A0A3Q0KK01_SCHMA Loading...

Lysine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KK01, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 634 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	34.5	Very low	240 Å²	240	142.2 Å²	142.2	100%	1.182	85%	0.851	S	S	*	*				0	121.3	0	-76.8	-176.5	167.7	0	0	108.2
2	S	34.9	Very low	34.3	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	84%	0.841	S	S	*	*			trans	47.8	103.4	169.3	59.7	0	0	0	0	119.1
3	S	31.9	Very low	33.9	Very low	104 Å²	104	140.3 Å²	140.3	73%	0.727	84%	0.836	S	S	*	*				56.8	122.2	72.5	77.2	0	0	0	0	112.8
4	T	38.5	Very low	33.7	Very low	118 Å²	118	142.9 Å²	142.9	72%	0.724	84%	0.835	S	S	*	*				-174.7	128.1	62.7	37.8	0	0	0	0	110
5	H	36.5	Very low	33.5	Very low	201 Å²	201	148.9 Å²	148.9	93%	0.931	84%	0.838	S	S	*	*				77	134.1	102.8	-78.5	2.4	0	0	0	119.3
6	G	36.8	Very low	33.3	Very low	71 Å²	71	148.8 Å²	148.8	73%	0.732	84%	0.835	S	S	*	*			trans	142	77.1	169.4	0	0	0	0	0	111.4
7	E	32.2	Very low	33.2	Very low	193 Å²	193	149.9 Å²	149.9	90%	0.902	83%	0.832	S	S	*	*				82.3	136.9	95.3	-86	-170	166	0	0	116.1
8	S	32.6	Very low	33.1	Very low	133 Å²	133	149.3 Å²	149.3	93%	0.93	83%	0.825	S	S	*	*			trans	98.3	123.4	161.4	75.8	0	0	0	0	118.9
9	G	33.1	Very low	33	Very low	76 Å²	76	150.5 Å²	150.5	78%	0.784	82%	0.824	S	S	*	*			trans	134.1	54.1	164.9	0	0	0	0	0	116.3	L11	G9-L11 PolarHBondContact O-N 2.98Å
10	N	28.8	Very low	32.8	Very low	145 Å²	145	151.7 Å²	151.7	78%	0.775	82%	0.823	S	S	*	*			trans	-70.9	99.7	173.7	-157	11.1	0	0	0	109.8
11	L	34.5	Very low	32.8	Very low	175 Å²	175	153.2 Å²	153.2	92%	0.916	82%	0.822	S	S	*	*			trans	-101.2	87.9	166.8	-92.5	156.2	0	0	0	108.1	G9 S13	G9-L11 PolarHBondContact O-N 2.98Å; L11-S13 PolarHBondContact O-N 3.2Å
12	M	31.9	Very low	32.3	Very low	150 Å²	150	151.6 Å²	151.6	74%	0.739	81%	0.808	S	S	*	*			trans	-55.1	123.4	172.5	-94.3	170.5	154.7	0	0	110.7	Q14	M12-Q14 PolarHBondContact O-N 3.08Å
13	S	28.5	Very low	32.4	Very low	110 Å²	110	153.4 Å²	153.4	77%	0.769	81%	0.809	S	S	*	*			trans	-52.4	99.3	157.2	55.9	0	0	0	0	110.5	L11 R15	L11-S13 PolarHBondContact O-N 3.2Å; S13-R15 PolarHBondContact O-N 3.32Å
14	Q	31.3	Very low	32.8	Very low	176 Å²	176	155.8 Å²	155.8	82%	0.822	81%	0.814	S	S	*	*			trans	-83.2	92.9	161.5	-76.5	-173.8	4.5	0	0	108	M12 N16	M12-Q14 PolarHBondContact O-N 3.08Å; Q14-N16 PolarHBondContact O-N 2.69Å; Q14-N16 VanDerWaalsContact O-N 3.17Å
15	R	30.6	Very low	33.1	Very low	233 Å²	233	155.9 Å²	155.9	88%	0.879	81%	0.809	S	S	*	*			trans	-58.2	111.8	156.9	-82.6	176.4	169.9	157.7	-3	106.8	S13 E17	S13-R15 PolarHBondContact O-N 3.32Å; R15-E17 VanDerWaalsContact C-N 3.32Å; R15-E17 PolarHBondContact O-N 2.59Å
16	N	31	Very low	33.9	Very low	148 Å²	148	149.3 Å²	149.3	79%	0.791	78%	0.783	S	S	*	*			trans	-62.5	95.8	164.4	-86.8	-21.8	0	0	0	108	Q14 I18	Q14-N16 PolarHBondContact O-N 2.69Å; Q14-N16 VanDerWaalsContact O-N 3.17Å; N16-I18 PolarHBondContact O-N 3.15Å; N16-I18 VanDerWaalsContact O-N 3.11Å
17	E	30.8	Very low	34.8	Very low	168 Å²	168	154.8 Å²	154.8	79%	0.785	79%	0.786	S	S	*	*			trans	-66.2	104.2	161.3	-78.6	-175.4	163.7	0	0	107.8	R15 H19	R15-E17 VanDerWaalsContact C-N 3.32Å; R15-E17 PolarHBondContact O-N 2.59Å; E17-H19 PolarHBondContact O-N 3.48Å
18	I	32	Very low	35.9	Very low	138 Å²	138	147.6 Å²	147.6	71%	0.708	75%	0.753	S	S	*	*			trans	-66.8	96	171.2	-61.2	170.3	0	0	0	106.9	N16 H20	N16-I18 PolarHBondContact O-N 3.15Å; N16-I18 VanDerWaalsContact O-N 3.11Å; I18-H20 PolarHBondContact O-N 3.48Å
19	H	31.5	Very low	37.2	Very low	172 Å²	172	144 Å²	144	80%	0.796	72%	0.724	S	S	*	*			trans	-67.3	98.5	164.5	-94.6	-48.8	0	0	0	108.7	E17 K21	E17-H19 PolarHBondContact O-N 3.48Å; H19-K21 PolarHBondContact O-N 2.85Å
20	H	29.7	Very low	38.6	Very low	175 Å²	175	146.8 Å²	146.8	81%	0.81	72%	0.72	S	S	*	*			trans	-57.6	96.5	164	-84.8	-65.6	0	0	0	109.6	I18 K22	I18-H20 PolarHBondContact O-N 3.48Å; H20-K22 PolarHBondContact O-N 3.21Å
21	K	32.2	Very low	40.8	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.796	70%	0.696	S	S	*	*			trans	-67	119.6	156.5	-97.8	178.6	174.6	173.8	0	106.5	H19 D23	H19-K21 PolarHBondContact O-N 2.85Å; K21-D23 PolarHBondContact O-N 3.46Å
22	K	29.1	Very low	43.4	Very low	207 Å²	207	138 Å²	138	90%	0.9	68%	0.675	S	S	*	*			trans	-51.6	113.8	169.6	-80.3	178.9	172.4	178.8	0	108.8	H20 N24	H20-K22 PolarHBondContact O-N 3.21Å; K22-N24 PolarHBondContact O-N 2.9Å
23	D	37.7	Very low	46.1	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	66%	0.662	S	S	*	*			trans	-62.8	126.2	173.3	-70.4	-44	0	0	0	109.3	K21 I25	K21-D23 PolarHBondContact O-N 3.46Å; D23-I25 VanDerWaalsContact C-N 3.3Å; D23-I25 PolarHBondContact O-N 3.39Å
24	N	39.6	Very low	49	Very low	154 Å²	154	132.8 Å²	132.8	82%	0.824	65%	0.653	S	S	*	*			trans	-71.2	90.8	168.7	-89.2	-18.6	0	0	0	107.6	K22 T26	K22-N24 PolarHBondContact O-N 2.9Å; N24-T26 PolarHBondContact O-N 3.23Å; N24-T26 VanDerWaalsContact O-N 3.11Å
25	I	44	Very low	52	Low	120 Å²	120	126.8 Å²	126.8	62%	0.615	63%	0.63	S	S	*	*			trans	-54.6	114.2	169.8	-58.9	174.9	0	0	0	107.6	D23 D29 L30	D23-I25 VanDerWaalsContact C-N 3.3Å; D23-I25 PolarHBondContact O-N 3.39Å; I25-D29 HydrophobicContact CG2-CB 3.85Å; I25-L30 HydrophobicContact CG2-CD2 3.96Å; I25-L30 HydrophobicContact CG2-CG 3.97Å
26	T	54.8	Low	54.9	Low	64 Å²	64	115.8 Å²	115.8	39%	0.393	59%	0.589	S	S	.	*			trans	-78	156.3	175	64.1	0	0	0	0	109.4	N24 E28 D29	N24-T26 PolarHBondContact O-N 3.23Å; N24-T26 VanDerWaalsContact O-N 3.11Å; T26-E28 PolarHBondContact O-N 3.49Å; T26-D29 PolarHBondContact N-OD2 3.38Å; T26-D29 WeakPolarHBondContact O-CB 3.47Å; T26-D29 PolarHBondContact O-N 3.33Å; T26-D29 PolarHBondContact OG1-OD2 3.09Å
27	K	54.2	Low	58	Low	185 Å²	185	110.9 Å²	110.9	80%	0.804	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-55.5	-26.9	175	-80.3	-174	177.1	-178.6	0	112.5	D29 L30	K27-D29 VanDerWaalsContact C-N 3.31Å; K27-L30 PolarHBondContact O-N 3.01Å
28	E	56.6	Low	61	Low	42 Å²	42	108.3 Å²	108.3	20%	0.196	55%	0.549	C	S	.	.	G	3₁₀ helix	trans	-67	-32.2	176.8	-60.6	-178.6	-139.7	0	0	112	T26 L30 V31 Y36 H137 Q172	T26-E28 PolarHBondContact O-N 3.49Å; E28-L30 PolarHBondContact O-N 2.69Å; E28-V31 PolarHBondContact O-N 3.4Å; E28-Y36 HydrophobicContact CB-CE2 4.02Å; E28-Y36 HydrophobicContact CG-CE2 4.03Å; E28-Y36 WeakPolarHBondContact OE2-CE2 3.24Å; E28-Y36 PolarHBondContact OE2-OH 3.35Å; E28-H137 IonicContact OE1-CE1 2.74Å; E28-H137 IonicContact OE1-CG 2.87Å; E28-H137 IonicContact OE1-ND1 3.95Å; E28-H137 PolarHBondContact OE1-ND1 3.12Å; E28-H137 IonicContact OE2-CE1 3.65Å; E28-H137 IonicContact OE2-CG 3.29Å; E28-H137 IonicContact OE2-ND1 4Å; E28-H137 PolarHBondContact OE2-ND1 2.78Å; E28-Q172 PolarHBondContact O-NE2 3.18Å
29	D	58.6	Low	64	Low	59 Å²	59	105.7 Å²	105.7	32%	0.316	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-73	-13.1	179.1	-57.5	-42.3	0	0	0	112.9	I25 T26 K27 H175	I25-D29 HydrophobicContact CG2-CB 3.85Å; T26-D29 PolarHBondContact N-OD2 3.38Å; T26-D29 WeakPolarHBondContact O-CB 3.47Å; T26-D29 PolarHBondContact O-N 3.33Å; T26-D29 PolarHBondContact OG1-OD2 3.09Å; K27-D29 VanDerWaalsContact C-N 3.31Å; D29-H175 IonicContact OD1-CE1 2.81Å
