBondContact CA-OG1 3.21Å; V24-T27 PolarHBondContact O-OG1 2.8Å; V24-Q28 PolarHBondContact O-N 3.15Å; V24-Q28 VanDerWaalsContact O-N 3.13Å
25	C	56.2	Low	60.5	Low	78 Å²	78	98.7 Å²	98.7	53%	0.527	53%	0.534	S	S	.	.	H	α-helix	trans	-70.6	-40.9	176.8	-157.3	0	0	0	0	111.9	A21 S22 H29	A21-C25 WeakPolarHBondContact O-CB 3.44Å; A21-C25 PolarHBondContact O-N 2.92Å; S22-C25 PolarHBondContact O-N 3.4Å; C25-H29 WeakPolarHBondContact O-CB 3.32Å; C25-H29 PolarHBondContact O-N 2.92Å
26	E	55.3	Low	60.5	Low	141 Å²	141	100.6 Å²	100.6	66%	0.659	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-39.8	175.2	-91.2	178.8	155.5	0	0	113	S22 H29 S30	S22-E26 WeakPolarHBondContact O-CB 3.38Å; S22-E26 PolarHBondContact O-N 2.93Å; E26-H29 PolarHBondContact O-N 3.28Å; E26-S30 WeakPolarHBondContact O-CB 3.37Å; E26-S30 PolarHBondContact O-N 2.68Å
27	T	54.4	Low	60.3	Low	84 Å²	84	100.8 Å²	100.8	52%	0.515	54%	0.54	S	S	.	.	H	α-helix	trans	-68	-41.8	177.2	36.1	0	0	0	0	112.2	T23 V24 H29 S30 E31	T23-T27 PolarHBondContact O-N 3.41Å; T23-T27 VanDerWaalsContact O-N 3.08Å; T23-T27 PolarHBondContact O-OG1 3Å; V24-T27 WeakPolarHBondContact CA-OG1 3.21Å; V24-T27 PolarHBondContact O-OG1 2.8Å; T27-H29 PolarHBondContact O-N 2.96Å; T27-S30 PolarHBondContact O-N 3.07Å; T27-E31 PolarHBondContact O-N 3.3Å; T27-E31 VanDerWaalsContact O-N 3.07Å
28	Q	52.6	Low	60.8	Low	130 Å²	130	96.8 Å²	96.8	61%	0.607	53%	0.526	S	S	*	.	H	α-helix	trans	-64.2	-38.6	173	-77.1	-162.4	-28.9	0	0	112.7	V24 T32	V24-Q28 PolarHBondContact O-N 3.15Å; V24-Q28 VanDerWaalsContact O-N 3.13Å; Q28-T32 WeakPolarHBondContact O-CB 3.5Å; Q28-T32 PolarHBondContact O-N 3.14Å; Q28-T32 VanDerWaalsContact O-N 3.16Å; Q28-T32 PolarHBondContact O-OG1 3.14Å
29	H	53.3	Low	61.7	Low	143 Å²	143	92.1 Å²	92.1	66%	0.662	50%	0.502	S	S	*	.	H	α-helix	trans	-68.4	-36.1	179	-134.7	-42.5	0	0	0	112.4	C25 E26 T27 S33	C25-H29 WeakPolarHBondContact O-CB 3.32Å; C25-H29 PolarHBondContact O-N 2.92Å; E26-H29 PolarHBondContact O-N 3.28Å; T27-H29 PolarHBondContact O-N 2.96Å; H29-S33 WeakPolarHBondContact O-CB 3.45Å; H29-S33 PolarHBondContact O-N 3.31Å; H29-S33 VanDerWaalsContact O-N 3.1Å
30	S	55.3	Low	62.8	Low	65 Å²	65	88.7 Å²	88.7	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-67.8	-48.1	176.6	-175.5	0	0	0	0	112.4	E26 T27 T32 S33 I34	E26-S30 WeakPolarHBondContact O-CB 3.37Å; E26-S30 PolarHBondContact O-N 2.68Å; T27-S30 PolarHBondContact O-N 3.07Å; S30-T32 VanDerWaalsContact C-N 3.31Å; S30-T32 PolarHBondContact O-N 3.27Å; S30-S33 PolarHBondContact O-N 2.77Å; S30-I34 VanDerWaalsContact O-CG1 3.26Å; S30-I34 WeakPolarHBondContact O-CG1 3.47Å; S30-I34 PolarHBondContact O-N 2.9Å
31	E	58.1	Low	64	Low	144 Å²	144	92.4 Å²	92.4	67%	0.673	50%	0.496	S	S	*	.	H	α-helix	trans	-62.2	-38.2	177.4	-74.8	-173.6	166	0	0	112.4	T27 Y35	T27-E31 PolarHBondContact O-N 3.3Å; T27-E31 VanDerWaalsContact O-N 3.07Å; E31-Y35 WeakPolarHBondContact O-CB 3.14Å; E31-Y35 PolarHBondContact O-N 2.91Å
32	T	59	Low	65.3	Low	77 Å²	77	90.3 Å²	90.3	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-37.3	178.3	-45	0	0	0	0	111.9	Q28 S30 Y35 L36	Q28-T32 WeakPolarHBondContact O-CB 3.5Å; Q28-T32 PolarHBondContact O-N 3.14Å; Q28-T32 VanDerWaalsContact O-N 3.16Å; Q28-T32 PolarHBondContact O-OG1 3.14Å; S30-T32 VanDerWaalsContact C-N 3.31Å; S30-T32 PolarHBondContact O-N 3.27Å; T32-Y35 PolarHBondContact O-N 2.88Å; T32-L36 HydrophobicContact CG2-CD1 4.35Å; T32-L36 WeakPolarHBondContact O-CG 3.41Å; T32-L36 PolarHBondContact O-N 3.39Å; T32-L36 VanDerWaalsContact O-N 3.07Å
33	S	60.2	Low	66.7	Low	58 Å²	58	89.3 Å²	89.3	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-66.8	-45	175.5	-167.1	0	0	0	0	111.7	H29 S30 Y35 L36 D37	H29-S33 WeakPolarHBondContact O-CB 3.45Å; H29-S33 PolarHBondContact O-N 3.31Å; H29-S33 VanDerWaalsContact O-N 3.1Å; S30-S33 PolarHBondContact O-N 2.77Å; S33-Y35 VanDerWaalsContact C-N 3.29Å; S33-Y35 PolarHBondContact O-N 2.86Å; S33-L36 PolarHBondContact O-N 3.21Å; S33-D37 PolarHBondContact O-N 2.81Å
34	I	61.8	Low	68.1	Low	107 Å²	107	91.6 Å²	91.6	55%	0.549	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-39.7	177.1	-66.7	165.2	0	0	0	110.7	S30 N38	S30-I34 VanDerWaalsContact O-CG1 3.26Å; S30-I34 WeakPolarHBondContact O-CG1 3.47Å; S30-I34 PolarHBondContact O-N 2.9Å; I34-N38 WeakPolarHBondContact O-CB 3.33Å; I34-N38 PolarHBondContact O-N 3.01Å; I34-N38 VanDerWaalsContact O-N 3.12Å
35	Y	68	Low	69.6	Low	113 Å²	113	95.3 Å²	95.3	44%	0.443	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-44.7	176.1	-177.7	-96.8	0	0	0	112.4	E31 T32 S33 N38 I39 P104 I105	E31-Y35 WeakPolarHBondContact O-CB 3.14Å; E31-Y35 PolarHBondContact O-N 2.91Å; T32-Y35 PolarHBondContact O-N 2.88Å; S33-Y35 VanDerWaalsContact C-N 3.29Å; S33-Y35 PolarHBondContact O-N 2.86Å; Y35-N38 PolarHBondContact O-N 3.49Å; Y35-I39 WeakPolarHBondContact O-CG1 3.44Å; Y35-I39 PolarHBondContact O-N 3.28Å; Y35-P104 HydrophobicContact CE2-CG 4.26Å; Y35-I105 HydrophobicContact CE1-CD1 4.26Å; Y35-I105 HydrophobicContact CE2-CD1 4.26Å; Y35-I105 HydrophobicContact CE2-CG1 4.19Å; Y35-I105 WeakPolarHBondContact OH-CD1 3.41Å; Y35-I105 VanDerWaalsContact OH-CG1 3.25Å; Y35-I105 WeakPolarHBondContact OH-CG1 3.5Å
36	L	66	Low	71.3	Confident	102 Å²	102	92.1 Å²	92.1	53%	0.534	46%	0.46	S	S	.	.	H	α-helix	trans	-67	-42.1	178.8	-74.9	163.9	0	0	0	113	T32 S33 N38 I39 T40	T32-L36 HydrophobicContact CG2-CD1 4.35Å; T32-L36 WeakPolarHBondContact O-CG 3.41Å; T32-L36 PolarHBondContact O-N 3.39Å; T32-L36 VanDerWaalsContact O-N 3.07Å; S33-L36 PolarHBondContact O-N 3.21Å; L36-N38 VanDerWaalsContact C-N 3.28Å; L36-N38 PolarHBondContact O-N 3.46Å; L36-I39 PolarHBondContact O-N 3.21Å; L36-T40 PolarHBondContact O-N 3.43Å; L36-T40 PolarHBondContact O-OG1 3.44Å
37	D	63.8	Low	73	Confident	108 Å²	108	87.3 Å²	87.3	58%	0.578	44%	0.438	S	S	*	.	H	α-helix	trans	-64.1	-36.6	177.3	-75.3	-22.6	0	0	0	111.5	S33 R41	S33-D37 PolarHBondContact O-N 2.81Å; D37-R41 WeakPolarHBondContact O-CB 3.3Å; D37-R41 PolarHBondContact O-N 3.12Å; D37-R41 VanDerWaalsContact O-N 3.09Å
38	N	80.1	Confident	74.9	Confident	78 Å²	78	90 Å²	90	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-66.2	-40.2	176.9	-158.1	9.3	0	0	0	111.8	I34 Y35 L36 R41 I42	I34-N38 WeakPolarHBondContact O-CB 3.33Å; I34-N38 PolarHBondContact O-N 3.01Å; I34-N38 VanDerWaalsContact O-N 3.12Å; Y35-N38 PolarHBondContact O-N 3.49Å; L36-N38 VanDerWaalsContact C-N 3.28Å; L36-N38 PolarHBondContact O-N 3.46Å; N38-R41 PolarHBondContact O-N 3.25Å; N38-I42 WeakPolarHBondContact O-CD1 3.4Å; N38-I42 VanDerWaalsContact O-CG1 3.24Å; N38-I42 WeakPolarHBondContact O-CG1 3.42Å; N38-I42 PolarHBondContact O-N 3.4Å
39	I	83.5	Confident	76.8	Confident	28 Å²	28	87.5 Å²	87.5	14%	0.144	46%	0.458	C	S	.	.	H	α-helix	trans	-69	-40.8	177.8	-63.7	-60.1	0	0	0	112.2	Y35 L36 R41 I42 L43 I105 L108	Y35-I39 WeakPolarHBondContact O-CG1 3.44Å; Y35-I39 PolarHBondContact O-N 3.28Å; L36-I39 PolarHBondContact O-N 3.21Å; I39-R41 VanDerWaalsContact C-N 3.32Å; I39-R41 PolarHBondContact O-N 3.07Å; I39-I42 HydrophobicContact CD1-CD1 4.18Å; I39-I42 PolarHBondContact O-N 3.49Å; I39-L43 HydrophobicContact CG2-CD1 4.07Å; I39-L43 HydrophobicContact CG2-CG 4.45Å; I39-L43 WeakPolarHBondContact O-CG 3.45Å; I39-L43 PolarHBondContact O-N 2.96Å; I39-I105 HydrophobicContact CD1-CD1 3.4Å; I39-I105 HydrophobicContact CD1-CG1 4.06Å; I39-I105 HydrophobicContact CG1-CD1 4.05Å; I39-L108 HydrophobicContact CD1-CD2 4.2Å; I39-L108 HydrophobicContact CG2-CD2 4.38Å
40	T	87.4	Confident	78.8	Confident	75 Å²	75	82.1 Å²	82.1	46%	0.46	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-44.6	176.8	-52.7	0	0	0	0	110.6	L36 I42 L43 D44	L36-T40 PolarHBondContact O-N 3.43Å; L36-T40 PolarHBondContact O-OG1 3.44Å; T40-I42 VanDerWaalsContact C-N 3.33Å; T40-I42 PolarHBondContact O-N 3.01Å; T40-L43 PolarHBondContact O-N 2.98Å; T40-L43 VanDerWaalsContact O-N 3.15Å; T40-D44 PolarHBondContact O-N 3.26Å
41	R	88.6	Confident	80.7	Confident	151 Å²	151	81.1 Å²	81.1	57%	0.57	42%	0.422	S	S	*	.	H	α-helix	trans	-63.4	-35.9	175.7	-170.4	178.5	178.7	178	1.6	113.2	D37 N38 I39 R45	D37-R41 WeakPolarHBondContact O-CB 3.3Å; D37-R41 PolarHBondContact O-N 3.12Å; D37-R41 VanDerWaalsContact O-N 3.09Å; N38-R41 PolarHBondContact O-N 3.25Å; I39-R41 VanDerWaalsContact C-N 3.32Å; I39-R41 PolarHBondContact O-N 3.07Å; R41-R45 VanDerWaalsContact NH2-NH2 3.19Å; R41-R45 WeakPolarHBondContact O-CB 3.29Å; R41-R45 VanDerWaalsContact O-CG 3.3Å; R41-R45 WeakPolarHBondContact O-CG 3.41Å; R41-R45 PolarHBondContact O-N 3.1Å; R41-R45 VanDerWaalsContact O-N 3.13Å
42	I	88.6	Confident	82.4	Confident	14 Å²	14	77.4 Å²	77.4	7%	0.072	41%	0.407	C	S	.	.	H	α-helix	trans	-64.7	-43.6	173.6	-72.3	161.6	0	0	0	110.4	N38 I39 T40 R45 L46 F101 L108	N38-I42 WeakPolarHBondContact O-CD1 3.4Å; N38-I42 VanDerWaalsContact O-CG1 3.24Å; N38-I42 WeakPolarHBondContact O-CG1 3.42Å; N38-I42 PolarHBondContact O-N 3.4Å; I39-I42 HydrophobicContact CD1-CD1 4.18Å; I39-I42 PolarHBondContact O-N 3.49Å; T40-I42 VanDerWaalsContact C-N 3.33Å; T40-I42 PolarHBondContact O-N 3.01Å; I42-R45 PolarHBondContact O-N 2.66Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.5Å; I42-L46 WeakPolarHBondContact O-CB 3.24Å; I42-L46 WeakPolarHBondContact O-CG 3.38Å; I42-L46 PolarHBondContact O-N 3.16Å; I42-F101 HydrophobicContact CG2-CB 4.03Å; I42-F101 HydrophobicContact CG2-CD2 4.07Å; I42-F101 HydrophobicContact CG2-CG 4.2Å; I42-L108 HydrophobicContact CG2-CD1 4.5Å
43	L	88.4	Confident	84.1	Confident	37 Å²	37	82.5 Å²	82.5	19%	0.194	42%	0.417	C	S	.	.	H	α-helix	trans	-65.9	-41.5	179.5	-72.3	169.4	0	0	0	112.8	I39 T40 L46 L47 L108 L110 M114	I39-L43 HydrophobicContact CG2-CD1 4.07Å; I39-L43 HydrophobicContact CG2-CG 4.45Å; I39-L43 WeakPolarHBondContact O-CG 3.45Å; I39-L43 PolarHBondContact O-N 2.96Å; T40-L43 PolarHBondContact O-N 2.98Å; T40-L43 VanDerWaalsContact O-N 3.15Å; L43-L46 HydrophobicContact CD2-CD1 4.47Å; L43-L46 WeakPolarHBondContact O-CB 3.44Å; L43-L46 PolarHBondContact O-N 3.37Å; L43-L47 PolarHBondContact O-N 3.41Å; L43-L108 HydrophobicContact CD2-CD1 4.34Å; L43-L110 HydrophobicContact CD1-CD2 4.16Å; L43-L110 HydrophobicContact CD2-CD1 3.91Å; L43-L110 HydrophobicContact CD2-CD2 3.76Å; L43-M114 HydrophobicContact CD2-CE 4.5Å
44	D	90.1	Very high	85.7	Confident	107 Å²	107	82.8 Å²	82.8	57%	0.572	41%	0.414	S	S	*	.	H	α-helix	trans	-65.7	-40.7	177	-70.2	-25.7	0	0	0	111.3	T40 L46 L47 D48	T40-D44 PolarHBondContact O-N 3.26Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-L46 PolarHBondContact O-N 3Å; D44-L47 PolarHBondContact O-N 2.99Å; D44-D48 PolarHBondContact O-N 3.29Å
45	R	90.6	Very high	87.3	Confident	162 Å²	162	78.2 Å²	78.2	61%	0.611	39%	0.39	S	S	*	.	H	α-helix	trans	-63.7	-37.7	173.9	-78.5	176.5	171	179.8	-5.2	113.2	R41 I42 L47 D48	R41-R45 VanDerWaalsContact NH2-NH2 3.19Å; R41-R45 WeakPolarHBondContact O-CB 3.29Å; R41-R45 VanDerWaalsContact O-CG 3.3Å; R41-R45 WeakPolarHBondContact O-CG 3.41Å; R41-R45 PolarHBondContact O-N 3.1Å; R41-R45 VanDerWaalsContact O-N 3.13Å; I42-R45 PolarHBondContact O-N 2.66Å; R45-L47 PolarHBondContact O-N 3.02Å; R45-D48 PolarHBondContact O-N 2.88Å
46	L	91.5	Very high	88.6	Confident	11 Å²	11	73.1 Å²	73.1	6%	0.058	37%	0.371	C	S	.	.	H	α-helix	trans	-64.6	-30.7	177.5	-86.1	166.2	0	0	0	112.7	I42 L43 D44 L99 F101 L108	I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.5Å; I42-L46 WeakPolarHBondContact O-CB 3.24Å; I42-L46 WeakPolarHBondContact O-CG 3.38Å; I42-L46 PolarHBondContact O-N 3.16Å; L43-L46 HydrophobicContact CD2-CD1 4.47Å; L43-L46 WeakPolarHBondContact O-CB 3.44Å; L43-L46 PolarHBondContact O-N 3.37Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-L46 PolarHBondContact O-N 3Å; L46-L99 HydrophobicContact CB-CD2 4.4Å; L46-L99 HydrophobicContact CD2-CB 4.29Å; L46-L99 HydrophobicContact CD2-CD2 4.06Å; L46-L99 WeakPolarHBondContact CD2-O 3.25Å; L46-F101 HydrophobicContact CD1-CB 4.12Å; L46-F101 HydrophobicContact CD1-CD1 4.21Å; L46-F101 HydrophobicContact CD1-CG 4.3Å; L46-F101 HydrophobicContact CD2-CB 4.1Å; L46-F101 HydrophobicContact CG-CB 4.26Å; L46-L108 HydrophobicContact CD1-CD1 4.02Å
47	L	92.4	Very high	89.8	Confident	40 Å²	40	70.2 Å²	70.2	21%	0.209	37%	0.365	C	S	.	.	H	α-helix	trans	-93.6	-12.2	-179.2	-68.8	177.6	0	0	0	113.4	L43 D44 R45 G49 Y50 M114 K117 I118	L43-L47 PolarHBondContact O-N 3.41Å; D44-L47 PolarHBondContact O-N 2.99Å; R45-L47 PolarHBondContact O-N 3.02Å; L47-G49 PolarHBondContact O-N 3.01Å; L47-Y50 PolarHBondContact O-N 3.37Å; L47-Y50 VanDerWaalsContact O-N 3.16Å; L47-M114 HydrophobicContact CD1-CE 3.9Å; L47-M114 HydrophobicContact CD1-SD 3.95Å; L47-M114 HydrophobicContact CD2-CE 3.52Å; L47-M114 HydrophobicContact CD2-SD 4.31Å; L47-M114 HydrophobicContact CG-CE 3.77Å; L47-M114 HydrophobicContact CG-SD 4.47Å; L47-K117 HydrophobicContact CD1-CD 3.75Å; L47-K117 HydrophobicContact CD2-CB 4.18Å; L47-I118 HydrophobicContact CD2-CG2 4.39Å
48	D	93.9	Very high	91.1	Very high	140 Å²	140	71.4 Å²	71.4	75%	0.749	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	120.2	178.4	-167.6	14.4	0	0	0	110.5	D44 R45 Y50	D44-D48 PolarHBondContact O-N 3.29Å; R45-D48 PolarHBondContact O-N 2.88Å; D48-Y50 PolarHBondContact O-N 2.65Å
49	G	92.3	Very high	91.6	Very high	77 Å²	77	71.4 Å²	71.4	79%	0.794	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	8.4	-175.9	0	0	0	0	0	115.9	L47 D51	L47-G49 PolarHBondContact O-N 3.01Å; G49-D51 PolarHBondContact O-N 2.87Å
50	Y	95.3	Very high	92	Very high	31 Å²	31	72.3 Å²	72.3	12%	0.122	40%	0.4	C	S	.	.			trans	-77.4	118	178.5	-170.7	-82.7	0	0	0	111.7	L47 D48 N52 D96 R98 L99 I118 W119	L47-Y50 PolarHBondContact O-N 3.37Å; L47-Y50 VanDerWaalsContact O-N 3.16Å; D48-Y50 PolarHBondContact O-N 2.65Å; Y50-N52 HydrophobicContact CD1-CB 4.4Å; Y50-N52 HydrophobicContact CE1-CB 4.07Å; Y50-D96 WeakPolarHBondContact CE2-OD2 3.24Å; Y50-D96 PolarHBondContact OH-OD2 3.48Å; Y50-R98 HydrophobicContact CD2-CB 4Å; Y50-R98 HydrophobicContact CE2-CB 3.96Å; Y50-R98 PolarHBondContact OH-NH2 2.94Å; Y50-R98 VanDerWaalsContact OH-NH2 3.1Å; Y50-L99 HydrophobicContact CD2-CD2 3.98Å; Y50-L99 HydrophobicContact CD2-CG 4.24Å; Y50-L99 HydrophobicContact CE2-CD1 3.91Å; Y50-L99 HydrophobicContact CE2-CD2 3.93Å; Y50-L99 HydrophobicContact CE2-CG 3.74Å; Y50-I118 HydrophobicContact CE1-CB 4.15Å; Y50-I118 HydrophobicContact CE1-CG2 4.32Å; Y50-W119 PolarHBondContact OH-N 3.44Å
51	D	94.5	Very high	92.4	Very high	43 Å²	43	73.6 Å²	73.6	23%	0.23	41%	0.41	C	S	.	.			trans	-97	112.9	172	-166.3	-19	0	0	0	111	G49 R53 L54 R98	G49-D51 PolarHBondContact O-N 2.87Å; D51-R53 VanDerWaalsContact C-N 3.29Å; D51-R53 PolarHBondContact O-N 3.36Å; D51-R53 VanDerWaalsContact OD1-CB 3.3Å; D51-R53 WeakPolarHBondContact OD1-CB 2.96Å; D51-R53 WeakPolarHBondContact OD1-CG 3.25Å; D51-R53 IonicContact OD1-CZ 2.6Å; D51-R53 PolarHBondContact OD1-N 3.47Å; D51-R53 IonicContact OD1-NE 2.84Å; D51-R53 PolarHBondContact OD1-NE 2.91Å; D51-R53 IonicContact OD1-NH2 3.1Å; D51-R53 IonicContact OD2-CZ 3.74Å; D51-R53 IonicContact OD2-NE 3.62Å; D51-R53 PolarHBondContact OD2-NE 3.35Å; D51-R53 IonicContact OD2-NH2 3.33Å; D51-R53 PolarHBondContact OD2-NH2 3.23Å; D51-L54 HydrophobicContact CB-CD1 4.34Å; D51-L54 HydrophobicContact CB-CG 4.49Å; D51-R98 PolarHBondContact O-NH1 2.95Å
52	N	94.4	Very high	92.7	Very high	67 Å²	67	69.9 Å²	69.9	36%	0.358	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.5	-179.1	67.4	-6.3	0	0	0	114.5	Y50 L54 S116 K117	Y50-N52 HydrophobicContact CD1-CB 4.4Å; Y50-N52 HydrophobicContact CE1-CB 4.07Å; N52-L54 VanDerWaalsContact C-N 3.3Å; N52-S116 PolarHBondContact ND2-O 2.83Å; N52-K117 WeakPolarHBondContact CB-O 3.44Å
53	R	93.8	Very high	93.1	Very high	183 Å²	183	69.6 Å²	69.6	69%	0.691	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.7	176.8	-57.1	172	-64.7	173.8	3.8	112	D51	D51-R53 VanDerWaalsContact C-N 3.29Å; D51-R53 PolarHBondContact O-N 3.36Å; D51-R53 VanDerWaalsContact OD1-CB 3.3Å; D51-R53 WeakPolarHBondContact OD1-CB 2.96Å; D51-R53 WeakPolarHBondContact OD1-CG 3.25Å; D51-R53 IonicContact OD1-CZ 2.6Å; D51-R53 PolarHBondContact OD1-N 3.47Å; D51-R53 IonicContact OD1-NE 2.84Å; D51-R53 PolarHBondContact OD1-NE 2.91Å; D51-R53 IonicContact OD1-NH2 3.1Å; D51-R53 IonicContact OD2-CZ 3.74Å; D51-R53 IonicContact OD2-NE 3.62Å; D51-R53 PolarHBondContact OD2-NE 3.35Å; D51-R53 IonicContact OD2-NH2 3.33Å; D51-R53 PolarHBondContact OD2-NH2 3.23Å
54	L	94.8	Very high	93.5	Very high	65 Å²	65	72 Å²	72	34%	0.34	41%	0.413	S	S	.	.	S	Bend	trans	-102.3	129.1	-176.5	-59.6	178.4	0	0	0	110.8	D51 N52 F58 R98	D51-L54 HydrophobicContact CB-CD1 4.34Å; D51-L54 HydrophobicContact CB-CG 4.49Å; N52-L54 VanDerWaalsContact C-N 3.3Å; L54-F58 HydrophobicContact CB-CB 4.49Å; L54-F58 HydrophobicContact CD2-CD1 4.34Å; L54-F58 HydrophobicContact CD2-CD2 4.28Å; L54-F58 HydrophobicContact CD2-CE1 4.45Å; L54-F58 HydrophobicContact CD2-CE2 4.39Å; L54-F58 HydrophobicContact CD2-CG 4.25Å; L54-F58 HydrophobicContact CD2-CZ 4.48Å; L54-R98 PolarHBondContact O-NH1 3.15Å; L54-R98 PolarHBondContact O-NH2 3.46Å; L54-R98 VanDerWaalsContact O-NH2 3.14Å
55	R	95.3	Very high	93.9	Very high	10 Å²	10	66.9 Å²	66.9	4%	0.038	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.3	153.2	173.2	73.2	171	-178.6	82.5	0.7	111.1	G57 F58 P61 T63 W119 E190	R55-G57 PolarHBondContact NH1-O 2.84Å; R55-G57 PolarHBondContact O-N 3.01Å; R55-F58 HydrophobicContact CG-CB 4.39Å; R55-F58 HydrophobicContact CG-CD2 4.38Å; R55-F58 WeakPolarHBondContact O-CB 3.39Å; R55-F58 PolarHBondContact O-N 2.81Å; R55-P61 PolarHBondContact NH1-O 3.1Å; R55-T63 PolarHBondContact NH1-OG1 3.23Å; R55-W119 HydrophobicContact CB-CD2 4.26Å; R55-W119 HydrophobicContact CB-CH2 4.38Å; R55-W119 HydrophobicContact CB-CZ2 3.72Å; R55-E190 IonicContact NE-OE2 3.02Å; R55-E190 PolarHBondContact NE-OE2 3.08Å; R55-E190 VanDerWaalsContact NE-OE2 3.1Å
56	P	95.4	Very high	94.2	Very high	7 Å²	7	63 Å²	63	5%	0.045	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	132	171.4	-19	29.4	0	0	0	110.8	T63 D96 W119	P56-T63 HydrophobicContact CG-CG2 4.43Å; P56-T63 PolarHBondContact O-OG1 3.23Å; P56-D96 HydrophobicContact CB-CB 4.09Å; P56-D96 HydrophobicContact CG-CB 3.85Å; P56-W119 HydrophobicContact CG-CE3 3.86Å; P56-W119 HydrophobicContact CG-CZ3 4.11Å
57	G	91.1	Very high	94.4	Very high	40 Å²	40	62.5 Å²	62.5	41%	0.412	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	27.5	-177.8	0	0	0	0	0	114.2	R55 G59 G60	R55-G57 PolarHBondContact NH1-O 2.84Å; R55-G57 PolarHBondContact O-N 3.01Å; G57-G59 PolarHBondContact O-N 3.07Å; G57-G60 CarbonylContact O-C 3.58Å; G57-G60 WeakPolarHBondContact O-CA 3.35Å; G57-G60 PolarHBondContact O-N 3.39Å
58	F	92.2	Very high	94.6	Very high	133 Å²	133	60.9 Å²	60.9	58%	0.583	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	129.4	173.1	-174.1	-97.3	0	0	0	111.4	L54 R55 G60	L54-F58 HydrophobicContact CB-CB 4.49Å; L54-F58 HydrophobicContact CD2-CD1 4.34Å; L54-F58 HydrophobicContact CD2-CD2 4.28Å; L54-F58 HydrophobicContact CD2-CE1 4.45Å; L54-F58 HydrophobicContact CD2-CE2 4.39Å; L54-F58 HydrophobicContact CD2-CG 4.25Å; L54-F58 HydrophobicContact CD2-CZ 4.48Å; R55-F58 HydrophobicContact CG-CB 4.39Å; R55-F58 HydrophobicContact CG-CD2 4.38Å; R55-F58 WeakPolarHBondContact O-CB 3.39Å; R55-F58 PolarHBondContact O-N 2.81Å; F58-G60 PolarHBondContact O-N 3.14Å
59	G	89.7	Confident	94.8	Very high	79 Å²	79	54.3 Å²	54.3	81%	0.814	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-0.2	-173	0	0	0	0	0	115.2	G57	G57-G59 PolarHBondContact O-N 3.07Å
60	G	92.3	Very high	94.9	Very high	46 Å²	46	53 Å²	53	47%	0.474	30%	0.299	S	S	.	.	S	Bend	trans	-122.7	-142.7	178.7	0	0	0	0	0	112.5	G57 F58	G57-G60 CarbonylContact O-C 3.58Å; G57-G60 WeakPolarHBondContact O-CA 3.35Å; G57-G60 PolarHBondContact O-N 3.39Å; F58-G60 PolarHBondContact O-N 3.14Å
61	P	94.6	Very high	95	Very high	103 Å²	103	51.5 Å²	51.5	67%	0.669	29%	0.293	S	S	*	.	S	Bend	trans	-64.5	162.5	-175.2	28.3	-35	0	0	0	112.8	R55	R55-P61 PolarHBondContact NH1-O 3.1Å
62	V	95.8	Very high	94.9	Very high	72 Å²	72	51 Å²	51	44%	0.436	29%	0.292	S	S	.	.			trans	-65.1	141.2	174.9	-56.3	0	0	0	0	110.7	E64 S189 E190 V192	V62-E64 PolarHBondContact O-N 2.86Å; V62-S189 WeakPolarHBondContact CG1-O 3.28Å; V62-E190 WeakPolarHBondContact CA-O 3.21Å; V62-V192 HydrophobicContact CB-CG2 4.46Å; V62-V192 HydrophobicContact CG2-CG2 4.24Å
63	T	96.7	Very high	94.9	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.5	174.7	-48	0	0	0	0	109	R55 P56 W119 E190 I191 V192	R55-T63 PolarHBondContact NH1-OG1 3.23Å; P56-T63 HydrophobicContact CG-CG2 4.43Å; P56-T63 PolarHBondContact O-OG1 3.23Å; T63-W119 HydrophobicContact CG2-CH2 4.38Å; T63-W119 HydrophobicContact CG2-CZ3 4.42Å; T63-E190 PolarHBondContact N-O 2.61Å; T63-I191 WeakPolarHBondContact O-CA 3.43Å; T63-V192 PolarHBondContact O-N 3.33Å
64	E	96.7	Very high	94.8	Very high	86 Å²	86	41.2 Å²	41.2	40%	0.402	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.7	173.3	-167.9	-167.2	-176.3	0	0	110.4	V62 K66 V192 T194	V62-E64 PolarHBondContact O-N 2.86Å; E64-K66 VanDerWaalsContact CD-CE 3.45Å; E64-K66 WeakPolarHBondContact OE1-CE 3.33Å; E64-K66 WeakPolarHBondContact OE2-CE 3.36Å; E64-K66 IonicContact OE2-NZ 3.46Å; E64-V192 WeakPolarHBondContact CA-O 3.5Å; E64-T194 HydrophobicContact CG-CG2 4.08Å; E64-T194 WeakPolarHBondContact OE1-CB 3.46Å; E64-T194 WeakPolarHBondContact OE1-CG2 3.45Å; E64-T194 PolarHBondContact OE1-OG1 3.42Å
65	V	97.7	Very high	94.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	105.6	175.9	-177.4	0	0	0	0	109.2	T67 Q92 W94 P121 I191 V192 Y193 T194	V65-T67 HydrophobicContact CG1-CG2 4.28Å; V65-Q92 HydrophobicContact CG1-CB 4.19Å; V65-W94 HydrophobicContact CG2-CB 4.33Å; V65-P121 HydrophobicContact CG1-CG 4.24Å; V65-P121 HydrophobicContact CG2-CB 4.23Å; V65-I191 HydrophobicContact CG2-CG2 3.87Å; V65-V192 PolarHBondContact N-O 3.02Å; V65-Y193 HydrophobicContact CB-CD1 4.07Å; V65-Y193 HydrophobicContact CB-CE1 4.1Å; V65-Y193 HydrophobicContact CG1-CD1 4.02Å; V65-Y193 HydrophobicContact CG1-CE1 3.83Å; V65-Y193 WeakPolarHBondContact O-CA 3.47Å; V65-T194 PolarHBondContact O-N 3.48Å
66	K	97.4	Very high	94.4	Very high	82 Å²	82	43 Å²	43	36%	0.357	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.6	177.3	-65.9	179.4	-177.8	-178.8	0	110.2	E64 Q92 T93 T194 K196	E64-K66 VanDerWaalsContact CD-CE 3.45Å; E64-K66 WeakPolarHBondContact OE1-CE 3.33Å; E64-K66 WeakPolarHBondContact OE2-CE 3.36Å; E64-K66 IonicContact OE2-NZ 3.46Å; K66-Q92 CarbonylContact O-C 3.55Å; K66-Q92 WeakPolarHBondContact O-CA 3.41Å; K66-T93 PolarHBondContact N-O 2.92Å; K66-T93 PolarHBondContact O-N 2.77Å; K66-T194 CarbonylContact C-O 3.47Å; K66-T194 VanDerWaalsContact CA-O 3.31Å; K66-T194 WeakPolarHBondContact CA-O 3.37Å; K66-T194 WeakPolarHBondContact CG-OG1 3.26Å; K66-K196 HydrophobicContact CB-CB 4.08Å; K66-K196 HydrophobicContact CB-CG 4.36Å
67	T	97.1	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.8	-176.8	56.2	0	0	0	0	113.1	V65 F90 R91 Q92 F181 Y193 T194 K196 S202	V65-T67 HydrophobicContact CG1-CG2 4.28Å; T67-F90 HydrophobicContact CG2-CZ 4.3Å; T67-R91 WeakPolarHBondContact CA-O 3.44Å; T67-Q92 HydrophobicContact CG2-CG 4.33Å; T67-F181 HydrophobicContact CG2-CE2 4.13Å; T67-Y193 HydrophobicContact CG2-CD1 3.7Å; T67-Y193 HydrophobicContact CG2-CE1 4.23Å; T67-T194 PolarHBondContact N-O 2.82Å; T67-T194 PolarHBondContact OG1-O 3.5Å; T67-K196 WeakPolarHBondContact O-CB 3.24Å; T67-K196 PolarHBondContact O-N 2.87Å; T67-S202 PolarHBondContact O-OG 2.9Å
68	D	96.3	Very high	94.4	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.027	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.3	167.5	68.7	-92.1	0	0	0	110.1	R91 K196 S202	D68-R91 PolarHBondContact N-O 3.42Å; D68-R91 VanDerWaalsContact N-O 3.09Å; D68-R91 WeakPolarHBondContact O-CB 3.19Å; D68-R91 PolarHBondContact O-N 3.34Å; D68-R91 WeakPolarHBondContact OD1-CB 3.49Å; D68-R91 WeakPolarHBondContact OD2-CD 3.36Å; D68-R91 WeakPolarHBondContact OD2-CG 3.23Å; D68-R91 IonicContact OD2-CZ 3.48Å; D68-R91 IonicContact OD2-NE 3.84Å; D68-R91 IonicContact OD2-NH1 2.92Å; D68-R91 PolarHBondContact OD2-NH1 2.94Å; D68-K196 HydrophobicContact CB-CB 4.34Å; D68-K196 VanDerWaalsContact OD1-CD 3.25Å; D68-K196 WeakPolarHBondContact OD1-CD 3Å; D68-K196 IonicContact OD1-NZ 3.42Å; D68-S202 WeakPolarHBondContact CA-O 3.42Å
69	I	96.7	Very high	94.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.5	-177.4	-56	-178.4	0	0	0	108	V71 V88 F90 L179 F181 S202 V203 E204 V239	I69-V71 HydrophobicContact CG2-CG2 4.3Å; I69-V88 HydrophobicContact CG2-CB 3.99Å; I69-V88 HydrophobicContact CG2-CG1 3.93Å; I69-F90 HydrophobicContact CD1-CD2 4.2Å; I69-F90 HydrophobicContact CD1-CE2 4.12Å; I69-F90 HydrophobicContact CG1-CD2 3.93Å; I69-F90 HydrophobicContact CG1-CE2 4.09Å; I69-L179 HydrophobicContact CD1-CD2 4.36Å; I69-F181 HydrophobicContact CD1-CE1 3.75Å; I69-F181 HydrophobicContact CD1-CZ 4.23Å; I69-S202 PolarHBondContact N-O 2.84Å; I69-V203 HydrophobicContact CB-CG2 4.35Å; I69-V203 WeakPolarHBondContact O-CA 3.38Å; I69-E204 PolarHBondContact O-N 3.41Å; I69-V239 HydrophobicContact CD1-CG2 4.33Å
70	F	95.8	Very high	94.5	Very high	50 Å²	50	38.2 Å²	38.2	22%	0.219	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.5	169.5	-177.6	-86.7	0	0	0	108.6	T72 V88 F89 E204 P206	F70-T72 HydrophobicContact CD1-CG2 3.84Å; F70-T72 HydrophobicContact CE1-CG2 3.97Å; F70-T72 PolarHBondContact O-N 3.28Å; F70-V88 CarbonylContact O-C 3.57Å; F70-V88 VanDerWaalsContact O-CA 3.32Å; F70-V88 WeakPolarHBondContact O-CA 3.49Å; F70-F89 HydrophobicContact CB-CB 4.26Å; F70-F89 AromaticContact CD1-CD2 3.74Å; F70-F89 HydrophobicContact CD1-CD2 3.74Å; F70-F89 HydrophobicContact CD1-CE2 4.41Å; F70-F89 HydrophobicContact CE1-CD2 4.4Å; F70-F89 PolarHBondContact N-O 3.15Å; F70-F89 PolarHBondContact O-N 3Å; F70-E204 HydrophobicContact CD2-CB 3.85Å; F70-E204 HydrophobicContact CE2-CB 4.39Å; F70-P206 HydrophobicContact CE1-CG 4.11Å; F70-P206 HydrophobicContact CE2-CG 3.76Å; F70-P206 HydrophobicContact CZ-CG 3.36Å
71	V	95.9	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	111.7	179.4	-177.8	0	0	0	0	108.2	I69 V88 E204 V205 P206 S209 F241	I69-V71 HydrophobicContact CG2-CG2 4.3Å; V71-V88 HydrophobicContact CG2-CG1 4.13Å; V71-E204 PolarHBondContact N-O 2.93Å; V71-V205 HydrophobicContact CB-CB 4.4Å; V71-V205 HydrophobicContact CB-CG1 4.16Å; V71-V205 HydrophobicContact CB-CG2 3.95Å; V71-V205 HydrophobicContact CG1-CG1 4.27Å; V71-V205 HydrophobicContact CG2-CG2 3.79Å; V71-P206 WeakPolarHBondContact O-CD 3.4Å; V71-S209 PolarHBondContact O-OG 3.35Å; V71-F241 HydrophobicContact CG2-CE1 4.2Å; V71-F241 HydrophobicContact CG2-CZ 4.24Å
72	T	93.8	Very high	94.4	Very high	32 Å²	32	39 Å²	39	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-34.1	179.2	51.8	0	0	0	0	112.2	F70 D87 F89 S209	F70-T72 HydrophobicContact CD1-CG2 3.84Å; F70-T72 HydrophobicContact CE1-CG2 3.97Å; F70-T72 PolarHBondContact O-N 3.28Å; T72-D87 PolarHBondContact N-O 3.42Å; T72-D87 VanDerWaalsContact OG1-C 3.28Å; T72-D87 WeakPolarHBondContact OG1-CB 3.47Å; T72-D87 PolarHBondContact OG1-O 3.38Å; T72-F89 HydrophobicContact CG2-CD2 3.39Å; T72-F89 HydrophobicContact CG2-CE2 3.24Å; T72-F89 HydrophobicContact CG2-CG 4.17Å; T72-F89 HydrophobicContact CG2-CZ 3.93Å; T72-S209 WeakPolarHBondContact O-CB 3.41Å; T72-S209 PolarHBondContact O-OG 2.8Å
73	S	93.3	Very high	94.3	Very high	41 Å²	41	36.9 Å²	36.9	29%	0.287	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	135	177	179.4	0	0	0	0	109.3	D87 S209	S73-D87 PolarHBondContact N-O 3.05Å; S73-D87 PolarHBondContact O-N 3.23Å; S73-S209 WeakPolarHBondContact CA-O 3.38Å
74	F	93.2	Very high	94.3	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.2	168.6	-153	-72.6	0	0	0	108.3	V77 Y84 S209 L212 L217 F241 L243	F74-V77 HydrophobicContact CE1-CG2 4.12Å; F74-Y84 AromaticContact CE1-CD2 3.76Å; F74-Y84 HydrophobicContact CE1-CD2 3.76Å; F74-Y84 HydrophobicContact CE2-CD2 4.19Å; F74-Y84 HydrophobicContact CE2-CE2 4.17Å; F74-Y84 AromaticContact CZ-CD2 3.36Å; F74-Y84 HydrophobicContact CZ-CD2 3.36Å; F74-Y84 AromaticContact CZ-CE2 3.69Å; F74-Y84 HydrophobicContact CZ-CE2 3.69Å; F74-Y84 HydrophobicContact CZ-CG 4.37Å; F74-S209 PolarHBondContact N-O 3.08Å; F74-L212 HydrophobicContact CD1-CD1 3.72Å; F74-L212 HydrophobicContact CD1-CD2 3.89Å; F74-L212 HydrophobicContact CD1-CG 4.08Å; F74-L212 HydrophobicContact CE1-CD1 4.14Å; F74-L212 HydrophobicContact CE1-CD2 4.47Å; F74-L212 HydrophobicContact CG-CD1 4.31Å; F74-L217 HydrophobicContact CD2-CD2 4.39Å; F74-F241 HydrophobicContact CE2-CB 3.99Å; F74-F241 AromaticContact CE2-CD1 3.91Å; F74-F241 HydrophobicContact CE2-CD1 3.91Å; F74-F241 HydrophobicContact CE2-CD2 4.14Å; F74-F241 HydrophobicContact CE2-CE1 4.41Å; F74-F241 AromaticContact CE2-CG 3.75Å; F74-F241 HydrophobicContact CE2-CG 3.75Å; F74-F241 HydrophobicContact CZ-CB 4.27Å; F74-F241 HydrophobicContact CZ-CG 4.41Å; F74-L243 HydrophobicContact CE1-CD1 4.24Å; F74-L243 HydrophobicContact CE1-CD2 4.13Å; F74-L243 HydrophobicContact CZ-CD1 4.17Å; F74-L243 HydrophobicContact CZ-CD2 4Å
75	G	89.4	Confident	94.2	Very high	14 Å²	14	34.2 Å²	34.2	14%	0.144	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-175.6	-176	0	0	0	0	0	113.2	T85 L212	G75-T85 CarbonylContact C-O 3.54Å; G75-T85 WeakPolarHBondContact CA-O 3.44Å; G75-T85 PolarHBondContact N-O 3.4Å; G75-L212 WeakPolarHBondContact O-CD2 3.43Å
76	P	91.6	Very high	94	Very high	100 Å²	100	34.2 Å²	34.2	65%	0.649	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	150.2	-178.3	28.2	-34.9	0	0	0	112	T85	P76-T85 PolarHBondContact O-N 3.06Å
77	V	93.8	Very high	93.9	Very high	13 Å²	13	32 Å²	32	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.6	173.6	-179	0	0	0	0	107.6	F74 M165 L212 Y215 L243	F74-V77 HydrophobicContact CE1-CG2 4.12Å; V77-M165 HydrophobicContact CG1-CE 3.31Å; V77-L212 HydrophobicContact CG2-CD2 4.15Å; V77-Y215 HydrophobicContact CB-CD2 3.9Å; V77-Y215 HydrophobicContact CB-CE2 3.77Å; V77-Y215 HydrophobicContact CG1-CD2 4.23Å; V77-Y215 HydrophobicContact CG1-CE2 3.68Å; V77-Y215 HydrophobicContact CG2-CD2 4.09Å; V77-Y215 HydrophobicContact CG2-CE2 4.38Å; V77-L243 HydrophobicContact CG2-CD1 3.91Å
78	S	93.2	Very high	93.8	Very high	35 Å²	35	32 Å²	32	25%	0.245	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105.8	178.9	-177.8	0	0	0	0	109.5	V80 E81 M82 E83	S78-V80 VanDerWaalsContact C-N 3.26Å; S78-V80 PolarHBondContact O-N 2.79Å; S78-E81 PolarHBondContact OG-N 2.89Å; S78-E81 PolarHBondContact OG-OE2 3.29Å; S78-M82 WeakPolarHBondContact O-CA 3.41Å; S78-M82 PolarHBondContact O-N 2.8Å; S78-E83 PolarHBondContact N-O 3.24Å; S78-E83 PolarHBondContact O-N 3.25Å; S78-E83 VanDerWaalsContact O-N 3.14Å
79	D	91.8	Very high	93.9	Very high	14 Å²	14	35 Å²	35	8%	0.075	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.1	177.2	-58.7	-17.9	0	0	0	111.7	Y215 R245 P302	D79-Y215 PolarHBondContact OD1-OH 3.05Å; D79-R245 IonicContact OD1-NH1 3.34Å; D79-R245 IonicContact OD1-NH2 3.76Å; D79-R245 IonicContact OD2-CZ 2.67Å; D79-R245 IonicContact OD2-NH1 3.97Å; D79-R245 PolarHBondContact OD2-NH1 2.71Å; D79-R245 IonicContact OD2-NH2 2.95Å; D79-R245 PolarHBondContact OD2-NH2 3.34Å; D79-P302 VanDerWaalsContact O-CG 3.31Å; D79-P302 WeakPolarHBondContact O-CG 3.33Å
80	V	91.1	Very high	93.9	Very high	96 Å²	96	35 Å²	35	58%	0.582	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-43.6	-177.6	-179.9	0	0	0	0	111.4	S78	S78-V80 VanDerWaalsContact C-N 3.26Å; S78-V80 PolarHBondContact O-N 2.79Å
81	E	92.3	Very high	94	Very high	113 Å²	113	35.7 Å²	35.7	53%	0.528	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.6	-179	-66	171	149.8	0	0	112.8	S78 E83 K129	S78-E81 PolarHBondContact OG-N 2.89Å; S78-E81 PolarHBondContact OG-OE2 3.29Å; E81-E83 VanDerWaalsContact C-N 3.33Å; E81-E83 HydrophobicContact CB-CG 3.77Å; E81-E83 PolarHBondContact O-N 2.69Å; E81-K129 PolarHBondContact O-NZ 2.91Å
82	M	92.9	Very high	94	Very high	52 Å²	52	35.8 Å²	35.8	26%	0.256	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	50.3	-177.3	-65.5	-175.3	173.2	0	0	111.8	S78 C163 P302	S78-M82 WeakPolarHBondContact O-CA 3.41Å; S78-M82 PolarHBondContact O-N 2.8Å; M82-C163 CarbonylContact C-O 3.55Å; M82-C163 CarbonylContact O-C 3.58Å; M82-C163 PolarHBondContact O-N 3.38Å; M82-P302 HydrophobicContact CE-CG 4.49Å
83	E	94.9	Very high	94.2	Very high	27 Å²	27	35 Å²	35	13%	0.126	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.3	-176.1	68.9	-174.7	-138.7	0	0	112.2	S78 E81 K129 N160 A161	S78-E83 PolarHBondContact N-O 3.24Å; S78-E83 PolarHBondContact O-N 3.25Å; S78-E83 VanDerWaalsContact O-N 3.14Å; E81-E83 VanDerWaalsContact C-N 3.33Å; E81-E83 HydrophobicContact CB-CG 3.77Å; E81-E83 PolarHBondContact O-N 2.69Å; E83-K129 VanDerWaalsContact OE2-CD 3.28Å; E83-K129 WeakPolarHBondContact OE2-CD 3.34Å; E83-K129 IonicContact OE2-NZ 3.44Å; E83-K129 PolarHBondContact OE2-NZ 2.95Å; E83-N160 WeakPolarHBondContact CB-OD1 3.24Å; E83-N160 VanDerWaalsContact CD-ND2 3.33Å; E83-N160 PolarHBondContact OE1-ND2 3.2Å; E83-N160 PolarHBondContact OE1-OD1 2.85Å; E83-A161 VanDerWaalsContact CA-O 3.28Å; E83-A161 WeakPolarHBondContact CA-O 3.45Å; E83-A161 WeakPolarHBondContact CB-O 3.43Å
84	Y	95	Very high	94.4	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.8	178.3	69.8	-72	0	0	0	110	F74 M86 N160 A161 C163 C177 P178 F241	F74-Y84 AromaticContact CE1-CD2 3.76Å; F74-Y84 HydrophobicContact CE1-CD2 3.76Å; F74-Y84 HydrophobicContact CE2-CD2 4.19Å; F74-Y84 HydrophobicContact CE2-CE2 4.17Å; F74-Y84 AromaticContact CZ-CD2 3.36Å; F74-Y84 HydrophobicContact CZ-CD2 3.36Å; F74-Y84 AromaticContact CZ-CE2 3.69Å; F74-Y84 HydrophobicContact CZ-CE2 3.69Å; F74-Y84 HydrophobicContact CZ-CG 4.37Å; Y84-M86 HydrophobicContact CD2-CE 4.04Å; Y84-M86 HydrophobicContact CE2-CE 3.14Å; Y84-M86 HydrophobicContact CE2-SD 4.49Å; Y84-M86 WeakPolarHBondContact OH-CE 3.49Å; Y84-N160 WeakPolarHBondContact O-CA 3.38Å; Y84-N160 PolarHBondContact O-OD1 3.42Å; Y84-A161 HydrophobicContact CD1-CB 4.3Å; Y84-A161 WeakPolarHBondContact CD1-O 3.48Å; Y84-A161 HydrophobicContact CE1-CB 3.66Å; Y84-A161 PolarHBondContact N-O 2.87Å; Y84-A161 PolarHBondContact O-N 3.37Å; Y84-C163 HydrophobicContact CD1-CB 3.63Å; Y84-C163 HydrophobicContact CE1-CB 3.92Å; Y84-C177 HydrophobicContact CD1-CB 4.13Å; Y84-C177 HydrophobicContact CE1-CB 3.8Å; Y84-P178 VanDerWaalsContact OH-C 3.27Å; Y84-P178 PolarHBondContact OH-O 2.96Å; Y84-F241 HydrophobicContact CE2-CD2 4.12Å
85	T	94.6	Very high	94.6	Very high	39 Å²	39	37.7 Å²	37.7	24%	0.239	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.5	178.8	-58.8	0	0	0	0	110.3	G75 P76 T158 I159	G75-T85 CarbonylContact C-O 3.54Å; G75-T85 WeakPolarHBondContact CA-O 3.44Å; G75-T85 PolarHBondContact N-O 3.4Å; P76-T85 PolarHBondContact O-N 3.06Å; T85-T158 HydrophobicContact CG2-CG2 3.59Å; T85-I159 CarbonylContact C-O 3.37Å; T85-I159 WeakPolarHBondContact CA-O 3.46Å
86	M	94.5	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.6	170.4	70.7	-177.9	101.5	0	0	111.3	Y84 V88 T158 I159 L179 F241	Y84-M86 HydrophobicContact CD2-CE 4.04Å; Y84-M86 HydrophobicContact CE2-CE 3.14Å; Y84-M86 HydrophobicContact CE2-SD 4.49Å; Y84-M86 WeakPolarHBondContact OH-CE 3.49Å; M86-V88 HydrophobicContact CG-CG1 3.85Å; M86-V88 HydrophobicContact SD-CG1 3.74Å; M86-T158 CarbonylContact O-C 3.56Å; M86-T158 WeakPolarHBondContact O-CA 3.44Å; M86-I159 HydrophobicContact CG-CB 4.16Å; M86-I159 PolarHBondContact N-O 2.9Å; M86-I159 PolarHBondContact O-N 3.28Å; M86-L179 HydrophobicContact CE-CB 4.29Å; M86-L179 HydrophobicContact CE-CD1 3.77Å; M86-L179 HydrophobicContact CE-CD2 3.79Å; M86-L179 HydrophobicContact CE-CG 4.15Å; M86-L179 HydrophobicContact SD-CD2 3.86Å; M86-F241 HydrophobicContact CE-CE2 4.05Å; M86-F241 HydrophobicContact SD-CE2 4.09Å; M86-F241 HydrophobicContact SD-CZ 4.28Å
87	D	95	Very high	95	Very high	34 Å²	34	38.7 Å²	38.7	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.4	168.7	-73.5	-10.6	0	0	0	109.3	T72 S73 R156 L157 T158	T72-D87 PolarHBondContact N-O 3.42Å; T72-D87 VanDerWaalsContact OG1-C 3.28Å; T72-D87 WeakPolarHBondContact OG1-CB 3.47Å; T72-D87 PolarHBondContact OG1-O 3.38Å; S73-D87 PolarHBondContact N-O 3.05Å; S73-D87 PolarHBondContact O-N 3.23Å; D87-R156 IonicContact OD2-NH2 3.68Å; D87-L157 WeakPolarHBondContact CA-O 3.35Å; D87-T158 VanDerWaalsContact OD1-CB 3.27Å; D87-T158 WeakPolarHBondContact OD1-CB 3.36Å; D87-T158 WeakPolarHBondContact OD1-CG2 3.48Å; D87-T158 PolarHBondContact OD1-OG1 2.94Å
88	V	96	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.8	-177.3	-57.3	0	0	0	0	112	I69 F70 V71 M86 F90 R156 L157 I159	I69-V88 HydrophobicContact CG2-CB 3.99Å; I69-V88 HydrophobicContact CG2-CG1 3.93Å; F70-V88 CarbonylContact O-C 3.57Å; F70-V88 VanDerWaalsContact O-CA 3.32Å; F70-V88 WeakPolarHBondContact O-CA 3.49Å; V71-V88 HydrophobicContact CG2-CG1 4.13Å; M86-V88 HydrophobicContact CG-CG1 3.85Å; M86-V88 HydrophobicContact SD-CG1 3.74Å; V88-F90 HydrophobicContact CG2-CB 4.42Å; V88-R156 WeakPolarHBondContact O-CA 3.4Å; V88-L157 HydrophobicContact CG2-CB 4.09Å; V88-L157 PolarHBondContact N-O 2.72Å; V88-L157 PolarHBondContact O-N 2.77Å; V88-I159 HydrophobicContact CG2-CD1 3.62Å; V88-I159 HydrophobicContact CG2-CG1 4.46Å
89	F	96.6	Very high	95.1	Very high	70 Å²	70	40.7 Å²	40.7	31%	0.307	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.9	151.7	-63.8	-57.7	0	0	0	108.4	F70 T72 T154 M155 R156	F70-F89 HydrophobicContact CB-CB 4.26Å; F70-F89 AromaticContact CD1-CD2 3.74Å; F70-F89 HydrophobicContact CD1-CD2 3.74Å; F70-F89 HydrophobicContact CD1-CE2 4.41Å; F70-F89 HydrophobicContact CE1-CD2 4.4Å; F70-F89 PolarHBondContact N-O 3.15Å; F70-F89 PolarHBondContact O-N 3Å; T72-F89 HydrophobicContact CG2-CD2 3.39Å; T72-F89 HydrophobicContact CG2-CE2 3.24Å; T72-F89 HydrophobicContact CG2-CG 4.17Å; T72-F89 HydrophobicContact CG2-CZ 3.93Å; F89-T154 HydrophobicContact CB-CG2 4.11Å; F89-M155 WeakPolarHBondContact CA-O 3.46Å; F89-R156 HydrophobicContact CD1-CB 3.84Å; F89-R156 HydrophobicContact CD1-CG 4.04Å; F89-R156 HydrophobicContact CE1-CB 3.75Å; F89-R156 HydrophobicContact CE1-CG 3.76Å
90	F	97.3	Very high	95.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.1	175.5	-169.7	-106.5	0	0	0	108.9	T67 I69 V88 Q92 T123 F125 T154 M155 L157 F181	T67-F90 HydrophobicContact CG2-CZ 4.3Å; I69-F90 HydrophobicContact CD1-CD2 4.2Å; I69-F90 HydrophobicContact CD1-CE2 4.12Å; I69-F90 HydrophobicContact CG1-CD2 3.93Å; I69-F90 HydrophobicContact CG1-CE2 4.09Å; V88-F90 HydrophobicContact CG2-CB 4.42Å; F90-Q92 HydrophobicContact CD1-CG 3.9Å; F90-Q92 VanDerWaalsContact CE1-CD 3.48Å; F90-Q92 HydrophobicContact CE1-CG 3.55Å; F90-Q92 HydrophobicContact CZ-CG 4.38Å; F90-T123 HydrophobicContact CE1-CG2 3.85Å; F90-T123 HydrophobicContact CZ-CG2 3.78Å; F90-F125 HydrophobicContact CD2-CZ 4.12Å; F90-F125 HydrophobicContact CE2-CE1 4.48Å; F90-F125 HydrophobicContact CE2-CZ 4.26Å; F90-F125 HydrophobicContact CG-CZ 4.48Å; F90-T154 VanDerWaalsContact O-CA 3.32Å; F90-T154 WeakPolarHBondContact O-CA 3.5Å; F90-M155 HydrophobicContact CB-CG 3.96Å; F90-M155 HydrophobicContact CD1-CG 4.46Å; F90-M155 PolarHBondContact N-O 2.97Å; F90-M155 PolarHBondContact O-N 3.35Å; F90-L157 HydrophobicContact CB-CD1 4.1Å; F90-F181 HydrophobicContact CE2-CD1 4.48Å; F90-F181 HydrophobicContact CE2-CD2 4.09Å; F90-F181 HydrophobicContact CE2-CE1 4.34Å; F90-F181 AromaticContact CE2-CE2 3.93Å; F90-F181 HydrophobicContact CE2-CE2 3.93Å; F90-F181 HydrophobicContact CE2-CG 4.35Å; F90-F181 HydrophobicContact CE2-CZ 4.05Å; F90-F181 AromaticContact CZ-CD2 3.81Å; F90-F181 HydrophobicContact CZ-CD2 3.81Å; F90-F181 AromaticContact CZ-CE2 3.79Å; F90-F181 HydrophobicContact CZ-CE2 3.79Å; F90-F181 HydrophobicContact CZ-CG 4.41Å; F90-F181 HydrophobicContact CZ-CZ 4.37Å
91	R	97.3	Very high	95.3	Very high	64 Å²	64	41 Å²	41	24%	0.242	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.9	-176.2	-47.3	-155.9	-173.7	116.4	-6.4	111	T67 D68 Y153 T154	T67-R91 WeakPolarHBondContact CA-O 3.44Å; D68-R91 PolarHBondContact N-O 3.42Å; D68-R91 VanDerWaalsContact N-O 3.09Å; D68-R91 WeakPolarHBondContact O-CB 3.19Å; D68-R91 PolarHBondContact O-N 3.34Å; D68-R91 WeakPolarHBondContact OD1-CB 3.49Å; D68-R91 WeakPolarHBondContact OD2-CD 3.36Å; D68-R91 WeakPolarHBondContact OD2-CG 3.23Å; D68-R91 IonicContact OD2-CZ 3.48Å; D68-R91 IonicContact OD2-NE 3.84Å; D68-R91 IonicContact OD2-NH1 2.92Å; D68-R91 PolarHBondContact OD2-NH1 2.94Å; R91-Y153 WeakPolarHBondContact CA-O 3.49Å; R91-T154 WeakPolarHBondContact CD-OG1 3.36Å; R91-T154 HydrophobicContact CG-CG2 3.83Å; R91-T154 WeakPolarHBondContact CG-OG1 3.31Å
92	Q	97.6	Very high	95.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.2	-179.8	-53.6	-172.7	-86.6	0	0	109.1	V65 K66 T67 F90 W94 T123 Y153	V65-Q92 HydrophobicContact CG1-CB 4.19Å; K66-Q92 CarbonylContact O-C 3.55Å; K66-Q92 WeakPolarHBondContact O-CA 3.41Å; T67-Q92 HydrophobicContact CG2-CG 4.33Å; F90-Q92 HydrophobicContact CD1-CG 3.9Å; F90-Q92 VanDerWaalsContact CE1-CD 3.48Å; F90-Q92 HydrophobicContact CE1-CG 3.55Å; F90-Q92 HydrophobicContact CZ-CG 4.38Å; Q92-W94 HydrophobicContact CB-CE3 4.29Å; Q92-W94 HydrophobicContact CB-CZ3 4.06Å; Q92-T123 PolarHBondContact NE2-OG1 2.87Å; Q92-Y153 PolarHBondContact N-O 3.17Å; Q92-Y153 PolarHBondContact O-N 3.23Å
93	T	97.6	Very high	94.7	Very high	16 Å²	16	42.9 Å²	42.9	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	123.4	178.1	-54.9	0	0	0	0	109.4	K66 T150 I151 K196	K66-T93 PolarHBondContact N-O 2.92Å; K66-T93 PolarHBondContact O-N 2.77Å; T93-T150 HydrophobicContact CG2-CG2 3.5Å; T93-T150 VanDerWaalsContact CG2-CG2 3.5Å; T93-I151 WeakPolarHBondContact CA-O 3.37Å; T93-I151 WeakPolarHBondContact CG2-O 3.38Å; T93-K196 PolarHBondContact OG1-NZ 2.86Å; T93-K196 VanDerWaalsContact OG1-NZ 3.17Å
94	W	97.3	Very high	94.1	Very high	3 Å²	3	46 Å²	46	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	169.4	174.3	68.6	96	0	0	0	109.6	V65 Q92 W119 T120 P121 I151 Y153	V65-W94 HydrophobicContact CG2-CB 4.33Å; Q92-W94 HydrophobicContact CB-CE3 4.29Å; Q92-W94 HydrophobicContact CB-CZ3 4.06Å; W94-W119 HydrophobicContact CD2-CZ3 4.48Å; W94-W119 HydrophobicContact CG-CZ3 4.44Å; W94-W119 WeakPolarHBondContact CZ2-O 3.4Å; W94-W119 AromaticContact NE1-CE3 3.89Å; W94-W119 AromaticContact NE1-CZ3 3.87Å; W94-T120 HydrophobicContact CH2-CG2 4.18Å; W94-T120 HydrophobicContact CZ2-CG2 4.42Å; W94-P121 HydrophobicContact CE3-CG 4.29Å; W94-P121 HydrophobicContact CZ3-CG 4.11Å; W94-I151 HydrophobicContact CD2-CB 4.24Å; W94-I151 HydrophobicContact CD2-CG2 4.31Å; W94-I151 HydrophobicContact CE3-CG2 4.38Å; W94-I151 HydrophobicContact CH2-CG2 3.64Å; W94-I151 HydrophobicContact CZ2-CB 4.13Å; W94-I151 HydrophobicContact CZ2-CD1 4.07Å; W94-I151 HydrophobicContact CZ2-CG2 3.53Å; W94-I151 HydrophobicContact CZ3-CG2 4.08Å; W94-I151 PolarHBondContact N-O 3.42Å; W94-I151 PolarHBondContact O-N 3.28Å; W94-Y153 HydrophobicContact CH2-CD1 4.21Å; W94-Y153 HydrophobicContact CH2-CG 4.23Å; W94-Y153 HydrophobicContact CZ3-CD1 4.26Å; W94-Y153 HydrophobicContact CZ3-CG 4.34Å
95	I	96.7	Very high	93.7	Very high	97 Å²	97	47.6 Å²	47.6	50%	0.497	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.1	177.5	-62.7	162.6	0	0	0	108.1
96	D	96.3	Very high	93.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.256	C	S	.	.			trans	-120.8	110.2	168.5	-168.4	-15.6	0	0	0	109.1	Y50 P56 R98 L99 G149 I151	Y50-D96 WeakPolarHBondContact CE2-OD2 3.24Å; Y50-D96 PolarHBondContact OH-OD2 3.48Å; P56-D96 HydrophobicContact CB-CB 4.09Å; P56-D96 HydrophobicContact CG-CB 3.85Å; D96-R98 PolarHBondContact O-N 3.13Å; D96-R98 WeakPolarHBondContact OD1-CB 3.47Å; D96-R98 IonicContact OD1-CZ 3.79Å; D96-R98 PolarHBondContact OD1-N 3.41Å; D96-R98 VanDerWaalsContact OD1-N 3.14Å; D96-R98 IonicContact OD1-NE 3.64Å; D96-R98 PolarHBondContact OD1-NE 2.6Å; D96-R98 IonicContact OD1-NH2 3.72Å; D96-R98 IonicContact OD2-CZ 2.8Å; D96-R98 IonicContact OD2-NE 2.86Å; D96-R98 PolarHBondContact OD2-NE 3.04Å; D96-R98 IonicContact OD2-NH2 3.53Å; D96-R98 PolarHBondContact OD2-NH2 3.48Å; D96-L99 HydrophobicContact CB-CB 4.47Å; D96-L99 HydrophobicContact CB-CD1 4.19Å; D96-L99 HydrophobicContact CB-CG 4.47Å; D96-L99 PolarHBondContact O-N 3.09Å; D96-L99 VanDerWaalsContact O-N 3.14Å; D96-G149 PolarHBondContact N-O 3.23Å; D96-G149 WeakPolarHBondContact O-CA 3.37Å; D96-I151 HydrophobicContact CB-CD1 3.73Å
97	E	93.9	Very high	93.3	Very high	134 Å²	134	54.7 Å²	54.7	63%	0.626	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-66.4	-25	-176.2	-54.4	-156.5	117.1	0	0	113.2	L99 K100	E97-L99 PolarHBondContact O-N 3.03Å; E97-K100 HydrophobicContact CB-CD 4.39Å; E97-K100 WeakPolarHBondContact O-CB 3.4Å; E97-K100 WeakPolarHBondContact O-CG 3.43Å; E97-K100 PolarHBondContact O-N 3.32Å; E97-K100 IonicContact OE1-NZ 2.96Å; E97-K100 PolarHBondContact OE1-NZ 2.94Å
98	R	94.6	Very high	93.1	Very high	91 Å²	91	53.3 Å²	53.3	34%	0.343	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-68	-20.5	177.8	-58.5	171.8	-68.3	178.8	1.3	112.2	Y50 D51 L54 D96	Y50-R98 HydrophobicContact CD2-CB 4Å; Y50-R98 HydrophobicContact CE2-CB 3.96Å; Y50-R98 PolarHBondContact OH-NH2 2.94Å; Y50-R98 VanDerWaalsContact OH-NH2 3.1Å; D51-R98 PolarHBondContact O-NH1 2.95Å; L54-R98 PolarHBondContact O-NH1 3.15Å; L54-R98 PolarHBondContact O-NH2 3.46Å; L54-R98 VanDerWaalsContact O-NH2 3.14Å; D96-R98 PolarHBondContact O-N 3.13Å; D96-R98 WeakPolarHBondContact OD1-CB 3.47Å; D96-R98 IonicContact OD1-CZ 3.79Å; D96-R98 PolarHBondContact OD1-N 3.41Å; D96-R98 VanDerWaalsContact OD1-N 3.14Å; D96-R98 IonicContact OD1-NE 3.64Å; D96-R98 PolarHBondContact OD1-NE 2.6Å; D96-R98 IonicContact OD1-NH2 3.72Å; D96-R98 IonicContact OD2-CZ 2.8Å; D96-R98 IonicContact OD2-NE 2.86Å; D96-R98 PolarHBondContact OD2-NE 3.04Å; D96-R98 IonicContact OD2-NH2 3.53Å; D96-R98 PolarHBondContact OD2-NH2 3.48Å
99	L	94.3	Very high	92.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-102.1	15.2	-178.4	-65.2	171.4	0	0	0	112.8	L46 Y50 D96 E97 I118 I145 I151	L46-L99 HydrophobicContact CB-CD2 4.4Å; L46-L99 HydrophobicContact CD2-CB 4.29Å; L46-L99 HydrophobicContact CD2-CD2 4.06Å; L46-L99 WeakPolarHBondContact CD2-O 3.25Å; Y50-L99 HydrophobicContact CD2-CD2 3.98Å; Y50-L99 HydrophobicContact CD2-CG 4.24Å; Y50-L99 HydrophobicContact CE2-CD1 3.91Å; Y50-L99 HydrophobicContact CE2-CD2 3.93Å; Y50-L99 HydrophobicContact CE2-CG 3.74Å; D96-L99 HydrophobicContact CB-CB 4.47Å; D96-L99 HydrophobicContact CB-CD1 4.19Å; D96-L99 HydrophobicContact CB-CG 4.47Å; D96-L99 PolarHBondContact O-N 3.09Å; D96-L99 VanDerWaalsContact O-N 3.14Å; E97-L99 PolarHBondContact O-N 3.03Å; L99-I118 HydrophobicContact CD1-CG2 4.08Å; L99-I145 HydrophobicContact CB-CG2 4.38Å; L99-I151 HydrophobicContact CD1-CD1 3.58Å
100	K	93.9	Very high	92.5	Very high	99 Å²	99	59.5 Å²	59.5	43%	0.43	28%	0.283	S	S	.	.			trans	-67.1	137.1	167.5	-72.3	173	-175.6	169.1	0	109.2	E97 N148	E97-K100 HydrophobicContact CB-CD 4.39Å; E97-K100 WeakPolarHBondContact O-CB 3.4Å; E97-K100 WeakPolarHBondContact O-CG 3.43Å; E97-K100 PolarHBondContact O-N 3.32Å; E97-K100 IonicContact OE1-NZ 2.96Å; E97-K100 PolarHBondContact OE1-NZ 2.94Å; K100-N148 WeakPolarHBondContact CE-O 3.43Å; K100-N148 WeakPolarHBondContact CG-O 3.2Å
101	F	91.9	Very high	92.1	Very high	18 Å²	18	64.3 Å²	64.3	8%	0.079	31%	0.309	C	S	.	.			trans	-139.7	158.5	176.6	65	-83.3	0	0	0	110.1	I42 L46 I105 L108 I145 Q147	I42-F101 HydrophobicContact CG2-CB 4.03Å; I42-F101 HydrophobicContact CG2-CD2 4.07Å; I42-F101 HydrophobicContact CG2-CG 4.2Å; L46-F101 HydrophobicContact CD1-CB 4.12Å; L46-F101 HydrophobicContact CD1-CD1 4.21Å; L46-F101 HydrophobicContact CD1-CG 4.3Å; L46-F101 HydrophobicContact CD2-CB 4.1Å; L46-F101 HydrophobicContact CG-CB 4.26Å; F101-I105 VanDerWaalsContact CE2-O 3.29Å; F101-I105 WeakPolarHBondContact CE2-O 3.44Å; F101-L108 HydrophobicContact CD1-CD1 3.91Å; F101-L108 HydrophobicContact CD2-CD1 4.25Å; F101-L108 HydrophobicContact CE1-CD1 3.57Å; F101-L108 HydrophobicContact CE1-CG 3.9Å; F101-L108 HydrophobicContact CE2-CD1 3.94Å; F101-L108 HydrophobicContact CE2-CD2 4.44Å; F101-L108 HydrophobicContact CE2-CG 3.95Å; F101-L108 HydrophobicContact CG-CD1 4.26Å; F101-L108 HydrophobicContact CZ-CD1 3.61Å; F101-L108 HydrophobicContact CZ-CD2 4.42Å; F101-L108 HydrophobicContact CZ-CG 3.51Å; F101-I145 HydrophobicContact CD1-CG2 4.36Å; F101-I145 HydrophobicContact CE1-CB 4.49Å; F101-I145 HydrophobicContact CE1-CG2 4.03Å; F101-Q147 HydrophobicContact CE2-CG 4.32Å; F101-Q147 HydrophobicContact CZ-CB 4.2Å; F101-Q147 HydrophobicContact CZ-CG 4.43Å; F101-Q147 PolarHBondContact N-O 2.88Å; F101-Q147 WeakPolarHBondContact O-CG 3.36Å
102	E	89	Confident	91.6	Very high	178 Å²	178	62.4 Å²	62.4	83%	0.832	30%	0.304	S	S	*	.			trans	-112.6	128.4	168.7	-67.8	-175.3	174.5	0	0	108.4
103	G	84.1	Confident	91.1	Very high	26 Å²	26	67.9 Å²	67.9	27%	0.268	33%	0.332	S	S	.	.	S	Bend	trans	-169.9	173.5	-178	0	0	0	0	0	112	I105	G103-I105 PolarHBondContact O-N 3.05Å
104	P	83.6	Confident	90.7	Very high	92 Å²	92	68.1 Å²	68.1	60%	0.597	33%	0.332	S	S	*	.	S	Bend	trans	-72.6	-9.1	-178.8	29.4	-34.3	0	0	0	113.4	Y35	Y35-P104 HydrophobicContact CE2-CG 4.26Å
105	I	85.9	Confident	90.4	Very high	34 Å²	34	68.3 Å²	68.3	17%	0.174	33%	0.334	C	S	.	.			trans	-115.2	130.7	-177.5	-41.1	176.2	0	0	0	109.6	Y35 I39 F101 G103 I107 L108	Y35-I105 HydrophobicContact CE1-CD1 4.26Å; Y35-I105 HydrophobicContact CE2-CD1 4.26Å; Y35-I105 HydrophobicContact CE2-CG1 4.19Å; Y35-I105 WeakPolarHBondContact OH-CD1 3.41Å; Y35-I105 VanDerWaalsContact OH-CG1 3.25Å; Y35-I105 WeakPolarHBondContact OH-CG1 3.5Å; I39-I105 HydrophobicContact CD1-CD1 3.4Å; I39-I105 HydrophobicContact CD1-CG1 4.06Å; I39-I105 HydrophobicContact CG1-CD1 4.05Å; F101-I105 VanDerWaalsContact CE2-O 3.29Å; F101-I105 WeakPolarHBondContact CE2-O 3.44Å; G103-I105 PolarHBondContact O-N 3.05Å; I105-I107 WeakPolarHBondContact CG2-O 3.38Å; I105-L108 HydrophobicContact CD1-CD2 4.38Å
106	E	88.1	Confident	90	Very high	144 Å²	144	68 Å²	68	67%	0.673	34%	0.34	S	S	*	.	S	Bend	trans	-73.5	-30.5	176.1	-62.8	-178.8	171.5	0	0	113.5	M146 Q147	E106-M146 CarbonylContact O-C 3.52Å; E106-M146 WeakPolarHBondContact O-CA 3.29Å; E106-Q147 PolarHBondContact O-N 3.33Å
107	I	92.4	Very high	89.8	Confident	45 Å²	45	73.8 Å²	73.8	23%	0.231	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	112.4	-174.2	-52.5	177.2	0	0	0	110.9	I105 R109 R144 I145 M146	I105-I107 WeakPolarHBondContact CG2-O 3.38Å; I107-R109 HydrophobicContact CG2-CG 4.42Å; I107-R109 PolarHBondContact O-N 3.1Å; I107-R109 PolarHBondContact O-NH1 2.8Å; I107-R144 HydrophobicContact CG2-CB 4.04Å; I107-R144 HydrophobicContact CG2-CG 4.42Å; I107-I145 WeakPolarHBondContact CA-O 3.49Å; I107-M146 HydrophobicContact CG1-CG 4.39Å
108	L	91.1	Very high	89.8	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.9	169.7	-64.9	174.1	0	0	0	109.5	I39 I42 L43 L46 F101 I105 L110 R144 I145	I39-L108 HydrophobicContact CD1-CD2 4.2Å; I39-L108 HydrophobicContact CG2-CD2 4.38Å; I42-L108 HydrophobicContact CG2-CD1 4.5Å; L43-L108 HydrophobicContact CD2-CD1 4.34Å; L46-L108 HydrophobicContact CD1-CD1 4.02Å; F101-L108 HydrophobicContact CD1-CD1 3.91Å; F101-L108 HydrophobicContact CD2-CD1 4.25Å; F101-L108 HydrophobicContact CE1-CD1 3.57Å; F101-L108 HydrophobicContact CE1-CG 3.9Å; F101-L108 HydrophobicContact CE2-CD1 3.94Å; F101-L108 HydrophobicContact CE2-CD2 4.44Å; F101-L108 HydrophobicContact CE2-CG 3.95Å; F101-L108 HydrophobicContact CG-CD1 4.26Å; F101-L108 HydrophobicContact CZ-CD1 3.61Å; F101-L108 HydrophobicContact CZ-CD2 4.42Å; F101-L108 HydrophobicContact CZ-CG 3.51Å; I105-L108 HydrophobicContact CD1-CD2 4.38Å; L108-L110 HydrophobicContact CB-CD1 4.41Å; L108-L110 HydrophobicContact CB-CD2 4.17Å; L108-L110 HydrophobicContact CB-CG 4.15Å; L108-R144 VanDerWaalsContact O-CA 3.27Å; L108-R144 WeakPolarHBondContact O-CA 3.47Å; L108-I145 HydrophobicContact CB-CB 4.4Å; L108-I145 PolarHBondContact N-O 3.37Å; L108-I145 PolarHBondContact O-N 2.82Å
109	R	91.4	Very high	89.9	Confident	168 Å²	168	63.7 Å²	63.7	63%	0.634	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	103.9	175.6	-62.4	174.2	-174.2	77.6	-4.3	107.8	I107 R144	I107-R109 HydrophobicContact CG2-CG 4.42Å; I107-R109 PolarHBondContact O-N 3.1Å; I107-R109 PolarHBondContact O-NH1 2.8Å; R109-R144 HydrophobicContact CG-CG 4.38Å
110	L	89.1	Confident	90	Very high	32 Å²	32	66 Å²	66	17%	0.168	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	155.3	-169.1	-56.8	176.6	0	0	0	111.3	L43 L108 M114 F143 I145	L43-L110 HydrophobicContact CD1-CD2 4.16Å; L43-L110 HydrophobicContact CD2-CD1 3.91Å; L43-L110 HydrophobicContact CD2-CD2 3.76Å; L108-L110 HydrophobicContact CB-CD1 4.41Å; L108-L110 HydrophobicContact CB-CD2 4.17Å; L108-L110 HydrophobicContact CB-CG 4.15Å; L110-M114 HydrophobicContact CB-CB 4.12Å; L110-M114 HydrophobicContact CB-CG 4.41Å; L110-M114 HydrophobicContact CD1-CB 4.37Å; L110-M114 HydrophobicContact CD1-CE 4.32Å; L110-M114 HydrophobicContact CD1-CG 3.75Å; L110-M114 HydrophobicContact CD1-SD 4.49Å; L110-F143 HydrophobicContact CB-CD1 4.21Å; L110-F143 HydrophobicContact CD1-CD1 4.24Å; L110-F143 HydrophobicContact CD1-CE1 4.36Å; L110-F143 PolarHBondContact N-O 2.89Å; L110-I145 HydrophobicContact CD1-CD1 3.65Å; L110-I145 HydrophobicContact CD1-CG1 4.02Å
111	N	88.8	Confident	90.1	Very high	102 Å²	102	61.7 Å²	61.7	55%	0.545	32%	0.319	S	S	.	.			trans	-72.6	160.7	176.3	-162.6	5.9	0	0	0	111.2	L113 M114	N111-L113 PolarHBondContact O-N 2.82Å; N111-L113 VanDerWaalsContact O-N 3.09Å; N111-M114 WeakPolarHBondContact O-CB 3.35Å; N111-M114 PolarHBondContact O-N 3.01Å
112	N	86.6	Confident	90.3	Very high	25 Å²	25	63 Å²	63	13%	0.134	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-55.5	-27.2	178.2	73.3	-46.7	0	0	0	113.6	M114 V115 P139 K141	N112-M114 PolarHBondContact O-N 2.88Å; N112-V115 VanDerWaalsContact O-CB 3.3Å; N112-V115 WeakPolarHBondContact O-CB 3.31Å; N112-V115 WeakPolarHBondContact O-CG2 3.49Å; N112-V115 PolarHBondContact O-N 3.1Å; N112-V115 VanDerWaalsContact O-N 3.12Å; N112-P139 HydrophobicContact CB-CB 4.4Å; N112-P139 WeakPolarHBondContact ND2-CB 3.38Å; N112-P139 WeakPolarHBondContact ND2-CD 3.38Å; N112-P139 WeakPolarHBondContact ND2-CG 3.27Å; N112-K141 HydrophobicContact CB-CB 4.13Å
113	L	87.4	Confident	90.6	Very high	116 Å²	116	56 Å²	56	61%	0.607	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26.5	177.7	-62.5	178.4	0	0	0	113.3	N111 V115 S116	N111-L113 PolarHBondContact O-N 2.82Å; N111-L113 VanDerWaalsContact O-N 3.09Å; L113-V115 VanDerWaalsContact C-N 3.28Å; L113-S116 PolarHBondContact O-OG 2.96Å; L113-S116 VanDerWaalsContact O-OG 3.08Å
114	M	89.1	Confident	91.2	Very high	20 Å²	20	57.6 Å²	57.6	10%	0.099	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-69.4	-30.5	176	-173.8	67.8	173.2	0	0	111.8	L43 L47 L110 N111 N112 S116 K117 I118 F143	L43-M114 HydrophobicContact CD2-CE 4.5Å; L47-M114 HydrophobicContact CD1-CE 3.9Å; L47-M114 HydrophobicContact CD1-SD 3.95Å; L47-M114 HydrophobicContact CD2-CE 3.52Å; L47-M114 HydrophobicContact CD2-SD 4.31Å; L47-M114 HydrophobicContact CG-CE 3.77Å; L47-M114 HydrophobicContact CG-SD 4.47Å; L110-M114 HydrophobicContact CB-CB 4.12Å; L110-M114 HydrophobicContact CB-CG 4.41Å; L110-M114 HydrophobicContact CD1-CB 4.37Å; L110-M114 HydrophobicContact CD1-CE 4.32Å; L110-M114 HydrophobicContact CD1-CG 3.75Å; L110-M114 HydrophobicContact CD1-SD 4.49Å; N111-M114 WeakPolarHBondContact O-CB 3.35Å; N111-M114 PolarHBondContact O-N 3.01Å; N112-M114 PolarHBondContact O-N 2.88Å; M114-S116 PolarHBondContact O-N 2.83Å; M114-K117 PolarHBondContact O-N 3.27Å; M114-I118 HydrophobicContact CE-CG2 4.21Å; M114-F143 HydrophobicContact CG-CD1 4.34Å; M114-F143 HydrophobicContact CG-CE1 4.38Å
115	V	89.6	Confident	91.8	Very high	8 Å²	8	54.4 Å²	54.4	5%	0.048	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.5	-31.5	-173.5	-177.7	0	0	0	0	112	N112 L113 K117 I118 T120 F143 Y153	N112-V115 VanDerWaalsContact O-CB 3.3Å; N112-V115 WeakPolarHBondContact O-CB 3.31Å; N112-V115 WeakPolarHBondContact O-CG2 3.49Å; N112-V115 PolarHBondContact O-N 3.1Å; N112-V115 VanDerWaalsContact O-N 3.12Å; L113-V115 VanDerWaalsContact C-N 3.28Å; V115-K117 VanDerWaalsContact C-N 3.3Å; V115-K117 PolarHBondContact O-N 3.33Å; V115-I118 WeakPolarHBondContact O-CG1 3.49Å; V115-T120 HydrophobicContact CG1-CG2 3.94Å; V115-F143 HydrophobicContact CG2-CB 3.63Å; V115-F143 HydrophobicContact CG2-CD2 3.91Å; V115-F143 HydrophobicContact CG2-CG 3.77Å; V115-Y153 HydrophobicContact CG1-CD2 4.39Å; V115-Y153 HydrophobicContact CG1-CE2 3.73Å; V115-Y153 HydrophobicContact CG2-CE2 4.23Å
116	S	88.8	Confident	92.3	Very high	90 Å²	90	56.8 Å²	56.8	63%	0.629	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-75.7	-16.1	178.1	56.3	0	0	0	0	114	N52 L113 M114	N52-S116 PolarHBondContact ND2-O 2.83Å; L113-S116 PolarHBondContact O-OG 2.96Å; L113-S116 VanDerWaalsContact O-OG 3.08Å; M114-S116 PolarHBondContact O-N 2.83Å
117	K	92.4	Very high	92.6	Very high	122 Å²	122	51.1 Å²	51.1	53%	0.53	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-90.8	-9.1	-179	-63	-169.6	178.9	-175.8	0	113.6	L47 N52 M114 V115	L47-K117 HydrophobicContact CD1-CD 3.75Å; L47-K117 HydrophobicContact CD2-CB 4.18Å; N52-K117 WeakPolarHBondContact CB-O 3.44Å; M114-K117 PolarHBondContact O-N 3.27Å; V115-K117 VanDerWaalsContact C-N 3.3Å; V115-K117 PolarHBondContact O-N 3.33Å
118	I	94.5	Very high	92.6	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.255	C	S	.	.	S	Bend	trans	-117.3	162.7	-176.8	59.9	168.2	0	0	0	110.9	L47 Y50 L99 M114 V115 T120 F143	L47-I118 HydrophobicContact CD2-CG2 4.39Å; Y50-I118 HydrophobicContact CE1-CB 4.15Å; Y50-I118 HydrophobicContact CE1-CG2 4.32Å; L99-I118 HydrophobicContact CD1-CG2 4.08Å; M114-I118 HydrophobicContact CE-CG2 4.21Å; V115-I118 WeakPolarHBondContact O-CG1 3.49Å; I118-T120 HydrophobicContact CD1-CG2 4.48Å; I118-T120 HydrophobicContact CG1-CG2 4.37Å; I118-F143 HydrophobicContact CD1-CD1 4.37Å; I118-F143 HydrophobicContact CD1-CD2 4.1Å; I118-F143 HydrophobicContact CD1-CE1 3.52Å; I118-F143 HydrophobicContact CD1-CE2 3.19Å; I118-F143 HydrophobicContact CD1-CZ 2.89Å; I118-F143 HydrophobicContact CG1-CZ 4.36Å
119	W	96	Very high	92.6	Very high	8 Å²	8	55 Å²	55	3%	0.03	28%	0.275	C	S	.	.			trans	-70.7	139	171.3	179.4	89.2	0	0	0	110.3	Y50 R55 P56 T63 W94 P121 Y186 I191	Y50-W119 PolarHBondContact OH-N 3.44Å; R55-W119 HydrophobicContact CB-CD2 4.26Å; R55-W119 HydrophobicContact CB-CH2 4.38Å; R55-W119 HydrophobicContact CB-CZ2 3.72Å; P56-W119 HydrophobicContact CG-CE3 3.86Å; P56-W119 HydrophobicContact CG-CZ3 4.11Å; T63-W119 HydrophobicContact CG2-CH2 4.38Å; T63-W119 HydrophobicContact CG2-CZ3 4.42Å; W94-W119 HydrophobicContact CD2-CZ3 4.48Å; W94-W119 HydrophobicContact CG-CZ3 4.44Å; W94-W119 WeakPolarHBondContact CZ2-O 3.4Å; W94-W119 AromaticContact NE1-CE3 3.89Å; W94-W119 AromaticContact NE1-CZ3 3.87Å; W119-P121 HydrophobicContact CH2-CB 3.92Å; W119-P121 HydrophobicContact CZ2-CB 4.48Å; W119-P121 HydrophobicContact CZ3-CB 4.41Å; W119-Y186 HydrophobicContact CZ2-CE2 4.21Å; W119-Y186 AromaticContact NE1-CZ 3.99Å; W119-Y186 PolarHBondContact NE1-OH 2.84Å; W119-I191 HydrophobicContact CH2-CD1 3.78Å; W119-I191 HydrophobicContact CZ2-CD1 3.6Å
120	T	95.8	Very high	92.6	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.294	28%	0.278	S	S	.	.			trans	-133.5	146	172.5	54.3	0	0	0	0	109.7	W94 V115 I118 Y153	W94-T120 HydrophobicContact CH2-CG2 4.18Å; W94-T120 HydrophobicContact CZ2-CG2 4.42Å; V115-T120 HydrophobicContact CG1-CG2 3.94Å; I118-T120 HydrophobicContact CD1-CG2 4.48Å; I118-T120 HydrophobicContact CG1-CG2 4.37Å; T120-Y153 HydrophobicContact CG2-CE1 4.43Å
121	P	96.7	Very high	92.8	Very high	10 Å²	10	57 Å²	57	7%	0.065	29%	0.29	C	S	.	.			trans	-65	142.5	178.3	27.2	-34.5	0	0	0	111.3	V65 W94 W119 T123	V65-P121 HydrophobicContact CG1-CG 4.24Å; V65-P121 HydrophobicContact CG2-CB 4.23Å; W94-P121 HydrophobicContact CE3-CG 4.29Å; W94-P121 HydrophobicContact CZ3-CG 4.11Å; W119-P121 HydrophobicContact CH2-CB 3.92Å; W119-P121 HydrophobicContact CZ2-CB 4.48Å; W119-P121 HydrophobicContact CZ3-CB 4.41Å; P121-T123 PolarHBondContact O-N 3.5Å
122	D	95.6	Very high	93	Very high	45 Å²	45	56.4 Å²	56.4	24%	0.241	29%	0.285	C	S	.	.			trans	-85.2	49.4	-176.6	67.2	-22.8	0	0	0	112.6	F124 S183 Y184 A185 Y186	D122-F124 PolarHBondContact O-N 3.18Å; D122-S183 VanDerWaalsContact CG-OG 3.29Å; D122-S183 WeakPolarHBondContact OD1-CB 3.45Å; D122-S183 PolarHBondContact OD1-OG 2.67Å; D122-S183 PolarHBondContact OD2-OG 2.81Å; D122-Y184 PolarHBondContact O-N 3.37Å; D122-Y184 PolarHBondContact OD2-N 3.16Å; D122-A185 WeakPolarHBondContact OD2-CB 3.32Å; D122-A185 PolarHBondContact OD2-N 3.39Å; D122-Y186 WeakPolarHBondContact OD1-CD2 3.35Å
123	T	96.7	Very high	93.3	Very high	32 Å²	32	57.9 Å²	57.9	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.4	-176	-47.2	0	0	0	0	111.6	F90 Q92 P121 F181 G182 Y193	F90-T123 HydrophobicContact CE1-CG2 3.85Å; F90-T123 HydrophobicContact CZ-CG2 3.78Å; Q92-T123 PolarHBondContact NE2-OG1 2.87Å; P121-T123 PolarHBondContact O-N 3.5Å; T123-F181 HydrophobicContact CG2-CB 4.29Å; T123-F181 HydrophobicContact CG2-CD2 3.89Å; T123-G182 WeakPolarHBondContact CA-O 3.42Å; T123-Y193 HydrophobicContact CG2-CE1 4.1Å; T123-Y193 WeakPolarHBondContact OG1-CE1 3.34Å; T123-Y193 PolarHBondContact OG1-OH 2.66Å
124	F	95.9	Very high	93.5	Very high	59 Å²	59	54.5 Å²	54.5	26%	0.259	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.2	174.6	83.1	-70	0	0	0	111.4	D122 R126 F181 G182 S183 Y184	D122-F124 PolarHBondContact O-N 3.18Å; F124-R126 HydrophobicContact CD2-CG 4.4Å; F124-R126 HydrophobicContact CE1-CG 4.16Å; F124-R126 HydrophobicContact CE2-CB 4.33Å; F124-R126 HydrophobicContact CE2-CG 3.57Å; F124-R126 HydrophobicContact CZ-CG 3.43Å; F124-R126 VanDerWaalsContact CZ-CG 3.43Å; F124-F181 VanDerWaalsContact O-CA 3.25Å; F124-F181 WeakPolarHBondContact O-CA 3.25Å; F124-F181 WeakPolarHBondContact O-CB 3.21Å; F124-G182 WeakPolarHBondContact CD1-O 3.44Å; F124-G182 PolarHBondContact N-O 3.27Å; F124-G182 PolarHBondContact O-N 2.75Å; F124-S183 WeakPolarHBondContact CE1-O 3.3Å; F124-Y184 AromaticContact CD1-CD2 3.92Å; F124-Y184 HydrophobicContact CD1-CD2 3.92Å; F124-Y184 HydrophobicContact CD1-CG 4.27Å; F124-Y184 HydrophobicContact CD2-CD2 4.24Å; F124-Y184 VanDerWaalsContact CE1-CA 3.49Å; F124-Y184 AromaticContact CE1-CD2 3.83Å; F124-Y184 HydrophobicContact CE1-CD2 3.83Å; F124-Y184 HydrophobicContact CE1-CG 4.34Å; F124-Y184 HydrophobicContact CE2-CD2 4.12Å; F124-Y184 HydrophobicContact CG-CD2 4.13Å; F124-Y184 AromaticContact CZ-CD2 3.9Å; F124-Y184 HydrophobicContact CZ-CD2 3.9Å