30	L	63.6	Low	67	Low	134 Å²	134	97.8 Å²	97.8	70%	0.702	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-93.9	-10.7	-179.1	-65.6	171.7	0	0	0	113.5	I25 K27 E28	I25-L30 HydrophobicContact CG2-CD2 3.96Å; I25-L30 HydrophobicContact CG2-CG 3.97Å; K27-L30 PolarHBondContact O-N 3.01Å; E28-L30 PolarHBondContact O-N 2.69Å
31	V	75.7	Confident	70.2	Confident	46 Å²	46	95.4 Å²	95.4	28%	0.279	49%	0.486	S	S	.	.	S	Bend	trans	-96.9	135.8	-179.6	-175.2	0	0	0	0	108.3	E28 S35 Q172	E28-V31 PolarHBondContact O-N 3.4Å; V31-S35 VanDerWaalsContact CG1-CB 3.42Å; V31-Q172 PolarHBondContact O-OE1 3.36Å
32	D	87.1	Confident	73.1	Confident	88 Å²	88	91.4 Å²	91.4	47%	0.471	47%	0.473	S	S	.	.			trans	-65.7	154.3	174	73.8	88.4	0	0	0	111.1	T34 S35 Y36	D32-T34 PolarHBondContact O-N 2.95Å; D32-T34 VanDerWaalsContact O-N 3.12Å; D32-T34 VanDerWaalsContact OD1-CB 3.31Å; D32-T34 WeakPolarHBondContact OD1-CB 3.42Å; D32-T34 PolarHBondContact OD1-N 3.01Å; D32-S35 PolarHBondContact O-N 2.92Å; D32-S35 PolarHBondContact OD1-N 2.97Å; D32-S35 PolarHBondContact OD1-OG 3.06Å; D32-S35 WeakPolarHBondContact OD2-CB 2.85Å; D32-S35 PolarHBondContact OD2-OG 3.15Å; D32-Y36 PolarHBondContact O-N 3.05Å
33	A	88.7	Confident	76.2	Confident	58 Å²	58	83.2 Å²	83.2	48%	0.479	44%	0.444	S	S	.	.	H	α-helix	trans	-59.2	-30.3	-172.3	0	0	0	0	0	114	H37	A33-H37 WeakPolarHBondContact O-CB 3.4Å; A33-H37 PolarHBondContact O-N 3.36Å; A33-H37 VanDerWaalsContact O-N 3.08Å
34	T	90.7	Very high	79	Confident	94 Å²	94	76.5 Å²	76.5	58%	0.577	41%	0.408	S	S	*	.	H	α-helix	trans	-73.2	-49.2	178.9	-50.8	0	0	0	0	110	D32 Y36 H37 E38	D32-T34 PolarHBondContact O-N 2.95Å; D32-T34 VanDerWaalsContact O-N 3.12Å; D32-T34 VanDerWaalsContact OD1-CB 3.31Å; D32-T34 WeakPolarHBondContact OD1-CB 3.42Å; D32-T34 PolarHBondContact OD1-N 3.01Å; T34-Y36 VanDerWaalsContact C-N 3.29Å; T34-Y36 PolarHBondContact O-N 3.22Å; T34-H37 WeakPolarHBondContact O-CB 3.18Å; T34-H37 PolarHBondContact O-N 3.03Å; T34-H37 VanDerWaalsContact O-N 3.11Å; T34-E38 PolarHBondContact O-N 3.1Å
35	S	92.8	Very high	81.5	Confident	49 Å²	49	72.1 Å²	72.1	34%	0.343	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-38	175.6	-63.2	0	0	0	0	111.9	V31 D32 H37 E38 M39	V31-S35 VanDerWaalsContact CG1-CB 3.42Å; D32-S35 PolarHBondContact O-N 2.92Å; D32-S35 PolarHBondContact OD1-N 2.97Å; D32-S35 PolarHBondContact OD1-OG 3.06Å; D32-S35 WeakPolarHBondContact OD2-CB 2.85Å; D32-S35 PolarHBondContact OD2-OG 3.15Å; S35-H37 VanDerWaalsContact C-N 3.34Å; S35-H37 PolarHBondContact O-N 3.09Å; S35-E38 PolarHBondContact O-N 2.74Å; S35-M39 VanDerWaalsContact O-CB 3.22Å; S35-M39 WeakPolarHBondContact O-CB 3.46Å; S35-M39 PolarHBondContact O-N 3.08Å
36	Y	93.5	Very high	83.9	Confident	3 Å²	3	72.8 Å²	72.8	1%	0.012	39%	0.39	C	S	.	.	H	α-helix	trans	-61.2	-44.4	173.8	-176.1	-90.1	0	0	0	111.2	E28 D32 T34 M39 R40 H137 Q172	E28-Y36 HydrophobicContact CB-CE2 4.02Å; E28-Y36 HydrophobicContact CG-CE2 4.03Å; E28-Y36 WeakPolarHBondContact OE2-CE2 3.24Å; E28-Y36 PolarHBondContact OE2-OH 3.35Å; D32-Y36 PolarHBondContact O-N 3.05Å; T34-Y36 VanDerWaalsContact C-N 3.29Å; T34-Y36 PolarHBondContact O-N 3.22Å; Y36-M39 HydrophobicContact CD2-CE 3.84Å; Y36-M39 HydrophobicContact CE2-CE 4.22Å; Y36-M39 PolarHBondContact O-N 3Å; Y36-R40 HydrophobicContact CD1-CG 3.81Å; Y36-R40 HydrophobicContact CD2-CG 4.5Å; Y36-R40 HydrophobicContact CE1-CG 3.42Å; Y36-R40 VanDerWaalsContact CE1-CG 3.42Å; Y36-R40 HydrophobicContact CE2-CG 4.16Å; Y36-R40 HydrophobicContact CG-CG 4.35Å; Y36-R40 WeakPolarHBondContact O-CB 3.36Å; Y36-R40 WeakPolarHBondContact O-CG 3.18Å; Y36-R40 PolarHBondContact O-N 3.09Å; Y36-H137 PolarHBondContact OH-ND1 3.16Å; Y36-Q172 HydrophobicContact CD1-CB 3.79Å; Y36-Q172 VanDerWaalsContact CD1-N 3.34Å; Y36-Q172 HydrophobicContact CE1-CB 4.2Å; Y36-Q172 HydrophobicContact CG-CB 4Å
37	H	94.7	Very high	85.7	Confident	44 Å²	44	71 Å²	71	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-61.2	-47	178.9	-176.4	64.4	0	0	0	112.3	A33 T34 S35 K41 L170 Y171	A33-H37 WeakPolarHBondContact O-CB 3.4Å; A33-H37 PolarHBondContact O-N 3.36Å; A33-H37 VanDerWaalsContact O-N 3.08Å; T34-H37 WeakPolarHBondContact O-CB 3.18Å; T34-H37 PolarHBondContact O-N 3.03Å; T34-H37 VanDerWaalsContact O-N 3.11Å; S35-H37 VanDerWaalsContact C-N 3.34Å; S35-H37 PolarHBondContact O-N 3.09Å; H37-K41 WeakPolarHBondContact O-CB 3.38Å; H37-K41 PolarHBondContact O-N 2.82Å; H37-L170 VanDerWaalsContact CA-O 3.31Å; H37-L170 WeakPolarHBondContact CA-O 3.46Å; H37-L170 PolarHBondContact ND1-O 3.44Å; H37-Y171 AromaticContact CE1-CE1 3.63Å; H37-Y171 AromaticContact CE1-CZ 3.52Å; H37-Y171 AromaticContact CG-CE1 3.95Å; H37-Y171 AromaticContact ND1-CD1 3.68Å; H37-Y171 AromaticContact ND1-CE1 3.46Å; H37-Y171 WeakPolarHBondContact ND1-CE1 3.36Å; H37-Y171 AromaticContact ND1-CZ 3.78Å
38	E	94.9	Very high	87.5	Confident	115 Å²	115	68 Å²	68	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-45.8	176.9	-68.6	-175.3	168.2	0	0	112	T34 S35 R40 K41 N42	T34-E38 PolarHBondContact O-N 3.1Å; S35-E38 PolarHBondContact O-N 2.74Å; E38-R40 PolarHBondContact O-N 2.82Å; E38-K41 PolarHBondContact O-N 2.98Å; E38-N42 WeakPolarHBondContact O-CB 3.43Å; E38-N42 VanDerWaalsContact O-CG 3.24Å; E38-N42 PolarHBondContact O-N 3.2Å; E38-N42 PolarHBondContact O-ND2 3.28Å
39	M	94.6	Very high	89.1	Confident	83 Å²	83	72.6 Å²	72.6	41%	0.409	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-49.1	177.2	180	-174.5	64.1	0	0	111.6	S35 Y36 N42 A43	S35-M39 VanDerWaalsContact O-CB 3.22Å; S35-M39 WeakPolarHBondContact O-CB 3.46Å; S35-M39 PolarHBondContact O-N 3.08Å; Y36-M39 HydrophobicContact CD2-CE 3.84Å; Y36-M39 HydrophobicContact CE2-CE 4.22Å; Y36-M39 PolarHBondContact O-N 3Å; M39-N42 PolarHBondContact O-N 3.03Å; M39-A43 WeakPolarHBondContact O-CB 3.15Å; M39-A43 PolarHBondContact O-N 2.9Å
40	R	95	Very high	90.5	Very high	6 Å²	6	73.2 Å²	73.2	2%	0.023	40%	0.397	C	S	.	.	H	α-helix	trans	-64.9	-42.2	178.1	-70.6	-67.3	-86.4	158.2	-1.1	111.2	Y36 E38 N42 A43 I44 I135 H137 D140 L170	Y36-R40 HydrophobicContact CD1-CG 3.81Å; Y36-R40 HydrophobicContact CD2-CG 4.5Å; Y36-R40 HydrophobicContact CE1-CG 3.42Å; Y36-R40 VanDerWaalsContact CE1-CG 3.42Å; Y36-R40 HydrophobicContact CE2-CG 4.16Å; Y36-R40 HydrophobicContact CG-CG 4.35Å; Y36-R40 WeakPolarHBondContact O-CB 3.36Å; Y36-R40 WeakPolarHBondContact O-CG 3.18Å; Y36-R40 PolarHBondContact O-N 3.09Å; E38-R40 PolarHBondContact O-N 2.82Å; R40-N42 VanDerWaalsContact C-N 3.31Å; R40-N42 PolarHBondContact O-N 3.36Å; R40-A43 PolarHBondContact O-N 3.27Å; R40-I44 VanDerWaalsContact O-CG1 3.31Å; R40-I44 WeakPolarHBondContact O-CG1 2.95Å; R40-I44 PolarHBondContact O-N 3.18Å; R40-I135 PolarHBondContact NH1-O 3.46Å; R40-I135 VanDerWaalsContact NH1-O 3.09Å; R40-H137 VanDerWaalsContact CZ-CB 3.47Å; R40-H137 PolarHBondContact NH1-CD2 3.47Å; R40-H137 PolarHBondContact NH1-NE2 3.15Å; R40-H137 VanDerWaalsContact NH2-CB 3.27Å; R40-D140 IonicContact CZ-OD2 3.1Å; R40-D140 IonicContact NH2-OD1 3.65Å; R40-D140 PolarHBondContact NH2-OD1 2.95Å; R40-D140 IonicContact NH2-OD2 3.68Å; R40-D140 PolarHBondContact NH2-OD2 3.32Å; R40-L170 HydrophobicContact CB-CD2 4.42Å
41	K	95	Very high	91.3	Very high	125 Å²	125	76.2 Å²	76.2	54%	0.543	41%	0.407	S	S	.	.	H	α-helix	trans	-58.1	-44.1	176.5	-175	-179.6	177.5	-176.6	0	111.7	H37 E38 S45	H37-K41 WeakPolarHBondContact O-CB 3.38Å; H37-K41 PolarHBondContact O-N 2.82Å; E38-K41 PolarHBondContact O-N 2.98Å; K41-S45 WeakPolarHBondContact O-CB 3.49Å; K41-S45 PolarHBondContact O-N 3.37Å
42	N	94.7	Very high	91.5	Very high	98 Å²	98	78.5 Å²	78.5	52%	0.524	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-47.6	176.5	-68.7	-17.9	0	0	0	111.4	E38 M39 R40 I44 S45 E46	E38-N42 WeakPolarHBondContact O-CB 3.43Å; E38-N42 VanDerWaalsContact O-CG 3.24Å; E38-N42 PolarHBondContact O-N 3.2Å; E38-N42 PolarHBondContact O-ND2 3.28Å; M39-N42 PolarHBondContact O-N 3.03Å; R40-N42 VanDerWaalsContact C-N 3.31Å; R40-N42 PolarHBondContact O-N 3.36Å; N42-I44 VanDerWaalsContact C-N 3.34Å; N42-I44 PolarHBondContact O-N 2.96Å; N42-S45 WeakPolarHBondContact O-CA 3.05Å; N42-S45 WeakPolarHBondContact O-CB 3.45Å; N42-S45 PolarHBondContact O-N 2.96Å; N42-E46 PolarHBondContact O-N 3.24Å
43	A	93.8	Very high	91.7	Very high	36 Å²	36	78.3 Å²	78.3	30%	0.298	41%	0.412	S	S	.	.	H	α-helix	trans	-58.7	-42.4	177.4	0	0	0	0	0	112.7	M39 R40 S45 E46 L47	M39-A43 WeakPolarHBondContact O-CB 3.15Å; M39-A43 PolarHBondContact O-N 2.9Å; R40-A43 PolarHBondContact O-N 3.27Å; A43-S45 VanDerWaalsContact C-N 3.35Å; A43-E46 PolarHBondContact O-N 3.31Å; A43-L47 WeakPolarHBondContact O-CG 3.4Å; A43-L47 PolarHBondContact O-N 3.49Å
44	I	95.3	Very high	92	Very high	4 Å²	4	75.7 Å²	75.7	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-34.7	175.2	-62.2	-45.8	0	0	0	111.5	R40 N42 L47 K48 P54 Y55 L165 P168 L170	R40-I44 VanDerWaalsContact O-CG1 3.31Å; R40-I44 WeakPolarHBondContact O-CG1 2.95Å; R40-I44 PolarHBondContact O-N 3.18Å; N42-I44 VanDerWaalsContact C-N 3.34Å; N42-I44 PolarHBondContact O-N 2.96Å; I44-L47 HydrophobicContact CD1-CD1 3.82Å; I44-L47 PolarHBondContact O-N 3.05Å; I44-K48 WeakPolarHBondContact O-CG 3.36Å; I44-K48 PolarHBondContact O-N 3.23Å; I44-K48 VanDerWaalsContact O-N 3.09Å; I44-P54 HydrophobicContact CG2-CB 4.17Å; I44-P54 HydrophobicContact CG2-CG 3.91Å; I44-Y55 HydrophobicContact CG2-CE2 3.83Å; I44-L165 HydrophobicContact CD1-CD2 4.38Å; I44-P168 HydrophobicContact CD1-CB 3.53Å; I44-P168 HydrophobicContact CD1-CG 3.62Å; I44-P168 HydrophobicContact CG1-CB 3.83Å; I44-P168 HydrophobicContact CG1-CG 3.68Å; I44-P168 HydrophobicContact CG2-CG 4.03Å; I44-L170 HydrophobicContact CB-CD2 4.39Å; I44-L170 HydrophobicContact CG1-CD2 3.75Å
45	S	94	Very high	92.3	Very high	62 Å²	62	75.3 Å²	75.3	43%	0.434	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-39.6	174.5	-165.9	0	0	0	0	112.2	K41 N42 A43 K48 N49	K41-S45 WeakPolarHBondContact O-CB 3.49Å; K41-S45 PolarHBondContact O-N 3.37Å; N42-S45 WeakPolarHBondContact O-CA 3.05Å; N42-S45 WeakPolarHBondContact O-CB 3.45Å; N42-S45 PolarHBondContact O-N 2.96Å; A43-S45 VanDerWaalsContact C-N 3.35Å; S45-K48 PolarHBondContact O-N 3.37Å; S45-N49 PolarHBondContact O-N 2.82Å; S45-N49 PolarHBondContact O-ND2 2.57Å
46	E	93.3	Very high	92.5	Very high	134 Å²	134	75 Å²	75	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-65.2	-42.7	174.3	-71.5	175.4	-176.2	0	0	111.3	N42 A43 K48 N49	N42-E46 PolarHBondContact O-N 3.24Å; A43-E46 PolarHBondContact O-N 3.31Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 3.41Å; E46-N49 WeakPolarHBondContact O-CB 3.45Å; E46-N49 PolarHBondContact O-N 3.45Å
47	L	93	Very high	92.6	Very high	27 Å²	27	83.9 Å²	83.9	14%	0.141	42%	0.417	C	S	.	.	H	α-helix	trans	-57.9	-40.3	175.1	-76.5	169.6	0	0	0	112.3	A43 I44 N49 T50 K52 P54 I135	A43-L47 WeakPolarHBondContact O-CG 3.4Å; A43-L47 PolarHBondContact O-N 3.49Å; I44-L47 HydrophobicContact CD1-CD1 3.82Å; I44-L47 PolarHBondContact O-N 3.05Å; L47-N49 PolarHBondContact O-N 3.38Å; L47-T50 WeakPolarHBondContact O-CB 3.47Å; L47-T50 PolarHBondContact O-N 2.69Å; L47-T50 PolarHBondContact O-OG1 3.43Å; L47-K52 HydrophobicContact CD2-CB 4.5Å; L47-K52 HydrophobicContact CD2-CD 4.44Å; L47-K52 VanDerWaalsContact O-O 3.1Å; L47-P54 HydrophobicContact CB-CG 4.38Å; L47-I135 HydrophobicContact CD1-CD1 4.48Å; L47-I135 HydrophobicContact CD1-CG1 4.17Å; L47-I135 HydrophobicContact CD1-CG2 3.82Å; L47-I135 HydrophobicContact CD2-CD1 3.67Å; L47-I135 HydrophobicContact CD2-CG1 3.98Å
48	K	92.8	Very high	92.7	Very high	121 Å²	121	89.6 Å²	89.6	53%	0.526	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-26.2	175.8	-73	175.8	-179	-178.7	0	113.7	I44 S45 E46 T50 P54	I44-K48 WeakPolarHBondContact O-CG 3.36Å; I44-K48 PolarHBondContact O-N 3.23Å; I44-K48 VanDerWaalsContact O-N 3.09Å; S45-K48 PolarHBondContact O-N 3.37Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 3.41Å; K48-T50 VanDerWaalsContact C-N 3.26Å; K48-P54 HydrophobicContact CG-CG 3.7Å
49	N	89.4	Confident	92.8	Very high	139 Å²	139	85.7 Å²	85.7	74%	0.743	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.5	176.4	-64.7	-30.4	0	0	0	112.8	S45 E46 L47	S45-N49 PolarHBondContact O-N 2.82Å; S45-N49 PolarHBondContact O-ND2 2.57Å; E46-N49 WeakPolarHBondContact O-CB 3.45Å; E46-N49 PolarHBondContact O-N 3.45Å; L47-N49 PolarHBondContact O-N 3.38Å
50	T	87	Confident	93	Very high	72 Å²	72	88.1 Å²	88.1	44%	0.442	43%	0.432	S	S	.	.	S	Bend	trans	-97.3	174.5	172.6	77	0	0	0	0	110.6	L47 K48 K52	L47-T50 WeakPolarHBondContact O-CB 3.47Å; L47-T50 PolarHBondContact O-N 2.69Å; L47-T50 PolarHBondContact O-OG1 3.43Å; K48-T50 VanDerWaalsContact C-N 3.26Å; T50-K52 PolarHBondContact O-N 2.85Å; T50-K52 WeakPolarHBondContact OG1-CB 3.48Å; T50-K52 PolarHBondContact OG1-N 2.82Å; T50-K52 VanDerWaalsContact OG1-N 3.08Å
51	Q	80.6	Confident	93.1	Very high	197 Å²	197	90.6 Å²	90.6	92%	0.921	45%	0.449	S	S	*	.	S	Bend	trans	-70.1	-4.3	171	-65.1	-65.8	-24.6	0	0	113.2	N53	Q51-N53 PolarHBondContact O-N 3.34Å
52	K	81.5	Confident	93.2	Very high	94 Å²	94	88.6 Å²	88.6	41%	0.409	45%	0.448	S	S	.	.			trans	-86.8	94.6	179.2	-59.2	178.3	178.9	175	0	109.2	L47 T50 P54 D131 I135	L47-K52 HydrophobicContact CD2-CB 4.5Å; L47-K52 HydrophobicContact CD2-CD 4.44Å; L47-K52 VanDerWaalsContact O-O 3.1Å; T50-K52 PolarHBondContact O-N 2.85Å; T50-K52 WeakPolarHBondContact OG1-CB 3.48Å; T50-K52 PolarHBondContact OG1-N 2.82Å; T50-K52 VanDerWaalsContact OG1-N 3.08Å; K52-P54 WeakPolarHBondContact O-CD 3.43Å; K52-D131 IonicContact NZ-OD2 3.18Å; K52-D131 PolarHBondContact NZ-OD2 2.76Å; K52-I135 HydrophobicContact CD-CD1 4.19Å