125	F	97	Very high	93.6	Very high	25 Å²	25	59 Å²	59	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.1	174.5	-61.7	-81.1	0	0	0	109.3	F90 G128 L157 I159 L179 K180 F181	F90-F125 HydrophobicContact CD2-CZ 4.12Å; F90-F125 HydrophobicContact CE2-CE1 4.48Å; F90-F125 HydrophobicContact CE2-CZ 4.26Å; F90-F125 HydrophobicContact CG-CZ 4.48Å; F125-G128 PolarHBondContact O-N 3.09Å; F125-L157 HydrophobicContact CE2-CD1 3.62Å; F125-L157 HydrophobicContact CZ-CD1 4.02Å; F125-I159 HydrophobicContact CD1-CD1 4.1Å; F125-I159 HydrophobicContact CD2-CD1 4.14Å; F125-I159 HydrophobicContact CD2-CG1 4.33Å; F125-I159 HydrophobicContact CE1-CD1 3.57Å; F125-I159 HydrophobicContact CE2-CD1 3.63Å; F125-I159 HydrophobicContact CE2-CG1 4.09Å; F125-I159 HydrophobicContact CG-CD1 4.37Å; F125-I159 HydrophobicContact CG-CG2 4.37Å; F125-I159 HydrophobicContact CZ-CD1 3.31Å; F125-I159 HydrophobicContact CZ-CG1 4.27Å; F125-L179 HydrophobicContact CD1-CD1 3.63Å; F125-L179 HydrophobicContact CD1-CG 4.14Å; F125-L179 HydrophobicContact CE1-CD1 4.13Å; F125-L179 HydrophobicContact CE1-CD2 4.24Å; F125-L179 HydrophobicContact CE1-CG 4.3Å; F125-K180 CarbonylContact C-O 3.58Å; F125-K180 WeakPolarHBondContact CA-O 3.42Å; F125-F181 HydrophobicContact CD1-CB 3.75Å; F125-F181 HydrophobicContact CE1-CB 3.91Å; F125-F181 HydrophobicContact CE1-CD1 4.3Å; F125-F181 HydrophobicContact CE1-CG 4.3Å; F125-F181 HydrophobicContact CG-CB 4.5Å
126	R	94.4	Very high	93.4	Very high	84 Å²	84	65.7 Å²	65.7	32%	0.317	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-39.9	-174.2	-76.1	177.8	171.6	-98.5	-1.2	112.9	F124 G128 K180	F124-R126 HydrophobicContact CD2-CG 4.4Å; F124-R126 HydrophobicContact CE1-CG 4.16Å; F124-R126 HydrophobicContact CE2-CB 4.33Å; F124-R126 HydrophobicContact CE2-CG 3.57Å; F124-R126 HydrophobicContact CZ-CG 3.43Å; F124-R126 VanDerWaalsContact CZ-CG 3.43Å; R126-G128 VanDerWaalsContact C-N 3.35Å; R126-K180 HydrophobicContact CB-CB 4.18Å; R126-K180 PolarHBondContact N-O 2.91Å
127	N	95.3	Very high	93.2	Very high	24 Å²	24	67.5 Å²	67.5	13%	0.128	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	15.7	175.4	68.8	-46.2	0	0	0	112.4	A161 E162 P178 K180	N127-A161 CarbonylContact O-C 3.56Å; N127-A161 WeakPolarHBondContact O-CA 3.39Å; N127-E162 PolarHBondContact ND2-O 2.8Å; N127-E162 PolarHBondContact O-N 3.03Å; N127-P178 PolarHBondContact ND2-O 3.43Å; N127-K180 PolarHBondContact OD1-N 3.04Å
128	G	93.1	Very high	92.9	Very high	25 Å²	25	65.5 Å²	65.5	26%	0.258	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.5	174.1	0	0	0	0	0	110.5	F125 R126 N160	F125-G128 PolarHBondContact O-N 3.09Å; R126-G128 VanDerWaalsContact C-N 3.35Å; G128-N160 CarbonylContact C-O 3.46Å; G128-N160 WeakPolarHBondContact CA-O 3.39Å
129	K	90.7	Very high	92.6	Very high	106 Å²	106	67.7 Å²	67.7	46%	0.461	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-46.1	173.1	-69	-177.2	-172.8	170	0	111.2	E81 E83 N160	E81-K129 PolarHBondContact O-NZ 2.91Å; E83-K129 VanDerWaalsContact OE2-CD 3.28Å; E83-K129 WeakPolarHBondContact OE2-CD 3.34Å; E83-K129 IonicContact OE2-NZ 3.44Å; E83-K129 PolarHBondContact OE2-NZ 2.95Å; K129-N160 PolarHBondContact N-O 2.82Å
130	R	90.9	Very high	92.2	Very high	185 Å²	185	69.7 Å²	69.7	70%	0.698	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	134.8	178.6	-167.6	175.3	-172.3	173.2	2.3	109	N160	R130-N160 HydrophobicContact CB-CB 4.42Å; R130-N160 PolarHBondContact N-O 3Å; R130-N160 WeakPolarHBondContact O-CA 3.46Å; R130-N160 VanDerWaalsContact O-CB 3.26Å; R130-N160 WeakPolarHBondContact O-CB 3.33Å; R130-N160 PolarHBondContact O-N 3.47Å
131	S	92.7	Very high	92	Very high	59 Å²	59	71 Å²	71	41%	0.413	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.8	176.7	-64.7	0	0	0	0	109.7	T158	S131-T158 CarbonylContact C-O 3.56Å; S131-T158 WeakPolarHBondContact CA-O 3.01Å
132	I	94.1	Very high	91.6	Very high	88 Å²	88	73.8 Å²	73.8	45%	0.451	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.7	-177.1	-57.3	172.6	0	0	0	108.1	L157 T158	I132-L157 WeakPolarHBondContact O-CA 3.34Å; I132-T158 PolarHBondContact N-O 2.98Å; I132-T158 PolarHBondContact O-N 2.93Å
133	S	93.4	Very high	91.5	Very high	56 Å²	56	71.8 Å²	71.8	39%	0.392	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.8	166.2	178	0	0	0	0	108.8
134	H	91.5	Very high	91.4	Very high	45 Å²	45	74.3 Å²	74.3	21%	0.208	38%	0.378	C	S	.	.			trans	-69.2	134.7	-178	-69.9	-85.8	0	0	0	112.1	N140 R156 T158	H134-N140 HydrophobicContact CB-CB 4.32Å; H134-N140 WeakPolarHBondContact CB-ND2 3.42Å; H134-N140 PolarHBondContact O-N 2.84Å; H134-N140 VanDerWaalsContact O-N 3.08Å; H134-R156 PolarHBondContact N-O 2.98Å; H134-T158 PolarHBondContact CE1-OG1 2.73Å; H134-T158 PolarHBondContact NE2-OG1 3.04Å
135	N	90.6	Very high	91.3	Very high	116 Å²	116	71.5 Å²	71.5	62%	0.62	37%	0.366	S	S	*	.			trans	-127.8	13.6	-174.2	68.5	-14	0	0	0	116	T138	N135-T138 CarbonylContact C-O 3.55Å; N135-T138 VanDerWaalsContact C-O 3.25Å; N135-T138 CarbonylContact O-C 3.55Å
136	M	85.5	Confident	91.3	Very high	148 Å²	148	73.9 Å²	73.9	73%	0.729	38%	0.378	S	S	*	.	S	Bend	trans	-110.7	132.8	-176.3	-173.7	65.8	70.7	0	0	111.7	T138	M136-T138 VanDerWaalsContact C-N 3.33Å
137	T	85.3	Confident	91.2	Very high	128 Å²	128	73.4 Å²	73.4	79%	0.785	38%	0.379	S	S	*	.	S	Bend	cis	-77.5	-14.8	-10.1	51.7	0	0	0	0	113.3
138	T	85.6	Confident	91.1	Very high	79 Å²	79	76.6 Å²	76.6	49%	0.485	40%	0.397	S	S	.	.	S	Bend	trans	-131.7	163	170.1	53.9	0	0	0	0	108.8	N135 M136 N140	N135-T138 CarbonylContact C-O 3.55Å; N135-T138 VanDerWaalsContact C-O 3.25Å; N135-T138 CarbonylContact O-C 3.55Å; M136-T138 VanDerWaalsContact C-N 3.33Å; T138-N140 PolarHBondContact O-N 2.92Å; T138-N140 VanDerWaalsContact O-N 3.14Å; T138-N140 PolarHBondContact O-OD1 2.93Å
139	P	88.2	Confident	91.2	Very high	51 Å²	51	75.4 Å²	75.4	33%	0.331	38%	0.384	S	S	.	.			trans	-52.7	120.2	174	-28.7	37.2	0	0	0	112.3	N112 K141	N112-P139 HydrophobicContact CB-CB 4.4Å; N112-P139 WeakPolarHBondContact ND2-CB 3.38Å; N112-P139 WeakPolarHBondContact ND2-CD 3.38Å; N112-P139 WeakPolarHBondContact ND2-CG 3.27Å; P139-K141 PolarHBondContact O-N 3.06Å
140	N	87.4	Confident	91.5	Very high	50 Å²	50	71.3 Å²	71.3	27%	0.267	37%	0.368	S	S	.	.			trans	-76.7	65.5	-176.4	-70.8	-24.7	0	0	0	111.1	H134 T138 M155 R156	H134-N140 HydrophobicContact CB-CB 4.32Å; H134-N140 WeakPolarHBondContact CB-ND2 3.42Å; H134-N140 PolarHBondContact O-N 2.84Å; H134-N140 VanDerWaalsContact O-N 3.08Å; T138-N140 PolarHBondContact O-N 2.92Å; T138-N140 VanDerWaalsContact O-N 3.14Å; T138-N140 PolarHBondContact O-OD1 2.93Å; N140-M155 WeakPolarHBondContact O-CA 3.32Å; N140-R156 HydrophobicContact CB-CB 3.92Å; N140-R156 PolarHBondContact O-N 2.95Å; N140-R156 VanDerWaalsContact O-N 3.16Å
141	K	90.9	Very high	91.7	Very high	75 Å²	75	62.5 Å²	62.5	33%	0.326	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110	-179.9	-69.5	-178.4	178.3	-169.2	0	108.1	N112 P139 Y153 T154	N112-K141 HydrophobicContact CB-CB 4.13Å; P139-K141 PolarHBondContact O-N 3.06Å; K141-Y153 HydrophobicContact CB-CE2 4.17Å; K141-Y153 HydrophobicContact CD-CE2 4.34Å; K141-Y153 WeakPolarHBondContact CD-OH 3.16Å; K141-Y153 WeakPolarHBondContact CE-OH 3.37Å; K141-Y153 HydrophobicContact CG-CE2 4.25Å; K141-T154 CarbonylContact C-O 3.57Å; K141-T154 WeakPolarHBondContact CA-O 3.38Å
142	L	89.7	Confident	91.9	Very high	70 Å²	70	61.2 Å²	61.2	37%	0.366	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.8	172.8	175.8	156.7	0	0	0	108.5	R144 L152 T154	L142-R144 HydrophobicContact CD2-CG 3.87Å; L142-L152 HydrophobicContact CD2-CD2 4.35Å; L142-L152 HydrophobicContact CD2-CG 4.47Å; L142-T154 PolarHBondContact N-O 3.26Å; L142-T154 PolarHBondContact O-N 2.58Å
143	F	92.6	Very high	92	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.2	-179.2	-167.1	-104.4	0	0	0	111.2	L110 M114 V115 I118 I145 I151 Y153	L110-F143 HydrophobicContact CB-CD1 4.21Å; L110-F143 HydrophobicContact CD1-CD1 4.24Å; L110-F143 HydrophobicContact CD1-CE1 4.36Å; L110-F143 PolarHBondContact N-O 2.89Å; M114-F143 HydrophobicContact CG-CD1 4.34Å; M114-F143 HydrophobicContact CG-CE1 4.38Å; V115-F143 HydrophobicContact CG2-CB 3.63Å; V115-F143 HydrophobicContact CG2-CD2 3.91Å; V115-F143 HydrophobicContact CG2-CG 3.77Å; I118-F143 HydrophobicContact CD1-CD1 4.37Å; I118-F143 HydrophobicContact CD1-CD2 4.1Å; I118-F143 HydrophobicContact CD1-CE1 3.52Å; I118-F143 HydrophobicContact CD1-CE2 3.19Å; I118-F143 HydrophobicContact CD1-CZ 2.89Å; I118-F143 HydrophobicContact CG1-CZ 4.36Å; F143-I145 HydrophobicContact CD1-CG1 4.25Å; F143-I145 HydrophobicContact CE1-CD1 3.78Å; F143-I145 HydrophobicContact CE1-CG1 3.4Å; F143-I145 HydrophobicContact CZ-CD1 4.45Å; F143-I145 HydrophobicContact CZ-CG1 3.94Å; F143-I151 HydrophobicContact CD2-CG2 4.2Å; F143-I151 HydrophobicContact CE2-CG2 3.16Å; F143-I151 HydrophobicContact CZ-CB 4.42Å; F143-I151 HydrophobicContact CZ-CD1 4.42Å; F143-I151 HydrophobicContact CZ-CG1 4.23Å; F143-I151 HydrophobicContact CZ-CG2 3.38Å; F143-Y153 HydrophobicContact CD2-CD2 4.03Å; F143-Y153 HydrophobicContact CD2-CG 4.49Å
144	R	94.5	Very high	92.1	Very high	86 Å²	86	55.4 Å²	55.4	33%	0.325	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.3	178.6	-60.1	-178.4	-177.3	178.2	0.4	110.7	I107 L108 R109 L142 I151 L152	I107-R144 HydrophobicContact CG2-CB 4.04Å; I107-R144 HydrophobicContact CG2-CG 4.42Å; L108-R144 VanDerWaalsContact O-CA 3.27Å; L108-R144 WeakPolarHBondContact O-CA 3.47Å; R109-R144 HydrophobicContact CG-CG 4.38Å; L142-R144 HydrophobicContact CD2-CG 3.87Å; R144-I151 WeakPolarHBondContact O-CA 3.42Å; R144-L152 HydrophobicContact CB-CB 4.31Å; R144-L152 PolarHBondContact N-O 3.04Å; R144-L152 PolarHBondContact O-N 2.7Å
145	I	94.9	Very high	92.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.7	172.6	-48.9	179.6	0	0	0	107.7	L99 F101 I107 L108 L110 F143	L99-I145 HydrophobicContact CB-CG2 4.38Å; F101-I145 HydrophobicContact CD1-CG2 4.36Å; F101-I145 HydrophobicContact CE1-CB 4.49Å; F101-I145 HydrophobicContact CE1-CG2 4.03Å; I107-I145 WeakPolarHBondContact CA-O 3.49Å; L108-I145 HydrophobicContact CB-CB 4.4Å; L108-I145 PolarHBondContact N-O 3.37Å; L108-I145 PolarHBondContact O-N 2.82Å; L110-I145 HydrophobicContact CD1-CD1 3.65Å; L110-I145 HydrophobicContact CD1-CG1 4.02Å; F143-I145 HydrophobicContact CD1-CG1 4.25Å; F143-I145 HydrophobicContact CE1-CD1 3.78Å; F143-I145 HydrophobicContact CE1-CG1 3.4Å; F143-I145 HydrophobicContact CZ-CD1 4.45Å; F143-I145 HydrophobicContact CZ-CG1 3.94Å
146	M	95.6	Very high	92.5	Very high	75 Å²	75	53.1 Å²	53.1	37%	0.369	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	152.9	170.3	-63.8	178.8	162.5	0	0	110	E106 I107 N148 G149 T150	E106-M146 CarbonylContact O-C 3.52Å; E106-M146 WeakPolarHBondContact O-CA 3.29Å; I107-M146 HydrophobicContact CG1-CG 4.39Å; M146-N148 WeakPolarHBondContact CB-OD1 3.37Å; M146-N148 PolarHBondContact O-N 2.97Å; M146-N148 VanDerWaalsContact O-N 3.09Å; M146-G149 PolarHBondContact O-N 3.23Å; M146-T150 WeakPolarHBondContact CB-O 3.37Å; M146-T150 PolarHBondContact N-O 2.85Å; M146-T150 HydrophobicContact SD-CG2 3.98Å
147	Q	92.9	Very high	93	Very high	73 Å²	73	46.8 Å²	46.8	34%	0.341	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33	-178.4	-161.1	174.7	-0.5	0	0	113.9	F101 E106 G149	F101-Q147 HydrophobicContact CE2-CG 4.32Å; F101-Q147 HydrophobicContact CZ-CB 4.2Å; F101-Q147 HydrophobicContact CZ-CG 4.43Å; F101-Q147 PolarHBondContact N-O 2.88Å; F101-Q147 WeakPolarHBondContact O-CG 3.36Å; E106-Q147 PolarHBondContact O-N 3.33Å; Q147-G149 PolarHBondContact O-N 3.33Å
148	N	93.9	Very high	93.5	Very high	92 Å²	92	41.8 Å²	41.8	49%	0.492	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	3	177.9	69.7	-4.1	0	0	0	114.7	K100 M146 T150	K100-N148 WeakPolarHBondContact CE-O 3.43Å; K100-N148 WeakPolarHBondContact CG-O 3.2Å; M146-N148 WeakPolarHBondContact CB-OD1 3.37Å; M146-N148 PolarHBondContact O-N 2.97Å; M146-N148 VanDerWaalsContact O-N 3.09Å; N148-T150 VanDerWaalsContact CG-OG1 3.27Å; N148-T150 PolarHBondContact ND2-OG1 2.73Å; N148-T150 VanDerWaalsContact ND2-OG1 3.15Å; N148-T150 WeakPolarHBondContact OD1-CB 3.47Å; N148-T150 PolarHBondContact OD1-N 2.75Å; N148-T150 PolarHBondContact OD1-OG1 3.19Å
149	G	93.8	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	84.9	5.3	-176.1	0	0	0	0	0	114.1	D96 M146 Q147	D96-G149 PolarHBondContact N-O 3.23Å; D96-G149 WeakPolarHBondContact O-CA 3.37Å; M146-G149 PolarHBondContact O-N 3.23Å; Q147-G149 PolarHBondContact O-N 3.33Å
150	T	96.6	Very high	94.4	Very high	19 Å²	19	36.9 Å²	36.9	12%	0.117	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.8	173.1	-54.7	0	0	0	0	109.8	T93 M146 N148	T93-T150 HydrophobicContact CG2-CG2 3.5Å; T93-T150 VanDerWaalsContact CG2-CG2 3.5Å; M146-T150 WeakPolarHBondContact CB-O 3.37Å; M146-T150 PolarHBondContact N-O 2.85Å; M146-T150 HydrophobicContact SD-CG2 3.98Å; N148-T150 VanDerWaalsContact CG-OG1 3.27Å; N148-T150 PolarHBondContact ND2-OG1 2.73Å; N148-T150 VanDerWaalsContact ND2-OG1 3.15Å; N148-T150 WeakPolarHBondContact OD1-CB 3.47Å; N148-T150 PolarHBondContact OD1-N 2.75Å; N148-T150 PolarHBondContact OD1-OG1 3.19Å
151	I	96.4	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.9	-178.2	-68.8	164.4	0	0	0	108.7	T93 W94 D96 L99 F143 R144	T93-I151 WeakPolarHBondContact CA-O 3.37Å; T93-I151 WeakPolarHBondContact CG2-O 3.38Å; W94-I151 HydrophobicContact CD2-CB 4.24Å; W94-I151 HydrophobicContact CD2-CG2 4.31Å; W94-I151 HydrophobicContact CE3-CG2 4.38Å; W94-I151 HydrophobicContact CH2-CG2 3.64Å; W94-I151 HydrophobicContact CZ2-CB 4.13Å; W94-I151 HydrophobicContact CZ2-CD1 4.07Å; W94-I151 HydrophobicContact CZ2-CG2 3.53Å; W94-I151 HydrophobicContact CZ3-CG2 4.08Å; W94-I151 PolarHBondContact N-O 3.42Å; W94-I151 PolarHBondContact O-N 3.28Å; D96-I151 HydrophobicContact CB-CD1 3.73Å; L99-I151 HydrophobicContact CD1-CD1 3.58Å; F143-I151 HydrophobicContact CD2-CG2 4.2Å; F143-I151 HydrophobicContact CE2-CG2 3.16Å; F143-I151 HydrophobicContact CZ-CB 4.42Å; F143-I151 HydrophobicContact CZ-CD1 4.42Å; F143-I151 HydrophobicContact CZ-CG1 4.23Å; F143-I151 HydrophobicContact CZ-CG2 3.38Å; R144-I151 WeakPolarHBondContact O-CA 3.42Å
152	L	96.3	Very high	95.1	Very high	33 Å²	33	35.2 Å²	35.2	17%	0.173	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.5	166.5	174.3	65.9	0	0	0	108.7	L142 R144	L142-L152 HydrophobicContact CD2-CD2 4.35Å; L142-L152 HydrophobicContact CD2-CG 4.47Å; R144-L152 HydrophobicContact CB-CB 4.31Å; R144-L152 PolarHBondContact N-O 3.04Å; R144-L152 PolarHBondContact O-N 2.7Å
153	Y	96	Very high	95.3	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131	173.7	-178.1	-140.4	0	0	0	109.3	R91 Q92 W94 V115 T120 K141 F143 M155	R91-Y153 WeakPolarHBondContact CA-O 3.49Å; Q92-Y153 PolarHBondContact N-O 3.17Å; Q92-Y153 PolarHBondContact O-N 3.23Å; W94-Y153 HydrophobicContact CH2-CD1 4.21Å; W94-Y153 HydrophobicContact CH2-CG 4.23Å; W94-Y153 HydrophobicContact CZ3-CD1 4.26Å; W94-Y153 HydrophobicContact CZ3-CG 4.34Å; V115-Y153 HydrophobicContact CG1-CD2 4.39Å; V115-Y153 HydrophobicContact CG1-CE2 3.73Å; V115-Y153 HydrophobicContact CG2-CE2 4.23Å; T120-Y153 HydrophobicContact CG2-CE1 4.43Å; K141-Y153 HydrophobicContact CB-CE2 4.17Å; K141-Y153 HydrophobicContact CD-CE2 4.34Å; K141-Y153 WeakPolarHBondContact CD-OH 3.16Å; K141-Y153 WeakPolarHBondContact CE-OH 3.37Å; K141-Y153 HydrophobicContact CG-CE2 4.25Å; F143-Y153 HydrophobicContact CD2-CD2 4.03Å; F143-Y153 HydrophobicContact CD2-CG 4.49Å; Y153-M155 HydrophobicContact CD1-CE 3.98Å; Y153-M155 HydrophobicContact CE1-CE 3.14Å; Y153-M155 VanDerWaalsContact CZ-CE 3.49Å; Y153-M155 WeakPolarHBondContact OH-CE 3.49Å
154	T	95.9	Very high	95.3	Very high	12 Å²	12	35.6 Å²	35.6	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.8	177.1	-63	0	0	0	0	109.8	F89 F90 R91 K141 L142	F89-T154 HydrophobicContact CB-CG2 4.11Å; F90-T154 VanDerWaalsContact O-CA 3.32Å; F90-T154 WeakPolarHBondContact O-CA 3.5Å; R91-T154 WeakPolarHBondContact CD-OG1 3.36Å; R91-T154 HydrophobicContact CG-CG2 3.83Å; R91-T154 WeakPolarHBondContact CG-OG1 3.31Å; K141-T154 CarbonylContact C-O 3.57Å; K141-T154 WeakPolarHBondContact CA-O 3.38Å; L142-T154 PolarHBondContact N-O 3.26Å; L142-T154 PolarHBondContact O-N 2.58Å
155	M	94.7	Very high	95.2	Very high	30 Å²	30	31.9 Å²	31.9	15%	0.148	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.8	176.1	58.7	179	85.3	0	0	110.8	F89 F90 N140 Y153 L157	F89-M155 WeakPolarHBondContact CA-O 3.46Å; F90-M155 HydrophobicContact CB-CG 3.96Å; F90-M155 HydrophobicContact CD1-CG 4.46Å; F90-M155 PolarHBondContact N-O 2.97Å; F90-M155 PolarHBondContact O-N 3.35Å; N140-M155 WeakPolarHBondContact O-CA 3.32Å; Y153-M155 HydrophobicContact CD1-CE 3.98Å; Y153-M155 HydrophobicContact CE1-CE 3.14Å; Y153-M155 VanDerWaalsContact CZ-CE 3.49Å; Y153-M155 WeakPolarHBondContact OH-CE 3.49Å; M155-L157 HydrophobicContact CG-CD1 4.04Å; M155-L157 HydrophobicContact CG-CD2 4.11Å; M155-L157 HydrophobicContact CG-CG 3.86Å; M155-L157 HydrophobicContact SD-CD1 3.69Å; M155-L157 HydrophobicContact SD-CD2 3.74Å; M155-L157 HydrophobicContact SD-CG 3.89Å
156	R	95.3	Very high	95	Very high	83 Å²	83	37.4 Å²	37.4	31%	0.313	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.2	169.3	-169.9	-175.8	170.9	-176.9	-3.4	109.7	D87 V88 F89 H134 N140	D87-R156 IonicContact OD2-NH2 3.68Å; V88-R156 WeakPolarHBondContact O-CA 3.4Å; F89-R156 HydrophobicContact CD1-CB 3.84Å; F89-R156 HydrophobicContact CD1-CG 4.04Å; F89-R156 HydrophobicContact CE1-CB 3.75Å; F89-R156 HydrophobicContact CE1-CG 3.76Å; H134-R156 PolarHBondContact N-O 2.98Å; N140-R156 HydrophobicContact CB-CB 3.92Å; N140-R156 PolarHBondContact O-N 2.95Å; N140-R156 VanDerWaalsContact O-N 3.16Å
157	L	95.9	Very high	94.9	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.5	-179	-59.3	178.9	0	0	0	110.7	D87 V88 F90 F125 I132 M155 I159	D87-L157 WeakPolarHBondContact CA-O 3.35Å; V88-L157 HydrophobicContact CG2-CB 4.09Å; V88-L157 PolarHBondContact N-O 2.72Å; V88-L157 PolarHBondContact O-N 2.77Å; F90-L157 HydrophobicContact CB-CD1 4.1Å; F125-L157 HydrophobicContact CE2-CD1 3.62Å; F125-L157 HydrophobicContact CZ-CD1 4.02Å; I132-L157 WeakPolarHBondContact O-CA 3.34Å; M155-L157 HydrophobicContact CG-CD1 4.04Å; M155-L157 HydrophobicContact CG-CD2 4.11Å; M155-L157 HydrophobicContact CG-CG 3.86Å; M155-L157 HydrophobicContact SD-CD1 3.69Å; M155-L157 HydrophobicContact SD-CD2 3.74Å; M155-L157 HydrophobicContact SD-CG 3.89Å; L157-I159 HydrophobicContact CB-CD1 4.38Å; L157-I159 HydrophobicContact CB-CG1 4.03Å; L157-I159 HydrophobicContact CD1-CD1 4.47Å
158	T	96.3	Very high	94.8	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.141	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.3	156.7	-61.2	0	0	0	0	107.6	T85 M86 D87 S131 I132 H134	T85-T158 HydrophobicContact CG2-CG2 3.59Å; M86-T158 CarbonylContact O-C 3.56Å; M86-T158 WeakPolarHBondContact O-CA 3.44Å; D87-T158 VanDerWaalsContact OD1-CB 3.27Å; D87-T158 WeakPolarHBondContact OD1-CB 3.36Å; D87-T158 WeakPolarHBondContact OD1-CG2 3.48Å; D87-T158 PolarHBondContact OD1-OG1 2.94Å; S131-T158 CarbonylContact C-O 3.56Å; S131-T158 WeakPolarHBondContact CA-O 3.01Å; I132-T158 PolarHBondContact N-O 2.98Å; I132-T158 PolarHBondContact O-N 2.93Å; H134-T158 PolarHBondContact CE1-OG1 2.73Å; H134-T158 PolarHBondContact NE2-OG1 3.04Å
159	I	96.4	Very high	94.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.6	-176.8	-57.2	163.9	0	0	0	107.8	T85 M86 V88 F125 L157 A161 L179	T85-I159 CarbonylContact C-O 3.37Å; T85-I159 WeakPolarHBondContact CA-O 3.46Å; M86-I159 HydrophobicContact CG-CB 4.16Å; M86-I159 PolarHBondContact N-O 2.9Å; M86-I159 PolarHBondContact O-N 3.28Å; V88-I159 HydrophobicContact CG2-CD1 3.62Å; V88-I159 HydrophobicContact CG2-CG1 4.46Å; F125-I159 HydrophobicContact CD1-CD1 4.1Å; F125-I159 HydrophobicContact CD2-CD1 4.14Å; F125-I159 HydrophobicContact CD2-CG1 4.33Å; F125-I159 HydrophobicContact CE1-CD1 3.57Å; F125-I159 HydrophobicContact CE2-CD1 3.63Å; F125-I159 HydrophobicContact CE2-CG1 4.09Å; F125-I159 HydrophobicContact CG-CD1 4.37Å; F125-I159 HydrophobicContact CG-CG2 4.37Å; F125-I159 HydrophobicContact CZ-CD1 3.31Å; F125-I159 HydrophobicContact CZ-CG1 4.27Å; L157-I159 HydrophobicContact CB-CD1 4.38Å; L157-I159 HydrophobicContact CB-CG1 4.03Å; L157-I159 HydrophobicContact CD1-CD1 4.47Å; I159-A161 HydrophobicContact CG2-CB 4.23Å; I159-L179 HydrophobicContact CG2-CD1 4.09Å
160	N	96.3	Very high	94.7	Very high	28 Å²	28	30.4 Å²	30.4	15%	0.15	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.6	165.6	-174.9	3.1	0	0	0	108.4	E83 Y84 G128 K129 R130	E83-N160 WeakPolarHBondContact CB-OD1 3.24Å; E83-N160 VanDerWaalsContact CD-ND2 3.33Å; E83-N160 PolarHBondContact OE1-ND2 3.2Å; E83-N160 PolarHBondContact OE1-OD1 2.85Å; Y84-N160 WeakPolarHBondContact O-CA 3.38Å; Y84-N160 PolarHBondContact O-OD1 3.42Å; G128-N160 CarbonylContact C-O 3.46Å; G128-N160 WeakPolarHBondContact CA-O 3.39Å; K129-N160 PolarHBondContact N-O 2.82Å; R130-N160 HydrophobicContact CB-CB 4.42Å; R130-N160 PolarHBondContact N-O 3Å; R130-N160 WeakPolarHBondContact O-CA 3.46Å; R130-N160 VanDerWaalsContact O-CB 3.26Å; R130-N160 WeakPolarHBondContact O-CB 3.33Å; R130-N160 PolarHBondContact O-N 3.47Å
161	A	96.6	Very high	94.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144	-173.8	0	0	0	0	0	111.3	E83 Y84 N127 I159 L179	E83-A161 VanDerWaalsContact CA-O 3.28Å; E83-A161 WeakPolarHBondContact CA-O 3.45Å; E83-A161 WeakPolarHBondContact CB-O 3.43Å; Y84-A161 HydrophobicContact CD1-CB 4.3Å; Y84-A161 WeakPolarHBondContact CD1-O 3.48Å; Y84-A161 HydrophobicContact CE1-CB 3.66Å; Y84-A161 PolarHBondContact N-O 2.87Å; Y84-A161 PolarHBondContact O-N 3.37Å; N127-A161 CarbonylContact O-C 3.56Å; N127-A161 WeakPolarHBondContact O-CA 3.39Å; I159-A161 HydrophobicContact CG2-CB 4.23Å; A161-L179 HydrophobicContact CB-CD1 4.17Å
162	E	96.1	Very high	94.3	Very high	89 Å²	89	29.9 Å²	29.9	42%	0.416	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.4	174.5	-171.6	179.2	169	0	0	110.4	N127	N127-E162 PolarHBondContact ND2-O 2.8Å; N127-E162 PolarHBondContact O-N 3.03Å
163	C	95.4	Very high	94.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	14%	0.137	C	C	.	.			trans	-127.2	98	171.8	178.9	0	0	0	0	108.9	M82 Y84 M165 C177	M82-C163 CarbonylContact C-O 3.55Å; M82-C163 CarbonylContact O-C 3.58Å; M82-C163 PolarHBondContact O-N 3.38Å; Y84-C163 HydrophobicContact CD1-CB 3.63Å; Y84-C163 HydrophobicContact CE1-CB 3.92Å; C163-M165 HydrophobicContact CB-CE 4.2Å; C163-M165 PolarHBondContact O-N 2.98Å; C163-C177 HydrophobicContact CB-CB 3.7Å; C163-C177 WeakPolarHBondContact CB-SG 3.37Å; C163-C177 WeakPolarHBondContact SG-CA 3.38Å; C163-C177 WeakPolarHBondContact SG-CB 3.35Å; C163-C177 CovalentContact SG-SG 2.04Å; C163-C177 PolarHBondContact SG-SG 2.87Å
164	P	92.4	Very high	94	Very high	79 Å²	79	28 Å²	28	51%	0.513	14%	0.135	S	C	.	.			trans	-71.5	99.7	179.1	29	-33.5	0	0	0	110
165	M	91.4	Very high	93.9	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.044	13%	0.132	C	C	.	.			trans	-87.2	144.9	-179.4	-62.5	167	-163	0	0	111.3	V77 C163 L167 H175	V77-M165 HydrophobicContact CG1-CE 3.31Å; C163-M165 HydrophobicContact CB-CE 4.2Å; C163-M165 PolarHBondContact O-N 2.98Å; M165-L167 HydrophobicContact CB-CD2 4.17Å; M165-H175 HydrophobicContact CG-CB 4.41Å
166	R	91.3	Very high	93.9	Very high	116 Å²	116	26.9 Å²	26.9	44%	0.438	13%	0.132	S	C	.	.			trans	-113.9	114.2	166.4	154.2	-171.2	-160.5	176.6	5.6	111	M168 E459	R166-M168 VanDerWaalsContact C-N 3.31Å; R166-M168 HydrophobicContact CG-CB 4.46Å; R166-M168 HydrophobicContact CG-CG 4.06Å; R166-M168 PolarHBondContact NE-SD 2.84Å; R166-M168 VanDerWaalsContact NH2-CE 3.28Å; R166-M168 PolarHBondContact NH2-SD 3.12Å; R166-M168 PolarHBondContact O-N 3.06Å; R166-E459 WeakPolarHBondContact CB-OE1 3.36Å; R166-E459 VanDerWaalsContact CD-OE1 3.32Å; R166-E459 WeakPolarHBondContact CD-OE1 3.35Å; R166-E459 WeakPolarHBondContact CG-OE1 3.45Å; R166-E459 PolarHBondContact N-OE2 3.38Å
167	L	92.2	Very high	93.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-92.4	21.9	-166.3	-59	175.2	0	0	0	113	M165 N169 F170 D173 L301 P302 V304 Y306 T308	M165-L167 HydrophobicContact CB-CD2 4.17Å; L167-N169 VanDerWaalsContact C-N 3.27Å; L167-N169 PolarHBondContact O-N 3.02Å; L167-F170 HydrophobicContact CB-CB 4.14Å; L167-F170 HydrophobicContact CD2-CD2 4.36Å; L167-F170 WeakPolarHBondContact O-CB 3.34Å; L167-F170 PolarHBondContact O-N 3.3Å; L167-F170 VanDerWaalsContact O-N 3.1Å; L167-D173 VanDerWaalsContact CD2-OD2 3.3Å; L167-D173 WeakPolarHBondContact CD2-OD2 3.31Å; L167-L301 HydrophobicContact CD1-CD2 4.2Å; L167-P302 HydrophobicContact CD1-CG 3.37Å; L167-V304 HydrophobicContact CD1-CG1 4.31Å; L167-Y306 HydrophobicContact CB-CE2 4.26Å; L167-Y306 PolarHBondContact N-OH 3.32Å; L167-T308 WeakPolarHBondContact O-CG2 3.42Å
168	M	91.4	Very high	93.9	Very high	67 Å²	67	23.1 Å²	23.1	33%	0.33	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-61.9	-36.8	-176.1	-76.1	-171.3	178.6	0	0	112.4	R166 Y306 A309	R166-M168 VanDerWaalsContact C-N 3.31Å; R166-M168 HydrophobicContact CG-CB 4.46Å; R166-M168 HydrophobicContact CG-CG 4.06Å; R166-M168 PolarHBondContact NE-SD 2.84Å; R166-M168 VanDerWaalsContact NH2-CE 3.28Å; R166-M168 PolarHBondContact NH2-SD 3.12Å; R166-M168 PolarHBondContact O-N 3.06Å; M168-Y306 HydrophobicContact CB-CE2 4.48Å; M168-Y306 HydrophobicContact CE-CD1 4.26Å; M168-Y306 HydrophobicContact CE-CD2 4.29Å; M168-Y306 HydrophobicContact CE-CG 4Å; M168-Y306 HydrophobicContact CG-CD2 3.58Å; M168-Y306 HydrophobicContact CG-CE2 3.69Å; M168-Y306 HydrophobicContact CG-CG 4.24Å; M168-A309 PolarHBondContact O-N 3.09Å
169	N	92.3	Very high	93.9	Very high	23 Å²	23	22 Å²	22	12%	0.123	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-93.6	10.2	178.6	-56.2	-44.4	0	0	0	112.6	L167 M172 D173 K455 T457	L167-N169 VanDerWaalsContact C-N 3.27Å; L167-N169 PolarHBondContact O-N 3.02Å; N169-M172 CarbonylContact O-C 3.5Å; N169-M172 WeakPolarHBondContact O-CA 3.42Å; N169-M172 PolarHBondContact O-N 2.97Å; N169-D173 HydrophobicContact CB-CB 4.47Å; N169-K455 PolarHBondContact OD1-NZ 2.91Å; N169-T457 HydrophobicContact CB-CG2 4.18Å
170	F	92.9	Very high	93.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.4	-177.8	177.8	-86.7	0	0	0	111.7	L167 F250 L301 T308 A309 M310	L167-F170 HydrophobicContact CB-CB 4.14Å; L167-F170 HydrophobicContact CD2-CD2 4.36Å; L167-F170 WeakPolarHBondContact O-CB 3.34Å; L167-F170 PolarHBondContact O-N 3.3Å; L167-F170 VanDerWaalsContact O-N 3.1Å; F170-F250 HydrophobicContact CE1-CD1 4.2Å; F170-F250 AromaticContact CE1-CE1 3.88Å; F170-F250 HydrophobicContact CE1-CE1 3.88Å; F170-F250 HydrophobicContact CE1-CZ 4.36Å; F170-F250 HydrophobicContact CE2-CE1 4.23Å; F170-F250 AromaticContact CE2-CZ 3.91Å; F170-F250 HydrophobicContact CE2-CZ 3.91Å; F170-F250 HydrophobicContact CZ-CD1 4.04Å; F170-F250 AromaticContact CZ-CE1 3.29Å; F170-F250 HydrophobicContact CZ-CE1 3.29Å; F170-F250 HydrophobicContact CZ-CE2 4.29Å; F170-F250 AromaticContact CZ-CZ 3.43Å; F170-F250 HydrophobicContact CZ-CZ 3.43Å; F170-F250 VanDerWaalsContact CZ-CZ 3.43Å; F170-L301 HydrophobicContact CD1-CD1 3.89Å; F170-L301 HydrophobicContact CD1-CD2 3.9Å; F170-L301 HydrophobicContact CD1-CG 4.39Å; F170-L301 HydrophobicContact CD2-CD2 3.7Å; F170-L301 HydrophobicContact CE1-CD1 3.68Å; F170-L301 HydrophobicContact CE1-CD2 3.68Å; F170-L301 HydrophobicContact CE1-CG 3.93Å; F170-L301 HydrophobicContact CE2-CD2 3.45Å; F170-L301 VanDerWaalsContact CE2-CD2 3.45Å; F170-L301 HydrophobicContact CE2-CG 4.43Å; F170-L301 HydrophobicContact CG-CD2 3.9Å; F170-L301 HydrophobicContact CZ-CD1 4.21Å; F170-L301 HydrophobicContact CZ-CD2 3.42Å; F170-L301 VanDerWaalsContact CZ-CD2 3.42Å; F170-L301 HydrophobicContact CZ-CG 3.93Å; F170-T308 HydrophobicContact CB-CG2 4.25Å; F170-A309 WeakPolarHBondContact O-CB 3.44Å; F170-M310 HydrophobicContact CD1-CB 4.2Å; F170-M310 HydrophobicContact CD1-CE 4.15Å; F170-M310 HydrophobicContact CD1-SD 4.29Å; F170-M310 HydrophobicContact CE1-CE 3.75Å; F170-M310 HydrophobicContact CE1-SD 3.8Å; F170-M310 PolarHBondContact O-N 3.27Å; F170-M310 VanDerWaalsContact O-N 3.12Å
171	P	93.4	Very high	93.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.3	12.6	7.4	30.3	-20	0	0	0	114.8	D173 R245 M247 F250 Y255	P171-D173 PolarHBondContact O-N 3.41Å; P171-R245 WeakPolarHBondContact O-CD 3.3Å; P171-M247 HydrophobicContact CB-SD 3.87Å; P171-M247 HydrophobicContact CG-CE 3.83Å; P171-M247 HydrophobicContact CG-SD 3.73Å; P171-F250 HydrophobicContact CB-CB 4.2Å; P171-F250 HydrophobicContact CB-CD1 4.21Å; P171-F250 HydrophobicContact CB-CD2 3.43Å; P171-F250 VanDerWaalsContact CB-CD2 3.43Å; P171-F250 HydrophobicContact CB-CE2 3.82Å; P171-F250 HydrophobicContact CB-CG 3.65Å; P171-F250 HydrophobicContact CB-CZ 4.35Å; P171-F250 HydrophobicContact CG-CB 3.72Å; P171-F250 HydrophobicContact CG-CD1 4.33Å; P171-F250 HydrophobicContact CG-CD2 3.95Å; P171-F250 HydrophobicContact CG-CG 3.71Å; P171-Y255 WeakPolarHBondContact CD-OH 3.34Å; P171-Y255 HydrophobicContact CG-CE2 4.01Å
172	M	92.4	Very high	93.9	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.039	11%	0.113	C	C	.	.	S	Bend	trans	-90	24.4	-179.6	-67.5	165.9	-81.5	0	0	112	N169 M247 A309 Y448 W449 Y452 L453 T457	N169-M172 CarbonylContact O-C 3.5Å; N169-M172 WeakPolarHBondContact O-CA 3.42Å; N169-M172 PolarHBondContact O-N 2.97Å; M172-M247 HydrophobicContact CB-SD 4.21Å; M172-M247 HydrophobicContact CE-CE 4.34Å; M172-M247 HydrophobicContact CG-CE 3.27Å; M172-M247 HydrophobicContact CG-CG 4.19Å; M172-M247 HydrophobicContact CG-SD 3.33Å; M172-M247 WeakPolarHBondContact CG-SD 3.47Å; M172-M247 HydrophobicContact SD-CE 3.88Å; M172-A309 HydrophobicContact CE-CB 4.46Å; M172-Y448 HydrophobicContact CE-CE1 4.06Å; M172-W449 HydrophobicContact SD-CE3 4.36Å; M172-W449 HydrophobicContact SD-CZ3 4.09Å; M172-Y452 HydrophobicContact CE-CD1 4.38Å; M172-Y452 HydrophobicContact CE-CD2 4.36Å; M172-Y452 HydrophobicContact CE-CG 3.82Å; M172-Y452 WeakPolarHBondContact SD-CB 3.34Å; M172-L453 HydrophobicContact CG-CD2 4.44Å; M172-L453 HydrophobicContact SD-CD2 3.87Å; M172-L453 HydrophobicContact SD-CG 4.31Å; M172-T457 WeakPolarHBondContact O-CB 3.48Å; M172-T457 WeakPolarHBondContact O-CG2 3.35Å; M172-T457 PolarHBondContact O-OG1 2.88Å