53	N	91.2	Very high	93.3	Very high	83 Å²	83	85 Å²	85	44%	0.444	43%	0.428	S	S	.	.			trans	-69.7	112.1	175.4	178.2	9.7	0	0	0	110.9	Q51 Y55	Q51-N53 PolarHBondContact O-N 3.34Å; N53-Y55 PolarHBondContact ND2-O 3.34Å; N53-Y55 PolarHBondContact O-N 2.91Å; N53-Y55 VanDerWaalsContact OD1-C 3.3Å; N53-Y55 PolarHBondContact OD1-N 3.04Å; N53-Y55 PolarHBondContact OD1-O 3.19Å
54	P	95.3	Very high	93.5	Very high	3 Å²	3	85.3 Å²	85.3	2%	0.019	43%	0.429	C	S	.	.	S	Bend	trans	-74.5	-7.8	-179.6	29.7	-31.5	0	0	0	113.8	I44 L47 K48 K52 L165 P168	I44-P54 HydrophobicContact CG2-CB 4.17Å; I44-P54 HydrophobicContact CG2-CG 3.91Å; L47-P54 HydrophobicContact CB-CG 4.38Å; K48-P54 HydrophobicContact CG-CG 3.7Å; K52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-L165 HydrophobicContact CB-CD2 3.95Å; P54-P168 WeakPolarHBondContact O-CD 3.35Å
55	Y	96.7	Very high	93.5	Very high	87 Å²	87	85.5 Å²	85.5	34%	0.341	43%	0.429	S	S	.	.	S	Bend	trans	-128.4	68.8	176.3	-61	-83.3	0	0	0	110.2	I44 N53 P168	I44-Y55 HydrophobicContact CG2-CE2 3.83Å; N53-Y55 PolarHBondContact ND2-O 3.34Å; N53-Y55 PolarHBondContact O-N 2.91Å; N53-Y55 VanDerWaalsContact OD1-C 3.3Å; N53-Y55 PolarHBondContact OD1-N 3.04Å; N53-Y55 PolarHBondContact OD1-O 3.19Å; Y55-P168 HydrophobicContact CE1-CG 4.07Å; Y55-P168 HydrophobicContact CE2-CG 4.21Å; Y55-P168 WeakPolarHBondContact OH-CG 3.28Å
56	P	96.5	Very high	93.6	Very high	43 Å²	43	84.4 Å²	84.4	28%	0.279	42%	0.424	S	S	.	.			trans	-61.7	141.8	178	27.4	-35.9	0	0	0	111.9	K58 L165 L166	P56-K58 VanDerWaalsContact C-N 3.34Å; P56-K58 PolarHBondContact O-N 3Å; P56-L165 WeakPolarHBondContact CD-O 3.41Å; P56-L165 WeakPolarHBondContact CG-O 3.46Å; P56-L166 WeakPolarHBondContact CD-O 3.49Å; P56-L166 HydrophobicContact CG-CD2 3.77Å
57	H	96.4	Very high	93.8	Very high	188 Å²	188	83.3 Å²	83.3	87%	0.87	42%	0.419	S	S	*	.	S	Bend	trans	-66.7	-32.8	-178.6	-69.9	84.2	0	0	0	113.4
58	K	96.7	Very high	94	Very high	164 Å²	164	82 Å²	82	71%	0.713	41%	0.412	S	S	*	.			trans	-148.6	134.5	-176.9	-175.8	63.4	177.5	177.7	0	111.7	P56	P56-K58 VanDerWaalsContact C-N 3.34Å; P56-K58 PolarHBondContact O-N 3Å
59	F	97.1	Very high	94.2	Very high	33 Å²	33	78.4 Å²	78.4	15%	0.145	40%	0.398	C	S	.	.			trans	-123.3	145.4	160.4	-179.6	-99.6	0	0	0	107.6	P61 I88 A89 L166	F59-P61 HydrophobicContact CD1-CG 3.82Å; F59-P61 HydrophobicContact CE1-CB 4.47Å; F59-P61 HydrophobicContact CE1-CG 3.95Å; F59-P61 WeakPolarHBondContact O-CD 3.47Å; F59-I88 VanDerWaalsContact CE1-O 3.24Å; F59-I88 WeakPolarHBondContact CE1-O 3.43Å; F59-A89 HydrophobicContact CD1-CB 4.01Å; F59-A89 HydrophobicContact CE1-CB 3.97Å; F59-L166 HydrophobicContact CB-CD1 3.98Å; F59-L166 HydrophobicContact CB-CD2 3.64Å; F59-L166 HydrophobicContact CB-CG 4.49Å; F59-L166 HydrophobicContact CD1-CD1 4Å; F59-L166 HydrophobicContact CD2-CD2 4.05Å; F59-L166 HydrophobicContact CG-CD1 4Å; F59-L166 HydrophobicContact CG-CD2 3.89Å
60	H	97.4	Very high	94.6	Very high	134 Å²	134	80.5 Å²	80.5	62%	0.62	40%	0.401	S	S	*	.			trans	-116.2	86.8	-176.5	-165.8	96.2	0	0	0	109.9	T62	H60-T62 PolarHBondContact O-N 2.92Å
61	P	96.9	Very high	95.1	Very high	58 Å²	58	83 Å²	83	38%	0.377	41%	0.406	S	S	.	.			trans	-58.8	131	167.4	-18.6	31	0	0	0	109.5	F59 S87 A89	F59-P61 HydrophobicContact CD1-CG 3.82Å; F59-P61 HydrophobicContact CE1-CB 4.47Å; F59-P61 HydrophobicContact CE1-CG 3.95Å; F59-P61 WeakPolarHBondContact O-CD 3.47Å; P61-S87 CarbonylContact C-O 3.55Å; P61-S87 VanDerWaalsContact CA-O 3.23Å; P61-S87 WeakPolarHBondContact CA-O 3.45Å; P61-A89 HydrophobicContact CG-CB 4.05Å
62	T	97.8	Very high	95.9	Very high	83 Å²	83	74.2 Å²	74.2	51%	0.509	36%	0.364	S	S	.	.	S	Bend	trans	-85.8	-15.7	176.6	60.9	0	0	0	0	112	H60 V86 S87	H60-T62 PolarHBondContact O-N 2.92Å; T62-V86 WeakPolarHBondContact OG1-CA 3.34Å; T62-S87 PolarHBondContact N-O 2.75Å; T62-S87 PolarHBondContact OG1-N 2.89Å; T62-S87 PolarHBondContact OG1-O 2.81Å
63	I	97.5	Very high	96.5	Very high	23 Å²	23	72.4 Å²	72.4	12%	0.118	36%	0.363	C	S	.	.	S	Bend	trans	-156.2	145.9	-176.2	-167.7	167.1	0	0	0	109.7	E67 F68 K71 Y72 V86 I88	I63-E67 HydrophobicContact CD1-CB 3.86Å; I63-E67 HydrophobicContact CG1-CB 3.49Å; I63-E67 VanDerWaalsContact CG1-CB 3.49Å; I63-F68 HydrophobicContact CD1-CB 4.35Å; I63-F68 HydrophobicContact CG2-CB 4.24Å; I63-F68 HydrophobicContact CG2-CD2 4.09Å; I63-K71 HydrophobicContact CD1-CD 4.19Å; I63-Y72 HydrophobicContact CD1-CE2 4.38Å; I63-V86 HydrophobicContact CG2-CB 4.09Å; I63-V86 HydrophobicContact CG2-CG1 4.42Å; I63-I88 HydrophobicContact CG2-CG2 3.77Å
64	S	96.6	Very high	96.7	Very high	43 Å²	43	73.6 Å²	73.6	30%	0.301	38%	0.378	S	S	.	.			trans	-73.5	164.2	171.5	64.7	0	0	0	0	111.8	E67 F68	S64-E67 PolarHBondContact N-OE2 2.94Å; S64-E67 VanDerWaalsContact N-OE2 3.13Å; S64-E67 PolarHBondContact O-N 3.3Å; S64-E67 VanDerWaalsContact OG-CB 3.29Å; S64-E67 WeakPolarHBondContact OG-CB 3.47Å; S64-E67 VanDerWaalsContact OG-CD 3.26Å; S64-E67 WeakPolarHBondContact OG-CG 3.45Å; S64-E67 PolarHBondContact OG-N 2.91Å; S64-E67 VanDerWaalsContact OG-N 3.16Å; S64-E67 PolarHBondContact OG-OE2 3.37Å; S64-F68 VanDerWaalsContact O-CB 3.31Å; S64-F68 WeakPolarHBondContact O-CB 3.47Å; S64-F68 PolarHBondContact O-N 3.42Å
65	L	96.6	Very high	96.8	Very high	7 Å²	7	74.2 Å²	74.2	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-41.3	175.1	-87.4	65.6	0	0	0	111.4	E67 F68 I69 I88 A89 I107 C112 L114	L65-E67 PolarHBondContact O-N 2.86Å; L65-F68 PolarHBondContact O-N 3.39Å; L65-I69 WeakPolarHBondContact O-CB 3.24Å; L65-I69 VanDerWaalsContact O-CG1 3.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.33Å; L65-I69 PolarHBondContact O-N 2.81Å; L65-I88 HydrophobicContact CD1-CB 4.05Å; L65-A89 WeakPolarHBondContact CD1-O 3.5Å; L65-I107 HydrophobicContact CD2-CD1 4.29Å; L65-I107 HydrophobicContact CD2-CG1 4.3Å; L65-C112 HydrophobicContact CB-CB 3.85Å; L65-L114 HydrophobicContact CD2-CB 4.36Å
66	A	95.9	Very high	96.8	Very high	39 Å²	39	73.9 Å²	73.9	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-60.6	-45.9	177.7	0	0	0	0	0	112	I69 K70	A66-I69 PolarHBondContact O-N 3.06Å; A66-K70 WeakPolarHBondContact O-CB 3.31Å; A66-K70 PolarHBondContact O-N 2.89Å
67	E	96.9	Very high	96.7	Very high	111 Å²	111	75.7 Å²	75.7	52%	0.519	41%	0.405	S	S	.	.	H	α-helix	trans	-68.2	-38.1	176.4	-70.3	166.9	141.7	0	0	112.3	I63 S64 L65 K70 K71	I63-E67 HydrophobicContact CD1-CB 3.86Å; I63-E67 HydrophobicContact CG1-CB 3.49Å; I63-E67 VanDerWaalsContact CG1-CB 3.49Å; S64-E67 PolarHBondContact N-OE2 2.94Å; S64-E67 VanDerWaalsContact N-OE2 3.13Å; S64-E67 PolarHBondContact O-N 3.3Å; S64-E67 VanDerWaalsContact OG-CB 3.29Å; S64-E67 WeakPolarHBondContact OG-CB 3.47Å; S64-E67 VanDerWaalsContact OG-CD 3.26Å; S64-E67 WeakPolarHBondContact OG-CG 3.45Å; S64-E67 PolarHBondContact OG-N 2.91Å; S64-E67 VanDerWaalsContact OG-N 3.16Å; S64-E67 PolarHBondContact OG-OE2 3.37Å; L65-E67 PolarHBondContact O-N 2.86Å; E67-K70 PolarHBondContact O-N 2.91Å; E67-K71 WeakPolarHBondContact O-CB 3.29Å; E67-K71 PolarHBondContact O-N 3.16Å