173	D	92.6	Very high	94	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.011	9%	0.094	C	C	.	.			trans	-85	148.3	-174.1	48.5	-17.5	0	0	0	113.5	L167 N169 P171 H175 Q244 R245	L167-D173 VanDerWaalsContact CD2-OD2 3.3Å; L167-D173 WeakPolarHBondContact CD2-OD2 3.31Å; N169-D173 HydrophobicContact CB-CB 4.47Å; P171-D173 PolarHBondContact O-N 3.41Å; D173-H175 IonicContact OD2-CE1 3.8Å; D173-H175 PolarHBondContact OD2-CE1 3.28Å; D173-H175 IonicContact OD2-NE2 3.77Å; D173-H175 PolarHBondContact OD2-NE2 3.29Å; D173-Q244 PolarHBondContact O-NE2 2.84Å; D173-R245 PolarHBondContact O-N 2.75Å; D173-R245 WeakPolarHBondContact OD1-CD 3.42Å; D173-R245 IonicContact OD1-CZ 2.93Å; D173-R245 IonicContact OD1-NE 3.37Å; D173-R245 PolarHBondContact OD1-NE 3.36Å; D173-R245 IonicContact OD1-NH2 2.73Å; D173-R245 IonicContact OD2-CZ 2.7Å; D173-R245 IonicContact OD2-NE 2.89Å; D173-R245 IonicContact OD2-NH2 3.76Å; D173-R245 PolarHBondContact OD2-NH2 2.88Å
174	G	93	Very high	93.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.9	169.9	0	0	0	0	0	110.1	L243 T457 E459	G174-L243 CarbonylContact C-O 3.53Å; G174-L243 VanDerWaalsContact CA-O 3.27Å; G174-L243 WeakPolarHBondContact CA-O 3.49Å; G174-T457 PolarHBondContact N-O 2.97Å; G174-E459 WeakPolarHBondContact O-CG 3.4Å; G174-E459 PolarHBondContact O-N 3.02Å
175	H	93.8	Very high	94.1	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.5	-174.1	-55.6	-61	0	0	0	112.3	M165 D173 L243 M458 E459	M165-H175 HydrophobicContact CG-CB 4.41Å; D173-H175 IonicContact OD2-CE1 3.8Å; D173-H175 PolarHBondContact OD2-CE1 3.28Å; D173-H175 IonicContact OD2-NE2 3.77Å; D173-H175 PolarHBondContact OD2-NE2 3.29Å; H175-L243 PolarHBondContact N-O 3.19Å; H175-L243 PolarHBondContact O-N 2.77Å; H175-M458 WeakPolarHBondContact O-CE 3.31Å; H175-E459 IonicContact CE1-OE2 3.5Å; H175-E459 IonicContact ND1-OE2 3.69Å; H175-E459 PolarHBondContact ND1-OE2 2.97Å
176	A	94.7	Very high	94.2	Very high	18 Å²	18	27 Å²	27	15%	0.149	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	93.4	171.1	0	0	0	0	0	109.4	P178 H240 F241 M458 E459	A176-P178 WeakPolarHBondContact O-CD 3.4Å; A176-H240 HydrophobicContact CB-CB 4.43Å; A176-F241 CarbonylContact C-O 3.6Å; A176-F241 WeakPolarHBondContact CA-O 3.43Å; A176-M458 HydrophobicContact CB-CE 4.34Å; A176-E459 WeakPolarHBondContact CB-O 3.46Å
177	C	95.4	Very high	94.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.9	-177.9	-71.5	0	0	0	0	111.4	Y84 C163 H240 F241 L243	Y84-C177 HydrophobicContact CD1-CB 4.13Å; Y84-C177 HydrophobicContact CE1-CB 3.8Å; C163-C177 HydrophobicContact CB-CB 3.7Å; C163-C177 WeakPolarHBondContact CB-SG 3.37Å; C163-C177 WeakPolarHBondContact SG-CA 3.38Å; C163-C177 WeakPolarHBondContact SG-CB 3.35Å; C163-C177 CovalentContact SG-SG 2.04Å; C163-C177 PolarHBondContact SG-SG 2.87Å; C177-H240 WeakPolarHBondContact O-CA 3.19Å; C177-F241 PolarHBondContact N-O 2.82Å; C177-F241 PolarHBondContact O-N 2.93Å; C177-L243 HydrophobicContact CB-CD1 4.34Å
178	P	96	Very high	94.6	Very high	18 Å²	18	24.3 Å²	24.3	12%	0.117	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	150.9	-177.6	33	-34.5	0	0	0	111.9	Y84 N127 A176 K180 T238 V239	Y84-P178 VanDerWaalsContact OH-C 3.27Å; Y84-P178 PolarHBondContact OH-O 2.96Å; N127-P178 PolarHBondContact ND2-O 3.43Å; A176-P178 WeakPolarHBondContact O-CD 3.4Å; P178-K180 HydrophobicContact CB-CG 4.38Å; P178-T238 HydrophobicContact CB-CG2 4.46Å; P178-V239 CarbonylContact C-O 3.51Å; P178-V239 VanDerWaalsContact CA-O 3.31Å; P178-V239 WeakPolarHBondContact CA-O 3.45Å
179	L	96.5	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	109.1	163.3	-179.6	66.1	0	0	0	107.3	I69 M86 F125 I159 A161 T238 V239 F241	I69-L179 HydrophobicContact CD1-CD2 4.36Å; M86-L179 HydrophobicContact CE-CB 4.29Å; M86-L179 HydrophobicContact CE-CD1 3.77Å; M86-L179 HydrophobicContact CE-CD2 3.79Å; M86-L179 HydrophobicContact CE-CG 4.15Å; M86-L179 HydrophobicContact SD-CD2 3.86Å; F125-L179 HydrophobicContact CD1-CD1 3.63Å; F125-L179 HydrophobicContact CD1-CG 4.14Å; F125-L179 HydrophobicContact CE1-CD1 4.13Å; F125-L179 HydrophobicContact CE1-CD2 4.24Å; F125-L179 HydrophobicContact CE1-CG 4.3Å; I159-L179 HydrophobicContact CG2-CD1 4.09Å; A161-L179 HydrophobicContact CB-CD1 4.17Å; L179-T238 WeakPolarHBondContact O-CA 3.35Å; L179-V239 HydrophobicContact CB-CB 4.34Å; L179-V239 PolarHBondContact N-O 3.39Å; L179-V239 PolarHBondContact O-N 2.99Å; L179-F241 HydrophobicContact CB-CE2 4.09Å; L179-F241 HydrophobicContact CD2-CE2 4.31Å
180	K	96.2	Very high	94.9	Very high	39 Å²	39	26.6 Å²	26.6	17%	0.17	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.8	-175.5	-60.7	-169.5	-179	-163	0	109.9	F125 R126 N127 P178 I236 M237 T238 D463	F125-K180 CarbonylContact C-O 3.58Å; F125-K180 WeakPolarHBondContact CA-O 3.42Å; R126-K180 HydrophobicContact CB-CB 4.18Å; R126-K180 PolarHBondContact N-O 2.91Å; N127-K180 PolarHBondContact OD1-N 3.04Å; P178-K180 HydrophobicContact CB-CG 4.38Å; K180-I236 HydrophobicContact CB-CG2 4.04Å; K180-M237 WeakPolarHBondContact CA-O 3.46Å; K180-T238 HydrophobicContact CG-CG2 4.02Å; K180-D463 IonicContact NZ-OD1 3.76Å; K180-D463 IonicContact NZ-OD2 3.58Å; K180-D463 PolarHBondContact NZ-OD2 3.37Å
181	F	97	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.2	175.3	65.6	-87.7	0	0	0	112.2	T67 I69 F90 T123 F124 F125 Y193 W195 M237	T67-F181 HydrophobicContact CG2-CE2 4.13Å; I69-F181 HydrophobicContact CD1-CE1 3.75Å; I69-F181 HydrophobicContact CD1-CZ 4.23Å; F90-F181 HydrophobicContact CE2-CD1 4.48Å; F90-F181 HydrophobicContact CE2-CD2 4.09Å; F90-F181 HydrophobicContact CE2-CE1 4.34Å; F90-F181 AromaticContact CE2-CE2 3.93Å; F90-F181 HydrophobicContact CE2-CE2 3.93Å; F90-F181 HydrophobicContact CE2-CG 4.35Å; F90-F181 HydrophobicContact CE2-CZ 4.05Å; F90-F181 AromaticContact CZ-CD2 3.81Å; F90-F181 HydrophobicContact CZ-CD2 3.81Å; F90-F181 AromaticContact CZ-CE2 3.79Å; F90-F181 HydrophobicContact CZ-CE2 3.79Å; F90-F181 HydrophobicContact CZ-CG 4.41Å; F90-F181 HydrophobicContact CZ-CZ 4.37Å; T123-F181 HydrophobicContact CG2-CB 4.29Å; T123-F181 HydrophobicContact CG2-CD2 3.89Å; F124-F181 VanDerWaalsContact O-CA 3.25Å; F124-F181 WeakPolarHBondContact O-CA 3.25Å; F124-F181 WeakPolarHBondContact O-CB 3.21Å; F125-F181 HydrophobicContact CD1-CB 3.75Å; F125-F181 HydrophobicContact CE1-CB 3.91Å; F125-F181 HydrophobicContact CE1-CD1 4.3Å; F125-F181 HydrophobicContact CE1-CG 4.3Å; F125-F181 HydrophobicContact CG-CB 4.5Å; F181-Y193 HydrophobicContact CE2-CD1 4.48Å; F181-W195 AromaticContact CE1-CH2 3.81Å; F181-W195 HydrophobicContact CE1-CH2 3.81Å; F181-W195 HydrophobicContact CE1-CZ3 4.39Å; F181-W195 AromaticContact CZ-CH2 3.73Å; F181-W195 HydrophobicContact CZ-CH2 3.73Å; F181-W195 AromaticContact CZ-CZ3 3.96Å; F181-W195 HydrophobicContact CZ-CZ3 3.96Å; F181-M237 HydrophobicContact CD1-CB 4.07Å; F181-M237 HydrophobicContact CD2-CB 3.96Å; F181-M237 HydrophobicContact CD2-CG 4.24Å; F181-M237 HydrophobicContact CE1-CB 3.61Å; F181-M237 HydrophobicContact CE2-CB 3.48Å; F181-M237 VanDerWaalsContact CE2-CB 3.48Å; F181-M237 HydrophobicContact CE2-CG 3.64Å; F181-M237 HydrophobicContact CG-CB 4.24Å; F181-M237 HydrophobicContact CZ-CB 3.3Å; F181-M237 HydrophobicContact CZ-CG 3.88Å; F181-M237 PolarHBondContact N-O 2.98Å; F181-M237 PolarHBondContact O-N 3.45Å
182	G	96.4	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-174.1	177.9	0	0	0	0	0	111.5	T123 F124	T123-G182 WeakPolarHBondContact CA-O 3.42Å; F124-G182 WeakPolarHBondContact CD1-O 3.44Å; F124-G182 PolarHBondContact N-O 3.27Å; F124-G182 PolarHBondContact O-N 2.75Å
183	S	96.7	Very high	95.3	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.8	171	176.2	0	0	0	0	110.4	D122 F124 Y186	D122-S183 VanDerWaalsContact CG-OG 3.29Å; D122-S183 WeakPolarHBondContact OD1-CB 3.45Å; D122-S183 PolarHBondContact OD1-OG 2.67Å; D122-S183 PolarHBondContact OD2-OG 2.81Å; F124-S183 WeakPolarHBondContact CE1-O 3.3Å; S183-Y186 WeakPolarHBondContact CB-O 3.45Å; S183-Y186 WeakPolarHBondContact OG-CB 3.41Å; S183-Y186 PolarHBondContact OG-N 3.25Å; S183-Y186 PolarHBondContact OG-O 3.12Å
184	Y	94.8	Very high	95.5	Very high	164 Å²	164	30 Å²	30	64%	0.643	16%	0.163	S	C	*	.	S	Bend	trans	-82	-53.3	176.2	-174.8	-98.4	0	0	0	112.1	D122 F124	D122-Y184 PolarHBondContact O-N 3.37Å; D122-Y184 PolarHBondContact OD2-N 3.16Å; F124-Y184 AromaticContact CD1-CD2 3.92Å; F124-Y184 HydrophobicContact CD1-CD2 3.92Å; F124-Y184 HydrophobicContact CD1-CG 4.27Å; F124-Y184 HydrophobicContact CD2-CD2 4.24Å; F124-Y184 VanDerWaalsContact CE1-CA 3.49Å; F124-Y184 AromaticContact CE1-CD2 3.83Å; F124-Y184 HydrophobicContact CE1-CD2 3.83Å; F124-Y184 HydrophobicContact CE1-CG 4.34Å; F124-Y184 HydrophobicContact CE2-CD2 4.12Å; F124-Y184 HydrophobicContact CG-CD2 4.13Å; F124-Y184 AromaticContact CZ-CD2 3.9Å; F124-Y184 HydrophobicContact CZ-CD2 3.9Å
185	A	95.1	Very high	95.6	Very high	56 Å²	56	31.5 Å²	31.5	46%	0.463	17%	0.169	S	C	.	.	S	Bend	trans	-99.2	-35.9	-172.8	0	0	0	0	0	112.9	D122 P187 Y234	D122-A185 WeakPolarHBondContact OD2-CB 3.32Å; D122-A185 PolarHBondContact OD2-N 3.39Å; A185-P187 WeakPolarHBondContact O-CD 3.45Å; A185-Y234 PolarHBondContact O-OH 3.46Å
186	Y	95.4	Very high	95.7	Very high	48 Å²	48	35.4 Å²	35.4	19%	0.188	19%	0.186	C	C	.	.			trans	-86.6	120.9	-171	-58.9	-80	0	0	0	112.3	W119 D122 S183 E190 I191 Y234	W119-Y186 HydrophobicContact CZ2-CE2 4.21Å; W119-Y186 AromaticContact NE1-CZ 3.99Å; W119-Y186 PolarHBondContact NE1-OH 2.84Å; D122-Y186 WeakPolarHBondContact OD1-CD2 3.35Å; S183-Y186 WeakPolarHBondContact CB-O 3.45Å; S183-Y186 WeakPolarHBondContact OG-CB 3.41Å; S183-Y186 PolarHBondContact OG-N 3.25Å; S183-Y186 PolarHBondContact OG-O 3.12Å; Y186-E190 HydrophobicContact CD1-CB 4.18Å; Y186-E190 WeakPolarHBondContact CD1-OE2 3.38Å; Y186-I191 HydrophobicContact CD1-CD1 4.13Å; Y186-I191 HydrophobicContact CD1-CG1 4.44Å; Y186-I191 HydrophobicContact CD2-CD1 3.27Å; Y186-I191 HydrophobicContact CD2-CG1 4.27Å; Y186-I191 HydrophobicContact CE2-CD1 3.9Å; Y186-I191 HydrophobicContact CG-CD1 3.39Å; Y186-I191 HydrophobicContact CG-CG1 3.89Å; Y186-Y234 VanDerWaalsContact O-CD1 3.24Å; Y186-Y234 WeakPolarHBondContact O-CD1 3.42Å; Y186-Y234 WeakPolarHBondContact O-CE1 3.44Å
187	P	95.9	Very high	95.5	Very high	23 Å²	23	39.4 Å²	39.4	15%	0.149	20%	0.2	C	C	.	.			trans	-72.8	173.8	175	31.8	-36	0	0	0	111.8	A185 S189 E190 I191 E233	A185-P187 WeakPolarHBondContact O-CD 3.45Å; P187-S189 WeakPolarHBondContact CG-OG 3.13Å; P187-S189 PolarHBondContact O-N 2.71Å; P187-S189 VanDerWaalsContact O-N 3.1Å; P187-E190 HydrophobicContact CG-CG 4.36Å; P187-E190 PolarHBondContact O-N 3.2Å; P187-I191 PolarHBondContact O-N 2.94Å; P187-E233 CarbonylContact C-O 3.51Å; P187-E233 WeakPolarHBondContact CA-O 3.02Å; P187-E233 WeakPolarHBondContact CB-O 3.04Å
188	I	95.3	Very high	95.2	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.195	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.1	178.1	-166.6	168.8	0	0	0	113.5	E190 V192 R226 E233 V235	I188-E190 PolarHBondContact O-N 2.75Å; I188-V192 HydrophobicContact CG1-CG2 4.04Å; I188-V192 WeakPolarHBondContact O-CG2 3.4Å; I188-R226 HydrophobicContact CD1-CG 4.39Å; I188-E233 HydrophobicContact CG2-CB 4.05Å; I188-E233 HydrophobicContact CG2-CG 4.3Å; I188-E233 PolarHBondContact N-O 2.88Å; I188-V235 HydrophobicContact CB-CG2 4.2Å; I188-V235 HydrophobicContact CD1-CG2 3.54Å; I188-V235 HydrophobicContact CG1-CG2 3.61Å
189	S	94.1	Very high	94.6	Very high	81 Å²	81	43.9 Å²	43.9	57%	0.566	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-6	174.6	59.1	0	0	0	0	113.8	V62 P187	V62-S189 WeakPolarHBondContact CG1-O 3.28Å; P187-S189 WeakPolarHBondContact CG-OG 3.13Å; P187-S189 PolarHBondContact O-N 2.71Å; P187-S189 VanDerWaalsContact O-N 3.1Å
190	E	94.9	Very high	93.9	Very high	56 Å²	56	51.4 Å²	51.4	26%	0.262	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-46.4	179.8	-70.6	-160	-126.7	0	0	112.6	R55 V62 T63 Y186 P187 I188	R55-E190 IonicContact NE-OE2 3.02Å; R55-E190 PolarHBondContact NE-OE2 3.08Å; R55-E190 VanDerWaalsContact NE-OE2 3.1Å; V62-E190 WeakPolarHBondContact CA-O 3.21Å; T63-E190 PolarHBondContact N-O 2.61Å; Y186-E190 HydrophobicContact CD1-CB 4.18Å; Y186-E190 WeakPolarHBondContact CD1-OE2 3.38Å; P187-E190 HydrophobicContact CG-CG 4.36Å; P187-E190 PolarHBondContact O-N 3.2Å; I188-E190 PolarHBondContact O-N 2.75Å
191	I	95.5	Very high	93.6	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.7	-178.8	-60.4	-175.9	0	0	0	110.5	T63 V65 W119 Y186 P187 Y193	T63-I191 WeakPolarHBondContact O-CA 3.43Å; V65-I191 HydrophobicContact CG2-CG2 3.87Å; W119-I191 HydrophobicContact CH2-CD1 3.78Å; W119-I191 HydrophobicContact CZ2-CD1 3.6Å; Y186-I191 HydrophobicContact CD1-CD1 4.13Å; Y186-I191 HydrophobicContact CD1-CG1 4.44Å; Y186-I191 HydrophobicContact CD2-CD1 3.27Å; Y186-I191 HydrophobicContact CD2-CG1 4.27Å; Y186-I191 HydrophobicContact CE2-CD1 3.9Å; Y186-I191 HydrophobicContact CG-CD1 3.39Å; Y186-I191 HydrophobicContact CG-CG1 3.89Å; P187-I191 PolarHBondContact O-N 2.94Å; I191-Y193 HydrophobicContact CG2-CD2 4.3Å; I191-Y193 HydrophobicContact CG2-CE2 3.88Å
192	V	96.3	Very high	93.4	Very high	35 Å²	35	52.7 Å²	52.7	21%	0.212	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.4	175.2	179.3	0	0	0	0	109.4	V62 T63 E64 V65 I188 T194 V235	V62-V192 HydrophobicContact CB-CG2 4.46Å; V62-V192 HydrophobicContact CG2-CG2 4.24Å; T63-V192 PolarHBondContact O-N 3.33Å; E64-V192 WeakPolarHBondContact CA-O 3.5Å; V65-V192 PolarHBondContact N-O 3.02Å; I188-V192 HydrophobicContact CG1-CG2 4.04Å; I188-V192 WeakPolarHBondContact O-CG2 3.4Å; V192-T194 HydrophobicContact CG1-CG2 4.14Å; V192-V235 HydrophobicContact CG1-CG2 4.37Å
193	Y	96.7	Very high	93.3	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.027	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.5	172.8	-71.3	-95.7	0	0	0	110.7	V65 T67 T123 F181 I191 M237	V65-Y193 HydrophobicContact CB-CD1 4.07Å; V65-Y193 HydrophobicContact CB-CE1 4.1Å; V65-Y193 HydrophobicContact CG1-CD1 4.02Å; V65-Y193 HydrophobicContact CG1-CE1 3.83Å; V65-Y193 WeakPolarHBondContact O-CA 3.47Å; T67-Y193 HydrophobicContact CG2-CD1 3.7Å; T67-Y193 HydrophobicContact CG2-CE1 4.23Å; T123-Y193 HydrophobicContact CG2-CE1 4.1Å; T123-Y193 WeakPolarHBondContact OG1-CE1 3.34Å; T123-Y193 PolarHBondContact OG1-OH 2.66Å; F181-Y193 HydrophobicContact CE2-CD1 4.48Å; I191-Y193 HydrophobicContact CG2-CD2 4.3Å; I191-Y193 HydrophobicContact CG2-CE2 3.88Å; Y193-M237 HydrophobicContact CG-CG 4.33Å
194	T	95.9	Very high	93.1	Very high	38 Å²	38	55.9 Å²	55.9	23%	0.233	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152	177.6	59.7	0	0	0	0	111.4	E64 V65 K66 T67 V192 K196	E64-T194 HydrophobicContact CG-CG2 4.08Å; E64-T194 WeakPolarHBondContact OE1-CB 3.46Å; E64-T194 WeakPolarHBondContact OE1-CG2 3.45Å; E64-T194 PolarHBondContact OE1-OG1 3.42Å; V65-T194 PolarHBondContact O-N 3.48Å; K66-T194 CarbonylContact C-O 3.47Å; K66-T194 VanDerWaalsContact CA-O 3.31Å; K66-T194 WeakPolarHBondContact CA-O 3.37Å; K66-T194 WeakPolarHBondContact CG-OG1 3.26Å; T67-T194 PolarHBondContact N-O 2.82Å; T67-T194 PolarHBondContact OG1-O 3.5Å; V192-T194 HydrophobicContact CG1-CG2 4.14Å; T194-K196 PolarHBondContact O-N 2.87Å
195	W	96	Very high	93	Very high	33 Å²	33	49.6 Å²	49.6	13%	0.125	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.7	177.3	-68.6	118.6	0	0	0	110.9	F181 K197 G198 S202 V203 V222 M237 V239	F181-W195 AromaticContact CE1-CH2 3.81Å; F181-W195 HydrophobicContact CE1-CH2 3.81Å; F181-W195 HydrophobicContact CE1-CZ3 4.39Å; F181-W195 AromaticContact CZ-CH2 3.73Å; F181-W195 HydrophobicContact CZ-CH2 3.73Å; F181-W195 AromaticContact CZ-CZ3 3.96Å; F181-W195 HydrophobicContact CZ-CZ3 3.96Å; W195-K197 PolarHBondContact O-N 2.84Å; W195-G198 PolarHBondContact O-N 2.85Å; W195-S202 WeakPolarHBondContact CB-OG 3.32Å; W195-S202 VanDerWaalsContact CE3-CB 3.45Å; W195-V203 HydrophobicContact CH2-CG2 4.19Å; W195-V203 HydrophobicContact CZ3-CG2 4.08Å; W195-V222 HydrophobicContact CD2-CG2 4.43Å; W195-V222 HydrophobicContact CH2-CB 4.48Å; W195-V222 HydrophobicContact CH2-CG1 4.47Å; W195-V222 HydrophobicContact CZ2-CB 3.72Å; W195-V222 HydrophobicContact CZ2-CG1 4.17Å; W195-V222 HydrophobicContact CZ2-CG2 4.32Å; W195-M237 HydrophobicContact CD2-CE 3.52Å; W195-M237 HydrophobicContact CE3-CE 4.2Å; W195-M237 HydrophobicContact CG-CE 3.67Å; W195-M237 HydrophobicContact CH2-CB 4.39Å; W195-M237 HydrophobicContact CZ2-CB 4.1Å; W195-M237 HydrophobicContact CZ2-CE 3.91Å; W195-M237 VanDerWaalsContact NE1-CE 3.32Å; W195-V239 HydrophobicContact CH2-CG2 3.47Å; W195-V239 VanDerWaalsContact CH2-CG2 3.47Å; W195-V239 HydrophobicContact CZ2-CG2 3.98Å; W195-V239 HydrophobicContact CZ3-CG2 4.5Å
196	K	94.1	Very high	92.8	Very high	84 Å²	84	49 Å²	49	37%	0.365	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-42.6	-175.2	-175.2	177.9	-177.9	167	0	114.5	K66 T67 D68 T93 T194 S202	K66-K196 HydrophobicContact CB-CB 4.08Å; K66-K196 HydrophobicContact CB-CG 4.36Å; T67-K196 WeakPolarHBondContact O-CB 3.24Å; T67-K196 PolarHBondContact O-N 2.87Å; D68-K196 HydrophobicContact CB-CB 4.34Å; D68-K196 VanDerWaalsContact OD1-CD 3.25Å; D68-K196 WeakPolarHBondContact OD1-CD 3Å; D68-K196 IonicContact OD1-NZ 3.42Å; T93-K196 PolarHBondContact OG1-NZ 2.86Å; T93-K196 VanDerWaalsContact OG1-NZ 3.17Å; T194-K196 PolarHBondContact O-N 2.87Å; K196-S202 PolarHBondContact N-OG 3.28Å; K196-S202 VanDerWaalsContact N-OG 3.15Å
197	K	90.8	Very high	92.1	Very high	102 Å²	102	55.4 Å²	55.4	44%	0.443	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	13.8	-176.7	-60.1	-178.6	-177.4	-178.1	0	112.1	W195 S201 S202 E204	W195-K197 PolarHBondContact O-N 2.84Å; K197-S201 WeakPolarHBondContact CD-O 3.27Å; K197-S202 PolarHBondContact N-OG 3.16Å; K197-E204 IonicContact NZ-OE1 2.79Å; K197-E204 PolarHBondContact NZ-OE1 3.3Å
198	G	89.9	Confident	91.5	Very high	26 Å²	26	63.4 Å²	63.4	27%	0.268	34%	0.339	S	S	.	.			trans	74.5	-179.8	-169.8	0	0	0	0	0	113.2	W195 L200 S202	W195-G198 PolarHBondContact O-N 2.85Å; G198-L200 PolarHBondContact O-N 2.87Å; G198-S202 VanDerWaalsContact O-CB 3.24Å; G198-S202 WeakPolarHBondContact O-CB 3.4Å; G198-S202 PolarHBondContact O-N 2.87Å; G198-S202 PolarHBondContact O-OG 3.08Å
199	P	82.9	Confident	90.8	Very high	86 Å²	86	62.3 Å²	62.3	56%	0.558	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.4	-166.6	22.4	-31.1	0	0	0	114.5	V222	P199-V222 HydrophobicContact CB-CG2 3.45Å; P199-V222 VanDerWaalsContact CB-CG2 3.45Å; P199-V222 WeakPolarHBondContact O-CG2 3.25Å
200	L	81.9	Confident	90	Very high	158 Å²	158	60.7 Å²	60.7	83%	0.827	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-25.1	-174.6	-65.7	172.2	0	0	0	114	G198	G198-L200 PolarHBondContact O-N 2.87Å
201	S	90	Very high	89.1	Confident	64 Å²	64	62.2 Å²	62.2	45%	0.448	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-1.5	-168.6	-54.8	0	0	0	0	114.2	K197 V203	K197-S201 WeakPolarHBondContact CD-O 3.27Å; S201-V203 VanDerWaalsContact C-N 3.3Å; S201-V203 PolarHBondContact O-N 2.86Å
202	S	93.3	Very high	88.6	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.007	34%	0.342	C	S	.	.	S	Bend	trans	-75.6	-16.4	178.1	-99.2	0	0	0	0	114.2	T67 D68 I69 W195 K196 K197 G198	T67-S202 PolarHBondContact O-OG 2.9Å; D68-S202 WeakPolarHBondContact CA-O 3.42Å; I69-S202 PolarHBondContact N-O 2.84Å; W195-S202 WeakPolarHBondContact CB-OG 3.32Å; W195-S202 VanDerWaalsContact CE3-CB 3.45Å; K196-S202 PolarHBondContact N-OG 3.28Å; K196-S202 VanDerWaalsContact N-OG 3.15Å; K197-S202 PolarHBondContact N-OG 3.16Å; G198-S202 VanDerWaalsContact O-CB 3.24Å; G198-S202 WeakPolarHBondContact O-CB 3.4Å; G198-S202 PolarHBondContact O-N 2.87Å; G198-S202 PolarHBondContact O-OG 3.08Å
203	V	94.4	Very high	88.2	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.8	175.5	-178.5	0	0	0	0	108.6	I69 W195 S201 V205 Q220 V222 V239 F241	I69-V203 HydrophobicContact CB-CG2 4.35Å; I69-V203 WeakPolarHBondContact O-CA 3.38Å; W195-V203 HydrophobicContact CH2-CG2 4.19Å; W195-V203 HydrophobicContact CZ3-CG2 4.08Å; S201-V203 VanDerWaalsContact C-N 3.3Å; S201-V203 PolarHBondContact O-N 2.86Å; V203-V205 HydrophobicContact CG1-CG2 4.48Å; V203-Q220 HydrophobicContact CB-CG 4.22Å; V203-Q220 HydrophobicContact CG1-CG 4.08Å; V203-Q220 PolarHBondContact O-NE2 3.02Å; V203-V222 HydrophobicContact CB-CG1 4.31Å; V203-V222 HydrophobicContact CG2-CG1 3.64Å; V203-V239 HydrophobicContact CG1-CG1 4.24Å; V203-V239 HydrophobicContact CG2-CG1 4.16Å; V203-V239 HydrophobicContact CG2-CG2 3.79Å; V203-F241 HydrophobicContact CG1-CE1 4.26Å; V203-F241 HydrophobicContact CG1-CZ 4.45Å
204	E	92.8	Very high	87.8	Confident	67 Å²	67	73.4 Å²	73.4	31%	0.313	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.6	-178.8	-70.7	171	-165.2	0	0	109.8	I69 F70 V71 K197	I69-E204 PolarHBondContact O-N 3.41Å; F70-E204 HydrophobicContact CD2-CB 3.85Å; F70-E204 HydrophobicContact CE2-CB 4.39Å; V71-E204 PolarHBondContact N-O 2.93Å; K197-E204 IonicContact NZ-OE1 2.79Å; K197-E204 PolarHBondContact NZ-OE1 3.3Å
205	V	92.4	Very high	87.7	Confident	33 Å²	33	71.7 Å²	71.7	20%	0.2	38%	0.384	C	S	.	.			trans	-124.3	104	173.1	-167.4	0	0	0	0	108.1	V71 V203 L217 F241	V71-V205 HydrophobicContact CB-CB 4.4Å; V71-V205 HydrophobicContact CB-CG1 4.16Å; V71-V205 HydrophobicContact CB-CG2 3.95Å; V71-V205 HydrophobicContact CG1-CG1 4.27Å; V71-V205 HydrophobicContact CG2-CG2 3.79Å; V203-V205 HydrophobicContact CG1-CG2 4.48Å; V205-L217 HydrophobicContact CB-CD2 4.31Å; V205-L217 HydrophobicContact CG1-CD2 3.67Å; V205-L217 HydrophobicContact CG2-CD2 4.37Å; V205-F241 HydrophobicContact CG2-CE1 4.33Å
206	P	89.4	Confident	87.5	Confident	42 Å²	42	73.6 Å²	73.6	27%	0.273	40%	0.396	S	S	.	.			trans	-61	145.9	172.4	-20	31.7	0	0	0	111.1	F70 V71 E208 S209	F70-P206 HydrophobicContact CE1-CG 4.11Å; F70-P206 HydrophobicContact CE2-CG 3.76Å; F70-P206 HydrophobicContact CZ-CG 3.36Å; V71-P206 WeakPolarHBondContact O-CD 3.4Å; P206-E208 PolarHBondContact O-N 2.75Å; P206-S209 VanDerWaalsContact O-CB 3.28Å; P206-S209 WeakPolarHBondContact O-CB 3.4Å; P206-S209 PolarHBondContact O-N 2.96Å
207	Q	81.7	Confident	87.4	Confident	184 Å²	184	71.2 Å²	71.2	86%	0.86	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-61.1	-33.2	178.5	-69.6	180	-19.7	0	0	112.4	S209 S210	Q207-S209 PolarHBondContact O-N 3.28Å; Q207-S210 PolarHBondContact O-N 3.14Å; Q207-S210 PolarHBondContact O-OG 3.15Å
208	E	82.9	Confident	87.4	Confident	191 Å²	191	71.9 Å²	71.9	89%	0.893	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22.3	176	-61.3	-179.9	-176.9	0	0	112.8	P206 S210	P206-E208 PolarHBondContact O-N 2.75Å; E208-S210 VanDerWaalsContact C-N 3.33Å
209	S	81	Confident	87.4	Confident	15 Å²	15	71.5 Å²	71.5	11%	0.105	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-81.6	-10.9	-178.7	-63	0	0	0	0	113.2	V71 T72 S73 F74 P206 Q207	V71-S209 PolarHBondContact O-OG 3.35Å; T72-S209 WeakPolarHBondContact O-CB 3.41Å; T72-S209 PolarHBondContact O-OG 2.8Å; S73-S209 WeakPolarHBondContact CA-O 3.38Å; F74-S209 PolarHBondContact N-O 3.08Å; P206-S209 VanDerWaalsContact O-CB 3.28Å; P206-S209 WeakPolarHBondContact O-CB 3.4Å; P206-S209 PolarHBondContact O-N 2.96Å; Q207-S209 PolarHBondContact O-N 3.28Å
210	S	77.3	Confident	87.9	Confident	47 Å²	47	70.6 Å²	70.6	33%	0.329	38%	0.379	S	S	.	.			trans	-103.6	82.5	178.7	60.1	0	0	0	0	111.3	Q207 E208	Q207-S210 PolarHBondContact O-N 3.14Å; Q207-S210 PolarHBondContact O-OG 3.15Å; E208-S210 VanDerWaalsContact C-N 3.33Å
211	S	75.3	Confident	88.4	Confident	87 Å²	87	66.3 Å²	66.3	61%	0.608	36%	0.36	S	S	*	.			trans	-108	52.7	175.6	69.5	0	0	0	0	112
212	L	85.8	Confident	88.6	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.073	35%	0.346	C	S	.	.			trans	-78.9	128.1	179.7	-75.9	169.1	0	0	0	111.3	F74 G75 V77 Y215 L217 L243 K246	F74-L212 HydrophobicContact CD1-CD1 3.72Å; F74-L212 HydrophobicContact CD1-CD2 3.89Å; F74-L212 HydrophobicContact CD1-CG 4.08Å; F74-L212 HydrophobicContact CE1-CD1 4.14Å; F74-L212 HydrophobicContact CE1-CD2 4.47Å; F74-L212 HydrophobicContact CG-CD1 4.31Å; G75-L212 WeakPolarHBondContact O-CD2 3.43Å; V77-L212 HydrophobicContact CG2-CD2 4.15Å; L212-Y215 WeakPolarHBondContact CB-O 3.25Å; L212-L217 HydrophobicContact CD1-CB 4.47Å; L212-L243 HydrophobicContact CD1-CD2 3.93Å; L212-K246 PolarHBondContact O-NZ 3.23Å; L212-K246 VanDerWaalsContact O-NZ 3.1Å
213	L	86.8	Confident	88.5	Confident	162 Å²	162	66.3 Å²	66.3	85%	0.848	36%	0.358	S	S	*	.	S	Bend	trans	-79.7	-38.9	-178.8	-63.8	176.9	0	0	0	112.9
214	Q	89.9	Confident	88.5	Confident	104 Å²	104	70.1 Å²	70.1	49%	0.486	39%	0.385	S	S	.	.	S	Bend	trans	-99.6	-21.9	-174.5	-63.9	-176.6	11.3	0	0	113.7	K246	Q214-K246 PolarHBondContact O-N 3.1Å
215	Y	92.5	Very high	88.4	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.008	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	159.4	-175.4	-68.9	-90.8	0	0	0	110.7	V77 D79 L212 L243 Q244 R245	V77-Y215 HydrophobicContact CB-CD2 3.9Å; V77-Y215 HydrophobicContact CB-CE2 3.77Å; V77-Y215 HydrophobicContact CG1-CD2 4.23Å; V77-Y215 HydrophobicContact CG1-CE2 3.68Å; V77-Y215 HydrophobicContact CG2-CD2 4.09Å; V77-Y215 HydrophobicContact CG2-CE2 4.38Å; D79-Y215 PolarHBondContact OD1-OH 3.05Å; L212-Y215 WeakPolarHBondContact CB-O 3.25Å; Y215-L243 HydrophobicContact CD1-CB 3.97Å; Y215-L243 HydrophobicContact CG-CB 4.43Å; Y215-Q244 CarbonylContact C-O 3.54Å; Y215-Q244 VanDerWaalsContact CA-O 3.24Å; Y215-Q244 WeakPolarHBondContact CA-O 3.33Å; Y215-R245 HydrophobicContact CD1-CB 4.06Å; Y215-R245 HydrophobicContact CE1-CB 3.92Å; Y215-R245 HydrophobicContact CE1-CG 4.3Å; Y215-R245 PolarHBondContact OH-NH1 3.05Å; Y215-R245 VanDerWaalsContact OH-NH1 3.09Å; Y215-R245 PolarHBondContact OH-NH2 2.88Å
216	D	91.8	Very high	88.5	Confident	73 Å²	73	76.6 Å²	76.6	39%	0.39	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.3	163.4	-72.3	-46.5	0	0	0	109	I218 L243 Q244 K246	D216-I218 HydrophobicContact CB-CD1 4.3Å; D216-I218 PolarHBondContact O-N 2.04Å; D216-L243 WeakPolarHBondContact O-CA 3.23Å; D216-Q244 PolarHBondContact N-O 2.54Å; D216-Q244 PolarHBondContact O-N 2.84Å; D216-K246 WeakPolarHBondContact OD1-CE 2.98Å; D216-K246 IonicContact OD1-NZ 2.73Å; D216-K246 PolarHBondContact OD1-NZ 3.28Å; D216-K246 WeakPolarHBondContact OD2-CE 2.76Å; D216-K246 IonicContact OD2-NZ 3.62Å
217	L	92.1	Very high	88.7	Confident	34 Å²	34	78.2 Å²	78.2	18%	0.178	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	105.9	171.4	178.9	67.3	0	0	0	108.2	F74 V205 L212 F241 L243	F74-L217 HydrophobicContact CD2-CD2 4.39Å; V205-L217 HydrophobicContact CB-CD2 4.31Å; V205-L217 HydrophobicContact CG1-CD2 3.67Å; V205-L217 HydrophobicContact CG2-CD2 4.37Å; L212-L217 HydrophobicContact CD1-CB 4.47Å; L217-F241 HydrophobicContact CD1-CB 4.02Å; L217-F241 HydrophobicContact CD1-CD1 4.21Å; L217-L243 HydrophobicContact CB-CD2 4.28Å; L217-L243 HydrophobicContact CD1-CD2 3.69Å
218	I	90.8	Very high	89.3	Confident	116 Å²	116	78.1 Å²	78.1	60%	0.595	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	-36.3	-178.3	-56.7	-57.9	0	0	0	111	D216 H242 Q244	D216-I218 HydrophobicContact CB-CD1 4.3Å; D216-I218 PolarHBondContact O-N 2.04Å; I218-H242 HydrophobicContact CB-CB 4.31Å; I218-H242 PolarHBondContact N-O 2.86Å; I218-Q244 HydrophobicContact CD1-CB 3.84Å; I218-Q244 HydrophobicContact CG1-CB 3.69Å
219	G	90.9	Very high	89.7	Confident	18 Å²	18	71.6 Å²	71.6	19%	0.186	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-167.4	178.8	0	0	0	0	0	112.8	H242	G219-H242 PolarHBondContact O-N 3.09Å
220	Q	92.1	Very high	90.3	Very high	68 Å²	68	79.2 Å²	79.2	32%	0.318	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.3	-176.9	73	-75	14.5	0	0	111	V203 V239 H240 F241	V203-Q220 HydrophobicContact CB-CG 4.22Å; V203-Q220 HydrophobicContact CG1-CG 4.08Å; V203-Q220 PolarHBondContact O-NE2 3.02Å; Q220-V239 HydrophobicContact CB-CG1 4.43Å; Q220-H240 CarbonylContact C-O 3.32Å; Q220-H240 WeakPolarHBondContact CA-O 3.16Å; Q220-F241 HydrophobicContact CB-CD1 4.11Å; Q220-F241 HydrophobicContact CB-CE1 4.36Å
221	T	93.3	Very high	91	Very high	68 Å²	68	82.1 Å²	82.1	42%	0.417	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.1	170.5	50	0	0	0	0	109.3	V239 H240 H242	T221-V239 CarbonylContact O-C 3.58Å; T221-V239 WeakPolarHBondContact O-CA 3.39Å; T221-H240 PolarHBondContact N-O 2.87Å; T221-H240 PolarHBondContact O-N 3.49Å; T221-H240 WeakPolarHBondContact OG1-CB 3.41Å; T221-H242 VanDerWaalsContact CG2-NE2 3.29Å; T221-H242 WeakPolarHBondContact CG2-NE2 3.18Å; T221-H242 PolarHBondContact OG1-NE2 2.85Å
222	V	93.9	Very high	91.9	Very high	27 Å²	27	79.1 Å²	79.1	16%	0.164	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.2	179.2	-46.8	0	0	0	0	110.5	W195 P199 V203 T238 V239	W195-V222 HydrophobicContact CD2-CG2 4.43Å; W195-V222 HydrophobicContact CH2-CB 4.48Å; W195-V222 HydrophobicContact CH2-CG1 4.47Å; W195-V222 HydrophobicContact CZ2-CB 3.72Å; W195-V222 HydrophobicContact CZ2-CG1 4.17Å; W195-V222 HydrophobicContact CZ2-CG2 4.32Å; P199-V222 HydrophobicContact CB-CG2 3.45Å; P199-V222 VanDerWaalsContact CB-CG2 3.45Å; P199-V222 WeakPolarHBondContact O-CG2 3.25Å; V203-V222 HydrophobicContact CB-CG1 4.31Å; V203-V222 HydrophobicContact CG2-CG1 3.64Å; V222-T238 CarbonylContact C-O 3.25Å; V222-T238 WeakPolarHBondContact CA-O 3.32Å; V222-V239 HydrophobicContact CG1-CG1 4.28Å; V222-V239 HydrophobicContact CG1-CG2 4.16Å
223	S	92.2	Very high	92.4	Very high	38 Å²	38	82 Å²	82	27%	0.266	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.5	178.8	52.9	0	0	0	0	109.9	T238	S223-T238 PolarHBondContact N-O 3.4Å; S223-T238 PolarHBondContact O-N 3.45Å; S223-T238 WeakPolarHBondContact OG-CB 3.46Å
224	S	92.9	Very high	92.8	Very high	82 Å²	82	74.9 Å²	74.9	57%	0.573	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	127.2	174.3	58.7	0	0	0	0	108.3	I236	S224-I236 CarbonylContact C-O 3.48Å; S224-I236 WeakPolarHBondContact CA-O 3.05Å
225	E	92.1	Very high	93.1	Very high	58 Å²	58	70.7 Å²	70.7	27%	0.271	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	152.8	-176.2	-70.2	165.2	-153.9	0	0	110	I236	E225-I236 PolarHBondContact N-O 2.98Å; E225-I236 PolarHBondContact O-N 3.41Å
226	R	94.4	Very high	93.2	Very high	179 Å²	179	70.9 Å²	70.9	68%	0.675	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.1	169.9	-62.3	-174.5	-174.1	-173.9	0.8	108.7	I188 E233 Y234	I188-R226 HydrophobicContact CD1-CG 4.39Å; R226-E233 HydrophobicContact CB-CG 4.48Å; R226-E233 WeakPolarHBondContact CB-OE1 3.32Å; R226-E233 VanDerWaalsContact CD-OE1 3.31Å; R226-E233 WeakPolarHBondContact CD-OE1 3.44Å; R226-Y234 WeakPolarHBondContact CA-O 3.06Å
227	L	92.8	Very high	93.4	Very high	76 Å²	76	67.4 Å²	67.4	40%	0.398	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.6	178.2	-175.3	74.9	0	0	0	110	E233 Y234 I236	L227-E233 WeakPolarHBondContact O-CA 3.44Å; L227-Y234 PolarHBondContact N-O 3.1Å; L227-Y234 PolarHBondContact O-N 2.96Å; L227-I236 HydrophobicContact CB-CD1 3.41Å; L227-I236 VanDerWaalsContact CB-CD1 3.41Å; L227-I236 HydrophobicContact CB-CG1 4.11Å; L227-I236 HydrophobicContact CD2-CD1 3.56Å; L227-I236 HydrophobicContact CG-CD1 4.05Å
228	K	94.2	Very high	93.6	Very high	182 Å²	182	65.8 Å²	65.8	79%	0.791	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.1	170.2	-168.7	172.8	-177.3	175.8	0	109.8
229	S	91.9	Very high	93.8	Very high	53 Å²	53	60.3 Å²	60.3	37%	0.371	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	170.7	171.9	-174.6	0	0	0	0	109.9	T231 G232	S229-T231 PolarHBondContact O-N 3.42Å; S229-G232 WeakPolarHBondContact CA-O 3.37Å; S229-G232 WeakPolarHBondContact CB-O 3.41Å; S229-G232 PolarHBondContact N-O 3.37Å; S229-G232 PolarHBondContact O-N 2.94Å