68	F	97.8	Very high	96.6	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-49.6	174.3	-175.7	-72.3	0	0	0	110.4	I63 S64 L65 K71 Y72 V86 I88 L114 P148 L156 I158	I63-F68 HydrophobicContact CD1-CB 4.35Å; I63-F68 HydrophobicContact CG2-CB 4.24Å; I63-F68 HydrophobicContact CG2-CD2 4.09Å; S64-F68 VanDerWaalsContact O-CB 3.31Å; S64-F68 WeakPolarHBondContact O-CB 3.47Å; S64-F68 PolarHBondContact O-N 3.42Å; L65-F68 PolarHBondContact O-N 3.39Å; F68-K71 PolarHBondContact O-N 2.82Å; F68-Y72 AromaticContact CD1-CD2 3.96Å; F68-Y72 HydrophobicContact CD1-CD2 3.96Å; F68-Y72 AromaticContact CD2-CD2 3.86Å; F68-Y72 HydrophobicContact CD2-CD2 3.86Å; F68-Y72 AromaticContact CD2-CE2 3.98Å; F68-Y72 HydrophobicContact CD2-CE2 3.98Å; F68-Y72 HydrophobicContact CE1-CD2 4.06Å; F68-Y72 HydrophobicContact CE2-CD2 4Å; F68-Y72 HydrophobicContact CE2-CE2 4.21Å; F68-Y72 AromaticContact CG-CD2 3.84Å; F68-Y72 HydrophobicContact CG-CD2 3.84Å; F68-Y72 HydrophobicContact CG-CE2 4.32Å; F68-Y72 HydrophobicContact CZ-CD2 4.09Å; F68-Y72 VanDerWaalsContact O-CD2 3.26Å; F68-Y72 WeakPolarHBondContact O-CD2 3.27Å; F68-Y72 PolarHBondContact O-N 3.39Å; F68-V86 HydrophobicContact CD2-CG2 3.91Å; F68-V86 HydrophobicContact CE2-CG2 3.53Å; F68-I88 HydrophobicContact CD2-CG2 3.95Å; F68-L114 HydrophobicContact CD1-CD1 3.8Å; F68-L114 HydrophobicContact CD1-CD2 3.69Å; F68-L114 HydrophobicContact CD1-CG 4.42Å; F68-L114 HydrophobicContact CE1-CD1 3.71Å; F68-L114 HydrophobicContact CE1-CD2 3.69Å; F68-L114 HydrophobicContact CE1-CG 4.33Å; F68-L114 HydrophobicContact CE2-CD2 4.47Å; F68-L114 HydrophobicContact CG-CD2 4.15Å; F68-L114 HydrophobicContact CZ-CD2 4.09Å; F68-P148 HydrophobicContact CE2-CB 4.12Å; F68-P148 HydrophobicContact CE2-CG 4Å; F68-P148 HydrophobicContact CZ-CB 3.77Å; F68-P148 HydrophobicContact CZ-CG 4.17Å; F68-L156 HydrophobicContact CD1-CD2 4.22Å; F68-L156 HydrophobicContact CE1-CD1 4.3Å; F68-L156 HydrophobicContact CE1-CD2 4.17Å; F68-L156 HydrophobicContact CE1-CG 4.09Å; F68-I158 HydrophobicContact CE2-CB 4.31Å; F68-I158 HydrophobicContact CE2-CD1 4.35Å; F68-I158 HydrophobicContact CZ-CB 4.09Å
69	I	97	Very high	96.5	Very high	45 Å²	45	64.1 Å²	64.1	23%	0.231	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-51.2	178	-68.1	165.6	0	0	0	109.5	L65 A66 K71 Y72 S73 C112 L114 L156	L65-I69 WeakPolarHBondContact O-CB 3.24Å; L65-I69 VanDerWaalsContact O-CG1 3.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.33Å; L65-I69 PolarHBondContact O-N 2.81Å; A66-I69 PolarHBondContact O-N 3.06Å; I69-K71 VanDerWaalsContact C-N 3.29Å; I69-K71 PolarHBondContact O-N 3.43Å; I69-Y72 PolarHBondContact O-N 2.93Å; I69-S73 WeakPolarHBondContact CG2-OG 3.45Å; I69-S73 WeakPolarHBondContact O-CB 3.32Å; I69-S73 PolarHBondContact O-N 3.32Å; I69-S73 PolarHBondContact O-OG 2.9Å; I69-C112 HydrophobicContact CD1-CB 3.76Å; I69-L114 HydrophobicContact CG1-CD1 4.28Å; I69-L156 HydrophobicContact CB-CD2 4.39Å; I69-L156 HydrophobicContact CG1-CD2 4.22Å
70	K	96.8	Very high	96.4	Very high	184 Å²	184	66.1 Å²	66.1	80%	0.8	37%	0.373	S	S	*	.	H	α-helix	trans	-57.3	-41.2	179.2	-176	178.8	178.7	-179.6	0	112.7	A66 E67	A66-K70 WeakPolarHBondContact O-CB 3.31Å; A66-K70 PolarHBondContact O-N 2.89Å; E67-K70 PolarHBondContact O-N 2.91Å
71	K	97.3	Very high	96.3	Very high	125 Å²	125	61.3 Å²	61.3	54%	0.543	35%	0.352	S	S	.	.	H	α-helix	trans	-76.9	-37.9	-175.2	-172.9	174.2	179.1	-172	0	113.4	I63 E67 F68 I69	I63-K71 HydrophobicContact CD1-CD 4.19Å; E67-K71 WeakPolarHBondContact O-CB 3.29Å; E67-K71 PolarHBondContact O-N 3.16Å; F68-K71 PolarHBondContact O-N 2.82Å; I69-K71 VanDerWaalsContact C-N 3.29Å; I69-K71 PolarHBondContact O-N 3.43Å
72	Y	97.5	Very high	96	Very high	12 Å²	12	64.2 Å²	64.2	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-111.2	-0.4	-169.8	-58.1	-66.4	0	0	0	114.3	I63 F68 I69 S74 L75 L81 V84 P148 L156	I63-Y72 HydrophobicContact CD1-CE2 4.38Å; F68-Y72 AromaticContact CD1-CD2 3.96Å; F68-Y72 HydrophobicContact CD1-CD2 3.96Å; F68-Y72 AromaticContact CD2-CD2 3.86Å; F68-Y72 HydrophobicContact CD2-CD2 3.86Å; F68-Y72 AromaticContact CD2-CE2 3.98Å; F68-Y72 HydrophobicContact CD2-CE2 3.98Å; F68-Y72 HydrophobicContact CE1-CD2 4.06Å; F68-Y72 HydrophobicContact CE2-CD2 4Å; F68-Y72 HydrophobicContact CE2-CE2 4.21Å; F68-Y72 AromaticContact CG-CD2 3.84Å; F68-Y72 HydrophobicContact CG-CD2 3.84Å; F68-Y72 HydrophobicContact CG-CE2 4.32Å; F68-Y72 HydrophobicContact CZ-CD2 4.09Å; F68-Y72 VanDerWaalsContact O-CD2 3.26Å; F68-Y72 WeakPolarHBondContact O-CD2 3.27Å; F68-Y72 PolarHBondContact O-N 3.39Å; I69-Y72 PolarHBondContact O-N 2.93Å; Y72-S74 PolarHBondContact O-N 3.4Å; Y72-S74 VanDerWaalsContact O-N 3.12Å; Y72-L75 HydrophobicContact CD1-CD1 4.39Å; Y72-L75 VanDerWaalsContact O-CG 3.3Å; Y72-L75 WeakPolarHBondContact O-CG 3.46Å; Y72-L75 PolarHBondContact O-N 3.36Å; Y72-L81 HydrophobicContact CD1-CD1 3.85Å; Y72-L81 HydrophobicContact CE1-CD1 3.78Å; Y72-V84 WeakPolarHBondContact OH-CG1 3.43Å; Y72-P148 HydrophobicContact CD1-CB 3.76Å; Y72-P148 HydrophobicContact CD1-CG 4Å; Y72-P148 HydrophobicContact CD2-CB 3.91Å; Y72-P148 HydrophobicContact CD2-CG 3.94Å; Y72-P148 HydrophobicContact CE1-CB 4.01Å; Y72-P148 HydrophobicContact CE1-CG 3.71Å; Y72-P148 HydrophobicContact CE2-CB 4.17Å; Y72-P148 HydrophobicContact CE2-CG 3.67Å; Y72-P148 HydrophobicContact CG-CB 3.72Å; Y72-P148 HydrophobicContact CG-CG 4.12Å; Y72-L156 VanDerWaalsContact O-CD1 3.32Å; Y72-L156 WeakPolarHBondContact O-CD1 3.2Å
73	S	95.4	Very high	95.8	Very high	55 Å²	55	67.1 Å²	67.1	39%	0.385	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.6	177	-74.8	0	0	0	0	114.4	I69 L75 K150	I69-S73 WeakPolarHBondContact CG2-OG 3.45Å; I69-S73 WeakPolarHBondContact O-CB 3.32Å; I69-S73 PolarHBondContact O-N 3.32Å; I69-S73 PolarHBondContact O-OG 2.9Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-K150 WeakPolarHBondContact O-CE 3.29Å; S73-K150 PolarHBondContact O-NZ 3.13Å
74	S	95.7	Very high	95.7	Very high	108 Å²	108	67.9 Å²	67.9	76%	0.755	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.7	179	53.3	0	0	0	0	114.8	Y72	Y72-S74 PolarHBondContact O-N 3.4Å; Y72-S74 VanDerWaalsContact O-N 3.12Å
75	L	96.4	Very high	95.7	Very high	17 Å²	17	69.8 Å²	69.8	9%	0.089	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-58.7	152.7	178.4	-67.3	173.7	0	0	0	112.1	Y72 S73 E79 L81 P148 K150 L156	Y72-L75 HydrophobicContact CD1-CD1 4.39Å; Y72-L75 VanDerWaalsContact O-CG 3.3Å; Y72-L75 WeakPolarHBondContact O-CG 3.46Å; Y72-L75 PolarHBondContact O-N 3.36Å; S73-L75 VanDerWaalsContact C-N 3.34Å; L75-E79 VanDerWaalsContact CD2-CD 3.48Å; L75-E79 HydrophobicContact CD2-CG 4.13Å; L75-L81 HydrophobicContact CD1-CD1 4.33Å; L75-L81 HydrophobicContact CD1-CG 4.32Å; L75-L81 HydrophobicContact CD2-CD1 3.95Å; L75-L81 HydrophobicContact CD2-CD2 3.95Å; L75-L81 HydrophobicContact CD2-CG 3.94Å; L75-P148 HydrophobicContact CD1-CB 4.39Å; L75-K150 HydrophobicContact CB-CD 4.13Å; L75-K150 HydrophobicContact CB-CG 4.25Å; L75-K150 WeakPolarHBondContact O-CD 3.17Å; L75-K150 WeakPolarHBondContact O-CE 3.16Å; L75-K150 PolarHBondContact O-NZ 3.5Å; L75-L156 HydrophobicContact CD1-CD1 4.46Å