230	N	93.1	Very high	94	Very high	176 Å²	176	59.9 Å²	59.9	94%	0.941	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.4	174.3	-65.9	-9.4	0	0	0	112.3
231	T	92.8	Very high	94.1	Very high	107 Å²	107	56.7 Å²	56.7	66%	0.656	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-14.4	-178.9	54.4	0	0	0	0	113.8	S229 Y234	S229-T231 PolarHBondContact O-N 3.42Å; T231-Y234 WeakPolarHBondContact OG1-CE2 3.28Å; T231-Y234 PolarHBondContact OG1-OH 3.19Å
232	G	93.6	Very high	94.2	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-178.7	-174.8	0	0	0	0	0	113	S229 Y234	S229-G232 WeakPolarHBondContact CA-O 3.37Å; S229-G232 WeakPolarHBondContact CB-O 3.41Å; S229-G232 PolarHBondContact N-O 3.37Å; S229-G232 PolarHBondContact O-N 2.94Å; G232-Y234 WeakPolarHBondContact O-CD2 3.22Å; G232-Y234 WeakPolarHBondContact O-CE2 3.49Å
233	E	96.3	Very high	94.2	Very high	75 Å²	75	53.9 Å²	53.9	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.7	174.8	-170.5	177.4	178.4	0	0	110	P187 I188 R226 L227	P187-E233 CarbonylContact C-O 3.51Å; P187-E233 WeakPolarHBondContact CA-O 3.02Å; P187-E233 WeakPolarHBondContact CB-O 3.04Å; I188-E233 HydrophobicContact CG2-CB 4.05Å; I188-E233 HydrophobicContact CG2-CG 4.3Å; I188-E233 PolarHBondContact N-O 2.88Å; R226-E233 HydrophobicContact CB-CG 4.48Å; R226-E233 WeakPolarHBondContact CB-OE1 3.32Å; R226-E233 VanDerWaalsContact CD-OE1 3.31Å; R226-E233 WeakPolarHBondContact CD-OE1 3.44Å; L227-E233 WeakPolarHBondContact O-CA 3.44Å
234	Y	95.8	Very high	94.2	Very high	13 Å²	13	54.7 Å²	54.7	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.1	-174.6	-63.8	-96.1	0	0	0	110.9	A185 Y186 R226 L227 T231 G232	A185-Y234 PolarHBondContact O-OH 3.46Å; Y186-Y234 VanDerWaalsContact O-CD1 3.24Å; Y186-Y234 WeakPolarHBondContact O-CD1 3.42Å; Y186-Y234 WeakPolarHBondContact O-CE1 3.44Å; R226-Y234 WeakPolarHBondContact CA-O 3.06Å; L227-Y234 PolarHBondContact N-O 3.1Å; L227-Y234 PolarHBondContact O-N 2.96Å; T231-Y234 WeakPolarHBondContact OG1-CE2 3.28Å; T231-Y234 PolarHBondContact OG1-OH 3.19Å; G232-Y234 WeakPolarHBondContact O-CD2 3.22Å; G232-Y234 WeakPolarHBondContact O-CE2 3.49Å
235	V	95.1	Very high	94.2	Very high	15 Å²	15	51.1 Å²	51.1	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.5	170.1	179.7	0	0	0	0	109.1	I188 V192 M237	I188-V235 HydrophobicContact CB-CG2 4.2Å; I188-V235 HydrophobicContact CD1-CG2 3.54Å; I188-V235 HydrophobicContact CG1-CG2 3.61Å; V192-V235 HydrophobicContact CG1-CG2 4.37Å; V235-M237 HydrophobicContact CG1-SD 4.08Å
236	I	95.9	Very high	94.2	Very high	6 Å²	6	52 Å²	52	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.2	175.6	-58.2	-178.3	0	0	0	108.4	K180 S224 E225 L227	K180-I236 HydrophobicContact CB-CG2 4.04Å; S224-I236 CarbonylContact C-O 3.48Å; S224-I236 WeakPolarHBondContact CA-O 3.05Å; E225-I236 PolarHBondContact N-O 2.98Å; E225-I236 PolarHBondContact O-N 3.41Å; L227-I236 HydrophobicContact CB-CD1 3.41Å; L227-I236 VanDerWaalsContact CB-CD1 3.41Å; L227-I236 HydrophobicContact CB-CG1 4.11Å; L227-I236 HydrophobicContact CD2-CD1 3.56Å; L227-I236 HydrophobicContact CG-CD1 4.05Å
237	M	95.8	Very high	94.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128	172	-54	-58.1	-77.3	0	0	107.8	K180 F181 Y193 W195 V235	K180-M237 WeakPolarHBondContact CA-O 3.46Å; F181-M237 HydrophobicContact CD1-CB 4.07Å; F181-M237 HydrophobicContact CD2-CB 3.96Å; F181-M237 HydrophobicContact CD2-CG 4.24Å; F181-M237 HydrophobicContact CE1-CB 3.61Å; F181-M237 HydrophobicContact CE2-CB 3.48Å; F181-M237 VanDerWaalsContact CE2-CB 3.48Å; F181-M237 HydrophobicContact CE2-CG 3.64Å; F181-M237 HydrophobicContact CG-CB 4.24Å; F181-M237 HydrophobicContact CZ-CB 3.3Å; F181-M237 HydrophobicContact CZ-CG 3.88Å; F181-M237 PolarHBondContact N-O 2.98Å; F181-M237 PolarHBondContact O-N 3.45Å; Y193-M237 HydrophobicContact CG-CG 4.33Å; W195-M237 HydrophobicContact CD2-CE 3.52Å; W195-M237 HydrophobicContact CE3-CE 4.2Å; W195-M237 HydrophobicContact CG-CE 3.67Å; W195-M237 HydrophobicContact CH2-CB 4.39Å; W195-M237 HydrophobicContact CZ2-CB 4.1Å; W195-M237 HydrophobicContact CZ2-CE 3.91Å; W195-M237 VanDerWaalsContact NE1-CE 3.32Å; V235-M237 HydrophobicContact CG1-SD 4.08Å
238	T	95.6	Very high	94	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	-176.4	-58.1	0	0	0	0	109.5	P178 L179 K180 V222 S223 H240	P178-T238 HydrophobicContact CB-CG2 4.46Å; L179-T238 WeakPolarHBondContact O-CA 3.35Å; K180-T238 HydrophobicContact CG-CG2 4.02Å; V222-T238 CarbonylContact C-O 3.25Å; V222-T238 WeakPolarHBondContact CA-O 3.32Å; S223-T238 PolarHBondContact N-O 3.4Å; S223-T238 PolarHBondContact O-N 3.45Å; S223-T238 WeakPolarHBondContact OG-CB 3.46Å; T238-H240 WeakPolarHBondContact CG2-CE1 3.35Å
239	V	95.8	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	168.5	-175.6	0	0	0	0	108.1	I69 P178 L179 W195 V203 Q220 T221 V222 F241	I69-V239 HydrophobicContact CD1-CG2 4.33Å; P178-V239 CarbonylContact C-O 3.51Å; P178-V239 VanDerWaalsContact CA-O 3.31Å; P178-V239 WeakPolarHBondContact CA-O 3.45Å; L179-V239 HydrophobicContact CB-CB 4.34Å; L179-V239 PolarHBondContact N-O 3.39Å; L179-V239 PolarHBondContact O-N 2.99Å; W195-V239 HydrophobicContact CH2-CG2 3.47Å; W195-V239 VanDerWaalsContact CH2-CG2 3.47Å; W195-V239 HydrophobicContact CZ2-CG2 3.98Å; W195-V239 HydrophobicContact CZ3-CG2 4.5Å; V203-V239 HydrophobicContact CG1-CG1 4.24Å; V203-V239 HydrophobicContact CG2-CG1 4.16Å; V203-V239 HydrophobicContact CG2-CG2 3.79Å; Q220-V239 HydrophobicContact CB-CG1 4.43Å; T221-V239 CarbonylContact O-C 3.58Å; T221-V239 WeakPolarHBondContact O-CA 3.39Å; V222-V239 HydrophobicContact CG1-CG1 4.28Å; V222-V239 HydrophobicContact CG1-CG2 4.16Å; V239-F241 HydrophobicContact CB-CE2 4.27Å; V239-F241 HydrophobicContact CB-CZ 4.46Å; V239-F241 HydrophobicContact CG1-CD1 4.48Å; V239-F241 HydrophobicContact CG1-CD2 4.29Å; V239-F241 HydrophobicContact CG1-CE1 4.02Å; V239-F241 HydrophobicContact CG1-CE2 3.81Å; V239-F241 HydrophobicContact CG1-CZ 3.67Å
240	H	94.9	Very high	94	Very high	10 Å²	10	39 Å²	39	5%	0.046	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.7	170.1	-65.1	96	0	0	0	109.2	A176 C177 Q220 T221 T238	A176-H240 HydrophobicContact CB-CB 4.43Å; C177-H240 WeakPolarHBondContact O-CA 3.19Å; Q220-H240 CarbonylContact C-O 3.32Å; Q220-H240 WeakPolarHBondContact CA-O 3.16Å; T221-H240 PolarHBondContact N-O 2.87Å; T221-H240 PolarHBondContact O-N 3.49Å; T221-H240 WeakPolarHBondContact OG1-CB 3.41Å; T238-H240 WeakPolarHBondContact CG2-CE1 3.35Å
241	F	94.6	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.6	171	-63	-79	0	0	0	109.1	V71 F74 Y84 M86 A176 C177 L179 V203 V205 L217 Q220 V239 L243	V71-F241 HydrophobicContact CG2-CE1 4.2Å; V71-F241 HydrophobicContact CG2-CZ 4.24Å; F74-F241 HydrophobicContact CE2-CB 3.99Å; F74-F241 AromaticContact CE2-CD1 3.91Å; F74-F241 HydrophobicContact CE2-CD1 3.91Å; F74-F241 HydrophobicContact CE2-CD2 4.14Å; F74-F241 HydrophobicContact CE2-CE1 4.41Å; F74-F241 AromaticContact CE2-CG 3.75Å; F74-F241 HydrophobicContact CE2-CG 3.75Å; F74-F241 HydrophobicContact CZ-CB 4.27Å; F74-F241 HydrophobicContact CZ-CG 4.41Å; Y84-F241 HydrophobicContact CE2-CD2 4.12Å; M86-F241 HydrophobicContact CE-CE2 4.05Å; M86-F241 HydrophobicContact SD-CE2 4.09Å; M86-F241 HydrophobicContact SD-CZ 4.28Å; A176-F241 CarbonylContact C-O 3.6Å; A176-F241 WeakPolarHBondContact CA-O 3.43Å; C177-F241 PolarHBondContact N-O 2.82Å; C177-F241 PolarHBondContact O-N 2.93Å; L179-F241 HydrophobicContact CB-CE2 4.09Å; L179-F241 HydrophobicContact CD2-CE2 4.31Å; V203-F241 HydrophobicContact CG1-CE1 4.26Å; V203-F241 HydrophobicContact CG1-CZ 4.45Å; V205-F241 HydrophobicContact CG2-CE1 4.33Å; L217-F241 HydrophobicContact CD1-CB 4.02Å; L217-F241 HydrophobicContact CD1-CD1 4.21Å; Q220-F241 HydrophobicContact CB-CD1 4.11Å; Q220-F241 HydrophobicContact CB-CE1 4.36Å; V239-F241 HydrophobicContact CB-CE2 4.27Å; V239-F241 HydrophobicContact CB-CZ 4.46Å; V239-F241 HydrophobicContact CG1-CD1 4.48Å; V239-F241 HydrophobicContact CG1-CD2 4.29Å; V239-F241 HydrophobicContact CG1-CE1 4.02Å; V239-F241 HydrophobicContact CG1-CE2 3.81Å; V239-F241 HydrophobicContact CG1-CZ 3.67Å; F241-L243 PolarHBondContact O-N 2.78Å
242	H	94.1	Very high	94.1	Very high	36 Å²	36	34.4 Å²	34.4	17%	0.167	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.4	-179	-61.7	-67.6	0	0	0	109.7	I218 G219 T221 M458	I218-H242 HydrophobicContact CB-CB 4.31Å; I218-H242 PolarHBondContact N-O 2.86Å; G219-H242 PolarHBondContact O-N 3.09Å; T221-H242 VanDerWaalsContact CG2-NE2 3.29Å; T221-H242 WeakPolarHBondContact CG2-NE2 3.18Å; T221-H242 PolarHBondContact OG1-NE2 2.85Å; H242-M458 HydrophobicContact CB-CE 3.7Å; H242-M458 HydrophobicContact CB-SD 3.85Å
243	L	93.7	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.1	-177.9	-57.7	177	0	0	0	109.8	F74 V77 G174 H175 C177 L212 Y215 D216 L217 F241	F74-L243 HydrophobicContact CE1-CD1 4.24Å; F74-L243 HydrophobicContact CE1-CD2 4.13Å; F74-L243 HydrophobicContact CZ-CD1 4.17Å; F74-L243 HydrophobicContact CZ-CD2 4Å; V77-L243 HydrophobicContact CG2-CD1 3.91Å; G174-L243 CarbonylContact C-O 3.53Å; G174-L243 VanDerWaalsContact CA-O 3.27Å; G174-L243 WeakPolarHBondContact CA-O 3.49Å; H175-L243 PolarHBondContact N-O 3.19Å; H175-L243 PolarHBondContact O-N 2.77Å; C177-L243 HydrophobicContact CB-CD1 4.34Å; L212-L243 HydrophobicContact CD1-CD2 3.93Å; Y215-L243 HydrophobicContact CD1-CB 3.97Å; Y215-L243 HydrophobicContact CG-CB 4.43Å; D216-L243 WeakPolarHBondContact O-CA 3.23Å; L217-L243 HydrophobicContact CB-CD2 4.28Å; L217-L243 HydrophobicContact CD1-CD2 3.69Å; F241-L243 PolarHBondContact O-N 2.78Å
244	Q	92.8	Very high	93.8	Very high	55 Å²	55	34.2 Å²	34.2	26%	0.257	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.7	174.8	-173.6	66.4	31.4	0	0	109.9	D173 Y215 D216 I218 T457	D173-Q244 PolarHBondContact O-NE2 2.84Å; Y215-Q244 CarbonylContact C-O 3.54Å; Y215-Q244 VanDerWaalsContact CA-O 3.24Å; Y215-Q244 WeakPolarHBondContact CA-O 3.33Å; D216-Q244 PolarHBondContact N-O 2.54Å; D216-Q244 PolarHBondContact O-N 2.84Å; I218-Q244 HydrophobicContact CD1-CB 3.84Å; I218-Q244 HydrophobicContact CG1-CB 3.69Å; Q244-T457 PolarHBondContact NE2-OG1 3.3Å
245	R	93.4	Very high	93.8	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	141.5	-179.6	-167.4	-177.8	-55	-87	2.6	112.4	D79 P171 D173 Y215 F250	D79-R245 IonicContact OD1-NH1 3.34Å; D79-R245 IonicContact OD1-NH2 3.76Å; D79-R245 IonicContact OD2-CZ 2.67Å; D79-R245 IonicContact OD2-NH1 3.97Å; D79-R245 PolarHBondContact OD2-NH1 2.71Å; D79-R245 IonicContact OD2-NH2 2.95Å; D79-R245 PolarHBondContact OD2-NH2 3.34Å; P171-R245 WeakPolarHBondContact O-CD 3.3Å; D173-R245 PolarHBondContact O-N 2.75Å; D173-R245 WeakPolarHBondContact OD1-CD 3.42Å; D173-R245 IonicContact OD1-CZ 2.93Å; D173-R245 IonicContact OD1-NE 3.37Å; D173-R245 PolarHBondContact OD1-NE 3.36Å; D173-R245 IonicContact OD1-NH2 2.73Å; D173-R245 IonicContact OD2-CZ 2.7Å; D173-R245 IonicContact OD2-NE 2.89Å; D173-R245 IonicContact OD2-NH2 3.76Å; D173-R245 PolarHBondContact OD2-NH2 2.88Å; Y215-R245 HydrophobicContact CD1-CB 4.06Å; Y215-R245 HydrophobicContact CE1-CB 3.92Å; Y215-R245 HydrophobicContact CE1-CG 4.3Å; Y215-R245 PolarHBondContact OH-NH1 3.05Å; Y215-R245 VanDerWaalsContact OH-NH1 3.09Å; Y215-R245 PolarHBondContact OH-NH2 2.88Å; R245-F250 HydrophobicContact CG-CE2 4.3Å
246	K	92.6	Very high	93.8	Very high	78 Å²	78	37.3 Å²	37.3	34%	0.339	19%	0.189	S	C	.	.			trans	-79.1	124.2	170.5	-69.7	177.2	178.5	162.7	0	111.3	L212 Q214 D216	L212-K246 PolarHBondContact O-NZ 3.23Å; L212-K246 VanDerWaalsContact O-NZ 3.1Å; Q214-K246 PolarHBondContact O-N 3.1Å; D216-K246 WeakPolarHBondContact OD1-CE 2.98Å; D216-K246 IonicContact OD1-NZ 2.73Å; D216-K246 PolarHBondContact OD1-NZ 3.28Å; D216-K246 WeakPolarHBondContact OD2-CE 2.76Å; D216-K246 IonicContact OD2-NZ 3.62Å
247	M	91.4	Very high	93.8	Very high	36 Å²	36	38.8 Å²	38.8	18%	0.177	20%	0.2	C	C	.	.			trans	-80.3	-21.4	-177	-73.9	-64.2	-69.1	0	0	115.1	P171 M172 F249 F250 L251 Y255 W449	P171-M247 HydrophobicContact CB-SD 3.87Å; P171-M247 HydrophobicContact CG-CE 3.83Å; P171-M247 HydrophobicContact CG-SD 3.73Å; M172-M247 HydrophobicContact CB-SD 4.21Å; M172-M247 HydrophobicContact CE-CE 4.34Å; M172-M247 HydrophobicContact CG-CE 3.27Å; M172-M247 HydrophobicContact CG-CG 4.19Å; M172-M247 HydrophobicContact CG-SD 3.33Å; M172-M247 WeakPolarHBondContact CG-SD 3.47Å; M172-M247 HydrophobicContact SD-CE 3.88Å; M247-F249 VanDerWaalsContact C-N 3.32Å; M247-F249 PolarHBondContact O-N 3.1Å; M247-F250 PolarHBondContact O-N 3.31Å; M247-L251 WeakPolarHBondContact O-CG 3.03Å; M247-L251 PolarHBondContact O-N 2.98Å; M247-L251 VanDerWaalsContact O-N 3.11Å; M247-Y255 HydrophobicContact CE-CE2 4.39Å; M247-W449 HydrophobicContact CE-CH2 4.49Å; M247-W449 HydrophobicContact CE-CZ3 4.13Å
248	G	91.6	Very high	93.8	Very high	42 Å²	42	38.8 Å²	38.8	43%	0.433	20%	0.199	S	C	.	.	H	α-helix	trans	-57.2	-39.9	-167.4	0	0	0	0	0	114.6	L251 I252	G248-L251 PolarHBondContact O-N 2.79Å; G248-I252 WeakPolarHBondContact O-CG1 3.24Å; G248-I252 PolarHBondContact O-N 3.29Å
249	F	92.2	Very high	93.9	Very high	118 Å²	118	40.9 Å²	40.9	52%	0.518	21%	0.21	S	C	.	.	H	α-helix	trans	-63.3	-48.2	178.9	176	-103.9	0	0	0	112.4	M247 L251 I252 Q253	M247-F249 VanDerWaalsContact C-N 3.32Å; M247-F249 PolarHBondContact O-N 3.1Å; F249-L251 VanDerWaalsContact C-N 3.32Å; F249-L251 PolarHBondContact O-N 2.89Å; F249-I252 PolarHBondContact O-N 2.93Å; F249-Q253 WeakPolarHBondContact O-CB 3.09Å; F249-Q253 PolarHBondContact O-N 2.92Å
250	F	93	Very high	93.9	Very high	21 Å²	21	45.6 Å²	45.6	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-68.4	-31.8	-178.9	-60.4	-76	0	0	0	112.5	F170 P171 R245 M247 T254 Y255	F170-F250 HydrophobicContact CE1-CD1 4.2Å; F170-F250 AromaticContact CE1-CE1 3.88Å; F170-F250 HydrophobicContact CE1-CE1 3.88Å; F170-F250 HydrophobicContact CE1-CZ 4.36Å; F170-F250 HydrophobicContact CE2-CE1 4.23Å; F170-F250 AromaticContact CE2-CZ 3.91Å; F170-F250 HydrophobicContact CE2-CZ 3.91Å; F170-F250 HydrophobicContact CZ-CD1 4.04Å; F170-F250 AromaticContact CZ-CE1 3.29Å; F170-F250 HydrophobicContact CZ-CE1 3.29Å; F170-F250 HydrophobicContact CZ-CE2 4.29Å; F170-F250 AromaticContact CZ-CZ 3.43Å; F170-F250 HydrophobicContact CZ-CZ 3.43Å; F170-F250 VanDerWaalsContact CZ-CZ 3.43Å; P171-F250 HydrophobicContact CB-CB 4.2Å; P171-F250 HydrophobicContact CB-CD1 4.21Å; P171-F250 HydrophobicContact CB-CD2 3.43Å; P171-F250 VanDerWaalsContact CB-CD2 3.43Å; P171-F250 HydrophobicContact CB-CE2 3.82Å; P171-F250 HydrophobicContact CB-CG 3.65Å; P171-F250 HydrophobicContact CB-CZ 4.35Å; P171-F250 HydrophobicContact CG-CB 3.72Å; P171-F250 HydrophobicContact CG-CD1 4.33Å; P171-F250 HydrophobicContact CG-CD2 3.95Å; P171-F250 HydrophobicContact CG-CG 3.71Å; R245-F250 HydrophobicContact CG-CE2 4.3Å; M247-F250 PolarHBondContact O-N 3.31Å; F250-T254 WeakPolarHBondContact O-CA 3.13Å; F250-T254 WeakPolarHBondContact O-CB 3.32Å; F250-T254 PolarHBondContact O-N 2.99Å; F250-Y255 HydrophobicContact CB-CD2 4.44Å; F250-Y255 HydrophobicContact CB-CE2 4.32Å; F250-Y255 WeakPolarHBondContact O-CD2 3.01Å; F250-Y255 PolarHBondContact O-N 2.94Å; F250-Y255 VanDerWaalsContact O-N 3.09Å
251	L	93.5	Very high	93.9	Very high	61 Å²	61	45.6 Å²	45.6	32%	0.319	23%	0.234	S	C	.	.	I	π-helix	trans	-59.8	-49.8	173.3	-73	174.9	0	0	0	111.4	M247 G248 F249 Y255 I256 W449	M247-L251 WeakPolarHBondContact O-CG 3.03Å; M247-L251 PolarHBondContact O-N 2.98Å; M247-L251 VanDerWaalsContact O-N 3.11Å; G248-L251 PolarHBondContact O-N 2.79Å; F249-L251 VanDerWaalsContact C-N 3.32Å; F249-L251 PolarHBondContact O-N 2.89Å; L251-Y255 HydrophobicContact CD2-CD2 4.14Å; L251-Y255 HydrophobicContact CD2-CG 4.35Å; L251-I256 WeakPolarHBondContact O-CB 3.27Å; L251-I256 VanDerWaalsContact O-CG1 3.28Å; L251-I256 WeakPolarHBondContact O-CG1 3.35Å; L251-I256 PolarHBondContact O-N 3.36Å; L251-W449 HydrophobicContact CD2-CH2 3.43Å; L251-W449 VanDerWaalsContact CD2-CH2 3.43Å; L251-W449 HydrophobicContact CD2-CZ2 4.01Å; L251-W449 HydrophobicContact CD2-CZ3 4.2Å
252	I	93.9	Very high	94	Very high	125 Å²	125	45.6 Å²	45.6	64%	0.641	23%	0.234	S	C	*	.	I	π-helix	trans	-72.7	-42.6	-176.5	-62.7	168.5	0	0	0	111.4	G248 F249 P257	G248-I252 WeakPolarHBondContact O-CG1 3.24Å; G248-I252 PolarHBondContact O-N 3.29Å; F249-I252 PolarHBondContact O-N 2.93Å; I252-P257 VanDerWaalsContact O-CD 3.25Å; I252-P257 WeakPolarHBondContact O-CD 3.36Å
253	Q	91.3	Very high	94.1	Very high	86 Å²	86	47.5 Å²	47.5	40%	0.402	25%	0.245	S	C	.	.	I	π-helix	trans	-85	-29.8	-172.5	-162.4	-175.8	21.2	0	0	113.9	F249 P257	F249-Q253 WeakPolarHBondContact O-CB 3.09Å; F249-Q253 PolarHBondContact O-N 2.92Å; Q253-P257 WeakPolarHBondContact O-CG 3.19Å
254	T	93.1	Very high	94.1	Very high	8 Å²	8	51.5 Å²	51.5	5%	0.049	27%	0.266	C	S	.	.	I	π-helix	trans	-120.6	-59.9	-171.7	-50	0	0	0	0	112.3	F250 P257 C258 A297 M310 I314	F250-T254 WeakPolarHBondContact O-CA 3.13Å; F250-T254 WeakPolarHBondContact O-CB 3.32Å; F250-T254 PolarHBondContact O-N 2.99Å; T254-P257 WeakPolarHBondContact O-CD 3.42Å; T254-C258 WeakPolarHBondContact O-CB 3.26Å; T254-C258 PolarHBondContact O-N 3.33Å; T254-C258 PolarHBondContact O-SG 3.17Å; T254-A297 HydrophobicContact CG2-CB 4.1Å; T254-M310 HydrophobicContact CG2-CG 4.31Å; T254-M310 HydrophobicContact CG2-SD 4.05Å; T254-I314 HydrophobicContact CG2-CD1 4.03Å; T254-I314 HydrophobicContact CG2-CG1 4.45Å
255	Y	95.3	Very high	94.1	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	26%	0.255	C	S	.	.	I	π-helix	trans	-65.4	-48.2	-171.9	-71.7	-84.3	0	0	0	112.9	P171 M247 F250 L251 C258 I259 F313 Y448 W449	P171-Y255 WeakPolarHBondContact CD-OH 3.34Å; P171-Y255 HydrophobicContact CG-CE2 4.01Å; M247-Y255 HydrophobicContact CE-CE2 4.39Å; F250-Y255 HydrophobicContact CB-CD2 4.44Å; F250-Y255 HydrophobicContact CB-CE2 4.32Å; F250-Y255 WeakPolarHBondContact O-CD2 3.01Å; F250-Y255 PolarHBondContact O-N 2.94Å; F250-Y255 VanDerWaalsContact O-N 3.09Å; L251-Y255 HydrophobicContact CD2-CD2 4.14Å; L251-Y255 HydrophobicContact CD2-CG 4.35Å; Y255-C258 PolarHBondContact O-N 3.49Å; Y255-I259 WeakPolarHBondContact O-CB 3.35Å; Y255-I259 VanDerWaalsContact O-CG1 3.29Å; Y255-I259 WeakPolarHBondContact O-CG1 3.47Å; Y255-I259 PolarHBondContact O-N 3.41Å; Y255-F313 AromaticContact CD1-CD1 3.54Å; Y255-F313 HydrophobicContact CD1-CD1 3.54Å; Y255-F313 HydrophobicContact CD1-CD2 4.08Å; Y255-F313 AromaticContact CD1-CE1 3.5Å; Y255-F313 HydrophobicContact CD1-CE1 3.5Å; Y255-F313 VanDerWaalsContact CD1-CE1 3.5Å; Y255-F313 HydrophobicContact CD1-CE2 4.04Å; Y255-F313 AromaticContact CD1-CG 3.84Å; Y255-F313 HydrophobicContact CD1-CG 3.84Å; Y255-F313 AromaticContact CD1-CZ 3.76Å; Y255-F313 HydrophobicContact CD1-CZ 3.76Å; Y255-F313 HydrophobicContact CE1-CB 3.98Å; Y255-F313 AromaticContact CE1-CD1 3.68Å; Y255-F313 HydrophobicContact CE1-CD1 3.68Å; Y255-F313 AromaticContact CE1-CD2 3.87Å; Y255-F313 HydrophobicContact CE1-CD2 3.87Å; Y255-F313 HydrophobicContact CE1-CE1 4.11Å; Y255-F313 HydrophobicContact CE1-CE2 4.28Å; Y255-F313 AromaticContact CE1-CG 3.55Å; Y255-F313 HydrophobicContact CE1-CG 3.55Å; Y255-F313 HydrophobicContact CE1-CZ 4.39Å; Y255-F313 HydrophobicContact CG-CE1 4.46Å; Y255-Y448 AromaticContact CE1-CE1 3.66Å; Y255-Y448 HydrophobicContact CE1-CE1 3.66Å; Y255-Y448 AromaticContact CE1-CZ 3.95Å; Y255-Y448 PolarHBondContact OH-OH 2.92Å; Y255-W449 AromaticContact CD1-CH2 3.78Å; Y255-W449 HydrophobicContact CD1-CH2 3.78Å; Y255-W449 AromaticContact CD1-CZ2 3.59Å; Y255-W449 HydrophobicContact CD1-CZ2 3.59Å; Y255-W449 HydrophobicContact CD2-CH2 4.07Å; Y255-W449 AromaticContact CE1-CH2 3.86Å; Y255-W449 HydrophobicContact CE1-CH2 3.86Å; Y255-W449 AromaticContact CE1-CZ2 3.97Å; Y255-W449 HydrophobicContact CE1-CZ2 3.97Å; Y255-W449 HydrophobicContact CE2-CH2 4.15Å; Y255-W449 AromaticContact CG-CH2 3.9Å; Y255-W449 HydrophobicContact CG-CH2 3.9Å; Y255-W449 AromaticContact CG-CZ2 3.93Å; Y255-W449 HydrophobicContact CG-CZ2 3.93Å
256	I	96	Very high	94.1	Very high	92 Å²	92	49.9 Å²	49.9	47%	0.472	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-50.4	179.6	-70.8	170.9	0	0	0	111	L251 C258 I259 M260	L251-I256 WeakPolarHBondContact O-CB 3.27Å; L251-I256 VanDerWaalsContact O-CG1 3.28Å; L251-I256 WeakPolarHBondContact O-CG1 3.35Å; L251-I256 PolarHBondContact O-N 3.36Å; I256-C258 VanDerWaalsContact C-N 3.35Å; I256-C258 PolarHBondContact O-N 3.33Å; I256-I259 PolarHBondContact O-N 2.72Å; I256-M260 HydrophobicContact CG2-CG 4.32Å; I256-M260 WeakPolarHBondContact O-CB 3.19Å; I256-M260 VanDerWaalsContact O-CG 3.28Å; I256-M260 WeakPolarHBondContact O-CG 3.36Å; I256-M260 PolarHBondContact O-N 3.02Å
257	P	96.1	Very high	94	Very high	38 Å²	38	49.2 Å²	49.2	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-39	175	-29.7	38.3	0	0	0	114.4	I252 Q253 T254 M260 T261 L293	I252-P257 VanDerWaalsContact O-CD 3.25Å; I252-P257 WeakPolarHBondContact O-CD 3.36Å; Q253-P257 WeakPolarHBondContact O-CG 3.19Å; T254-P257 WeakPolarHBondContact O-CD 3.42Å; P257-M260 PolarHBondContact O-N 3.48Å; P257-T261 WeakPolarHBondContact O-CB 3.28Å; P257-T261 PolarHBondContact O-N 3Å; P257-T261 PolarHBondContact O-OG1 2.84Å; P257-L293 HydrophobicContact CB-CD1 3.95Å; P257-L293 HydrophobicContact CB-CD2 4.06Å
258	C	96.1	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-46.8	175.9	-75.7	0	0	0	0	111.9	T254 Y255 I256 M260 T261 V262 M290 F313	T254-C258 WeakPolarHBondContact O-CB 3.26Å; T254-C258 PolarHBondContact O-N 3.33Å; T254-C258 PolarHBondContact O-SG 3.17Å; Y255-C258 PolarHBondContact O-N 3.49Å; I256-C258 VanDerWaalsContact C-N 3.35Å; I256-C258 PolarHBondContact O-N 3.33Å; C258-M260 VanDerWaalsContact C-N 3.34Å; C258-M260 PolarHBondContact O-N 2.78Å; C258-T261 PolarHBondContact O-N 3.46Å; C258-V262 WeakPolarHBondContact O-CG2 3.43Å; C258-V262 PolarHBondContact O-N 3.44Å; C258-M290 HydrophobicContact CB-CE 4.46Å; C258-F313 HydrophobicContact CB-CE1 3.97Å
259	I	96.6	Very high	93.9	Very high	44 Å²	44	45.8 Å²	45.8	23%	0.226	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-46.5	176.3	-70.2	165.9	0	0	0	110.4	Y255 I256 T261 V262 I263 F313 F441	Y255-I259 WeakPolarHBondContact O-CB 3.35Å; Y255-I259 VanDerWaalsContact O-CG1 3.29Å; Y255-I259 WeakPolarHBondContact O-CG1 3.47Å; Y255-I259 PolarHBondContact O-N 3.41Å; I256-I259 PolarHBondContact O-N 2.72Å; I259-T261 VanDerWaalsContact C-N 3.31Å; I259-T261 PolarHBondContact O-N 2.81Å; I259-V262 PolarHBondContact O-N 3.12Å; I259-I263 HydrophobicContact CG2-CD1 3.84Å; I259-I263 WeakPolarHBondContact O-CG1 3.26Å; I259-I263 PolarHBondContact O-N 2.73Å; I259-F313 HydrophobicContact CD1-CZ 4.22Å; I259-F313 HydrophobicContact CG1-CE1 4.45Å; I259-F313 HydrophobicContact CG1-CZ 3.89Å; I259-F441 HydrophobicContact CG1-CE1 4.34Å; I259-F441 HydrophobicContact CG1-CZ 4.1Å; I259-F441 HydrophobicContact CG2-CE1 4.22Å
260	M	95.4	Very high	93.8	Very high	100 Å²	100	48.3 Å²	48.3	49%	0.493	24%	0.241	S	C	.	.	H	α-helix	trans	-61.5	-39.3	177.5	-71.2	-61.8	-68.2	0	0	112.1	I256 P257 C258 I263 L264	I256-M260 HydrophobicContact CG2-CG 4.32Å; I256-M260 WeakPolarHBondContact O-CB 3.19Å; I256-M260 VanDerWaalsContact O-CG 3.28Å; I256-M260 WeakPolarHBondContact O-CG 3.36Å; I256-M260 PolarHBondContact O-N 3.02Å; P257-M260 PolarHBondContact O-N 3.48Å; C258-M260 VanDerWaalsContact C-N 3.34Å; C258-M260 PolarHBondContact O-N 2.78Å; M260-I263 PolarHBondContact O-N 2.58Å; M260-I263 HydrophobicContact SD-CD1 4.47Å; M260-L264 WeakPolarHBondContact O-CB 3.3Å; M260-L264 VanDerWaalsContact O-CG 3.29Å; M260-L264 WeakPolarHBondContact O-CG 3.48Å; M260-L264 PolarHBondContact O-N 2.8Å
261	T	95.8	Very high	93.6	Very high	9 Å²	9	49 Å²	49	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-40.8	177.2	-57	0	0	0	0	111.6	P257 C258 I259 L264 A265 T286 T289 M290 V321	P257-T261 WeakPolarHBondContact O-CB 3.28Å; P257-T261 PolarHBondContact O-N 3Å; P257-T261 PolarHBondContact O-OG1 2.84Å; C258-T261 PolarHBondContact O-N 3.46Å; I259-T261 VanDerWaalsContact C-N 3.31Å; I259-T261 PolarHBondContact O-N 2.81Å; T261-L264 PolarHBondContact O-N 3.14Å; T261-A265 PolarHBondContact O-N 3.45Å; T261-T286 HydrophobicContact CG2-CG2 4.49Å; T261-T289 HydrophobicContact CG2-CG2 4.19Å; T261-M290 HydrophobicContact CG2-CB 4.42Å; T261-V321 HydrophobicContact CG2-CG2 4.39Å
262	V	96.6	Very high	93.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-43	174.8	173.5	0	0	0	0	110.9	C258 I259 L264 A265 Q266 C317 F320 V321 F441	C258-V262 WeakPolarHBondContact O-CG2 3.43Å; C258-V262 PolarHBondContact O-N 3.44Å; I259-V262 PolarHBondContact O-N 3.12Å; V262-L264 VanDerWaalsContact C-N 3.35Å; V262-L264 PolarHBondContact O-N 2.98Å; V262-A265 WeakPolarHBondContact O-CB 3.38Å; V262-A265 PolarHBondContact O-N 3.44Å; V262-Q266 WeakPolarHBondContact O-CG 3.47Å; V262-Q266 PolarHBondContact O-N 2.97Å; V262-Q266 VanDerWaalsContact O-N 3.15Å; V262-C317 HydrophobicContact CG2-CB 3.74Å; V262-F320 HydrophobicContact CG1-CB 4.15Å; V262-V321 HydrophobicContact CG2-CG2 4.04Å; V262-F441 HydrophobicContact CB-CE1 4.16Å; V262-F441 HydrophobicContact CB-CE2 4.3Å; V262-F441 HydrophobicContact CB-CZ 3.97Å; V262-F441 HydrophobicContact CG1-CD1 3.93Å; V262-F441 HydrophobicContact CG1-CD2 3.95Å; V262-F441 HydrophobicContact CG1-CE1 3.92Å; V262-F441 HydrophobicContact CG1-CE2 3.95Å; V262-F441 HydrophobicContact CG1-CG 3.93Å; V262-F441 HydrophobicContact CG1-CZ 3.93Å; V262-F441 HydrophobicContact CG2-CE2 4.08Å; V262-F441 HydrophobicContact CG2-CZ 4.04Å
263	I	95.2	Very high	92.7	Very high	76 Å²	76	47.5 Å²	47.5	39%	0.39	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-44.6	175.4	-67.1	167.2	0	0	0	110.5	I259 M260 A265 Q266 V267	I259-I263 HydrophobicContact CG2-CD1 3.84Å; I259-I263 WeakPolarHBondContact O-CG1 3.26Å; I259-I263 PolarHBondContact O-N 2.73Å; M260-I263 PolarHBondContact O-N 2.58Å; M260-I263 HydrophobicContact SD-CD1 4.47Å; I263-A265 VanDerWaalsContact C-N 3.3Å; I263-A265 PolarHBondContact O-N 3.09Å; I263-Q266 WeakPolarHBondContact O-CB 3.5Å; I263-Q266 PolarHBondContact O-N 3.3Å; I263-V267 PolarHBondContact O-N 3.21Å; I263-V267 VanDerWaalsContact O-N 3.13Å
264	L	93.4	Very high	92.3	Very high	84 Å²	84	50.3 Å²	50.3	44%	0.44	25%	0.25	S	S	.	.	H	α-helix	trans	-60	-38.7	176.3	-75.3	173.5	0	0	0	112.4	M260 T261 V262 Q266 V267 T286	M260-L264 WeakPolarHBondContact O-CB 3.3Å; M260-L264 VanDerWaalsContact O-CG 3.29Å; M260-L264 WeakPolarHBondContact O-CG 3.48Å; M260-L264 PolarHBondContact O-N 2.8Å; T261-L264 PolarHBondContact O-N 3.14Å; V262-L264 VanDerWaalsContact C-N 3.35Å; V262-L264 PolarHBondContact O-N 2.98Å; L264-Q266 VanDerWaalsContact C-N 3.29Å; L264-Q266 PolarHBondContact O-N 2.94Å; L264-V267 WeakPolarHBondContact O-CB 3.49Å; L264-V267 PolarHBondContact O-N 3.11Å; L264-T286 HydrophobicContact CB-CG2 4.22Å
265	A	94.3	Very high	92	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-36.3	174.1	0	0	0	0	0	112	T261 V262 I263 V267 S268 T286 V321 A324	T261-A265 PolarHBondContact O-N 3.45Å; V262-A265 WeakPolarHBondContact O-CB 3.38Å; V262-A265 PolarHBondContact O-N 3.44Å; I263-A265 VanDerWaalsContact C-N 3.3Å; I263-A265 PolarHBondContact O-N 3.09Å; A265-V267 VanDerWaalsContact C-N 3.35Å; A265-V267 PolarHBondContact O-N 3.19Å; A265-S268 VanDerWaalsContact O-CB 3.32Å; A265-S268 WeakPolarHBondContact O-CB 3.33Å; A265-S268 PolarHBondContact O-N 2.71Å; A265-S268 PolarHBondContact O-OG 2.91Å; A265-T286 HydrophobicContact CB-CG2 4.17Å; A265-V321 HydrophobicContact CB-CB 4.46Å; A265-V321 HydrophobicContact CB-CG1 4.31Å; A265-V321 HydrophobicContact CB-CG2 4.11Å; A265-A324 HydrophobicContact CB-CB 4.22Å
266	Q	92.4	Very high	91.7	Very high	24 Å²	24	54.4 Å²	54.4	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-72.3	-24.5	178.1	-63.7	171.6	18.8	0	0	113.5	V262 I263 L264 S268 F269 F437	V262-Q266 WeakPolarHBondContact O-CG 3.47Å; V262-Q266 PolarHBondContact O-N 2.97Å; V262-Q266 VanDerWaalsContact O-N 3.15Å; I263-Q266 WeakPolarHBondContact O-CB 3.5Å; I263-Q266 PolarHBondContact O-N 3.3Å; L264-Q266 VanDerWaalsContact C-N 3.29Å; L264-Q266 PolarHBondContact O-N 2.94Å; Q266-S268 PolarHBondContact O-N 2.96Å; Q266-F269 HydrophobicContact CB-CD2 4.17Å; Q266-F269 HydrophobicContact CB-CE2 4.07Å; Q266-F269 HydrophobicContact CG-CE2 4.03Å; Q266-F269 WeakPolarHBondContact O-CB 3.47Å; Q266-F269 VanDerWaalsContact O-CD2 3.24Å; Q266-F269 WeakPolarHBondContact O-CD2 3.41Å; Q266-F269 WeakPolarHBondContact O-CG 3.31Å; Q266-F269 PolarHBondContact O-N 2.7Å; Q266-F437 HydrophobicContact CG-CB 4.32Å
267	V	91.7	Very high	91.6	Very high	64 Å²	64	54.5 Å²	54.5	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-28.2	173.2	175.4	0	0	0	0	111	I263 L264 A265 F269 W270	I263-V267 PolarHBondContact O-N 3.21Å; I263-V267 VanDerWaalsContact O-N 3.13Å; L264-V267 WeakPolarHBondContact O-CB 3.49Å; L264-V267 PolarHBondContact O-N 3.11Å; A265-V267 VanDerWaalsContact C-N 3.35Å; A265-V267 PolarHBondContact O-N 3.19Å; V267-F269 PolarHBondContact O-N 3.44Å; V267-F269 VanDerWaalsContact O-N 3.14Å; V267-W270 WeakPolarHBondContact O-CB 3.36Å; V267-W270 PolarHBondContact O-N 3.24Å
268	S	89.9	Confident	91.3	Very high	5 Å²	5	54.6 Å²	54.6	4%	0.035	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59.2	-26.1	178.1	74.7	0	0	0	0	114	A265 Q266 W270 I271 R279	A265-S268 VanDerWaalsContact O-CB 3.32Å; A265-S268 WeakPolarHBondContact O-CB 3.33Å; A265-S268 PolarHBondContact O-N 2.71Å; A265-S268 PolarHBondContact O-OG 2.91Å; Q266-S268 PolarHBondContact O-N 2.96Å; S268-W270 PolarHBondContact O-N 3.13Å; S268-I271 PolarHBondContact O-N 3.3Å; S268-R279 PolarHBondContact O-NE 3.13Å
269	F	90.8	Very high	91.1	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-70.6	-17.9	177.7	-52.5	-38.1	0	0	0	113.3	Q266 V267 A324 E327 R434 F437	Q266-F269 HydrophobicContact CB-CD2 4.17Å; Q266-F269 HydrophobicContact CB-CE2 4.07Å; Q266-F269 HydrophobicContact CG-CE2 4.03Å; Q266-F269 WeakPolarHBondContact O-CB 3.47Å; Q266-F269 VanDerWaalsContact O-CD2 3.24Å; Q266-F269 WeakPolarHBondContact O-CD2 3.41Å; Q266-F269 WeakPolarHBondContact O-CG 3.31Å; Q266-F269 PolarHBondContact O-N 2.7Å; V267-F269 PolarHBondContact O-N 3.44Å; V267-F269 VanDerWaalsContact O-N 3.14Å; F269-A324 HydrophobicContact CE1-CB 4.01Å; F269-A324 HydrophobicContact CZ-CB 3.78Å; F269-E327 HydrophobicContact CD1-CG 4.5Å; F269-E327 WeakPolarHBondContact CD1-OE2 3.49Å; F269-E327 HydrophobicContact CE1-CB 4.15Å; F269-E327 HydrophobicContact CE1-CG 3.95Å; F269-E327 WeakPolarHBondContact CE1-OE2 3.31Å; F269-R434 HydrophobicContact CB-CG 3.86Å; F269-R434 VanDerWaalsContact O-CZ 3.32Å; F269-R434 PolarHBondContact O-NE 3.08Å; F269-R434 PolarHBondContact O-NH2 3.02Å; F269-F437 HydrophobicContact CE2-CB 3.81Å; F269-F437 AromaticContact CE2-CD1 3.97Å; F269-F437 HydrophobicContact CE2-CD1 3.97Å; F269-F437 AromaticContact CE2-CD2 3.99Å; F269-F437 HydrophobicContact CE2-CD2 3.99Å; F269-F437 AromaticContact CE2-CG 3.67Å; F269-F437 HydrophobicContact CE2-CG 3.67Å; F269-F437 HydrophobicContact CZ-CB 4.48Å; F269-F437 AromaticContact CZ-CD1 3.82Å; F269-F437 HydrophobicContact CZ-CD1 3.82Å; F269-F437 AromaticContact CZ-CD2 4Å; F269-F437 HydrophobicContact CZ-CD2 4Å; F269-F437 AromaticContact CZ-CE1 3.92Å; F269-F437 HydrophobicContact CZ-CE1 3.92Å; F269-F437 HydrophobicContact CZ-CE2 4.09Å; F269-F437 AromaticContact CZ-CG 3.86Å; F269-F437 HydrophobicContact CZ-CG 3.86Å; F269-F437 HydrophobicContact CZ-CZ 4.05Å