76	S	95.9	Very high	95.8	Very high	80 Å²	80	70 Å²	70	56%	0.559	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-79.9	153.4	174.4	-58.7	0	0	0	0	111.2	G78 E79 K150	S76-G78 PolarHBondContact O-N 2.87Å; S76-E79 WeakPolarHBondContact CB-OE2 3.36Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 WeakPolarHBondContact O-CB 3.38Å; S76-E79 PolarHBondContact O-N 3.42Å; S76-K150 WeakPolarHBondContact O-CB 3.49Å
77	S	95.5	Very high	95.9	Very high	80 Å²	80	68.9 Å²	68.9	56%	0.559	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	126.7	175.9	-60.9	0	0	0	0	111.1	E79 G154	S77-E79 VanDerWaalsContact C-N 3.31Å; S77-G154 WeakPolarHBondContact OG-CA 3.32Å
78	G	93.6	Very high	96	Very high	35 Å²	35	63.6 Å²	63.6	36%	0.361	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-2.9	-176.2	0	0	0	0	0	115.4	S76 K150 S151	S76-G78 PolarHBondContact O-N 2.87Å; G78-K150 WeakPolarHBondContact CA-O 3.4Å; G78-K150 PolarHBondContact N-O 3.3Å; G78-K150 VanDerWaalsContact N-O 3.08Å; G78-S151 PolarHBondContact N-O 3.37Å
79	E	95.7	Very high	96	Very high	74 Å²	74	64.7 Å²	64.7	35%	0.346	37%	0.371	S	S	.	.			trans	-75	131.9	176	-172.7	178.4	179.2	0	0	110.9	L75 S76 S77 G149 K150	L75-E79 VanDerWaalsContact CD2-CD 3.48Å; L75-E79 HydrophobicContact CD2-CG 4.13Å; S76-E79 WeakPolarHBondContact CB-OE2 3.36Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 WeakPolarHBondContact O-CB 3.38Å; S76-E79 PolarHBondContact O-N 3.42Å; S77-E79 VanDerWaalsContact C-N 3.31Å; E79-G149 CarbonylContact O-C 3.53Å; E79-G149 WeakPolarHBondContact O-CA 3.26Å; E79-K150 PolarHBondContact O-N 3.45Å
80	H	93.5	Very high	96	Very high	75 Å²	75	62.9 Å²	62.9	35%	0.347	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-124.8	132.1	176.8	-64.8	-171.8	0	0	0	109.1	D82	H80-D82 PolarHBondContact O-N 2.79Å
81	L	95.9	Very high	96	Very high	34 Å²	34	57.7 Å²	57.7	18%	0.178	34%	0.339	C	S	.	.			trans	-97.2	74.7	177	-59.2	-174.5	0	0	0	110.2	Y72 L75 D83 V84 S147 P148	Y72-L81 HydrophobicContact CD1-CD1 3.85Å; Y72-L81 HydrophobicContact CE1-CD1 3.78Å; L75-L81 HydrophobicContact CD1-CD1 4.33Å; L75-L81 HydrophobicContact CD1-CG 4.32Å; L75-L81 HydrophobicContact CD2-CD1 3.95Å; L75-L81 HydrophobicContact CD2-CD2 3.95Å; L75-L81 HydrophobicContact CD2-CG 3.94Å; L81-D83 PolarHBondContact O-N 3.06Å; L81-V84 HydrophobicContact CB-CB 4.02Å; L81-V84 HydrophobicContact CB-CG2 4.08Å; L81-V84 HydrophobicContact CD1-CG2 4.27Å; L81-V84 PolarHBondContact O-N 2.91Å; L81-S147 VanDerWaalsContact O-CB 3.31Å; L81-S147 WeakPolarHBondContact O-CB 3.34Å; L81-S147 PolarHBondContact O-OG 3.4Å; L81-P148 HydrophobicContact CD1-CB 4.39Å; L81-P148 PolarHBondContact N-O 3.09Å
82	D	90.9	Very high	96	Very high	118 Å²	118	51.8 Å²	51.8	63%	0.631	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	-175.2	-63.9	-34.5	0	0	0	113.2	H80	H80-D82 PolarHBondContact O-N 2.79Å
83	D	93.4	Very high	95.7	Very high	144 Å²	144	52 Å²	52	77%	0.77	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.2	175.3	65.4	-36.9	0	0	0	113.6	L81	L81-D83 PolarHBondContact O-N 3.06Å
84	V	96.4	Very high	95.6	Very high	39 Å²	39	50.7 Å²	50.7	24%	0.236	31%	0.307	C	S	.	.			trans	-109.2	119.3	-179.7	178.7	0	0	0	0	109.5	Y72 L81 V86 S147 P148	Y72-V84 WeakPolarHBondContact OH-CG1 3.43Å; L81-V84 HydrophobicContact CB-CB 4.02Å; L81-V84 HydrophobicContact CB-CG2 4.08Å; L81-V84 HydrophobicContact CD1-CG2 4.27Å; L81-V84 PolarHBondContact O-N 2.91Å; V84-V86 HydrophobicContact CG1-CG1 4.09Å; V84-S147 WeakPolarHBondContact O-CA 3.14Å; V84-S147 PolarHBondContact O-OG 3.12Å; V84-P148 HydrophobicContact CG1-CG 4Å; V84-P148 WeakPolarHBondContact O-CD 3.31Å
85	S	96.4	Very high	95.6	Very high	84 Å²	84	48.3 Å²	48.3	59%	0.587	28%	0.283	S	S	*	.			trans	-108.6	127.5	172.2	-165.9	0	0	0	0	110.6
86	V	97.8	Very high	95.5	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.6	176.1	-64.1	0	0	0	0	110.5	T62 I63 F68 V84 S145 G146 P148 I158	T62-V86 WeakPolarHBondContact OG1-CA 3.34Å; I63-V86 HydrophobicContact CG2-CB 4.09Å; I63-V86 HydrophobicContact CG2-CG1 4.42Å; F68-V86 HydrophobicContact CD2-CG2 3.91Å; F68-V86 HydrophobicContact CE2-CG2 3.53Å; V84-V86 HydrophobicContact CG1-CG1 4.09Å; V86-S145 WeakPolarHBondContact O-CA 3.23Å; V86-G146 PolarHBondContact N-O 3.04Å; V86-G146 PolarHBondContact O-N 3.39Å; V86-G146 VanDerWaalsContact O-O 3.14Å; V86-P148 HydrophobicContact CG2-CG 3.95Å; V86-I158 HydrophobicContact CG2-CD1 4.08Å
87	S	98.1	Very high	95.4	Very high	17 Å²	17	53.6 Å²	53.6	12%	0.119	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.1	174.4	-59.9	0	0	0	0	110.3	P61 T62 C144 S145	P61-S87 CarbonylContact C-O 3.55Å; P61-S87 VanDerWaalsContact CA-O 3.23Å; P61-S87 WeakPolarHBondContact CA-O 3.45Å; T62-S87 PolarHBondContact N-O 2.75Å; T62-S87 PolarHBondContact OG1-N 2.89Å; T62-S87 PolarHBondContact OG1-O 2.81Å; S87-C144 CarbonylContact C-O 3.54Å; S87-C144 VanDerWaalsContact CA-O 3.28Å; S87-C144 WeakPolarHBondContact CA-O 3.37Å; S87-S145 WeakPolarHBondContact OG-CB 3.42Å; S87-S145 PolarHBondContact OG-OG 3.18Å
88	I	98	Very high	95.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	162.4	177.5	63.8	178.3	0	0	0	109.7	F59 I63 L65 F68 I107 L114 G143 C144 I158	F59-I88 VanDerWaalsContact CE1-O 3.24Å; F59-I88 WeakPolarHBondContact CE1-O 3.43Å; I63-I88 HydrophobicContact CG2-CG2 3.77Å; L65-I88 HydrophobicContact CD1-CB 4.05Å; F68-I88 HydrophobicContact CD2-CG2 3.95Å; I88-I107 HydrophobicContact CD1-CD1 3.59Å; I88-I107 HydrophobicContact CG1-CD1 4.09Å; I88-L114 HydrophobicContact CD1-CD2 3.32Å; I88-G143 CarbonylContact O-C 3.48Å; I88-G143 WeakPolarHBondContact O-CA 3.48Å; I88-C144 HydrophobicContact CG1-CB 3.98Å; I88-C144 PolarHBondContact N-O 3Å; I88-C144 PolarHBondContact O-N 2.71Å; I88-I158 HydrophobicContact CD1-CB 4.2Å; I88-I158 HydrophobicContact CD1-CD1 3.94Å; I88-I158 HydrophobicContact CD1-CG2 3.65Å; I88-I158 HydrophobicContact CG1-CD1 3.95Å; I88-I158 HydrophobicContact CG1-CG2 4.5Å
89	A	98.2	Very high	95.1	Very high	23 Å²	23	53.3 Å²	53.3	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.3	173.5	0	0	0	0	0	110.6	F59 P61 L65 I142 L166	F59-A89 HydrophobicContact CD1-CB 4.01Å; F59-A89 HydrophobicContact CE1-CB 3.97Å; P61-A89 HydrophobicContact CG-CB 4.05Å; L65-A89 WeakPolarHBondContact CD1-O 3.5Å; A89-I142 VanDerWaalsContact CA-O 3.28Å; A89-I142 WeakPolarHBondContact CA-O 3.33Å; A89-L166 HydrophobicContact CB-CD1 4.05Å
90	G	97.4	Very high	94.9	Very high	6 Å²	6	53.9 Å²	53.9	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	173.3	178.8	0	0	0	0	0	111.9	R108 I142	G90-R108 CarbonylContact C-O 3.48Å; G90-R108 WeakPolarHBondContact CA-O 3.33Å; G90-I142 PolarHBondContact N-O 3.27Å; G90-I142 PolarHBondContact O-N 3.12Å
91	R	97.1	Very high	95	Very high	76 Å²	76	56.4 Å²	56.4	29%	0.287	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.9	175.8	-169.7	-178.2	-65.8	-80.5	4.2	110.7	H93 I107 R108 G139 D140	R91-H93 PolarHBondContact O-CD2 2.81Å; R91-H93 PolarHBondContact O-N 2.74Å; R91-I107 CarbonylContact O-C 3.54Å; R91-I107 VanDerWaalsContact O-CA 3.23Å; R91-I107 WeakPolarHBondContact O-CA 3.45Å; R91-R108 PolarHBondContact N-O 2.8Å; R91-R108 PolarHBondContact O-N 2.84Å; R91-G139 VanDerWaalsContact CG-O 3.23Å; R91-G139 WeakPolarHBondContact CG-O 3.23Å; R91-G139 PolarHBondContact NH1-O 2.86Å; R91-D140 CarbonylContact C-O 3.56Å; R91-D140 WeakPolarHBondContact CA-O 3.35Å
92	V	96.6	Very high	95	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.9	174.7	-179.2	0	0	0	0	109.6	A94 Y105 I107 I136 G139 D140 I142	V92-A94 WeakPolarHBondContact CG1-O 3.24Å; V92-Y105 HydrophobicContact CG1-CD1 3.89Å; V92-Y105 HydrophobicContact CG2-CD1 4.32Å; V92-I107 HydrophobicContact CG2-CG2 4.36Å; V92-I136 HydrophobicContact CG2-CG2 3.9Å; V92-G139 WeakPolarHBondContact O-CA 3.45Å; V92-G139 PolarHBondContact O-N 3.41Å; V92-D140 PolarHBondContact N-O 2.96Å; V92-I142 HydrophobicContact CG2-CD1 3.69Å; V92-I142 HydrophobicContact CG2-CG1 3.88Å; V92-I142 HydrophobicContact CG2-CG2 3.96Å
93	H	92.6	Very high	95.3	Very high	16 Å²	16	51.8 Å²	51.8	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-16.4	175.6	-85.5	-124	0	0	0	113.2	R91 D106 R108 L138 L195	R91-H93 PolarHBondContact O-CD2 2.81Å; R91-H93 PolarHBondContact O-N 2.74Å; H93-D106 PolarHBondContact N-O 3.36Å; H93-R108 HydrophobicContact CB-CG 4.19Å; H93-R108 WeakPolarHBondContact ND1-CD 3.34Å; H93-R108 PolarHBondContact ND1-NE 2.73Å; H93-L138 WeakPolarHBondContact O-CD1 3.42Å; H93-L195 PolarHBondContact CE1-O 2.82Å; H93-L195 WeakPolarHBondContact NE2-CD1 3.24Å
94	A	93	Very high	95.5	Very high	28 Å²	28	46.8 Å²	46.8	23%	0.231	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	151.8	168.2	0	0	0	0	0	110.5	V92 Y105 D106	V92-A94 WeakPolarHBondContact CG1-O 3.24Å; A94-Y105 WeakPolarHBondContact O-CA 3.47Å; A94-D106 HydrophobicContact CB-CB 3.97Å; A94-D106 PolarHBondContact N-O 3.07Å; A94-D106 PolarHBondContact O-N 2.67Å
95	K	94.6	Very high	95.6	Very high	59 Å²	59	44.9 Å²	44.9	26%	0.257	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.9	173.5	178.5	-177.2	-176.9	-174	0	108.2	I103 F104 Y105 N133 I136	K95-I103 HydrophobicContact CG-CG2 4.25Å; K95-F104 WeakPolarHBondContact CA-O 3.39Å; K95-Y105 HydrophobicContact CB-CD1 4.03Å; K95-Y105 HydrophobicContact CB-CE1 4.06Å; K95-Y105 HydrophobicContact CD-CE1 3.72Å; K95-Y105 HydrophobicContact CG-CD1 3.96Å; K95-Y105 HydrophobicContact CG-CE1 3.53Å; K95-N133 WeakPolarHBondContact CE-O 3.5Å; K95-N133 PolarHBondContact NZ-O 3.13Å; K95-I136 PolarHBondContact NZ-O 2.9Å
96	R	94.3	Very high	95.6	Very high	122 Å²	122	41.4 Å²	41.4	46%	0.46	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	125.9	-176.3	-66.8	178.4	-73.8	171.8	-2.8	110.1	F104 D106	R96-F104 HydrophobicContact CB-CB 4.49Å; R96-F104 PolarHBondContact N-O 2.87Å; R96-F104 PolarHBondContact O-N 3.18Å; R96-D106 IonicContact CZ-OD2 3.31Å; R96-D106 IonicContact NE-OD2 2.73Å; R96-D106 IonicContact NH2-OD1 3.62Å; R96-D106 IonicContact NH2-OD2 3.26Å; R96-D106 PolarHBondContact NH2-OD2 2.93Å
97	S	93.4	Very high	95.5	Very high	86 Å²	86	40.9 Å²	40.9	60%	0.601	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.1	179.7	-52.4	0	0	0	0	110.6
98	A	92	Very high	95.3	Very high	60 Å²	60	44.9 Å²	44.9	50%	0.496	25%	0.248	S	C	.	.	S	Bend	trans	-109.9	54.6	172.4	0	0	0	0	0	109.8	L102 F104	A98-L102 HydrophobicContact CB-CB 4.41Å; A98-L102 HydrophobicContact CB-CD2 4.12Å; A98-L102 HydrophobicContact CB-CG 4.27Å; A98-L102 PolarHBondContact N-O 3.02Å; A98-F104 HydrophobicContact CB-CD2 4.23Å; A98-F104 HydrophobicContact CB-CE2 3.72Å
99	G	92	Very high	95	Very high	49 Å²	49	47.1 Å²	47.1	51%	0.505	26%	0.263	S	S	.	.	S	Bend	trans	95.7	178.6	-169.1	0	0	0	0	0	112.9	K101	G99-K101 PolarHBondContact O-N 2.86Å
100	S	91.3	Very high	94.3	Very high	86 Å²	86	51.9 Å²	51.9	60%	0.601	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-10	-177.5	57	0	0	0	0	114.4	F129 H130	S100-F129 WeakPolarHBondContact O-CE1 3.33Å; S100-H130 PolarHBondContact O-CE1 2.94Å
101	K	95.4	Very high	93.6	Very high	127 Å²	127	56.6 Å²	56.6	55%	0.552	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-4.4	-173.5	-63.4	-169.7	179	-167.6	0	113.9	G99 I120	G99-K101 PolarHBondContact O-N 2.86Å; K101-I120 HydrophobicContact CB-CB 4.34Å; K101-I120 HydrophobicContact CB-CG2 3.66Å; K101-I120 HydrophobicContact CD-CG2 4.11Å; K101-I120 HydrophobicContact CG-CG2 3.92Å; K101-I120 PolarHBondContact O-N 3.11Å
102	L	96.4	Very high	93.4	Very high	41 Å²	41	53.9 Å²	53.9	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	117.9	-175.1	-177.2	61.7	0	0	0	110.3	A98 F104 M117 A118 N119	A98-L102 HydrophobicContact CB-CB 4.41Å; A98-L102 HydrophobicContact CB-CD2 4.12Å; A98-L102 HydrophobicContact CB-CG 4.27Å; A98-L102 PolarHBondContact N-O 3.02Å; L102-F104 HydrophobicContact CD1-CE2 4.35Å; L102-F104 HydrophobicContact CD1-CZ 4.13Å; L102-F104 HydrophobicContact CD2-CE2 3.73Å; L102-F104 HydrophobicContact CD2-CZ 3.69Å; L102-F104 HydrophobicContact CG-CD2 4.45Å; L102-F104 HydrophobicContact CG-CE2 3.7Å; L102-F104 HydrophobicContact CG-CZ 3.89Å; L102-M117 HydrophobicContact CD1-CG 3.88Å; L102-A118 WeakPolarHBondContact CA-O 3.47Å; L102-N119 HydrophobicContact CD1-CB 4.05Å
103	I	97.2	Very high	93.3	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.072	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.2	179.1	-59.7	-178	0	0	0	108.6	K95 Y105 A118 F129 N133	K95-I103 HydrophobicContact CG-CG2 4.25Å; I103-Y105 HydrophobicContact CB-CE2 4.41Å; I103-Y105 HydrophobicContact CG2-CD2 4.31Å; I103-Y105 HydrophobicContact CG2-CE1 4.38Å; I103-Y105 HydrophobicContact CG2-CE2 3.71Å; I103-A118 PolarHBondContact N-O 3.47Å; I103-A118 WeakPolarHBondContact O-CA 3.31Å; I103-A118 WeakPolarHBondContact O-CB 3.37Å; I103-A118 PolarHBondContact O-N 2.75Å; I103-F129 HydrophobicContact CG1-CZ 4.38Å; I103-N133 HydrophobicContact CD1-CB 3.65Å
104	F	97.5	Very high	93.5	Very high	39 Å²	39	58.7 Å²	58.7	17%	0.171	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.7	177	-62.6	-86.3	0	0	0	109.4	K95 R96 A98 L102 Q115 V116 M117	K95-F104 WeakPolarHBondContact CA-O 3.39Å; R96-F104 HydrophobicContact CB-CB 4.49Å; R96-F104 PolarHBondContact N-O 2.87Å; R96-F104 PolarHBondContact O-N 3.18Å; A98-F104 HydrophobicContact CB-CD2 4.23Å; A98-F104 HydrophobicContact CB-CE2 3.72Å; L102-F104 HydrophobicContact CD1-CE2 4.35Å; L102-F104 HydrophobicContact CD1-CZ 4.13Å; L102-F104 HydrophobicContact CD2-CE2 3.73Å; L102-F104 HydrophobicContact CD2-CZ 3.69Å; L102-F104 HydrophobicContact CG-CD2 4.45Å; L102-F104 HydrophobicContact CG-CE2 3.7Å; L102-F104 HydrophobicContact CG-CZ 3.89Å; F104-Q115 HydrophobicContact CD1-CG 4.04Å; F104-V116 WeakPolarHBondContact CA-O 3.35Å; F104-M117 HydrophobicContact CD1-CB 4.16Å; F104-M117 HydrophobicContact CD1-CG 4.06Å; F104-M117 HydrophobicContact CE1-CB 4.04Å; F104-M117 HydrophobicContact CE1-CG 3.5Å; F104-M117 VanDerWaalsContact CE1-CG 3.5Å; F104-M117 HydrophobicContact CE1-SD 3.87Å; F104-M117 HydrophobicContact CZ-CG 4.23Å; F104-M117 HydrophobicContact CZ-SD 4.43Å