270	W	89.8	Confident	90.9	Very high	171 Å²	171	54.7 Å²	54.7	65%	0.648	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-90.8	-15.7	177.7	-66.4	89.4	0	0	0	112.6	V267 S268 R434	V267-W270 WeakPolarHBondContact O-CB 3.36Å; V267-W270 PolarHBondContact O-N 3.24Å; S268-W270 PolarHBondContact O-N 3.13Å; W270-R434 HydrophobicContact CZ2-CG 4.27Å
271	I	89.1	Confident	90.8	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.179	29%	0.293	C	S	.	.	S	Bend	trans	-74.4	139.1	178.3	-60.2	177.7	0	0	0	109.5	S268 K273 A278 R279 F282	S268-I271 PolarHBondContact O-N 3.3Å; I271-K273 PolarHBondContact O-N 3.14Å; I271-A278 HydrophobicContact CG2-CB 4.27Å; I271-R279 HydrophobicContact CB-CG 3.95Å; I271-R279 HydrophobicContact CG2-CG 3.83Å; I271-F282 HydrophobicContact CD1-CD2 3.66Å; I271-F282 HydrophobicContact CD1-CE2 3.82Å; I271-F282 HydrophobicContact CD1-CG 4.42Å
272	N	86.7	Confident	90.5	Very high	119 Å²	119	57.8 Å²	57.8	64%	0.636	31%	0.308	S	S	*	.			trans	-53.7	131.1	176.8	-70.5	-26.8	0	0	0	111	E274 S275	N272-E274 PolarHBondContact O-N 3.45Å; N272-E274 VanDerWaalsContact O-N 3.08Å; N272-S275 PolarHBondContact O-N 3.4Å
273	K	81.8	Confident	90.3	Very high	35 Å²	35	58.1 Å²	58.1	15%	0.152	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.4	178.7	67.4	-174.9	-179.5	-169.4	0	113.7	I271 S275 V331 L423 G425	I271-K273 PolarHBondContact O-N 3.14Å; K273-S275 VanDerWaalsContact C-N 3.32Å; K273-V331 HydrophobicContact CB-CG1 4.23Å; K273-L423 WeakPolarHBondContact CE-O 3.38Å; K273-L423 PolarHBondContact NZ-O 3.49Å; K273-G425 PolarHBondContact NZ-O 3.03Å
274	E	81.5	Confident	90.2	Very high	146 Å²	146	59.1 Å²	59.1	68%	0.682	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.8	178.2	-60.5	-179.1	177.2	0	0	112.3	N272 V276	N272-E274 PolarHBondContact O-N 3.45Å; N272-E274 VanDerWaalsContact O-N 3.08Å; E274-V276 PolarHBondContact O-N 3.21Å
275	S	88.4	Confident	90.3	Very high	50 Å²	50	58.5 Å²	58.5	35%	0.35	32%	0.316	S	S	.	.			trans	-86.2	57.6	179	-53.9	0	0	0	0	111.6	N272 K273 P277 A278 R279	N272-S275 PolarHBondContact O-N 3.4Å; K273-S275 VanDerWaalsContact C-N 3.32Å; S275-P277 VanDerWaalsContact C-CD 3.41Å; S275-P277 VanDerWaalsContact C-N 3.32Å; S275-A278 WeakPolarHBondContact O-CB 3.48Å; S275-A278 PolarHBondContact O-N 3.48Å; S275-R279 PolarHBondContact O-N 3.46Å
276	V	88.9	Confident	90.3	Very high	44 Å²	44	58.7 Å²	58.7	27%	0.267	32%	0.316	S	S	.	.	H	α-helix	trans	-50.4	-42.5	179.4	-179.6	0	0	0	0	113.1	E274 A278 R279 T280 F328	E274-V276 PolarHBondContact O-N 3.21Å; V276-A278 VanDerWaalsContact C-N 3.34Å; V276-A278 PolarHBondContact O-N 3.05Å; V276-R279 PolarHBondContact O-N 3.05Å; V276-T280 WeakPolarHBondContact O-CB 3.39Å; V276-T280 PolarHBondContact O-N 3.37Å; V276-T280 PolarHBondContact O-OG1 3.5Å; V276-F328 HydrophobicContact CG1-CE2 4.34Å; V276-F328 HydrophobicContact CG1-CZ 3.88Å
277	P	92.1	Very high	90.5	Very high	95 Å²	95	58.8 Å²	58.8	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-39.9	178.4	-23.9	35.5	0	0	0	112.9	S275 V281	S275-P277 VanDerWaalsContact C-CD 3.41Å; S275-P277 VanDerWaalsContact C-N 3.32Å; P277-V281 VanDerWaalsContact O-CG2 3.31Å; P277-V281 WeakPolarHBondContact O-CG2 3.33Å; P277-V281 PolarHBondContact O-N 3.29Å; P277-V281 VanDerWaalsContact O-N 3.09Å
278	A	90.7	Very high	90.6	Very high	39 Å²	39	60.9 Å²	60.9	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-50.6	179.6	0	0	0	0	0	110.9	I271 S275 V276 T280 V281 F282	I271-A278 HydrophobicContact CG2-CB 4.27Å; S275-A278 WeakPolarHBondContact O-CB 3.48Å; S275-A278 PolarHBondContact O-N 3.48Å; V276-A278 VanDerWaalsContact C-N 3.34Å; V276-A278 PolarHBondContact O-N 3.05Å; A278-T280 VanDerWaalsContact C-N 3.34Å; A278-T280 PolarHBondContact O-N 2.97Å; A278-V281 PolarHBondContact O-N 3.01Å; A278-F282 VanDerWaalsContact O-CD2 3.29Å; A278-F282 WeakPolarHBondContact O-CD2 3.24Å; A278-F282 PolarHBondContact O-N 3.4Å
279	R	91.7	Very high	90.9	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-39.2	-180	-67.3	-175.7	76.4	165.5	-1.1	112.3	S268 I271 S275 V276 F282 G283 E327 F328 D430	S268-R279 PolarHBondContact O-NE 3.13Å; I271-R279 HydrophobicContact CB-CG 3.95Å; I271-R279 HydrophobicContact CG2-CG 3.83Å; S275-R279 PolarHBondContact O-N 3.46Å; V276-R279 PolarHBondContact O-N 3.05Å; R279-F282 PolarHBondContact O-N 2.95Å; R279-G283 PolarHBondContact O-N 3.37Å; R279-E327 IonicContact NH2-OE2 3.91Å; R279-E327 PolarHBondContact NH2-OE2 3.15Å; R279-F328 HydrophobicContact CB-CD2 3.48Å; R279-F328 VanDerWaalsContact CB-CD2 3.48Å; R279-F328 HydrophobicContact CB-CE2 3.47Å; R279-F328 VanDerWaalsContact CB-CE2 3.47Å; R279-F328 HydrophobicContact CB-CG 4.13Å; R279-F328 HydrophobicContact CB-CZ 4.1Å; R279-F328 HydrophobicContact CG-CD2 4.27Å; R279-F328 HydrophobicContact CG-CE2 4.39Å; R279-D430 IonicContact CZ-OD1 2.75Å; R279-D430 IonicContact NH1-OD1 2.93Å; R279-D430 PolarHBondContact NH1-OD1 2.77Å; R279-D430 IonicContact NH1-OD2 2.77Å; R279-D430 PolarHBondContact NH1-OD2 3.35Å; R279-D430 IonicContact NH2-OD1 3.39Å; R279-D430 PolarHBondContact NH2-OD1 2.93Å
280	T	91.8	Very high	91.1	Very high	45 Å²	45	63.2 Å²	63.2	28%	0.276	34%	0.341	S	S	.	.	H	α-helix	trans	-60.2	-48.3	175.9	-54.2	0	0	0	0	111.8	V276 A278 G283 I284 F328	V276-T280 WeakPolarHBondContact O-CB 3.39Å; V276-T280 PolarHBondContact O-N 3.37Å; V276-T280 PolarHBondContact O-OG1 3.5Å; A278-T280 VanDerWaalsContact C-N 3.34Å; A278-T280 PolarHBondContact O-N 2.97Å; T280-G283 PolarHBondContact O-N 3.48Å; T280-I284 HydrophobicContact CG2-CD1 3.71Å; T280-I284 HydrophobicContact CG2-CG1 4.43Å; T280-I284 WeakPolarHBondContact O-CG1 3.28Å; T280-I284 PolarHBondContact O-N 3.31Å; T280-F328 WeakPolarHBondContact OG1-CE1 3.49Å; T280-F328 VanDerWaalsContact OG1-CZ 3.23Å; T280-F328 WeakPolarHBondContact OG1-CZ 3.3Å
281	V	93.2	Very high	91.3	Very high	90 Å²	90	57.6 Å²	57.6	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-47.2	-179.8	172.6	0	0	0	0	110.7	P277 A278 G283 I284 T285	P277-V281 VanDerWaalsContact O-CG2 3.31Å; P277-V281 WeakPolarHBondContact O-CG2 3.33Å; P277-V281 PolarHBondContact O-N 3.29Å; P277-V281 VanDerWaalsContact O-N 3.09Å; A278-V281 PolarHBondContact O-N 3.01Å; V281-G283 VanDerWaalsContact C-N 3.33Å; V281-G283 PolarHBondContact O-N 3.01Å; V281-I284 PolarHBondContact O-N 2.92Å; V281-T285 VanDerWaalsContact O-CB 3.29Å; V281-T285 WeakPolarHBondContact O-CB 3.39Å; V281-T285 PolarHBondContact O-N 3.45Å; V281-T285 PolarHBondContact O-OG1 3.36Å
282	F	89.9	Confident	91.5	Very high	84 Å²	84	59.9 Å²	59.9	37%	0.368	34%	0.342	S	S	.	.	H	α-helix	trans	-57.5	-43.9	176.1	-88.3	-77.9	0	0	0	112.6	I271 A278 R279 T286	I271-F282 HydrophobicContact CD1-CD2 3.66Å; I271-F282 HydrophobicContact CD1-CE2 3.82Å; I271-F282 HydrophobicContact CD1-CG 4.42Å; A278-F282 VanDerWaalsContact O-CD2 3.29Å; A278-F282 WeakPolarHBondContact O-CD2 3.24Å; A278-F282 PolarHBondContact O-N 3.4Å; R279-F282 PolarHBondContact O-N 2.95Å; F282-T286 WeakPolarHBondContact O-CB 3.43Å; F282-T286 VanDerWaalsContact O-CG2 3.25Å; F282-T286 WeakPolarHBondContact O-CG2 3.48Å; F282-T286 PolarHBondContact O-N 2.88Å; F282-T286 PolarHBondContact O-OG1 3.48Å
283	G	91.9	Very high	91.8	Very high	7 Å²	7	56.1 Å²	56.1	7%	0.072	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-46	178.8	0	0	0	0	0	113.2	R279 T280 V281 T286 V287	R279-G283 PolarHBondContact O-N 3.37Å; T280-G283 PolarHBondContact O-N 3.48Å; V281-G283 VanDerWaalsContact C-N 3.33Å; V281-G283 PolarHBondContact O-N 3.01Å; G283-T286 PolarHBondContact O-OG1 2.84Å; G283-V287 WeakPolarHBondContact O-CG2 3.4Å; G283-V287 PolarHBondContact O-N 2.93Å
284	I	93.8	Very high	92.3	Very high	98 Å²	98	55.4 Å²	55.4	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-45.4	179.2	-66.3	172.1	0	0	0	110.9	T280 V281 T286 V287 L288	T280-I284 HydrophobicContact CG2-CD1 3.71Å; T280-I284 HydrophobicContact CG2-CG1 4.43Å; T280-I284 WeakPolarHBondContact O-CG1 3.28Å; T280-I284 PolarHBondContact O-N 3.31Å; V281-I284 PolarHBondContact O-N 2.92Å; I284-T286 VanDerWaalsContact C-N 3.34Å; I284-T286 PolarHBondContact O-N 3.09Å; I284-V287 PolarHBondContact O-N 2.96Å; I284-L288 WeakPolarHBondContact O-CB 3.23Å; I284-L288 PolarHBondContact O-N 2.7Å
285	T	95.2	Very high	92.8	Very high	70 Å²	70	52.9 Å²	52.9	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-42.6	-179.5	-60.7	0	0	0	0	111.1	V281 L288 T289	V281-T285 VanDerWaalsContact O-CB 3.29Å; V281-T285 WeakPolarHBondContact O-CB 3.39Å; V281-T285 PolarHBondContact O-N 3.45Å; V281-T285 PolarHBondContact O-OG1 3.36Å; T285-L288 PolarHBondContact O-N 2.89Å; T285-T289 WeakPolarHBondContact O-CB 3.29Å; T285-T289 PolarHBondContact O-N 2.95Å; T285-T289 PolarHBondContact O-OG1 3.05Å
286	T	95.1	Very high	92.9	Very high	8 Å²	8	53.2 Å²	53.2	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-39.8	178.9	49.2	0	0	0	0	112.8	T261 L264 A265 F282 G283 I284 T289 M290 V321	T261-T286 HydrophobicContact CG2-CG2 4.49Å; L264-T286 HydrophobicContact CB-CG2 4.22Å; A265-T286 HydrophobicContact CB-CG2 4.17Å; F282-T286 WeakPolarHBondContact O-CB 3.43Å; F282-T286 VanDerWaalsContact O-CG2 3.25Å; F282-T286 WeakPolarHBondContact O-CG2 3.48Å; F282-T286 PolarHBondContact O-N 2.88Å; F282-T286 PolarHBondContact O-OG1 3.48Å; G283-T286 PolarHBondContact O-OG1 2.84Å; I284-T286 VanDerWaalsContact C-N 3.34Å; I284-T286 PolarHBondContact O-N 3.09Å; T286-T289 PolarHBondContact O-N 3.42Å; T286-M290 WeakPolarHBondContact O-CB 3.49Å; T286-M290 PolarHBondContact O-N 3.04Å; T286-V321 WeakPolarHBondContact OG1-CG1 3.39Å
287	V	95.4	Very high	92.8	Very high	26 Å²	26	51.6 Å²	51.6	16%	0.158	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-44	173.9	173.4	0	0	0	0	111.1	G283 I284 M290 T291 F318 V321 L325	G283-V287 WeakPolarHBondContact O-CG2 3.4Å; G283-V287 PolarHBondContact O-N 2.93Å; I284-V287 PolarHBondContact O-N 2.96Å; V287-M290 PolarHBondContact O-N 2.69Å; V287-T291 PolarHBondContact O-N 3.3Å; V287-T291 PolarHBondContact O-OG1 3.33Å; V287-F318 HydrophobicContact CG1-CE2 4.19Å; V287-F318 HydrophobicContact CG1-CZ 4.27Å; V287-V321 HydrophobicContact CB-CG1 4.44Å; V287-V321 HydrophobicContact CG2-CG1 3.71Å; V287-L325 HydrophobicContact CG2-CD2 4.34Å
288	L	95.6	Very high	92.5	Very high	109 Å²	109	53.8 Å²	53.8	57%	0.571	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-47.1	177.5	179.9	62.6	0	0	0	111.1	I284 T285 M290 T291 T292	I284-L288 WeakPolarHBondContact O-CB 3.23Å; I284-L288 PolarHBondContact O-N 2.7Å; T285-L288 PolarHBondContact O-N 2.89Å; L288-M290 VanDerWaalsContact C-N 3.31Å; L288-M290 PolarHBondContact O-N 2.97Å; L288-T291 WeakPolarHBondContact O-CB 3.28Å; L288-T291 PolarHBondContact O-N 3.14Å; L288-T292 PolarHBondContact O-N 2.97Å; L288-T292 PolarHBondContact O-OG1 3.39Å; L288-T292 VanDerWaalsContact O-OG1 3.07Å
289	T	95.6	Very high	92.3	Very high	54 Å²	54	59.1 Å²	59.1	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-57.8	-44.8	176	-62.1	0	0	0	0	111.1	T261 T285 T286 T291 T292 L293	T261-T289 HydrophobicContact CG2-CG2 4.19Å; T285-T289 WeakPolarHBondContact O-CB 3.29Å; T285-T289 PolarHBondContact O-N 2.95Å; T285-T289 PolarHBondContact O-OG1 3.05Å; T286-T289 PolarHBondContact O-N 3.42Å; T289-T291 VanDerWaalsContact C-N 3.34Å; T289-T291 PolarHBondContact O-N 3.36Å; T289-T292 PolarHBondContact O-N 3.46Å; T289-L293 HydrophobicContact CG2-CD1 4.17Å; T289-L293 HydrophobicContact CG2-CG 4.46Å; T289-L293 WeakPolarHBondContact O-CG 3.39Å; T289-L293 PolarHBondContact O-N 3.36Å
290	M	94.1	Very high	91.6	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-38.2	178.6	-166.5	64	-165.5	0	0	112.4	C258 T261 T286 V287 L288 L293 S294 I314 C317 F318	C258-M290 HydrophobicContact CB-CE 4.46Å; T261-M290 HydrophobicContact CG2-CB 4.42Å; T286-M290 WeakPolarHBondContact O-CB 3.49Å; T286-M290 PolarHBondContact O-N 3.04Å; V287-M290 PolarHBondContact O-N 2.69Å; L288-M290 VanDerWaalsContact C-N 3.31Å; L288-M290 PolarHBondContact O-N 2.97Å; M290-L293 PolarHBondContact O-N 2.92Å; M290-S294 WeakPolarHBondContact O-CB 3.41Å; M290-S294 PolarHBondContact O-N 3.5Å; M290-I314 HydrophobicContact CE-CB 4.17Å; M290-I314 HydrophobicContact CE-CG2 3.69Å; M290-I314 WeakPolarHBondContact CE-O 3.41Å; M290-C317 HydrophobicContact CE-CB 3.32Å; M290-C317 HydrophobicContact SD-CB 4.16Å; M290-F318 HydrophobicContact CB-CD2 4.11Å; M290-F318 HydrophobicContact CE-CB 4.36Å; M290-F318 HydrophobicContact CG-CB 4.03Å; M290-F318 HydrophobicContact CG-CD2 3.72Å; M290-F318 HydrophobicContact CG-CG 4.35Å
291	T	94.6	Very high	91.3	Very high	54 Å²	54	60.9 Å²	60.9	33%	0.331	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-45.5	174.5	-54.1	0	0	0	0	111	V287 L288 T289 S294 I295	V287-T291 PolarHBondContact O-N 3.3Å; V287-T291 PolarHBondContact O-OG1 3.33Å; L288-T291 WeakPolarHBondContact O-CB 3.28Å; L288-T291 PolarHBondContact O-N 3.14Å; T289-T291 VanDerWaalsContact C-N 3.34Å; T289-T291 PolarHBondContact O-N 3.36Å; T291-S294 PolarHBondContact O-N 2.82Å; T291-I295 HydrophobicContact CG2-CD1 4.16Å; T291-I295 WeakPolarHBondContact O-CG1 3.48Å; T291-I295 PolarHBondContact O-N 3.42Å
292	T	94.4	Very high	91.1	Very high	83 Å²	83	57.4 Å²	57.4	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-44.2	177.2	-57.1	0	0	0	0	112	L288 T289 S294 I295 S296	L288-T292 PolarHBondContact O-N 2.97Å; L288-T292 PolarHBondContact O-OG1 3.39Å; L288-T292 VanDerWaalsContact O-OG1 3.07Å; T289-T292 PolarHBondContact O-N 3.46Å; T292-S294 VanDerWaalsContact C-N 3.35Å; T292-S294 PolarHBondContact O-N 2.84Å; T292-I295 PolarHBondContact O-N 2.93Å; T292-S296 WeakPolarHBondContact O-CB 3.41Å; T292-S296 PolarHBondContact O-N 3.28Å
293	L	92.6	Very high	91.1	Very high	39 Å²	39	63.8 Å²	63.8	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-41.7	176	-72.5	174.5	0	0	0	111.8	P257 T289 M290 S296 A297	P257-L293 HydrophobicContact CB-CD1 3.95Å; P257-L293 HydrophobicContact CB-CD2 4.06Å; T289-L293 HydrophobicContact CG2-CD1 4.17Å; T289-L293 HydrophobicContact CG2-CG 4.46Å; T289-L293 WeakPolarHBondContact O-CG 3.39Å; T289-L293 PolarHBondContact O-N 3.36Å; M290-L293 PolarHBondContact O-N 2.92Å; L293-S296 PolarHBondContact O-N 3.31Å; L293-A297 WeakPolarHBondContact O-CB 3.23Å; L293-A297 PolarHBondContact O-N 3.09Å
294	S	91.4	Very high	91	Very high	20 Å²	20	65.6 Å²	65.6	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-42.9	176.9	178.5	0	0	0	0	112.7	M290 T291 T292 R298	M290-S294 WeakPolarHBondContact O-CB 3.41Å; M290-S294 PolarHBondContact O-N 3.5Å; T291-S294 PolarHBondContact O-N 2.82Å; T292-S294 VanDerWaalsContact C-N 3.35Å; T292-S294 PolarHBondContact O-N 2.84Å; S294-R298 PolarHBondContact O-N 3.23Å
295	I	91.6	Very high	90.8	Very high	93 Å²	93	67.1 Å²	67.1	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-47.4	177.3	-67.2	166.5	0	0	0	109.9	T291 T292 A297 R298 H299	T291-I295 HydrophobicContact CG2-CD1 4.16Å; T291-I295 WeakPolarHBondContact O-CG1 3.48Å; T291-I295 PolarHBondContact O-N 3.42Å; T292-I295 PolarHBondContact O-N 2.93Å; I295-A297 VanDerWaalsContact C-N 3.31Å; I295-A297 PolarHBondContact O-N 3.16Å; I295-R298 PolarHBondContact O-N 3.3Å; I295-R298 VanDerWaalsContact O-N 3.16Å; I295-H299 WeakPolarHBondContact CG2-NE2 3.4Å; I295-H299 PolarHBondContact O-CD2 2.94Å; I295-H299 PolarHBondContact O-N 3.16Å
296	S	90.4	Very high	90.7	Very high	58 Å²	58	66.8 Å²	66.8	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-57.4	-42.1	178.5	-172.8	0	0	0	0	112.5	T292 L293 R298 H299	T292-S296 WeakPolarHBondContact O-CB 3.41Å; T292-S296 PolarHBondContact O-N 3.28Å; L293-S296 PolarHBondContact O-N 3.31Å; S296-R298 VanDerWaalsContact C-N 3.3Å; S296-R298 PolarHBondContact O-N 2.92Å; S296-H299 PolarHBondContact O-N 3.4Å
297	A	88.5	Confident	90.5	Very high	10 Å²	10	68.8 Å²	68.8	8%	0.083	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-31	-179.9	0	0	0	0	0	113	T254 L293 I295 M310 I314	T254-A297 HydrophobicContact CG2-CB 4.1Å; L293-A297 WeakPolarHBondContact O-CB 3.23Å; L293-A297 PolarHBondContact O-N 3.09Å; I295-A297 VanDerWaalsContact C-N 3.31Å; I295-A297 PolarHBondContact O-N 3.16Å; A297-M310 HydrophobicContact CB-CE 3.85Å; A297-M310 HydrophobicContact CB-SD 4.21Å; A297-I314 HydrophobicContact CB-CD1 3.81Å
298	R	85.8	Confident	90.4	Very high	141 Å²	141	67.6 Å²	67.6	53%	0.532	37%	0.368	S	S	.	.	H	α-helix	trans	-81.3	-19.1	179.8	-73	-176.8	178.4	162.4	2.7	114.3	S294 I295 S296 S300 L301 D311	S294-R298 PolarHBondContact O-N 3.23Å; I295-R298 PolarHBondContact O-N 3.3Å; I295-R298 VanDerWaalsContact O-N 3.16Å; S296-R298 VanDerWaalsContact C-N 3.3Å; S296-R298 PolarHBondContact O-N 2.92Å; R298-S300 PolarHBondContact O-N 3.16Å; R298-L301 PolarHBondContact O-N 3.34Å; R298-D311 IonicContact CZ-OD1 3.85Å; R298-D311 IonicContact NE-OD1 3Å; R298-D311 PolarHBondContact NE-OD1 2.91Å; R298-D311 IonicContact NH2-OD1 2.86Å; R298-D311 PolarHBondContact NH2-OD1 3.29Å
299	H	85.6	Confident	90.3	Very high	150 Å²	150	62.4 Å²	62.4	69%	0.694	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.1	178.2	-83.4	-68.3	0	0	0	113.3	I295 S296	I295-H299 WeakPolarHBondContact CG2-NE2 3.4Å; I295-H299 PolarHBondContact O-CD2 2.94Å; I295-H299 PolarHBondContact O-N 3.16Å; S296-H299 PolarHBondContact O-N 3.4Å
300	S	77.7	Confident	90.2	Very high	63 Å²	63	59.9 Å²	59.9	44%	0.441	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.1	-179.9	-57.2	0	0	0	0	113.9	R298	R298-S300 PolarHBondContact O-N 3.16Å
301	L	85.1	Confident	90.2	Very high	21 Å²	21	60.9 Å²	60.9	11%	0.11	33%	0.331	C	S	.	.	S	Bend	trans	-113.1	146	-174.9	-78.6	169.2	0	0	0	111.7	L167 F170 R298 M310	L167-L301 HydrophobicContact CD1-CD2 4.2Å; F170-L301 HydrophobicContact CD1-CD1 3.89Å; F170-L301 HydrophobicContact CD1-CD2 3.9Å; F170-L301 HydrophobicContact CD1-CG 4.39Å; F170-L301 HydrophobicContact CD2-CD2 3.7Å; F170-L301 HydrophobicContact CE1-CD1 3.68Å; F170-L301 HydrophobicContact CE1-CD2 3.68Å; F170-L301 HydrophobicContact CE1-CG 3.93Å; F170-L301 HydrophobicContact CE2-CD2 3.45Å; F170-L301 VanDerWaalsContact CE2-CD2 3.45Å; F170-L301 HydrophobicContact CE2-CG 4.43Å; F170-L301 HydrophobicContact CG-CD2 3.9Å; F170-L301 HydrophobicContact CZ-CD1 4.21Å; F170-L301 HydrophobicContact CZ-CD2 3.42Å; F170-L301 VanDerWaalsContact CZ-CD2 3.42Å; F170-L301 HydrophobicContact CZ-CG 3.93Å; R298-L301 PolarHBondContact O-N 3.34Å; L301-M310 HydrophobicContact CD1-CE 3.49Å; L301-M310 VanDerWaalsContact CD1-CE 3.49Å
302	P	89.9	Confident	90.2	Very high	17 Å²	17	65.6 Å²	65.6	11%	0.11	34%	0.343	C	S	.	.			trans	-60.2	154.2	165.9	27.3	-35.2	0	0	0	110.9	D79 M82 L167 V304	D79-P302 VanDerWaalsContact O-CG 3.31Å; D79-P302 WeakPolarHBondContact O-CG 3.33Å; M82-P302 HydrophobicContact CE-CG 4.49Å; L167-P302 HydrophobicContact CD1-CG 3.37Å; P302-V304 HydrophobicContact CG-CG1 4.33Å; P302-V304 PolarHBondContact O-N 3.39Å
303	K	88.3	Confident	90.3	Very high	218 Å²	218	61.6 Å²	61.6	95%	0.948	32%	0.318	S	S	*	.			trans	-71.5	103.1	173.8	-63.8	179.1	-176.7	176.1	0	109.3
304	V	89.9	Confident	90.4	Very high	45 Å²	45	60 Å²	60	27%	0.273	31%	0.31	S	S	.	.			trans	-108.2	150.7	173.9	-66.3	0	0	0	0	110.7	L167 P302 Y306 T308	L167-V304 HydrophobicContact CD1-CG1 4.31Å; P302-V304 HydrophobicContact CG-CG1 4.33Å; P302-V304 PolarHBondContact O-N 3.39Å; V304-Y306 HydrophobicContact CB-CD1 4.42Å; V304-Y306 HydrophobicContact CB-CE1 4.08Å; V304-Y306 HydrophobicContact CB-CE2 4.2Å; V304-Y306 HydrophobicContact CG1-CE1 4.33Å; V304-Y306 HydrophobicContact CG2-CD2 4.35Å; V304-Y306 HydrophobicContact CG2-CE2 4.13Å; V304-T308 HydrophobicContact CG2-CG2 4.47Å
305	S	90.7	Very high	90.6	Very high	130 Å²	130	61.5 Å²	61.5	91%	0.909	32%	0.323	S	S	*	.	S	Bend	trans	-82.7	-17	-178.8	56	0	0	0	0	114
306	Y	92.4	Very high	90.9	Very high	64 Å²	64	58.9 Å²	58.9	25%	0.251	31%	0.312	S	S	.	.	S	Bend	trans	-101.8	154.8	-179.7	52.7	-97.6	0	0	0	111.5	L167 M168 V304	L167-Y306 HydrophobicContact CB-CE2 4.26Å; L167-Y306 PolarHBondContact N-OH 3.32Å; M168-Y306 HydrophobicContact CB-CE2 4.48Å; M168-Y306 HydrophobicContact CE-CD1 4.26Å; M168-Y306 HydrophobicContact CE-CD2 4.29Å; M168-Y306 HydrophobicContact CE-CG 4Å; M168-Y306 HydrophobicContact CG-CD2 3.58Å; M168-Y306 HydrophobicContact CG-CE2 3.69Å; M168-Y306 HydrophobicContact CG-CG 4.24Å; V304-Y306 HydrophobicContact CB-CD1 4.42Å; V304-Y306 HydrophobicContact CB-CE1 4.08Å; V304-Y306 HydrophobicContact CB-CE2 4.2Å; V304-Y306 HydrophobicContact CG1-CE1 4.33Å; V304-Y306 HydrophobicContact CG2-CD2 4.35Å; V304-Y306 HydrophobicContact CG2-CE2 4.13Å
307	A	91.3	Very high	91.2	Very high	49 Å²	49	56.1 Å²	56.1	41%	0.405	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-76.9	137	176.3	0	0	0	0	0	111.5	D311	A307-D311 HydrophobicContact CB-CB 4.45Å
308	T	93.6	Very high	91.5	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-85.7	164	173.7	66.5	0	0	0	0	111.6	L167 F170 V304 M310 D311 W312	L167-T308 WeakPolarHBondContact O-CG2 3.42Å; F170-T308 HydrophobicContact CB-CG2 4.25Å; V304-T308 HydrophobicContact CG2-CG2 4.47Å; T308-M310 VanDerWaalsContact C-N 3.26Å; T308-M310 PolarHBondContact O-N 3.33Å; T308-D311 PolarHBondContact N-OD2 2.95Å; T308-D311 VanDerWaalsContact N-OD2 3.14Å; T308-D311 WeakPolarHBondContact O-CB 3.28Å; T308-D311 PolarHBondContact O-N 3.24Å; T308-D311 VanDerWaalsContact O-N 3.13Å; T308-D311 VanDerWaalsContact OG1-CG 3.28Å; T308-D311 PolarHBondContact OG1-N 3.47Å; T308-D311 PolarHBondContact OG1-OD2 3.29Å; T308-W312 VanDerWaalsContact O-CD1 3.27Å; T308-W312 PolarHBondContact O-N 3.22Å; T308-W312 VanDerWaalsContact O-N 3.13Å
309	A	93.3	Very high	92	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-41.9	172.7	0	0	0	0	0	111.7	M168 F170 M172 D311 W312 F313 Y448 Y452	M168-A309 PolarHBondContact O-N 3.09Å; F170-A309 WeakPolarHBondContact O-CB 3.44Å; M172-A309 HydrophobicContact CE-CB 4.46Å; A309-D311 PolarHBondContact O-N 3.47Å; A309-W312 PolarHBondContact O-N 3.01Å; A309-F313 PolarHBondContact O-N 2.9Å; A309-Y448 PolarHBondContact O-OH 3.44Å; A309-Y452 HydrophobicContact CB-CD1 3.77Å; A309-Y452 HydrophobicContact CB-CD2 4.34Å; A309-Y452 HydrophobicContact CB-CE1 3.32Å; A309-Y452 HydrophobicContact CB-CE2 3.96Å; A309-Y452 HydrophobicContact CB-CG 4.27Å; A309-Y452 VanDerWaalsContact CB-CZ 3.42Å
310	M	93.1	Very high	92.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-42.9	172.8	-171.2	-178.7	68.2	0	0	112.8	F170 T254 A297 L301 T308 W312 F313 I314	F170-M310 HydrophobicContact CD1-CB 4.2Å; F170-M310 HydrophobicContact CD1-CE 4.15Å; F170-M310 HydrophobicContact CD1-SD 4.29Å; F170-M310 HydrophobicContact CE1-CE 3.75Å; F170-M310 HydrophobicContact CE1-SD 3.8Å; F170-M310 PolarHBondContact O-N 3.27Å; F170-M310 VanDerWaalsContact O-N 3.12Å; T254-M310 HydrophobicContact CG2-CG 4.31Å; T254-M310 HydrophobicContact CG2-SD 4.05Å; A297-M310 HydrophobicContact CB-CE 3.85Å; A297-M310 HydrophobicContact CB-SD 4.21Å; L301-M310 HydrophobicContact CD1-CE 3.49Å; L301-M310 VanDerWaalsContact CD1-CE 3.49Å; T308-M310 VanDerWaalsContact C-N 3.26Å; T308-M310 PolarHBondContact O-N 3.33Å; M310-W312 VanDerWaalsContact C-N 3.32Å; M310-W312 PolarHBondContact O-N 3.38Å; M310-F313 WeakPolarHBondContact O-CB 3.08Å; M310-F313 PolarHBondContact O-N 2.66Å; M310-I314 HydrophobicContact CG-CD1 3.92Å; M310-I314 HydrophobicContact CG-CG1 4.46Å; M310-I314 WeakPolarHBondContact O-CG1 3.34Å; M310-I314 PolarHBondContact O-N 3.4Å
311	D	93.9	Very high	93.4	Very high	20 Å²	20	46.3 Å²	46.3	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-41.5	176.6	-75	-62.1	0	0	0	111.6	R298 A307 T308 A309 F313 I314 A315	R298-D311 IonicContact CZ-OD1 3.85Å; R298-D311 IonicContact NE-OD1 3Å; R298-D311 PolarHBondContact NE-OD1 2.91Å; R298-D311 IonicContact NH2-OD1 2.86Å; R298-D311 PolarHBondContact NH2-OD1 3.29Å; A307-D311 HydrophobicContact CB-CB 4.45Å; T308-D311 PolarHBondContact N-OD2 2.95Å; T308-D311 VanDerWaalsContact N-OD2 3.14Å; T308-D311 WeakPolarHBondContact O-CB 3.28Å; T308-D311 PolarHBondContact O-N 3.24Å; T308-D311 VanDerWaalsContact O-N 3.13Å; T308-D311 VanDerWaalsContact OG1-CG 3.28Å; T308-D311 PolarHBondContact OG1-N 3.47Å; T308-D311 PolarHBondContact OG1-OD2 3.29Å; A309-D311 PolarHBondContact O-N 3.47Å; D311-F313 VanDerWaalsContact C-N 3.35Å; D311-I314 PolarHBondContact O-N 3.48Å; D311-A315 VanDerWaalsContact O-CB 3.23Å; D311-A315 WeakPolarHBondContact O-CB 3.43Å; D311-A315 PolarHBondContact O-N 3.42Å
312	W	94.9	Very high	93.9	Very high	153 Å²	153	50 Å²	50	58%	0.58	27%	0.267	S	S	*	.	H	α-helix	trans	-62.4	-41.9	175.3	-77.4	110.5	0	0	0	112	T308 A309 M310 A315 V316	T308-W312 VanDerWaalsContact O-CD1 3.27Å; T308-W312 PolarHBondContact O-N 3.22Å; T308-W312 VanDerWaalsContact O-N 3.13Å; A309-W312 PolarHBondContact O-N 3.01Å; M310-W312 VanDerWaalsContact C-N 3.32Å; M310-W312 PolarHBondContact O-N 3.38Å; W312-A315 PolarHBondContact O-N 3.02Å; W312-V316 WeakPolarHBondContact O-CG2 3.4Å; W312-V316 PolarHBondContact O-N 2.73Å
313	F	96.1	Very high	94.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-48.8	176	-172.6	-92.7	0	0	0	112.2	Y255 C258 I259 A309 M310 D311 A315 V316 C317 F444 Y448	Y255-F313 AromaticContact CD1-CD1 3.54Å; Y255-F313 HydrophobicContact CD1-CD1 3.54Å; Y255-F313 HydrophobicContact CD1-CD2 4.08Å; Y255-F313 AromaticContact CD1-CE1 3.5Å; Y255-F313 HydrophobicContact CD1-CE1 3.5Å; Y255-F313 VanDerWaalsContact CD1-CE1 3.5Å; Y255-F313 HydrophobicContact CD1-CE2 4.04Å; Y255-F313 AromaticContact CD1-CG 3.84Å; Y255-F313 HydrophobicContact CD1-CG 3.84Å; Y255-F313 AromaticContact CD1-CZ 3.76Å; Y255-F313 HydrophobicContact CD1-CZ 3.76Å; Y255-F313 HydrophobicContact CE1-CB 3.98Å; Y255-F313 AromaticContact CE1-CD1 3.68Å; Y255-F313 HydrophobicContact CE1-CD1 3.68Å; Y255-F313 AromaticContact CE1-CD2 3.87Å; Y255-F313 HydrophobicContact CE1-CD2 3.87Å; Y255-F313 HydrophobicContact CE1-CE1 4.11Å; Y255-F313 HydrophobicContact CE1-CE2 4.28Å; Y255-F313 AromaticContact CE1-CG 3.55Å; Y255-F313 HydrophobicContact CE1-CG 3.55Å; Y255-F313 HydrophobicContact CE1-CZ 4.39Å; Y255-F313 HydrophobicContact CG-CE1 4.46Å; C258-F313 HydrophobicContact CB-CE1 3.97Å; I259-F313 HydrophobicContact CD1-CZ 4.22Å; I259-F313 HydrophobicContact CG1-CE1 4.45Å; I259-F313 HydrophobicContact CG1-CZ 3.89Å; A309-F313 PolarHBondContact O-N 2.9Å; M310-F313 WeakPolarHBondContact O-CB 3.08Å; M310-F313 PolarHBondContact O-N 2.66Å; D311-F313 VanDerWaalsContact C-N 3.35Å; F313-A315 PolarHBondContact O-N 3.29Å; F313-V316 PolarHBondContact O-N 3.38Å; F313-C317 WeakPolarHBondContact CE1-SG 3.44Å; F313-C317 WeakPolarHBondContact O-CB 3.46Å; F313-C317 PolarHBondContact O-N 2.87Å; F313-C317 PolarHBondContact O-SG 3.3Å; F313-F444 AromaticContact CD2-CE1 3.71Å; F313-F444 HydrophobicContact CD2-CE1 3.71Å; F313-F444 AromaticContact CD2-CZ 3.89Å; F313-F444 HydrophobicContact CD2-CZ 3.89Å; F313-F444 AromaticContact CE2-CE1 3.77Å; F313-F444 HydrophobicContact CE2-CE1 3.77Å; F313-F444 HydrophobicContact CE2-CZ 4.4Å; F313-Y448 HydrophobicContact CB-CD2 4.49Å; F313-Y448 HydrophobicContact CB-CE1 4.41Å; F313-Y448 HydrophobicContact CB-CE2 3.82Å; F313-Y448 AromaticContact CD2-CD1 3.73Å; F313-Y448 HydrophobicContact CD2-CD1 3.73Å; F313-Y448 HydrophobicContact CD2-CD2 4.1Å; F313-Y448 AromaticContact CD2-CE1 3.73Å; F313-Y448 HydrophobicContact CD2-CE1 3.73Å; F313-Y448 HydrophobicContact CD2-CE2 4.09Å; F313-Y448 AromaticContact CD2-CG 3.93Å; F313-Y448 HydrophobicContact CD2-CG 3.93Å; F313-Y448 AromaticContact CD2-CZ 3.92Å; F313-Y448 HydrophobicContact CE2-CD1 4.19Å; F313-Y448 HydrophobicContact CE2-CE1 4.42Å; F313-Y448 HydrophobicContact CG-CE1 4.34Å; F313-Y448 HydrophobicContact CG-CE2 4.44Å
314	I	95.3	Very high	94.4	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-43.4	177.5	-68.7	173.5	0	0	0	110.4	T254 M290 A297 M310 D311 V316 C317 F318	T254-I314 HydrophobicContact CG2-CD1 4.03Å; T254-I314 HydrophobicContact CG2-CG1 4.45Å; M290-I314 HydrophobicContact CE-CB 4.17Å; M290-I314 HydrophobicContact CE-CG2 3.69Å; M290-I314 WeakPolarHBondContact CE-O 3.41Å; A297-I314 HydrophobicContact CB-CD1 3.81Å; M310-I314 HydrophobicContact CG-CD1 3.92Å; M310-I314 HydrophobicContact CG-CG1 4.46Å; M310-I314 WeakPolarHBondContact O-CG1 3.34Å; M310-I314 PolarHBondContact O-N 3.4Å; D311-I314 PolarHBondContact O-N 3.48Å; I314-V316 PolarHBondContact O-N 3.22Å; I314-C317 PolarHBondContact O-N 3.09Å; I314-F318 WeakPolarHBondContact O-CB 3.49Å; I314-F318 PolarHBondContact O-N 2.84Å
315	A	95.7	Very high	94.6	Very high	51 Å²	51	41.4 Å²	41.4	42%	0.421	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-42.8	179	0	0	0	0	0	112.2	D311 W312 F313 F318 A319	D311-A315 VanDerWaalsContact O-CB 3.23Å; D311-A315 WeakPolarHBondContact O-CB 3.43Å; D311-A315 PolarHBondContact O-N 3.42Å; W312-A315 PolarHBondContact O-N 3.02Å; F313-A315 PolarHBondContact O-N 3.29Å; A315-F318 PolarHBondContact O-N 2.88Å; A315-A319 PolarHBondContact O-N 3.34Å
316	V	96.6	Very high	94.8	Very high	39 Å²	39	39.7 Å²	39.7	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-44.1	176.6	173	0	0	0	0	110.9	W312 F313 I314 F318 A319 F320 F444	W312-V316 WeakPolarHBondContact O-CG2 3.4Å; W312-V316 PolarHBondContact O-N 2.73Å; F313-V316 PolarHBondContact O-N 3.38Å; I314-V316 PolarHBondContact O-N 3.22Å; V316-F318 VanDerWaalsContact C-N 3.27Å; V316-F318 PolarHBondContact O-N 3.34Å; V316-A319 WeakPolarHBondContact O-CB 3.38Å; V316-A319 PolarHBondContact O-N 3.04Å; V316-A319 VanDerWaalsContact O-N 3.14Å; V316-F320 HydrophobicContact CG1-CD2 3.76Å; V316-F320 HydrophobicContact CG1-CE2 3.63Å; V316-F320 VanDerWaalsContact O-CD2 3.28Å; V316-F320 WeakPolarHBondContact O-CD2 3.33Å; V316-F320 PolarHBondContact O-N 3.42Å; V316-F444 HydrophobicContact CB-CD2 4.48Å; V316-F444 HydrophobicContact CB-CE1 4.01Å; V316-F444 HydrophobicContact CB-CE2 3.87Å; V316-F444 HydrophobicContact CB-CZ 3.61Å; V316-F444 HydrophobicContact CG1-CD1 3.79Å; V316-F444 HydrophobicContact CG1-CD2 3.79Å; V316-F444 HydrophobicContact CG1-CE1 3.67Å; V316-F444 HydrophobicContact CG1-CE2 3.68Å; V316-F444 HydrophobicContact CG1-CG 3.85Å; V316-F444 HydrophobicContact CG1-CZ 3.62Å; V316-F444 HydrophobicContact CG2-CD2 4.45Å; V316-F444 HydrophobicContact CG2-CE2 3.75Å; V316-F444 HydrophobicContact CG2-CZ 3.93Å
317	C	96.9	Very high	94.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-40.7	174.8	-70.4	0	0	0	0	111.6	V262 M290 F313 I314 F320 V321	V262-C317 HydrophobicContact CG2-CB 3.74Å; M290-C317 HydrophobicContact CE-CB 3.32Å; M290-C317 HydrophobicContact SD-CB 4.16Å; F313-C317 WeakPolarHBondContact CE1-SG 3.44Å; F313-C317 WeakPolarHBondContact O-CB 3.46Å; F313-C317 PolarHBondContact O-N 2.87Å; F313-C317 PolarHBondContact O-SG 3.3Å; I314-C317 PolarHBondContact O-N 3.09Å; C317-F320 PolarHBondContact O-N 2.94Å; C317-V321 WeakPolarHBondContact O-CG2 3.28Å; C317-V321 PolarHBondContact O-N 3.06Å
318	F	95.8	Very high	94.9	Very high	73 Å²	73	35.8 Å²	35.8	32%	0.32	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-43.1	175.3	-172.6	-88	0	0	0	111.5	V287 M290 I314 A315 V316 F320 V321 F322	V287-F318 HydrophobicContact CG1-CE2 4.19Å; V287-F318 HydrophobicContact CG1-CZ 4.27Å; M290-F318 HydrophobicContact CB-CD2 4.11Å; M290-F318 HydrophobicContact CE-CB 4.36Å; M290-F318 HydrophobicContact CG-CB 4.03Å; M290-F318 HydrophobicContact CG-CD2 3.72Å; M290-F318 HydrophobicContact CG-CG 4.35Å; I314-F318 WeakPolarHBondContact O-CB 3.49Å; I314-F318 PolarHBondContact O-N 2.84Å; A315-F318 PolarHBondContact O-N 2.88Å; V316-F318 VanDerWaalsContact C-N 3.27Å; V316-F318 PolarHBondContact O-N 3.34Å; F318-F320 VanDerWaalsContact C-N 3.32Å; F318-F320 PolarHBondContact O-N 3.07Å; F318-V321 PolarHBondContact O-N 3.16Å; F318-F322 VanDerWaalsContact O-CB 3.3Å; F318-F322 WeakPolarHBondContact O-CB 3.34Å; F318-F322 PolarHBondContact O-N 3.02Å
319	A	96.7	Very high	94.8	Very high	50 Å²	50	38.3 Å²	38.3	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-39.7	175.2	0	0	0	0	0	112.2	A315 V316 S323	A315-A319 PolarHBondContact O-N 3.34Å; V316-A319 WeakPolarHBondContact O-CB 3.38Å; V316-A319 PolarHBondContact O-N 3.04Å; V316-A319 VanDerWaalsContact O-N 3.14Å; A319-S323 VanDerWaalsContact O-CB 3.23Å; A319-S323 WeakPolarHBondContact O-CB 3.45Å; A319-S323 PolarHBondContact O-N 3.33Å; A319-S323 PolarHBondContact O-OG 2.91Å
320	F	96.6	Very high	94.7	Very high	34 Å²	34	39.8 Å²	39.8	15%	0.149	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-46.9	175.5	-88.2	-75.5	0	0	0	112.8	V262 V316 C317 F318 F322 S323 A324 F437 S440 F441	V262-F320 HydrophobicContact CG1-CB 4.15Å; V316-F320 HydrophobicContact CG1-CD2 3.76Å; V316-F320 HydrophobicContact CG1-CE2 3.63Å; V316-F320 VanDerWaalsContact O-CD2 3.28Å; V316-F320 WeakPolarHBondContact O-CD2 3.33Å; V316-F320 PolarHBondContact O-N 3.42Å; C317-F320 PolarHBondContact O-N 2.94Å; F318-F320 VanDerWaalsContact C-N 3.32Å; F318-F320 PolarHBondContact O-N 3.07Å; F320-F322 VanDerWaalsContact C-N 3.35Å; F320-S323 PolarHBondContact O-N 3.48Å; F320-A324 PolarHBondContact O-N 3.39Å; F320-F437 HydrophobicContact CD1-CD1 4.05Å; F320-S440 WeakPolarHBondContact CE1-OG 3.48Å; F320-F441 AromaticContact CD2-CD2 3.79Å; F320-F441 HydrophobicContact CD2-CD2 3.79Å; F320-F441 HydrophobicContact CD2-CE2 4.45Å; F320-F441 HydrophobicContact CE1-CB 4.19Å; F320-F441 HydrophobicContact CE2-CB 4.44Å; F320-F441 AromaticContact CE2-CD2 3.87Å; F320-F441 HydrophobicContact CE2-CD2 3.87Å; F320-F441 HydrophobicContact CG-CD2 4.28Å; F320-F441 HydrophobicContact CZ-CB 4.14Å; F320-F441 HydrophobicContact CZ-CD2 4.41Å
321	V	96.4	Very high	94.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-44.4	177.6	174.4	0	0	0	0	110.6	T261 V262 A265 T286 V287 C317 F318 S323 A324 L325	T261-V321 HydrophobicContact CG2-CG2 4.39Å; V262-V321 HydrophobicContact CG2-CG2 4.04Å; A265-V321 HydrophobicContact CB-CB 4.46Å; A265-V321 HydrophobicContact CB-CG1 4.31Å; A265-V321 HydrophobicContact CB-CG2 4.11Å; T286-V321 WeakPolarHBondContact OG1-CG1 3.39Å; V287-V321 HydrophobicContact CB-CG1 4.44Å; V287-V321 HydrophobicContact CG2-CG1 3.71Å; C317-V321 WeakPolarHBondContact O-CG2 3.28Å; C317-V321 PolarHBondContact O-N 3.06Å; F318-V321 PolarHBondContact O-N 3.16Å; V321-S323 VanDerWaalsContact C-N 3.35Å; V321-S323 PolarHBondContact O-N 3.47Å; V321-A324 WeakPolarHBondContact O-CB 3.25Å; V321-A324 PolarHBondContact O-N 2.94Å; V321-L325 PolarHBondContact O-N 3.07Å
322	F	95.4	Very high	94.4	Very high	99 Å²	99	41.5 Å²	41.5	43%	0.434	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-38.5	177.2	-166.8	-106.9	0	0	0	112.2	F318 F320 A324 L325 I326	F318-F322 VanDerWaalsContact O-CB 3.3Å; F318-F322 WeakPolarHBondContact O-CB 3.34Å; F318-F322 PolarHBondContact O-N 3.02Å; F320-F322 VanDerWaalsContact C-N 3.35Å; F322-A324 VanDerWaalsContact C-N 3.3Å; F322-A324 PolarHBondContact O-N 3.36Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 2.98Å; F322-L325 VanDerWaalsContact O-N 3.14Å; F322-I326 HydrophobicContact CD1-CD1 3.69Å; F322-I326 HydrophobicContact CD1-CG1 4.31Å; F322-I326 HydrophobicContact CE1-CD1 3.59Å; F322-I326 HydrophobicContact CE1-CG1 4.17Å; F322-I326 WeakPolarHBondContact O-CG1 3.48Å; F322-I326 PolarHBondContact O-N 2.93Å
323	S	94.9	Very high	94.1	Very high	49 Å²	49	41.5 Å²	41.5	34%	0.343	23%	0.231	S	C	.	.	H	α-helix	trans	-63.7	-34.6	175.1	-60.9	0	0	0	0	112.2	A319 F320 V321 L325 I326 E327	A319-S323 VanDerWaalsContact O-CB 3.23Å; A319-S323 WeakPolarHBondContact O-CB 3.45Å; A319-S323 PolarHBondContact O-N 3.33Å; A319-S323 PolarHBondContact O-OG 2.91Å; F320-S323 PolarHBondContact O-N 3.48Å; V321-S323 VanDerWaalsContact C-N 3.35Å; V321-S323 PolarHBondContact O-N 3.47Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-I326 PolarHBondContact O-N 3.49Å; S323-E327 WeakPolarHBondContact O-CB 3.16Å; S323-E327 PolarHBondContact O-N 3.13Å
324	A	93.5	Very high	93.8	Very high	5 Å²	5	46.2 Å²	46.2	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-35.3	173.4	0	0	0	0	0	112.3	A265 F269 F320 V321 F322 E327 F328 F437	A265-A324 HydrophobicContact CB-CB 4.22Å; F269-A324 HydrophobicContact CE1-CB 4.01Å; F269-A324 HydrophobicContact CZ-CB 3.78Å; F320-A324 PolarHBondContact O-N 3.39Å; V321-A324 WeakPolarHBondContact O-CB 3.25Å; V321-A324 PolarHBondContact O-N 2.94Å; F322-A324 VanDerWaalsContact C-N 3.3Å; F322-A324 PolarHBondContact O-N 3.36Å; A324-E327 WeakPolarHBondContact O-CB 3.23Å; A324-E327 PolarHBondContact O-N 3.21Å; A324-F328 PolarHBondContact O-N 2.67Å; A324-F437 HydrophobicContact CB-CE1 4.42Å
325	L	93.1	Very high	93.4	Very high	44 Å²	44	47.1 Å²	47.1	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-41.1	173.6	-176.4	66.9	0	0	0	111.9	V287 V321 F322 S323 E327 F328 A329	V287-L325 HydrophobicContact CG2-CD2 4.34Å; V321-L325 PolarHBondContact O-N 3.07Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 2.98Å; F322-L325 VanDerWaalsContact O-N 3.14Å; S323-L325 VanDerWaalsContact C-N 3.34Å; L325-E327 VanDerWaalsContact C-N 3.33Å; L325-F328 HydrophobicContact CD1-CD1 4.28Å; L325-F328 PolarHBondContact O-N 3.15Å; L325-A329 PolarHBondContact O-N 3.29Å
326	I	94.4	Very high	93	Very high	94 Å²	94	47.9 Å²	47.9	48%	0.482	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-42	174.2	-67.6	170.5	0	0	0	110.7	F322 S323 F328 A329 A330	F322-I326 HydrophobicContact CD1-CD1 3.69Å; F322-I326 HydrophobicContact CD1-CG1 4.31Å; F322-I326 HydrophobicContact CE1-CD1 3.59Å; F322-I326 HydrophobicContact CE1-CG1 4.17Å; F322-I326 WeakPolarHBondContact O-CG1 3.48Å; F322-I326 PolarHBondContact O-N 2.93Å; S323-I326 PolarHBondContact O-N 3.49Å; I326-F328 VanDerWaalsContact C-N 3.35Å; I326-F328 PolarHBondContact O-N 3.29Å; I326-A329 PolarHBondContact O-N 3.38Å; I326-A330 WeakPolarHBondContact O-CB 3.4Å; I326-A330 PolarHBondContact O-N 2.99Å
327	E	94.3	Very high	92.5	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-48.3	176.2	-170.6	-81.1	168.8	0	0	111.1	F269 R279 S323 A324 L325 A329 A330 V331 I429 S433	F269-E327 HydrophobicContact CD1-CG 4.5Å; F269-E327 WeakPolarHBondContact CD1-OE2 3.49Å; F269-E327 HydrophobicContact CE1-CB 4.15Å; F269-E327 HydrophobicContact CE1-CG 3.95Å; F269-E327 WeakPolarHBondContact CE1-OE2 3.31Å; R279-E327 IonicContact NH2-OE2 3.91Å; R279-E327 PolarHBondContact NH2-OE2 3.15Å; S323-E327 WeakPolarHBondContact O-CB 3.16Å; S323-E327 PolarHBondContact O-N 3.13Å; A324-E327 WeakPolarHBondContact O-CB 3.23Å; A324-E327 PolarHBondContact O-N 3.21Å; L325-E327 VanDerWaalsContact C-N 3.33Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.17Å; E327-A330 WeakPolarHBondContact O-CB 3.3Å; E327-A330 PolarHBondContact O-N 3.43Å; E327-V331 WeakPolarHBondContact O-CG2 3.45Å; E327-V331 PolarHBondContact O-N 3.04Å; E327-V331 WeakPolarHBondContact OE1-CG2 3.42Å; E327-I429 HydrophobicContact CG-CG2 4.07Å; E327-I429 WeakPolarHBondContact OE1-CG2 3.29Å; E327-S433 VanDerWaalsContact CG-OG 3.3Å; E327-S433 WeakPolarHBondContact CG-OG 3.42Å; E327-S433 PolarHBondContact OE1-OG 3.31Å; E327-S433 VanDerWaalsContact OE1-OG 3.07Å
328	F	91.5	Very high	92	Very high	19 Å²	19	53.7 Å²	53.7	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-45.1	174.9	161.2	-112.4	0	0	0	112	V276 R279 T280 A324 L325 I326 A330 V331 N332	V276-F328 HydrophobicContact CG1-CE2 4.34Å; V276-F328 HydrophobicContact CG1-CZ 3.88Å; R279-F328 HydrophobicContact CB-CD2 3.48Å; R279-F328 VanDerWaalsContact CB-CD2 3.48Å; R279-F328 HydrophobicContact CB-CE2 3.47Å; R279-F328 VanDerWaalsContact CB-CE2 3.47Å; R279-F328 HydrophobicContact CB-CG 4.13Å; R279-F328 HydrophobicContact CB-CZ 4.1Å; R279-F328 HydrophobicContact CG-CD2 4.27Å; R279-F328 HydrophobicContact CG-CE2 4.39Å; T280-F328 WeakPolarHBondContact OG1-CE1 3.49Å; T280-F328 VanDerWaalsContact OG1-CZ 3.23Å; T280-F328 WeakPolarHBondContact OG1-CZ 3.3Å; A324-F328 PolarHBondContact O-N 2.67Å; L325-F328 HydrophobicContact CD1-CD1 4.28Å; L325-F328 PolarHBondContact O-N 3.15Å; I326-F328 VanDerWaalsContact C-N 3.35Å; I326-F328 PolarHBondContact O-N 3.29Å; F328-A330 VanDerWaalsContact C-N 3.3Å; F328-A330 PolarHBondContact O-N 3.49Å; F328-V331 PolarHBondContact O-N 3.18Å; F328-N332 HydrophobicContact CE2-CB 4.29Å; F328-N332 WeakPolarHBondContact O-CB 3.18Å; F328-N332 PolarHBondContact O-N 3.44Å
329	A	91.8	Very high	91.5	Very high	53 Å²	53	52 Å²	52	44%	0.438	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-41.2	177.8	0	0	0	0	0	111.6	L325 I326 E327 Y333	L325-A329 PolarHBondContact O-N 3.29Å; I326-A329 PolarHBondContact O-N 3.38Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.17Å; A329-Y333 VanDerWaalsContact O-CB 3.29Å; A329-Y333 WeakPolarHBondContact O-CB 3.38Å; A329-Y333 PolarHBondContact O-N 3.24Å
330	A	91.3	Very high	91	Very high	31 Å²	31	53.3 Å²	53.3	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-47.7	175.4	0	0	0	0	0	111.7	I326 E327 F328 N332 Y333 F334	I326-A330 WeakPolarHBondContact O-CB 3.4Å; I326-A330 PolarHBondContact O-N 2.99Å; E327-A330 WeakPolarHBondContact O-CB 3.3Å; E327-A330 PolarHBondContact O-N 3.43Å; F328-A330 VanDerWaalsContact C-N 3.3Å; F328-A330 PolarHBondContact O-N 3.49Å; A330-N332 VanDerWaalsContact C-N 3.34Å; A330-N332 PolarHBondContact O-N 3.36Å; A330-Y333 PolarHBondContact O-N 2.87Å; A330-F334 HydrophobicContact CB-CD2 4.4Å; A330-F334 HydrophobicContact CB-CE2 4.34Å; A330-F334 WeakPolarHBondContact O-CD2 3.48Å; A330-F334 PolarHBondContact O-N 2.86Å
331	V	90.8	Very high	90.6	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-45.5	177.4	171.7	0	0	0	0	111	K273 E327 F328 S335 I429	K273-V331 HydrophobicContact CB-CG1 4.23Å; E327-V331 WeakPolarHBondContact O-CG2 3.45Å; E327-V331 PolarHBondContact O-N 3.04Å; E327-V331 WeakPolarHBondContact OE1-CG2 3.42Å; F328-V331 PolarHBondContact O-N 3.18Å; V331-S335 WeakPolarHBondContact O-CB 3.34Å; V331-S335 PolarHBondContact O-N 3.41Å; V331-I429 HydrophobicContact CG2-CB 3.93Å; V331-I429 HydrophobicContact CG2-CD1 4.36Å; V331-I429 HydrophobicContact CG2-CG2 3.9Å
332	N	89.9	Confident	90.1	Very high	55 Å²	55	63 Å²	63	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-48.3	177.8	-172.4	43.2	0	0	0	111	F328 A330 F334 S335 T336	F328-N332 HydrophobicContact CE2-CB 4.29Å; F328-N332 WeakPolarHBondContact O-CB 3.18Å; F328-N332 PolarHBondContact O-N 3.44Å; A330-N332 VanDerWaalsContact C-N 3.34Å; A330-N332 PolarHBondContact O-N 3.36Å; N332-F334 PolarHBondContact O-N 3.01Å; N332-S335 PolarHBondContact O-N 3.02Å; N332-T336 WeakPolarHBondContact O-CB 3.47Å; N332-T336 PolarHBondContact O-N 3.24Å; N332-T336 PolarHBondContact O-OG1 2.9Å
333	Y	90.1	Very high	89.7	Confident	154 Å²	154	63.8 Å²	63.8	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-59.2	-48.9	178.9	-179.8	-100	0	0	0	112.6	A329 A330 T336 L337	A329-Y333 VanDerWaalsContact O-CB 3.29Å; A329-Y333 WeakPolarHBondContact O-CB 3.38Å; A329-Y333 PolarHBondContact O-N 3.24Å; A330-Y333 PolarHBondContact O-N 2.87Å; Y333-T336 PolarHBondContact O-N 3.37Å; Y333-L337 WeakPolarHBondContact O-CB 3.49Å; Y333-L337 PolarHBondContact O-N 3.37Å
334	F	89.3	Confident	89.3	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-67.3	-37.6	178.9	-73.5	-60.2	0	0	0	112.4	A330 N332 L337 Q338 I429	A330-F334 HydrophobicContact CB-CD2 4.4Å; A330-F334 HydrophobicContact CB-CE2 4.34Å; A330-F334 WeakPolarHBondContact O-CD2 3.48Å; A330-F334 PolarHBondContact O-N 2.86Å; N332-F334 PolarHBondContact O-N 3.01Å; F334-L337 PolarHBondContact O-N 3.42Å; F334-Q338 WeakPolarHBondContact O-CB 3.37Å; F334-Q338 VanDerWaalsContact O-CG 3.31Å; F334-Q338 WeakPolarHBondContact O-CG 3.32Å; F334-Q338 PolarHBondContact O-N 3.19Å; F334-I429 HydrophobicContact CD2-CD1 3.63Å; F334-I429 HydrophobicContact CE2-CD1 4.13Å
335	S	86.4	Confident	89	Confident	25 Å²	25	76.1 Å²	76.1	18%	0.175	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-45.5	175.2	-173.1	0	0	0	0	111.3	V331 N332 L337 Q338 A339	V331-S335 WeakPolarHBondContact O-CB 3.34Å; V331-S335 PolarHBondContact O-N 3.41Å; N332-S335 PolarHBondContact O-N 3.02Å; S335-L337 PolarHBondContact O-N 3.12Å; S335-Q338 PolarHBondContact O-N 3Å; S335-A339 WeakPolarHBondContact O-CB 3.24Å; S335-A339 PolarHBondContact O-N 3.4Å
336	T	86.6	Confident	88.7	Confident	67 Å²	67	76.1 Å²	76.1	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-40.4	175.1	-55.5	0	0	0	0	111.9	N332 Y333 A339 N340	N332-T336 WeakPolarHBondContact O-CB 3.47Å; N332-T336 PolarHBondContact O-N 3.24Å; N332-T336 PolarHBondContact O-OG1 2.9Å; Y333-T336 PolarHBondContact O-N 3.37Å; T336-A339 PolarHBondContact O-N 3.14Å; T336-N340 WeakPolarHBondContact O-CB 3.29Å; T336-N340 VanDerWaalsContact O-CG 3.23Å; T336-N340 PolarHBondContact O-N 3.05Å; T336-N340 PolarHBondContact O-ND2 2.81Å
337	L	87.4	Confident	88.4	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.288	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-43.6	177	-176.2	66.1	0	0	0	111.9	Y333 F334 S335 N340 R341	Y333-L337 WeakPolarHBondContact O-CB 3.49Å; Y333-L337 PolarHBondContact O-N 3.37Å; F334-L337 PolarHBondContact O-N 3.42Å; S335-L337 PolarHBondContact O-N 3.12Å; L337-N340 PolarHBondContact O-N 2.93Å; L337-R341 WeakPolarHBondContact O-CG 3.38Å; L337-R341 PolarHBondContact O-N 3.01Å
338	Q	85.8	Confident	88.1	Confident	106 Å²	106	76.7 Å²	76.7	50%	0.495	40%	0.4	S	S	.	.	H	α-helix	trans	-64	-46.9	175.7	-73.4	175.4	-0.6	0	0	111.1	F334 S335 N340 R341 E342	F334-Q338 WeakPolarHBondContact O-CB 3.37Å; F334-Q338 VanDerWaalsContact O-CG 3.31Å; F334-Q338 WeakPolarHBondContact O-CG 3.32Å; F334-Q338 PolarHBondContact O-N 3.19Å; S335-Q338 PolarHBondContact O-N 3Å; Q338-N340 VanDerWaalsContact C-N 3.33Å; Q338-N340 PolarHBondContact O-N 2.75Å; Q338-R341 PolarHBondContact O-N 3.22Å; Q338-R341 VanDerWaalsContact O-N 3.13Å; Q338-E342 WeakPolarHBondContact O-CG 3.43Å; Q338-E342 PolarHBondContact O-N 2.95Å
339	A	84.8	Confident	87.8	Confident	37 Å²	37	81.5 Å²	81.5	31%	0.306	43%	0.425	S	S	.	.	H	α-helix	trans	-57	-45.4	176.3	0	0	0	0	0	111.8	S335 T336 R341 E342 L343	S335-A339 WeakPolarHBondContact O-CB 3.24Å; S335-A339 PolarHBondContact O-N 3.4Å; T336-A339 PolarHBondContact O-N 3.14Å; A339-R341 PolarHBondContact O-N 3.35Å; A339-E342 PolarHBondContact O-N 3.32Å; A339-L343 WeakPolarHBondContact O-CB 3.46Å; A339-L343 VanDerWaalsContact O-CG 3.3Å; A339-L343 WeakPolarHBondContact O-CG 3.48Å; A339-L343 PolarHBondContact O-N 3.35Å
340	N	87.2	Confident	87.6	Confident	77 Å²	77	86.4 Å²	86.4	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-64.8	-36	176.9	-73.4	-19.1	0	0	0	113	T336 L337 Q338 R344	T336-N340 WeakPolarHBondContact O-CB 3.29Å; T336-N340 VanDerWaalsContact O-CG 3.23Å; T336-N340 PolarHBondContact O-N 3.05Å; T336-N340 PolarHBondContact O-ND2 2.81Å; L337-N340 PolarHBondContact O-N 2.93Å; Q338-N340 VanDerWaalsContact C-N 3.33Å; Q338-N340 PolarHBondContact O-N 2.75Å; N340-R344 WeakPolarHBondContact O-CG 3.46Å; N340-R344 PolarHBondContact O-N 3.23Å
341	R	86.9	Confident	87.3	Confident	146 Å²	146	87.1 Å²	87.1	55%	0.551	44%	0.443	S	S	*	.	H	α-helix	trans	-66.7	-43.8	175.1	-76.1	175.1	179.1	-176.9	0.4	111.7	L337 Q338 A339 R344 K345	L337-R341 WeakPolarHBondContact O-CG 3.38Å; L337-R341 PolarHBondContact O-N 3.01Å; Q338-R341 PolarHBondContact O-N 3.22Å; Q338-R341 VanDerWaalsContact O-N 3.13Å; A339-R341 PolarHBondContact O-N 3.35Å; R341-R344 PolarHBondContact O-N 2.93Å; R341-K345 WeakPolarHBondContact O-CG 3.47Å; R341-K345 PolarHBondContact O-N 3.4Å
342	E	87.2	Confident	87	Confident	94 Å²	94	89.5 Å²	89.5	44%	0.439	46%	0.463	S	S	.	.	H	α-helix	trans	-67.5	-38.3	177.7	-65.5	-51.7	131.5	0	0	111.8	Q338 A339 R344 K345 A346	Q338-E342 WeakPolarHBondContact O-CG 3.43Å; Q338-E342 PolarHBondContact O-N 2.95Å; A339-E342 PolarHBondContact O-N 3.32Å; E342-R344 VanDerWaalsContact C-N 3.35Å; E342-R344 PolarHBondContact O-N 3.48Å; E342-K345 PolarHBondContact O-N 2.94Å; E342-K345 IonicContact OE1-NZ 3.86Å; E342-K345 PolarHBondContact OE1-NZ 3.19Å; E342-K345 IonicContact OE2-NZ 3.05Å; E342-A346 WeakPolarHBondContact O-CB 3.47Å; E342-A346 PolarHBondContact O-N 2.94Å
343	L	86.8	Confident	86.6	Confident	115 Å²	115	89.8 Å²	89.8	60%	0.602	47%	0.473	S	S	*	.	H	α-helix	trans	-60.6	-41.8	171.8	-72.9	172.1	0	0	0	112.2	A339 A346 A347	A339-L343 WeakPolarHBondContact O-CB 3.46Å; A339-L343 VanDerWaalsContact O-CG 3.3Å; A339-L343 WeakPolarHBondContact O-CG 3.48Å; A339-L343 PolarHBondContact O-N 3.35Å; L343-A346 PolarHBondContact O-N 3.45Å; L343-A347 WeakPolarHBondContact O-CB 3.39Å; L343-A347 PolarHBondContact O-N 2.86Å
344	R	86.4	Confident	86.1	Confident	197 Å²	197	89.5 Å²	89.5	74%	0.743	48%	0.477	S	S	*	.	H	α-helix	trans	-65	-43.3	175.4	-75.2	178.5	-176.4	-176.9	1.5	112.5	N340 R341 E342 A347 A348	N340-R344 WeakPolarHBondContact O-CG 3.46Å; N340-R344 PolarHBondContact O-N 3.23Å; R341-R344 PolarHBondContact O-N 2.93Å; E342-R344 VanDerWaalsContact C-N 3.35Å; E342-R344 PolarHBondContact O-N 3.48Å; R344-A347 PolarHBondContact O-N 3.07Å; R344-A348 WeakPolarHBondContact O-CB 3.49Å; R344-A348 PolarHBondContact O-N 3.02Å
345	K	87.8	Confident	85.5	Confident	115 Å²	115	91.7 Å²	91.7	50%	0.5	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-44.9	175.3	-71.3	175.1	-174.1	168.7	0	111.5	R341 E342 A347 A348 I349	R341-K345 WeakPolarHBondContact O-CG 3.47Å; R341-K345 PolarHBondContact O-N 3.4Å; E342-K345 PolarHBondContact O-N 2.94Å; E342-K345 IonicContact OE1-NZ 3.86Å; E342-K345 PolarHBondContact OE1-NZ 3.19Å; E342-K345 IonicContact OE2-NZ 3.05Å; K345-A347 VanDerWaalsContact C-N 3.33Å; K345-A347 PolarHBondContact O-N 3.28Å; K345-A348 PolarHBondContact O-N 3.14Å; K345-I349 WeakPolarHBondContact O-CG1 3.46Å; K345-I349 PolarHBondContact O-N 3.27Å
346	A	86.7	Confident	85	Confident	45 Å²	45	93.4 Å²	93.4	37%	0.372	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-39	177.4	0	0	0	0	0	112	E342 L343 K350	E342-A346 WeakPolarHBondContact O-CB 3.47Å; E342-A346 PolarHBondContact O-N 2.94Å; L343-A346 PolarHBondContact O-N 3.45Å; A346-K350 WeakPolarHBondContact O-CB 3.38Å; A346-K350 VanDerWaalsContact O-CG 3.31Å; A346-K350 WeakPolarHBondContact O-CG 3.48Å; A346-K350 PolarHBondContact O-N 3.45Å
347	A	87.6	Confident	84.4	Confident	58 Å²	58	93.3 Å²	93.3	48%	0.479	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-42.1	173.5	0	0	0	0	0	112	L343 R344 K345 K350 A351	L343-A347 WeakPolarHBondContact O-CB 3.39Å; L343-A347 PolarHBondContact O-N 2.86Å; R344-A347 PolarHBondContact O-N 3.07Å; K345-A347 VanDerWaalsContact C-N 3.33Å; K345-A347 PolarHBondContact O-N 3.28Å; A347-K350 PolarHBondContact O-N 3.39Å; A347-A351 WeakPolarHBondContact O-CB 3.37Å; A347-A351 PolarHBondContact O-N 3.33Å
348	A	87.1	Confident	83.7	Confident	61 Å²	61	93.5 Å²	93.5	50%	0.504	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-42	176.4	0	0	0	0	0	112.6	R344 K345 A351 A352	R344-A348 WeakPolarHBondContact O-CB 3.49Å; R344-A348 PolarHBondContact O-N 3.02Å; K345-A348 PolarHBondContact O-N 3.14Å; A348-A351 PolarHBondContact O-N 3.26Å; A348-A352 WeakPolarHBondContact O-CB 3.25Å; A348-A352 PolarHBondContact O-N 2.91Å
349	I	87	Confident	82.8	Confident	120 Å²	120	91.7 Å²	91.7	62%	0.615	52%	0.523	S	S	*	.	H	α-helix	trans	-64.4	-42.4	175.6	-67.6	166	0	0	0	110.7	K345 A352 A353	K345-I349 WeakPolarHBondContact O-CG1 3.46Å; K345-I349 PolarHBondContact O-N 3.27Å; I349-A352 PolarHBondContact O-N 3.3Å; I349-A353 WeakPolarHBondContact O-CB 3.39Å; I349-A353 PolarHBondContact O-N 3.3Å
350	K	86.6	Confident	81.8	Confident	155 Å²	155	93.5 Å²	93.5	67%	0.674	54%	0.538	S	S	*	.	H	α-helix	trans	-63	-43.6	175.7	-75.9	178.9	-179.2	-175.9	0	111.8	A346 A347 A353 Q354	A346-K350 WeakPolarHBondContact O-CB 3.38Å; A346-K350 VanDerWaalsContact O-CG 3.31Å; A346-K350 WeakPolarHBondContact O-CG 3.48Å; A346-K350 PolarHBondContact O-N 3.45Å; A347-K350 PolarHBondContact O-N 3.39Å; K350-A353 PolarHBondContact O-N 2.89Å; K350-Q354 WeakPolarHBondContact O-CB 3.44Å; K350-Q354 PolarHBondContact O-N 2.77Å
351	A	85	Confident	80.5	Confident	46 Å²	46	93.9 Å²	93.9	38%	0.38	55%	0.551	S	S	.	*	H	α-helix	trans	-61.8	-46.4	176.4	0	0	0	0	0	111.7	A347 A348 A353 Q354 E355	A347-A351 WeakPolarHBondContact O-CB 3.37Å; A347-A351 PolarHBondContact O-N 3.33Å; A348-A351 PolarHBondContact O-N 3.26Å; A351-A353 VanDerWaalsContact C-N 3.35Å; A351-A353 PolarHBondContact O-N 3.04Å; A351-Q354 PolarHBondContact O-N 2.93Å; A351-Q354 VanDerWaalsContact O-N 3.16Å; A351-E355 PolarHBondContact O-N 2.83Å
352	A	84.2	Confident	79.1	Confident	54 Å²	54	92.3 Å²	92.3	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-63.1	-38.1	176.6	0	0	0	0	0	112.7	A348 I349 Q354 A356	A348-A352 WeakPolarHBondContact O-CB 3.25Å; A348-A352 PolarHBondContact O-N 2.91Å; I349-A352 PolarHBondContact O-N 3.3Å; A352-Q354 VanDerWaalsContact C-N 3.34Å; A352-A356 WeakPolarHBondContact O-CB 3.33Å; A352-A356 PolarHBondContact O-N 3.43Å
353	A	81.1	Confident	77.3	Confident	60 Å²	60	93.7 Å²	93.7	50%	0.496	57%	0.572	S	S	.	*	H	α-helix	trans	-67	-35.6	174.6	0	0	0	0	0	112.3	I349 K350 A351 A357	I349-A353 WeakPolarHBondContact O-CB 3.39Å; I349-A353 PolarHBondContact O-N 3.3Å; K350-A353 PolarHBondContact O-N 2.89Å; A351-A353 VanDerWaalsContact C-N 3.35Å; A351-A353 PolarHBondContact O-N 3.04Å; A353-A357 WeakPolarHBondContact O-CB 3.46Å; A353-A357 PolarHBondContact O-N 2.93Å
354	Q	79.8	Confident	75.4	Confident	149 Å²	149	93.4 Å²	93.4	70%	0.696	58%	0.577	S	S	*	*	H	α-helix	trans	-70.8	-39.4	177	-135.6	168.3	-12.3	0	0	111.7	K350 A351 A352 A357 A358	K350-Q354 WeakPolarHBondContact O-CB 3.44Å; K350-Q354 PolarHBondContact O-N 2.77Å; A351-Q354 PolarHBondContact O-N 2.93Å; A351-Q354 VanDerWaalsContact O-N 3.16Å; A352-Q354 VanDerWaalsContact C-N 3.34Å; Q354-A357 PolarHBondContact O-N 3.2Å; Q354-A358 WeakPolarHBondContact O-CB 3.49Å; Q354-A358 PolarHBondContact O-N 3.48Å
355	E	78.3	Confident	73.1	Confident	143 Å²	143	89.3 Å²	89.3	67%	0.668	59%	0.586	S	S	*	*	H	α-helix	trans	-65.6	-41.9	172.1	-75.7	179.2	171.9	0	0	112.1	A351 A358 A359	A351-E355 PolarHBondContact O-N 2.83Å; E355-A358 PolarHBondContact O-N 3.41Å; E355-A359 WeakPolarHBondContact O-CB 3.37Å; E355-A359 PolarHBondContact O-N 3.38Å
356	A	75.1	Confident	70.6	Confident	61 Å²	61	88.1 Å²	88.1	50%	0.504	60%	0.597	S	S	.	*	H	α-helix	trans	-64.7	-39.5	175.7	0	0	0	0	0	112.5	A352 A359 A360	A352-A356 WeakPolarHBondContact O-CB 3.33Å; A352-A356 PolarHBondContact O-N 3.43Å; A356-A359 PolarHBondContact O-N 2.9Å; A356-A360 WeakPolarHBondContact O-CB 3.45Å; A356-A360 PolarHBondContact O-N 2.97Å
357	A	73.9	Confident	68.1	Low	66 Å²	66	91.4 Å²	91.4	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-66.9	-37.5	174.5	0	0	0	0	0	112.3	A353 Q354 A361	A353-A357 WeakPolarHBondContact O-CB 3.46Å; A353-A357 PolarHBondContact O-N 2.93Å; Q354-A357 PolarHBondContact O-N 3.2Å; A357-A361 PolarHBondContact O-N 3Å
358	A	72.3	Confident	65.4	Low	59 Å²	59	95.5 Å²	95.5	49%	0.488	64%	0.637	S	S	.	*	H	α-helix	trans	-67.9	-38.6	174.2	0	0	0	0	0	112.2	Q354 E355 A361 V362	Q354-A358 WeakPolarHBondContact O-CB 3.49Å; Q354-A358 PolarHBondContact O-N 3.48Å; E355-A358 PolarHBondContact O-N 3.41Å; A358-A361 PolarHBondContact O-N 2.87Å; A358-V362 WeakPolarHBondContact O-CG2 3.25Å
359	A	67.3	Low	62.8	Low	67 Å²	67	96.1 Å²	96.1	55%	0.554	65%	0.649	S	S	*	*	H	α-helix	trans	-68.2	-36.5	176.4	0	0	0	0	0	112.8	E355 A356 A361 V362	E355-A359 WeakPolarHBondContact O-CB 3.37Å; E355-A359 PolarHBondContact O-N 3.38Å; A356-A359 PolarHBondContact O-N 2.9Å; A359-A361 PolarHBondContact O-N 2.87Å; A359-V362 PolarHBondContact O-N 3.36Å
360	A	62.7	Low	60	Low	75 Å²	75	97 Å²	97	62%	0.62	66%	0.66	S	S	*	*	H	α-helix	trans	-67.2	-23.8	175.7	0	0	0	0	0	113.4	A356 V362	A356-A360 WeakPolarHBondContact O-CB 3.45Å; A356-A360 PolarHBondContact O-N 2.97Å; A360-V362 VanDerWaalsContact C-N 3.29Å; A360-V362 PolarHBondContact O-N 3.44Å
361	A	60.8	Low	57.3	Low	85 Å²	85	98.6 Å²	98.6	70%	0.702	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-5.2	176.7	0	0	0	0	0	114.1	A357 A358 A359	A357-A361 PolarHBondContact O-N 3Å; A358-A361 PolarHBondContact O-N 2.87Å; A359-A361 PolarHBondContact O-N 2.87Å
362	V	57.9	Low	54.7	Low	114 Å²	114	99.9 Å²	99.9	69%	0.691	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	13.2	-172.5	-178.3	0	0	0	0	113.4	A358 A359 A360 P364	A358-V362 WeakPolarHBondContact O-CG2 3.25Å; A359-V362 PolarHBondContact O-N 3.36Å; A360-V362 VanDerWaalsContact C-N 3.29Å; A360-V362 PolarHBondContact O-N 3.44Å; V362-P364 VanDerWaalsContact O-CD 3.31Å; V362-P364 WeakPolarHBondContact O-CD 3.41Å
363	V	48.9	Very low	52.1	Low	122 Å²	122	105.2 Å²	105.2	74%	0.739	71%	0.709	S	S	*	*			trans	-71.3	119	173.9	-177	0	0	0	0	110.4
364	P	47.1	Very low	49.8	Very low	109 Å²	109	108.8 Å²	108.8	71%	0.708	72%	0.724	S	S	*	*			trans	-81.9	131.4	179.9	22.4	-12.5	0	0	0	110.9	V362 A366	V362-P364 VanDerWaalsContact O-CD 3.31Å; V362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-A366 PolarHBondContact O-N 2.8Å
365	A	37.1	Very low	47.4	Very low	112 Å²	112	105.6 Å²	105.6	93%	0.926	72%	0.723	S	S	*	*			trans	-70.3	115.6	165.6	0	0	0	0	0	109.3
366	A	36.9	Very low	45.1	Very low	89 Å²	89	104 Å²	104	74%	0.736	73%	0.728	S	S	*	*			trans	-129.6	119.2	169.9	0	0	0	0	0	111.7	P364	P364-A366 PolarHBondContact O-N 2.8Å
367	S	33.8	Very low	43	Very low	115 Å²	115	107.1 Å²	107.1	80%	0.804	74%	0.74	S	S	*	*			trans	124.7	116.3	133	73.1	0	0	0	0	117
368	T	31.2	Very low	40.9	Very low	144 Å²	144	111.3 Å²	111.3	88%	0.883	75%	0.754	S	S	*	*				-174.6	103.7	128.1	31.4	0	0	0	0	106.7
369	G	31.3	Very low	38.9	Very low	73 Å²	73	113.1 Å²	113.1	75%	0.753	77%	0.768	S	S	*	*				67	113.8	107.5	0	0	0	0	0	112.3
370	T	29.1	Very low	37.5	Very low	139 Å²	139	118 Å²	118	85%	0.853	79%	0.785	S	S	*	*				-171.6	155.9	80.5	-40.7	0	0	0	0	111.1
371	E	29.6	Very low	35.8	Very low	189 Å²	189	120.2 Å²	120.2	88%	0.883	80%	0.796	S	S	*	*			trans	-31.2	158.2	-177.8	-62.5	174	148.7	0	0	123.8
372	G	29.9	Very low	34.7	Very low	73 Å²	73	122.1 Å²	122.1	75%	0.753	80%	0.799	S	S	*	*			trans	91.9	131.3	161.3	0	0	0	0	0	113.8
373	D	30.2	Very low	33.5	Very low	166 Å²	166	124.8 Å²	124.8	89%	0.888	81%	0.808	S	S	*	*			cis	-165.7	176.4	20.4	-125.1	-28.6	0	0	0	109.3
374	V	32.6	Very low	33	Very low	135 Å²	135	128.1 Å²	128.1	82%	0.818	81%	0.813	S	S	*	*			trans	-70.4	160.7	-164.4	177.3	0	0	0	0	117.7
375	A	30.3	Very low	32.3	Very low	82 Å²	82	133.1 Å²	133.1	68%	0.678	82%	0.823	S	S	*	*			trans	88.4	108.6	158.9	0	0	0	0	0	117.8
376	S	29.6	Very low	32	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	82%	0.821	S	S	*	*				87.7	131	69.5	80.5	0	0	0	0	116
377	V	30.6	Very low	31.8	Very low	127 Å²	127	142 Å²	142	77%	0.77	82%	0.823	S	S	*	*			trans	97.8	120.4	154.2	-169.7	0	0	0	0	119.5
378	D	29.3	Very low	31.7	Very low	154 Å²	154	143.3 Å²	143.3	82%	0.824	82%	0.821	S	S	*	*			trans	7.4	139.3	152.2	-63.5	-39.7	0	0	0	122.1
379	A	30.7	Very low	31.7	Very low	97 Å²	97	142.4 Å²	142.4	80%	0.802	82%	0.82	S	S	*	*				158.2	137.1	102.3	0	0	0	0	0	113
380	N	37.1	Very low	31.6	Very low	169 Å²	169	143.3 Å²	143.3	90%	0.904	82%	0.82	S	S	*	*			trans	-50.7	137.2	161.7	-77.4	-41.7	0	0	0	112.1
381	S	28.8	Very low	32.7	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	82%	0.815	S	S	*	*			trans	-158.7	133.4	138.4	66.6	0	0	0	0	114.2
382	V	37.6	Very low	32.7	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	81%	0.81	S	S	*	*			trans	-61.1	146.5	165.7	168.2	0	0	0	0	110.7
383	L	31.7	Very low	32.7	Very low	170 Å²	170	145.6 Å²	145.6	89%	0.89	82%	0.817	S	S	*	*			trans	-167	114.5	135.4	-104.1	147.5	0	0	0	114.1
384	K	37.8	Very low	32.6	Very low	192 Å²	192	144.7 Å²	144.7	84%	0.835	81%	0.813	S	S	*	*			trans	-57.5	144.5	156.7	-78.6	168.5	169.3	169.3	0	110.4
385	K	32.6	Very low	33	Very low	214 Å²	214	143.9 Å²	143.9	93%	0.93	81%	0.81	S	S	*	*			trans	-145	121.2	148	-152.2	170.1	-177	177.2	0	111.5
386	R	31.4	Very low	33.6	Very low	233 Å²	233	145.5 Å²	145.5	88%	0.879	81%	0.814	S	S	*	*			trans	-106.4	150.9	170.6	-131.9	-175.9	-178.1	-177.1	-0.2	107
387	M	33.7	Very low	33.6	Very low	156 Å²	156	144.8 Å²	144.8	77%	0.768	81%	0.814	S	S	*	*				131.2	115.2	127.3	-152.6	139.8	70.8	0	0	117.3
388	N	31.1	Very low	33.6	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	82%	0.818	S	S	*	*			trans	42.9	138.5	133.7	-56.9	-3.4	0	0	0	122.6
389	S	30.8	Very low	33.5	Very low	124 Å²	124	147 Å²	147	87%	0.867	82%	0.818	S	S	*	*				175.7	152.4	89.5	44.3	0	0	0	0	114.2
390	A	30.1	Very low	33.5	Very low	92 Å²	92	151.2 Å²	151.2	76%	0.76	82%	0.818	S	S	*	*			trans	-80.3	-157.2	-176.6	0	0	0	0	0	113.8
391	P	50.3	Low	33.4	Very low	115 Å²	115	148.9 Å²	148.9	75%	0.747	81%	0.812	S	S	*	*			cis	-143.3	-168.6	-6.8	33.6	-8.7	0	0	0	115.9
392	V	29.6	Very low	33.6	Very low	128 Å²	128	149.9 Å²	149.9	78%	0.776	81%	0.808	S	S	*	*				153.7	120.9	129.3	169.7	0	0	0	0	116.7
393	F	29.9	Very low	33.5	Very low	206 Å²	206	149.7 Å²	149.7	90%	0.904	81%	0.809	S	S	*	*			trans	52.6	131.8	144.3	-91.4	-104.4	0	0	0	128.7
394	D	29.2	Very low	33.7	Very low	148 Å²	148	147.5 Å²	147.5	79%	0.791	81%	0.805	S	S	*	*			trans	-76.4	178.8	165.6	-76.6	-45	0	0	0	114.6
395	P	40.3	Very low	33.6	Very low	117 Å²	117	144.7 Å²	144.7	76%	0.76	80%	0.804	S	S	*	*			cis	-150.9	-150	27.8	39.9	-13.3	0	0	0	116.2
396	P	44.2	Very low	33.8	Very low	117 Å²	117	141.8 Å²	141.8	76%	0.76	80%	0.798	S	S	*	*				-125.7	169.3	-57.3	32.7	-13.3	0	0	0	116.9
397	A	29.2	Very low	34	Very low	92 Å²	92	135 Å²	135	76%	0.76	79%	0.793	S	S	*	*			trans	92	123.4	141.8	0	0	0	0	0	123.8
398	K	29.7	Very low	34.1	Very low	198 Å²	198	136.8 Å²	136.8	86%	0.861	80%	0.799	S	S	*	*			trans	101.4	122.9	150.6	-63.4	-173.5	-177.9	176.8	0	120.1
399	T	27.7	Very low	34.4	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	80%	0.802	S	S	*	*			trans	100.5	121.2	148.2	-9.4	0	0	0	0	118.7
400	F	31.2	Very low	34.6	Very low	184 Å²	184	136.6 Å²	136.6	81%	0.807	80%	0.801	S	S	*	*			trans	-20.5	154.8	171.8	-67.6	-80.6	0	0	0	119.1
401	P	33.6	Very low	34.9	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	81%	0.808	S	S	*	*			cis	-145.1	169.5	46.5	36.1	-13.3	0	0	0	118.7
402	N	34.6	Very low	34.3	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	82%	0.817	S	S	*	*			trans	-58.3	155.4	175.3	-61.2	-38.2	0	0	0	113.8
403	P	34.9	Very low	34.9	Very low	121 Å²	121	147.1 Å²	147.1	79%	0.786	82%	0.821	S	S	*	*				-139.4	172.6	106	28	-7.6	0	0	0	113.8
404	P	36.9	Very low	35.5	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	82%	0.82	S	S	*	*			trans	-100.1	166.5	-136.7	38.2	-36.7	0	0	0	116.4
405	V	34.7	Very low	35.6	Very low	133 Å²	133	140.2 Å²	140.2	81%	0.806	82%	0.823	S	S	*	*			trans	-51.7	133.6	173	176.8	0	0	0	0	113.2	A407	V405-A407 PolarHBondContact O-N 2.96Å
406	N	37.5	Very low	35.5	Very low	153 Å²	153	139 Å²	139	82%	0.818	82%	0.823	S	S	*	*			trans	-60.3	108.5	165.3	-77.7	-29.8	0	0	0	111.1
407	A	34.2	Very low	35.4	Very low	92 Å²	92	139.5 Å²	139.5	76%	0.76	82%	0.824	S	S	*	*			trans	-117.5	71	164.8	0	0	0	0	0	109.4	V405	V405-A407 PolarHBondContact O-N 2.96Å
408	Q	37	Very low	35.9	Very low	192 Å²	192	140.2 Å²	140.2	90%	0.897	82%	0.821	S	S	*	*			trans	-111.9	47.4	171.8	-79.5	-172.4	-28.2	0	0	111.9
409	A	37.4	Very low	36.5	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	81%	0.813	S	S	*	*	S	Bend	trans	-131.2	16.4	174.3	0	0	0	0	0	114.7
410	L	34.6	Very low	37	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	81%	0.811	S	S	*	*	S	Bend	trans	-142.4	26.8	-177.7	-125.9	160.7	0	0	0	116.1
411	L	35.6	Very low	37.5	Very low	172 Å²	172	132.8 Å²	132.8	90%	0.901	81%	0.806	S	S	*	*			trans	-136.2	61.6	169.1	-74.2	174.2	0	0	0	111.3
412	Q	38.7	Very low	37.9	Very low	199 Å²	199	132.9 Å²	132.9	93%	0.93	80%	0.804	S	S	*	*			trans	-110.5	51.7	162.7	-153.1	174.5	21.4	0	0	110.3
413	Q	42.7	Very low	38.5	Very low	185 Å²	185	128.9 Å²	128.9	86%	0.864	78%	0.782	S	S	*	*	S	Bend	trans	-146.7	119.5	164.2	-110.8	176.1	-6.5	0	0	108.8
414	G	41.2	Very low	39.2	Very low	85 Å²	85	129 Å²	129	88%	0.876	78%	0.781	S	S	*	*			trans	89.7	85.9	172.3	0	0	0	0	0	114.3
415	S	31.4	Very low	40.2	Very low	123 Å²	123	125 Å²	125	86%	0.86	76%	0.762	S	S	*	*			trans	-138.2	116	146.6	-153.8	0	0	0	0	109.4
416	A	39.8	Very low	41.6	Very low	92 Å²	92	122.7 Å²	122.7	76%	0.76	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-55.7	133.8	176.7	0	0	0	0	0	110.2
417	V	41.5	Very low	43.6	Very low	128 Å²	128	116.6 Å²	116.6	78%	0.776	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-52	135.5	157	178.6	0	0	0	0	107.2	A419	V417-A419 PolarHBondContact O-N 3.32Å
418	P	39.7	Very low	46.1	Very low	107 Å²	107	118.3 Å²	118.3	70%	0.695	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-58.3	132	-178.9	23.3	-31.9	0	0	0	109.4	N420	P418-N420 VanDerWaalsContact C-N 3.34Å; P418-N420 PolarHBondContact O-N 3.4Å
419	A	42.6	Very low	48.5	Very low	86 Å²	86	111.7 Å²	111.7	71%	0.711	68%	0.683	S	S	*	*			trans	-61.5	95	174.9	0	0	0	0	0	109.3	V417 N421	V417-A419 PolarHBondContact O-N 3.32Å; A419-N421 PolarHBondContact O-N 3.01Å; A419-N421 VanDerWaalsContact O-N 3.14Å
420	N	37.1	Very low	50.9	Low	139 Å²	139	107.1 Å²	107.1	74%	0.743	64%	0.644	S	S	*	*			trans	-69.9	104.3	158	-95.5	2.1	0	0	0	106.6	P418 V422	P418-N420 VanDerWaalsContact C-N 3.34Å; P418-N420 PolarHBondContact O-N 3.4Å; N420-V422 PolarHBondContact O-N 2.97Å
421	N	41.3	Very low	53.5	Low	132 Å²	132	105.9 Å²	105.9	71%	0.706	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	23.9	172.4	-78.5	-16	0	0	0	114.5	A419 T424	A419-N421 PolarHBondContact O-N 3.01Å; A419-N421 VanDerWaalsContact O-N 3.14Å; N421-T424 PolarHBondContact O-OG1 3.45Å
422	V	42.4	Very low	56.2	Low	122 Å²	122	105.6 Å²	105.6	74%	0.739	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-7.3	-175.2	-175	0	0	0	0	112.1	N420	N420-V422 PolarHBondContact O-N 2.97Å
423	L	48.4	Very low	58.8	Low	59 Å²	59	96.6 Å²	96.6	31%	0.309	58%	0.579	S	S	.	*			trans	-106.8	14.9	177.6	-115.7	84.5	0	0	0	115.4	K273 G425	K273-L423 WeakPolarHBondContact CE-O 3.38Å; K273-L423 PolarHBondContact NZ-O 3.49Å; L423-G425 PolarHBondContact O-N 3.25Å
424	T	49.4	Very low	61.3	Low	124 Å²	124	90.6 Å²	90.6	76%	0.761	55%	0.549	S	S	*	.			trans	-70.3	29.8	174.7	40.5	0	0	0	0	113.9	N421	N421-T424 PolarHBondContact O-OG1 3.45Å
425	G	57.6	Low	63.8	Low	40 Å²	40	91.6 Å²	91.6	41%	0.412	53%	0.533	S	S	.	.	S	Bend	trans	-99.7	129.4	169.3	0	0	0	0	0	110.5	K273 L423 S427	K273-G425 PolarHBondContact NZ-O 3.03Å; L423-G425 PolarHBondContact O-N 3.25Å; G425-S427 PolarHBondContact O-N 3.29Å
426	T	64.5	Low	66.8	Low	83 Å²	83	91.3 Å²	91.3	51%	0.509	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-52.6	136.6	160.3	39	0	0	0	0	108.6	I428	T426-I428 PolarHBondContact O-N 2.96Å
427	S	79.2	Confident	69.4	Low	25 Å²	25	88.1 Å²	88.1	18%	0.175	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-57.4	138.7	174.5	-177	0	0	0	0	108.3	G425 I429 D430 K431	G425-S427 PolarHBondContact O-N 3.29Å; S427-I429 PolarHBondContact O-N 3.36Å; S427-I429 PolarHBondContact OG-N 3.44Å; S427-D430 VanDerWaalsContact CB-OD2 3.25Å; S427-D430 WeakPolarHBondContact CB-OD2 3.08Å; S427-D430 PolarHBondContact O-N 3.36Å; S427-D430 VanDerWaalsContact O-N 3.12Å; S427-K431 PolarHBondContact O-N 3.36Å
428	I	85.6	Confident	71.9	Confident	128 Å²	128	84.6 Å²	84.6	66%	0.656	47%	0.47	S	S	*	.	H	α-helix	trans	-55.3	-36.5	174.8	-63.2	171	0	0	0	109.3	T426 K431 Y432	T426-I428 PolarHBondContact O-N 2.96Å; I428-K431 WeakPolarHBondContact O-CB 3.36Å; I428-K431 PolarHBondContact O-N 2.88Å; I428-Y432 HydrophobicContact CG2-CD2 3.85Å; I428-Y432 HydrophobicContact CG2-CE2 3.54Å; I428-Y432 WeakPolarHBondContact O-CD2 3.37Å; I428-Y432 PolarHBondContact O-N 3.09Å
429	I	87.6	Confident	74.6	Confident	54 Å²	54	85.2 Å²	85.2	28%	0.277	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-54.7	176.2	-54.1	173.3	0	0	0	110.1	E327 V331 F334 S427 K431 Y432 S433	E327-I429 HydrophobicContact CG-CG2 4.07Å; E327-I429 WeakPolarHBondContact OE1-CG2 3.29Å; V331-I429 HydrophobicContact CG2-CB 3.93Å; V331-I429 HydrophobicContact CG2-CD1 4.36Å; V331-I429 HydrophobicContact CG2-CG2 3.9Å; F334-I429 HydrophobicContact CD2-CD1 3.63Å; F334-I429 HydrophobicContact CE2-CD1 4.13Å; S427-I429 PolarHBondContact O-N 3.36Å; S427-I429 PolarHBondContact OG-N 3.44Å; I429-K431 PolarHBondContact O-N 2.93Å; I429-K431 VanDerWaalsContact O-N 3.16Å; I429-Y432 PolarHBondContact O-N 3.47Å; I429-Y432 VanDerWaalsContact O-N 3.09Å; I429-S433 WeakPolarHBondContact O-CB 3.5Å; I429-S433 PolarHBondContact O-N 2.89Å; I429-S433 PolarHBondContact O-OG 2.98Å
430	D	88.9	Confident	77.2	Confident	4 Å²	4	83.2 Å²	83.2	2%	0.021	45%	0.448	C	S	.	.	H	α-helix	trans	-55.2	-37.8	178.2	-69.8	-50.2	0	0	0	111.5	R279 S427 S433 R434	R279-D430 IonicContact CZ-OD1 2.75Å; R279-D430 IonicContact NH1-OD1 2.93Å; R279-D430 PolarHBondContact NH1-OD1 2.77Å; R279-D430 IonicContact NH1-OD2 2.77Å; R279-D430 PolarHBondContact NH1-OD2 3.35Å; R279-D430 IonicContact NH2-OD1 3.39Å; R279-D430 PolarHBondContact NH2-OD1 2.93Å; S427-D430 VanDerWaalsContact CB-OD2 3.25Å; S427-D430 WeakPolarHBondContact CB-OD2 3.08Å; S427-D430 PolarHBondContact O-N 3.36Å; S427-D430 VanDerWaalsContact O-N 3.12Å; D430-S433 PolarHBondContact O-N 2.88Å; D430-R434 WeakPolarHBondContact O-CG 3.13Å; D430-R434 PolarHBondContact O-N 2.98Å
431	K	89.3	Confident	80	Confident	137 Å²	137	77.2 Å²	77.2	60%	0.596	42%	0.415	S	S	*	.	H	α-helix	trans	-63.4	-42.8	179.5	-171.9	179.3	179.4	-178.6	0	112.3	S427 I428 I429	S427-K431 PolarHBondContact O-N 3.36Å; I428-K431 WeakPolarHBondContact O-CB 3.36Å; I428-K431 PolarHBondContact O-N 2.88Å; I429-K431 PolarHBondContact O-N 2.93Å; I429-K431 VanDerWaalsContact O-N 3.16Å
432	Y	91.9	Very high	82.7	Confident	166 Å²	166	72.8 Å²	72.8	65%	0.651	40%	0.4	S	S	*	.	H	α-helix	trans	-73.5	-41.6	175.4	-73.8	-70.1	0	0	0	111.7	I428 I429 R434 I435 L436	I428-Y432 HydrophobicContact CG2-CD2 3.85Å; I428-Y432 HydrophobicContact CG2-CE2 3.54Å; I428-Y432 WeakPolarHBondContact O-CD2 3.37Å; I428-Y432 PolarHBondContact O-N 3.09Å; I429-Y432 PolarHBondContact O-N 3.47Å; I429-Y432 VanDerWaalsContact O-N 3.09Å; Y432-R434 VanDerWaalsContact C-N 3.28Å; Y432-R434 PolarHBondContact O-N 3.47Å; Y432-I435 PolarHBondContact O-N 3.07Å; Y432-I435 VanDerWaalsContact O-N 3.09Å; Y432-L436 WeakPolarHBondContact O-CB 3.46Å; Y432-L436 PolarHBondContact O-N 3.41Å
433	S	93.5	Very high	85.3	Confident	9 Å²	9	69.6 Å²	69.6	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-56.7	-40.6	179.4	-58.5	0	0	0	0	112.1	E327 I429 D430 I435 F437	E327-S433 VanDerWaalsContact CG-OG 3.3Å; E327-S433 WeakPolarHBondContact CG-OG 3.42Å; E327-S433 PolarHBondContact OE1-OG 3.31Å; E327-S433 VanDerWaalsContact OE1-OG 3.07Å; I429-S433 WeakPolarHBondContact O-CB 3.5Å; I429-S433 PolarHBondContact O-N 2.89Å; I429-S433 PolarHBondContact O-OG 2.98Å; D430-S433 PolarHBondContact O-N 2.88Å; S433-I435 PolarHBondContact O-N 2.77Å; S433-I435 VanDerWaalsContact O-N 3.16Å; S433-F437 WeakPolarHBondContact O-CB 3.29Å; S433-F437 WeakPolarHBondContact O-CD2 3.36Å; S433-F437 PolarHBondContact O-N 3.41Å; S433-F437 VanDerWaalsContact O-N 3.16Å
434	R	93.6	Very high	87.6	Confident	60 Å²	60	68.9 Å²	68.9	23%	0.226	38%	0.381	C	S	.	.	H	α-helix	trans	-58.5	-26	177.6	-75.8	169.5	-167.4	-168.9	2.6	114.7	F269 W270 D430 Y432 P438	F269-R434 HydrophobicContact CB-CG 3.86Å; F269-R434 VanDerWaalsContact O-CZ 3.32Å; F269-R434 PolarHBondContact O-NE 3.08Å; F269-R434 PolarHBondContact O-NH2 3.02Å; W270-R434 HydrophobicContact CZ2-CG 4.27Å; D430-R434 WeakPolarHBondContact O-CG 3.13Å; D430-R434 PolarHBondContact O-N 2.98Å; Y432-R434 VanDerWaalsContact C-N 3.28Å; Y432-R434 PolarHBondContact O-N 3.47Å; R434-P438 WeakPolarHBondContact O-CD 3.31Å; R434-P438 WeakPolarHBondContact O-CG 3.29Å
435	I	93.7	Very high	89.8	Confident	106 Å²	106	64 Å²	64	54%	0.544	35%	0.35	S	S	.	.	H	α-helix	trans	-103.1	-45.2	-178.4	-61.3	171.7	0	0	0	110.1	Y432 S433 L439	Y432-I435 PolarHBondContact O-N 3.07Å; Y432-I435 VanDerWaalsContact O-N 3.09Å; S433-I435 PolarHBondContact O-N 2.77Å; S433-I435 VanDerWaalsContact O-N 3.16Å; I435-L439 HydrophobicContact CG2-CD1 3.62Å; I435-L439 HydrophobicContact CG2-CG 4.44Å; I435-L439 WeakPolarHBondContact O-CB 3.47Å; I435-L439 VanDerWaalsContact O-CG 3.24Å; I435-L439 WeakPolarHBondContact O-CG 3.41Å; I435-L439 PolarHBondContact O-N 2.75Å
436	L	94.4	Very high	91.6	Very high	116 Å²	116	67.3 Å²	67.3	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-69.9	-40.2	-172.3	-168	118.5	0	0	0	112.8	Y432 S440	Y432-L436 WeakPolarHBondContact O-CB 3.46Å; Y432-L436 PolarHBondContact O-N 3.41Å; L436-S440 VanDerWaalsContact O-CB 3.31Å; L436-S440 WeakPolarHBondContact O-CB 3.37Å; L436-S440 PolarHBondContact O-N 2.96Å; L436-S440 PolarHBondContact O-OG 2.97Å
437	F	94.6	Very high	93.1	Very high	25 Å²	25	67.5 Å²	67.5	11%	0.11	36%	0.359	C	S	.	.	H	α-helix	trans	-66.8	-50.4	-178.7	-84.6	-110.3	0	0	0	112.9	Q266 F269 F320 A324 S433 L439 S440 F441	Q266-F437 HydrophobicContact CG-CB 4.32Å; F269-F437 HydrophobicContact CE2-CB 3.81Å; F269-F437 AromaticContact CE2-CD1 3.97Å; F269-F437 HydrophobicContact CE2-CD1 3.97Å; F269-F437 AromaticContact CE2-CD2 3.99Å; F269-F437 HydrophobicContact CE2-CD2 3.99Å; F269-F437 AromaticContact CE2-CG 3.67Å; F269-F437 HydrophobicContact CE2-CG 3.67Å; F269-F437 HydrophobicContact CZ-CB 4.48Å; F269-F437 AromaticContact CZ-CD1 3.82Å; F269-F437 HydrophobicContact CZ-CD1 3.82Å; F269-F437 AromaticContact CZ-CD2 4Å; F269-F437 HydrophobicContact CZ-CD2 4Å; F269-F437 AromaticContact CZ-CE1 3.92Å; F269-F437 HydrophobicContact CZ-CE1 3.92Å; F269-F437 HydrophobicContact CZ-CE2 4.09Å; F269-F437 AromaticContact CZ-CG 3.86Å; F269-F437 HydrophobicContact CZ-CG 3.86Å; F269-F437 HydrophobicContact CZ-CZ 4.05Å; F320-F437 HydrophobicContact CD1-CD1 4.05Å; A324-F437 HydrophobicContact CB-CE1 4.42Å; S433-F437 WeakPolarHBondContact O-CB 3.29Å; S433-F437 WeakPolarHBondContact O-CD2 3.36Å; S433-F437 PolarHBondContact O-N 3.41Å; S433-F437 VanDerWaalsContact O-N 3.16Å; F437-L439 PolarHBondContact O-N 3.14Å; F437-S440 PolarHBondContact O-N 3.35Å; F437-S440 PolarHBondContact O-OG 3.13Å; F437-F441 WeakPolarHBondContact O-CB 3.44Å; F437-F441 PolarHBondContact O-N 3.44Å
438	P	95.4	Very high	93.9	Very high	55 Å²	55	66.8 Å²	66.8	36%	0.357	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-41.2	176.3	-21.2	29.6	0	0	0	113.1	R434 F441 G442	R434-P438 WeakPolarHBondContact O-CD 3.31Å; R434-P438 WeakPolarHBondContact O-CG 3.29Å; P438-F441 PolarHBondContact O-N 3.02Å; P438-G442 PolarHBondContact O-N 3.06Å
439	L	96	Very high	94.3	Very high	120 Å²	120	63.2 Å²	63.2	63%	0.628	33%	0.331	S	S	*	.	H	α-helix	trans	-64.9	-46.3	179.9	-74.6	176.9	0	0	0	112.1	I435 F437 G442 A443	I435-L439 HydrophobicContact CG2-CD1 3.62Å; I435-L439 HydrophobicContact CG2-CG 4.44Å; I435-L439 WeakPolarHBondContact O-CB 3.47Å; I435-L439 VanDerWaalsContact O-CG 3.24Å; I435-L439 WeakPolarHBondContact O-CG 3.41Å; I435-L439 PolarHBondContact O-N 2.75Å; F437-L439 PolarHBondContact O-N 3.14Å; L439-G442 PolarHBondContact O-N 3.38Å; L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.43Å
440	S	96.3	Very high	94.6	Very high	44 Å²	44	65 Å²	65	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-65.8	-39.1	178.3	53.3	0	0	0	0	112.1	F320 L436 F437 A443 F444	F320-S440 WeakPolarHBondContact CE1-OG 3.48Å; L436-S440 VanDerWaalsContact O-CB 3.31Å; L436-S440 WeakPolarHBondContact O-CB 3.37Å; L436-S440 PolarHBondContact O-N 2.96Å; L436-S440 PolarHBondContact O-OG 2.97Å; F437-S440 PolarHBondContact O-N 3.35Å; F437-S440 PolarHBondContact O-OG 3.13Å; S440-A443 PolarHBondContact O-N 3.3Å; S440-F444 WeakPolarHBondContact O-CB 3.23Å; S440-F444 PolarHBondContact O-N 2.87Å
441	F	96.9	Very high	94.8	Very high	13 Å²	13	68.5 Å²	68.5	6%	0.057	36%	0.361	C	S	.	.	H	α-helix	trans	-67.7	-38.5	174.9	-172.9	-116.3	0	0	0	112.5	I259 V262 F320 F437 P438 F444 N445	I259-F441 HydrophobicContact CG1-CE1 4.34Å; I259-F441 HydrophobicContact CG1-CZ 4.1Å; I259-F441 HydrophobicContact CG2-CE1 4.22Å; V262-F441 HydrophobicContact CB-CE1 4.16Å; V262-F441 HydrophobicContact CB-CE2 4.3Å; V262-F441 HydrophobicContact CB-CZ 3.97Å; V262-F441 HydrophobicContact CG1-CD1 3.93Å; V262-F441 HydrophobicContact CG1-CD2 3.95Å; V262-F441 HydrophobicContact CG1-CE1 3.92Å; V262-F441 HydrophobicContact CG1-CE2 3.95Å; V262-F441 HydrophobicContact CG1-CG 3.93Å; V262-F441 HydrophobicContact CG1-CZ 3.93Å; V262-F441 HydrophobicContact CG2-CE2 4.08Å; V262-F441 HydrophobicContact CG2-CZ 4.04Å; F320-F441 AromaticContact CD2-CD2 3.79Å; F320-F441 HydrophobicContact CD2-CD2 3.79Å; F320-F441 HydrophobicContact CD2-CE2 4.45Å; F320-F441 HydrophobicContact CE1-CB 4.19Å; F320-F441 HydrophobicContact CE2-CB 4.44Å; F320-F441 AromaticContact CE2-CD2 3.87Å; F320-F441 HydrophobicContact CE2-CD2 3.87Å; F320-F441 HydrophobicContact CG-CD2 4.28Å; F320-F441 HydrophobicContact CZ-CB 4.14Å; F320-F441 HydrophobicContact CZ-CD2 4.41Å; F437-F441 WeakPolarHBondContact O-CB 3.44Å; F437-F441 PolarHBondContact O-N 3.44Å; P438-F441 PolarHBondContact O-N 3.02Å; F441-F444 HydrophobicContact CD2-CD1 4.15Å; F441-F444 HydrophobicContact CE2-CD1 4.13Å; F441-F444 HydrophobicContact CE2-CE1 4.48Å; F441-F444 PolarHBondContact O-N 2.86Å; F441-N445 VanDerWaalsContact CE1-ND2 3.28Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.33Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.49Å; F441-N445 WeakPolarHBondContact CZ-ND2 3.37Å; F441-N445 PolarHBondContact O-N 3.23Å; F441-N445 PolarHBondContact O-ND2 3.46Å
442	G	96.9	Very high	94.8	Very high	39 Å²	39	64 Å²	64	40%	0.402	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-45.7	173.8	0	0	0	0	0	112.4	P438 L439 F444 N445 L446	P438-G442 PolarHBondContact O-N 3.06Å; L439-G442 PolarHBondContact O-N 3.38Å; G442-F444 PolarHBondContact O-N 3.25Å; G442-N445 PolarHBondContact O-N 3.49Å; G442-L446 WeakPolarHBondContact O-CB 3.49Å; G442-L446 PolarHBondContact O-N 2.92Å
443	A	96.6	Very high	94.6	Very high	54 Å²	54	61.4 Å²	61.4	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-43.3	175.2	0	0	0	0	0	111.9	L439 S440 L446 V447	L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.43Å; S440-A443 PolarHBondContact O-N 3.3Å; A443-L446 PolarHBondContact O-N 3.38Å; A443-V447 WeakPolarHBondContact O-CG2 3.43Å; A443-V447 PolarHBondContact O-N 2.93Å
444	F	96.9	Very high	94.2	Very high	44 Å²	44	66 Å²	66	19%	0.193	37%	0.365	C	S	.	.	H	α-helix	trans	-58.2	-48.9	174.1	165.5	-105	0	0	0	112	F313 V316 S440 F441 G442 L446 V447 Y448	F313-F444 AromaticContact CD2-CE1 3.71Å; F313-F444 HydrophobicContact CD2-CE1 3.71Å; F313-F444 AromaticContact CD2-CZ 3.89Å; F313-F444 HydrophobicContact CD2-CZ 3.89Å; F313-F444 AromaticContact CE2-CE1 3.77Å; F313-F444 HydrophobicContact CE2-CE1 3.77Å; F313-F444 HydrophobicContact CE2-CZ 4.4Å; V316-F444 HydrophobicContact CB-CD2 4.48Å; V316-F444 HydrophobicContact CB-CE1 4.01Å; V316-F444 HydrophobicContact CB-CE2 3.87Å; V316-F444 HydrophobicContact CB-CZ 3.61Å; V316-F444 HydrophobicContact CG1-CD1 3.79Å; V316-F444 HydrophobicContact CG1-CD2 3.79Å; V316-F444 HydrophobicContact CG1-CE1 3.67Å; V316-F444 HydrophobicContact CG1-CE2 3.68Å; V316-F444 HydrophobicContact CG1-CG 3.85Å; V316-F444 HydrophobicContact CG1-CZ 3.62Å; V316-F444 HydrophobicContact CG2-CD2 4.45Å; V316-F444 HydrophobicContact CG2-CE2 3.75Å; V316-F444 HydrophobicContact CG2-CZ 3.93Å; S440-F444 WeakPolarHBondContact O-CB 3.23Å; S440-F444 PolarHBondContact O-N 2.87Å; F441-F444 HydrophobicContact CD2-CD1 4.15Å; F441-F444 HydrophobicContact CE2-CD1 4.13Å; F441-F444 HydrophobicContact CE2-CE1 4.48Å; F441-F444 PolarHBondContact O-N 2.86Å; G442-F444 PolarHBondContact O-N 3.25Å; F444-L446 VanDerWaalsContact C-N 3.33Å; F444-L446 PolarHBondContact O-N 2.9Å; F444-V447 PolarHBondContact O-N 3.37Å; F444-Y448 HydrophobicContact CE2-CD2 4.48Å; F444-Y448 HydrophobicContact CZ-CD2 4.19Å; F444-Y448 HydrophobicContact CZ-CG 4.4Å; F444-Y448 VanDerWaalsContact O-CB 3.26Å; F444-Y448 WeakPolarHBondContact O-CB 3.32Å; F444-Y448 PolarHBondContact O-N 3.47Å
445	N	96.6	Very high	93.5	Very high	21 Å²	21	68 Å²	68	11%	0.112	38%	0.376	C	S	.	.	H	α-helix	trans	-60.4	-44.5	178.6	-85	-88.9	0	0	0	111.4	F441 G442 V447 Y448 W449	F441-N445 VanDerWaalsContact CE1-ND2 3.28Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.33Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.49Å; F441-N445 WeakPolarHBondContact CZ-ND2 3.37Å; F441-N445 PolarHBondContact O-N 3.23Å; F441-N445 PolarHBondContact O-ND2 3.46Å; G442-N445 PolarHBondContact O-N 3.49Å; N445-V447 PolarHBondContact O-N 3.45Å; N445-Y448 PolarHBondContact O-N 2.93Å; N445-W449 WeakPolarHBondContact O-CB 3.3Å; N445-W449 PolarHBondContact O-N 2.94Å
446	L	96	Very high	92.4	Very high	110 Å²	110	70.6 Å²	70.6	58%	0.576	39%	0.39	S	S	*	.	H	α-helix	trans	-59.1	-48	178.7	-175.7	141.9	0	0	0	111.3	G442 A443 F444 I450	G442-L446 WeakPolarHBondContact O-CB 3.49Å; G442-L446 PolarHBondContact O-N 2.92Å; A443-L446 PolarHBondContact O-N 3.38Å; F444-L446 VanDerWaalsContact C-N 3.33Å; F444-L446 PolarHBondContact O-N 2.9Å; L446-I450 HydrophobicContact CD2-CD1 3.56Å; L446-I450 HydrophobicContact CG-CD1 3.88Å; L446-I450 WeakPolarHBondContact O-CB 3.47Å; L446-I450 WeakPolarHBondContact O-CD1 3.31Å; L446-I450 WeakPolarHBondContact O-CG1 3.32Å; L446-I450 PolarHBondContact O-N 3.33Å; L446-I450 VanDerWaalsContact O-N 3.09Å
447	V	96.1	Very high	91.3	Very high	87 Å²	87	65.7 Å²	65.7	53%	0.527	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-46.6	177.3	173.5	0	0	0	0	111.2	A443 F444 N445 I450 V451	A443-V447 WeakPolarHBondContact O-CG2 3.43Å; A443-V447 PolarHBondContact O-N 2.93Å; F444-V447 PolarHBondContact O-N 3.37Å; N445-V447 PolarHBondContact O-N 3.45Å; V447-I450 PolarHBondContact O-N 2.93Å; V447-V451 HydrophobicContact CG1-CG2 4.22Å; V447-V451 WeakPolarHBondContact O-CB 3.34Å; V447-V451 VanDerWaalsContact O-CG2 3.25Å; V447-V451 WeakPolarHBondContact O-CG2 3.44Å; V447-V451 PolarHBondContact O-N 2.99Å
448	Y	95.2	Very high	90.4	Very high	11 Å²	11	67.6 Å²	67.6	4%	0.043	38%	0.376	C	S	.	.	H	α-helix	trans	-57.3	-53.5	-179.1	178.5	-93.3	0	0	0	111.7	M172 Y255 A309 F313 F444 N445 V451 Y452	M172-Y448 HydrophobicContact CE-CE1 4.06Å; Y255-Y448 AromaticContact CE1-CE1 3.66Å; Y255-Y448 HydrophobicContact CE1-CE1 3.66Å; Y255-Y448 AromaticContact CE1-CZ 3.95Å; Y255-Y448 PolarHBondContact OH-OH 2.92Å; A309-Y448 PolarHBondContact O-OH 3.44Å; F313-Y448 HydrophobicContact CB-CD2 4.49Å; F313-Y448 HydrophobicContact CB-CE1 4.41Å; F313-Y448 HydrophobicContact CB-CE2 3.82Å; F313-Y448 AromaticContact CD2-CD1 3.73Å; F313-Y448 HydrophobicContact CD2-CD1 3.73Å; F313-Y448 HydrophobicContact CD2-CD2 4.1Å; F313-Y448 AromaticContact CD2-CE1 3.73Å; F313-Y448 HydrophobicContact CD2-CE1 3.73Å; F313-Y448 HydrophobicContact CD2-CE2 4.09Å; F313-Y448 AromaticContact CD2-CG 3.93Å; F313-Y448 HydrophobicContact CD2-CG 3.93Å; F313-Y448 AromaticContact CD2-CZ 3.92Å; F313-Y448 HydrophobicContact CE2-CD1 4.19Å; F313-Y448 HydrophobicContact CE2-CE1 4.42Å; F313-Y448 HydrophobicContact CG-CE1 4.34Å; F313-Y448 HydrophobicContact CG-CE2 4.44Å; F444-Y448 HydrophobicContact CE2-CD2 4.48Å; F444-Y448 HydrophobicContact CZ-CD2 4.19Å; F444-Y448 HydrophobicContact CZ-CG 4.4Å; F444-Y448 VanDerWaalsContact O-CB 3.26Å; F444-Y448 WeakPolarHBondContact O-CB 3.32Å; F444-Y448 PolarHBondContact O-N 3.47Å; N445-Y448 PolarHBondContact O-N 2.93Å; Y448-V451 PolarHBondContact O-N 3.16Å; Y448-Y452 AromaticContact CD2-CD2 3.71Å; Y448-Y452 HydrophobicContact CD2-CD2 3.71Å; Y448-Y452 AromaticContact CD2-CE2 3.67Å; Y448-Y452 HydrophobicContact CD2-CE2 3.67Å; Y448-Y452 HydrophobicContact CE1-CD2 4.36Å; Y448-Y452 AromaticContact CE2-CD2 3.51Å; Y448-Y452 HydrophobicContact CE2-CD2 3.51Å; Y448-Y452 AromaticContact CE2-CE2 3.4Å; Y448-Y452 HydrophobicContact CE2-CE2 3.4Å; Y448-Y452 HydrophobicContact CG-CD2 4.21Å; Y448-Y452 AromaticContact CZ-CD2 3.86Å; Y448-Y452 WeakPolarHBondContact O-CD2 3.4Å; Y448-Y452 PolarHBondContact O-N 3.43Å; Y448-Y452 VanDerWaalsContact O-N 3.1Å
449	W	94.4	Very high	88.9	Confident	53 Å²	53	67.4 Å²	67.4	20%	0.201	37%	0.37	C	S	.	.	H	α-helix	trans	-67.3	-39.5	-177.2	-71.2	114.7	0	0	0	112.1	M172 M247 L251 Y255 N445 L453	M172-W449 HydrophobicContact SD-CE3 4.36Å; M172-W449 HydrophobicContact SD-CZ3 4.09Å; M247-W449 HydrophobicContact CE-CH2 4.49Å; M247-W449 HydrophobicContact CE-CZ3 4.13Å; L251-W449 HydrophobicContact CD2-CH2 3.43Å; L251-W449 VanDerWaalsContact CD2-CH2 3.43Å; L251-W449 HydrophobicContact CD2-CZ2 4.01Å; L251-W449 HydrophobicContact CD2-CZ3 4.2Å; Y255-W449 AromaticContact CD1-CH2 3.78Å; Y255-W449 HydrophobicContact CD1-CH2 3.78Å; Y255-W449 AromaticContact CD1-CZ2 3.59Å; Y255-W449 HydrophobicContact CD1-CZ2 3.59Å; Y255-W449 HydrophobicContact CD2-CH2 4.07Å; Y255-W449 AromaticContact CE1-CH2 3.86Å; Y255-W449 HydrophobicContact CE1-CH2 3.86Å; Y255-W449 AromaticContact CE1-CZ2 3.97Å; Y255-W449 HydrophobicContact CE1-CZ2 3.97Å; Y255-W449 HydrophobicContact CE2-CH2 4.15Å; Y255-W449 AromaticContact CG-CH2 3.9Å; Y255-W449 HydrophobicContact CG-CH2 3.9Å; Y255-W449 AromaticContact CG-CZ2 3.93Å; Y255-W449 HydrophobicContact CG-CZ2 3.93Å; N445-W449 WeakPolarHBondContact O-CB 3.3Å; N445-W449 PolarHBondContact O-N 2.94Å; W449-L453 HydrophobicContact CB-CD1 4.25Å; W449-L453 HydrophobicContact CE3-CD1 3.95Å; W449-L453 HydrophobicContact CE3-CD2 4.48Å; W449-L453 HydrophobicContact CE3-CG 4.13Å; W449-L453 WeakPolarHBondContact O-CB 3.42Å; W449-L453 VanDerWaalsContact O-CG 3.23Å; W449-L453 WeakPolarHBondContact O-CG 3.48Å; W449-L453 PolarHBondContact O-N 3.37Å
450	I	93.6	Very high	87	Confident	92 Å²	92	69.3 Å²	69.3	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-50.3	176.2	-70.8	171.1	0	0	0	110.3	L446 V447 Y452 T454	L446-I450 HydrophobicContact CD2-CD1 3.56Å; L446-I450 HydrophobicContact CG-CD1 3.88Å; L446-I450 WeakPolarHBondContact O-CB 3.47Å; L446-I450 WeakPolarHBondContact O-CD1 3.31Å; L446-I450 WeakPolarHBondContact O-CG1 3.32Å; L446-I450 PolarHBondContact O-N 3.33Å; L446-I450 VanDerWaalsContact O-N 3.09Å; V447-I450 PolarHBondContact O-N 2.93Å; I450-Y452 PolarHBondContact O-N 2.92Å; I450-T454 HydrophobicContact CG2-CG2 4.31Å; I450-T454 VanDerWaalsContact O-CB 3.32Å; I450-T454 WeakPolarHBondContact O-CB 3.37Å; I450-T454 VanDerWaalsContact O-CG2 3.26Å; I450-T454 WeakPolarHBondContact O-CG2 3.35Å; I450-T454 PolarHBondContact O-N 2.91Å; I450-T454 VanDerWaalsContact O-N 3.08Å; I450-T454 PolarHBondContact O-OG1 3.38Å
451	V	92	Very high	84.9	Confident	76 Å²	76	69 Å²	69	46%	0.461	38%	0.375	S	S	.	.	H	α-helix	trans	-61.8	-43.8	-175.9	169.4	0	0	0	0	111.7	V447 Y448 K455	V447-V451 HydrophobicContact CG1-CG2 4.22Å; V447-V451 WeakPolarHBondContact O-CB 3.34Å; V447-V451 VanDerWaalsContact O-CG2 3.25Å; V447-V451 WeakPolarHBondContact O-CG2 3.44Å; V447-V451 PolarHBondContact O-N 2.99Å; Y448-V451 PolarHBondContact O-N 3.16Å; V451-K455 WeakPolarHBondContact O-CB 3.45Å
452	Y	89.5	Confident	82.6	Confident	43 Å²	43	78 Å²	78	17%	0.169	41%	0.409	C	S	.	.	H	α-helix	trans	-87	-23.5	-175	-73.1	-73.4	0	0	0	114.7	M172 A309 Y448 I450	M172-Y452 HydrophobicContact CE-CD1 4.38Å; M172-Y452 HydrophobicContact CE-CD2 4.36Å; M172-Y452 HydrophobicContact CE-CG 3.82Å; M172-Y452 WeakPolarHBondContact SD-CB 3.34Å; A309-Y452 HydrophobicContact CB-CD1 3.77Å; A309-Y452 HydrophobicContact CB-CD2 4.34Å; A309-Y452 HydrophobicContact CB-CE1 3.32Å; A309-Y452 HydrophobicContact CB-CE2 3.96Å; A309-Y452 HydrophobicContact CB-CG 4.27Å; A309-Y452 VanDerWaalsContact CB-CZ 3.42Å; Y448-Y452 AromaticContact CD2-CD2 3.71Å; Y448-Y452 HydrophobicContact CD2-CD2 3.71Å; Y448-Y452 AromaticContact CD2-CE2 3.67Å; Y448-Y452 HydrophobicContact CD2-CE2 3.67Å; Y448-Y452 HydrophobicContact CE1-CD2 4.36Å; Y448-Y452 AromaticContact CE2-CD2 3.51Å; Y448-Y452 HydrophobicContact CE2-CD2 3.51Å; Y448-Y452 AromaticContact CE2-CE2 3.4Å; Y448-Y452 HydrophobicContact CE2-CE2 3.4Å; Y448-Y452 HydrophobicContact CG-CD2 4.21Å; Y448-Y452 AromaticContact CZ-CD2 3.86Å; Y448-Y452 WeakPolarHBondContact O-CD2 3.4Å; Y448-Y452 PolarHBondContact O-N 3.43Å; Y448-Y452 VanDerWaalsContact O-N 3.1Å; I450-Y452 PolarHBondContact O-N 2.92Å
453	L	87.8	Confident	80.2	Confident	111 Å²	111	80 Å²	80	58%	0.581	41%	0.41	S	S	*	.	H	α-helix	trans	-86.8	-24.8	175.8	-65.1	173.7	0	0	0	113.6	M172 W449	M172-L453 HydrophobicContact CG-CD2 4.44Å; M172-L453 HydrophobicContact SD-CD2 3.87Å; M172-L453 HydrophobicContact SD-CG 4.31Å; W449-L453 HydrophobicContact CB-CD1 4.25Å; W449-L453 HydrophobicContact CE3-CD1 3.95Å; W449-L453 HydrophobicContact CE3-CD2 4.48Å; W449-L453 HydrophobicContact CE3-CG 4.13Å; W449-L453 WeakPolarHBondContact O-CB 3.42Å; W449-L453 VanDerWaalsContact O-CG 3.23Å; W449-L453 WeakPolarHBondContact O-CG 3.48Å; W449-L453 PolarHBondContact O-N 3.37Å
454	T	84.9	Confident	77.4	Confident	105 Å²	105	82 Å²	82	64%	0.644	42%	0.417	S	S	*	.	H	α-helix	trans	-87.8	-13.2	178.9	58.8	0	0	0	0	113.6	I450	I450-T454 HydrophobicContact CG2-CG2 4.31Å; I450-T454 VanDerWaalsContact O-CB 3.32Å; I450-T454 WeakPolarHBondContact O-CB 3.37Å; I450-T454 VanDerWaalsContact O-CG2 3.26Å; I450-T454 WeakPolarHBondContact O-CG2 3.35Å; I450-T454 PolarHBondContact O-N 2.91Å; I450-T454 VanDerWaalsContact O-N 3.08Å; I450-T454 PolarHBondContact O-OG1 3.38Å
455	K	79.3	Confident	74.2	Confident	104 Å²	104	89.3 Å²	89.3	45%	0.452	47%	0.465	S	S	.	.	S	Bend	trans	-78	126.9	179.9	-173.2	177	-178.9	-176.1	0	109.6	N169 V451 T457	N169-K455 PolarHBondContact OD1-NZ 2.91Å; V451-K455 WeakPolarHBondContact O-CB 3.45Å; K455-T457 HydrophobicContact CB-CG2 4.34Å; K455-T457 HydrophobicContact CG-CG2 4.4Å; K455-T457 VanDerWaalsContact O-CG2 3.24Å; K455-T457 WeakPolarHBondContact O-CG2 3.42Å; K455-T457 PolarHBondContact O-N 3.36Å
456	D	71.8	Confident	73.1	Confident	159 Å²	159	92.8 Å²	92.8	85%	0.85	48%	0.482	S	S	*	.			trans	-63.6	108.4	165.3	-73.4	-34.2	0	0	0	108.4
457	T	71.1	Confident	71.9	Confident	14 Å²	14	91.8 Å²	91.8	9%	0.086	48%	0.478	C	S	.	.			trans	-96.2	0	-173.7	59.5	0	0	0	0	113.7	N169 M172 G174 Q244 K455 E459	N169-T457 HydrophobicContact CB-CG2 4.18Å; M172-T457 WeakPolarHBondContact O-CB 3.48Å; M172-T457 WeakPolarHBondContact O-CG2 3.35Å; M172-T457 PolarHBondContact O-OG1 2.88Å; G174-T457 PolarHBondContact N-O 2.97Å; Q244-T457 PolarHBondContact NE2-OG1 3.3Å; K455-T457 HydrophobicContact CB-CG2 4.34Å; K455-T457 HydrophobicContact CG-CG2 4.4Å; K455-T457 VanDerWaalsContact O-CG2 3.24Å; K455-T457 WeakPolarHBondContact O-CG2 3.42Å; K455-T457 PolarHBondContact O-N 3.36Å; T457-E459 PolarHBondContact O-N 3.42Å; T457-E459 VanDerWaalsContact O-N 3.12Å
458	M	74.3	Confident	70.5	Confident	65 Å²	65	92.1 Å²	92.1	32%	0.32	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-63.1	111.3	174.6	-161.2	80.2	-121.2	0	0	109.5	H175 A176 H242 M460	H175-M458 WeakPolarHBondContact O-CE 3.31Å; A176-M458 HydrophobicContact CB-CE 4.34Å; H242-M458 HydrophobicContact CB-CE 3.7Å; H242-M458 HydrophobicContact CB-SD 3.85Å; M458-M460 PolarHBondContact O-N 3.49Å
459	E	64.6	Low	69.1	Low	51 Å²	51	96.9 Å²	96.9	24%	0.238	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-64	120.3	175.3	-67.4	-169	128.6	0	0	110.2	R166 G174 H175 A176 T457	R166-E459 WeakPolarHBondContact CB-OE1 3.36Å; R166-E459 VanDerWaalsContact CD-OE1 3.32Å; R166-E459 WeakPolarHBondContact CD-OE1 3.35Å; R166-E459 WeakPolarHBondContact CG-OE1 3.45Å; R166-E459 PolarHBondContact N-OE2 3.38Å; G174-E459 WeakPolarHBondContact O-CG 3.4Å; G174-E459 PolarHBondContact O-N 3.02Å; H175-E459 IonicContact CE1-OE2 3.5Å; H175-E459 IonicContact ND1-OE2 3.69Å; H175-E459 PolarHBondContact ND1-OE2 2.97Å; A176-E459 WeakPolarHBondContact CB-O 3.46Å; T457-E459 PolarHBondContact O-N 3.42Å; T457-E459 VanDerWaalsContact O-N 3.12Å
460	M	55.8	Low	67.5	Low	159 Å²	159	99.6 Å²	99.6	78%	0.783	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-68.8	132	171.9	-164.3	169.1	69.1	0	0	108.8	M458 R462	M458-M460 PolarHBondContact O-N 3.49Å; M460-R462 PolarHBondContact O-N 2.97Å
461	S	52.5	Low	65.7	Low	37 Å²	37	100.1 Å²	100.1	26%	0.259	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-52.6	126.4	-178.7	45.8	0	0	0	0	110.8	D463 T464	S461-D463 PolarHBondContact O-N 3.27Å; S461-T464 PolarHBondContact O-N 3.47Å; S461-T464 PolarHBondContact O-OG1 3.35Å; S461-T464 PolarHBondContact OG-OG1 3.19Å
462	R	48.4	Very low	63.8	Low	203 Å²	203	101.9 Å²	101.9	77%	0.766	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-63.9	-11.9	-176.3	-162.1	-179.5	-93.3	167.3	-6.4	113.1	M460 T464	M460-R462 PolarHBondContact O-N 2.97Å; R462-T464 VanDerWaalsContact C-N 3.27Å; R462-T464 PolarHBondContact O-N 3.35Å
463	D	46.9	Very low	61.9	Low	82 Å²	82	106.4 Å²	106.4	44%	0.439	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-85	10.2	-179.2	-57.5	-36.4	0	0	0	113.9	K180 S461	K180-D463 IonicContact NZ-OD1 3.76Å; K180-D463 IonicContact NZ-OD2 3.58Å; K180-D463 PolarHBondContact NZ-OD2 3.37Å; S461-D463 PolarHBondContact O-N 3.27Å
464	T	37.8	Very low	59.7	Low	95 Å²	95	106 Å²	106	58%	0.583	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-101.6	16.3	179.8	-12	0	0	0	0	114.2	S461 R462	S461-T464 PolarHBondContact O-N 3.47Å; S461-T464 PolarHBondContact O-OG1 3.35Å; S461-T464 PolarHBondContact OG-OG1 3.19Å; R462-T464 VanDerWaalsContact C-N 3.27Å; R462-T464 PolarHBondContact O-N 3.35Å
465	V	29.5	Very low	57.4	Low	198 Å²	198	106.1 Å²	106.1	100%	1.2	54%	0.543	S	S	*	.			trans	-122.4	0	177	-177.9	0	0	0	0	111.4

Retrieved 465 of 465 residues in 1192.5 ms (Link to these results)

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