105	Y	97.7	Very high	93.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.3	166.3	-55.9	-90.2	0	0	0	109.7	V92 A94 K95 I103 Q115 V116 A118 N133 I136 I163	V92-Y105 HydrophobicContact CG1-CD1 3.89Å; V92-Y105 HydrophobicContact CG2-CD1 4.32Å; A94-Y105 WeakPolarHBondContact O-CA 3.47Å; K95-Y105 HydrophobicContact CB-CD1 4.03Å; K95-Y105 HydrophobicContact CB-CE1 4.06Å; K95-Y105 HydrophobicContact CD-CE1 3.72Å; K95-Y105 HydrophobicContact CG-CD1 3.96Å; K95-Y105 HydrophobicContact CG-CE1 3.53Å; I103-Y105 HydrophobicContact CB-CE2 4.41Å; I103-Y105 HydrophobicContact CG2-CD2 4.31Å; I103-Y105 HydrophobicContact CG2-CE1 4.38Å; I103-Y105 HydrophobicContact CG2-CE2 3.71Å; Y105-Q115 CarbonylContact O-C 3.53Å; Y105-Q115 WeakPolarHBondContact O-CA 3.28Å; Y105-V116 HydrophobicContact CD2-CB 4.33Å; Y105-V116 HydrophobicContact CD2-CG1 4.34Å; Y105-V116 PolarHBondContact N-O 3.03Å; Y105-V116 PolarHBondContact O-N 2.9Å; Y105-A118 HydrophobicContact CE2-CB 4.29Å; Y105-N133 WeakPolarHBondContact CE2-OD1 3.31Å; Y105-N133 PolarHBondContact OH-OD1 3.3Å; Y105-I136 HydrophobicContact CD1-CG2 4.16Å; Y105-I136 HydrophobicContact CE1-CB 4.19Å; Y105-I136 HydrophobicContact CE1-CG2 3.55Å; Y105-I163 HydrophobicContact CD2-CD1 4.37Å; Y105-I163 HydrophobicContact CE2-CD1 4.09Å
106	D	96.1	Very high	93.9	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.053	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.7	163.8	-70.9	-56.9	0	0	0	107.5	H93 A94 R96 R113	H93-D106 PolarHBondContact N-O 3.36Å; A94-D106 HydrophobicContact CB-CB 3.97Å; A94-D106 PolarHBondContact N-O 3.07Å; A94-D106 PolarHBondContact O-N 2.67Å; R96-D106 IonicContact CZ-OD2 3.31Å; R96-D106 IonicContact NE-OD2 2.73Å; R96-D106 IonicContact NH2-OD1 3.62Å; R96-D106 IonicContact NH2-OD2 3.26Å; R96-D106 PolarHBondContact NH2-OD2 2.93Å; D106-R113 VanDerWaalsContact CG-NH2 3.3Å; D106-R113 IonicContact OD1-CZ 2.76Å; D106-R113 VanDerWaalsContact OD1-CZ 3.29Å; D106-R113 IonicContact OD1-NE 3.71Å; D106-R113 PolarHBondContact OD1-NE 3.44Å; D106-R113 IonicContact OD1-NH2 3.62Å; D106-R113 PolarHBondContact OD1-NH2 2.82Å; D106-R113 IonicContact OD2-NH2 2.92Å; D106-R113 PolarHBondContact OD2-NH2 2.88Å
107	I	96.7	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.3	175.4	62.9	167.7	0	0	0	110.6	L65 I88 R91 V92 R113 L114 V116 I142	L65-I107 HydrophobicContact CD2-CD1 4.29Å; L65-I107 HydrophobicContact CD2-CG1 4.3Å; I88-I107 HydrophobicContact CD1-CD1 3.59Å; I88-I107 HydrophobicContact CG1-CD1 4.09Å; R91-I107 CarbonylContact O-C 3.54Å; R91-I107 VanDerWaalsContact O-CA 3.23Å; R91-I107 WeakPolarHBondContact O-CA 3.45Å; V92-I107 HydrophobicContact CG2-CG2 4.36Å; I107-R113 WeakPolarHBondContact O-CA 3.23Å; I107-L114 HydrophobicContact CG1-CB 4.23Å; I107-L114 WeakPolarHBondContact CG1-O 3.15Å; I107-L114 PolarHBondContact N-O 3.15Å; I107-L114 PolarHBondContact O-N 2.92Å; I107-V116 HydrophobicContact CD1-CG2 4Å; I107-V116 HydrophobicContact CG1-CG2 4.06Å; I107-V116 HydrophobicContact CG2-CG2 3.92Å; I107-I142 HydrophobicContact CG2-CD1 3.81Å; I107-I142 HydrophobicContact CG2-CG1 4.01Å
108	R	94.2	Very high	94.3	Very high	101 Å²	101	46 Å²	46	38%	0.381	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.6	172	-61.4	-162.2	-172.7	179	-2.3	111.7	G90 R91 H93 C112 R113	G90-R108 CarbonylContact C-O 3.48Å; G90-R108 WeakPolarHBondContact CA-O 3.33Å; R91-R108 PolarHBondContact N-O 2.8Å; R91-R108 PolarHBondContact O-N 2.84Å; H93-R108 HydrophobicContact CB-CG 4.19Å; H93-R108 WeakPolarHBondContact ND1-CD 3.34Å; H93-R108 PolarHBondContact ND1-NE 2.73Å; R108-C112 VanDerWaalsContact CA-O 3.3Å; R108-C112 WeakPolarHBondContact CA-O 3.41Å; R108-R113 HydrophobicContact CG-CB 4.33Å
109	S	91.5	Very high	94.4	Very high	46 Å²	46	45.3 Å²	45.3	32%	0.322	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	133.1	166.1	-171.5	0	0	0	0	106.5	D111 C112	S109-D111 PolarHBondContact O-N 3.08Å; S109-C112 PolarHBondContact N-O 2.9Å; S109-C112 WeakPolarHBondContact O-CB 3.38Å; S109-C112 PolarHBondContact O-N 3.22Å; S109-C112 VanDerWaalsContact O-N 3.08Å
110	E	83.1	Confident	94.6	Very high	123 Å²	123	43.5 Å²	43.5	58%	0.575	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-130.3	-174.2	-54.9	175.2	174.8	0	0	111
111	D	83.4	Confident	94.8	Very high	106 Å²	106	50.1 Å²	50.1	57%	0.567	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	2.3	176.2	64.3	-16.7	0	0	0	112.9	S109	S109-D111 PolarHBondContact O-N 3.08Å
112	C	92.1	Very high	94.7	Very high	18 Å²	18	46 Å²	46	12%	0.122	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.4	-171.9	-70.7	0	0	0	0	112.5	L65 I69 R108 S109	L65-C112 HydrophobicContact CB-CB 3.85Å; I69-C112 HydrophobicContact CD1-CB 3.76Å; R108-C112 VanDerWaalsContact CA-O 3.3Å; R108-C112 WeakPolarHBondContact CA-O 3.41Å; S109-C112 PolarHBondContact N-O 2.9Å; S109-C112 WeakPolarHBondContact O-CB 3.38Å; S109-C112 PolarHBondContact O-N 3.22Å; S109-C112 VanDerWaalsContact O-N 3.08Å
113	R	94.1	Very high	94.7	Very high	115 Å²	115	44.8 Å²	44.8	43%	0.434	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	168.8	174.9	-176	167.8	-141.3	-11.6	109.8	D106 I107 R108 E155	D106-R113 VanDerWaalsContact CG-NH2 3.3Å; D106-R113 IonicContact OD1-CZ 2.76Å; D106-R113 VanDerWaalsContact OD1-CZ 3.29Å; D106-R113 IonicContact OD1-NE 3.71Å; D106-R113 PolarHBondContact OD1-NE 3.44Å; D106-R113 IonicContact OD1-NH2 3.62Å; D106-R113 PolarHBondContact OD1-NH2 2.82Å; D106-R113 IonicContact OD2-NH2 2.92Å; D106-R113 PolarHBondContact OD2-NH2 2.88Å; I107-R113 WeakPolarHBondContact O-CA 3.23Å; R108-R113 HydrophobicContact CG-CB 4.33Å; R113-E155 IonicContact CZ-OE1 2.76Å; R113-E155 IonicContact NH2-OE1 3.45Å; R113-E155 PolarHBondContact NH2-OE1 2.97Å
114	L	97.5	Very high	94.5	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.7	171.2	-169.9	72.7	0	0	0	111.1	L65 F68 I69 I88 I107 L156 I158	L65-L114 HydrophobicContact CD2-CB 4.36Å; F68-L114 HydrophobicContact CD1-CD1 3.8Å; F68-L114 HydrophobicContact CD1-CD2 3.69Å; F68-L114 HydrophobicContact CD1-CG 4.42Å; F68-L114 HydrophobicContact CE1-CD1 3.71Å; F68-L114 HydrophobicContact CE1-CD2 3.69Å; F68-L114 HydrophobicContact CE1-CG 4.33Å; F68-L114 HydrophobicContact CE2-CD2 4.47Å; F68-L114 HydrophobicContact CG-CD2 4.15Å; F68-L114 HydrophobicContact CZ-CD2 4.09Å; I69-L114 HydrophobicContact CG1-CD1 4.28Å; I88-L114 HydrophobicContact CD1-CD2 3.32Å; I107-L114 HydrophobicContact CG1-CB 4.23Å; I107-L114 WeakPolarHBondContact CG1-O 3.15Å; I107-L114 PolarHBondContact N-O 3.15Å; I107-L114 PolarHBondContact O-N 2.92Å; L114-L156 HydrophobicContact CD1-CB 4.39Å; L114-L156 HydrophobicContact CD1-CD2 3.99Å; L114-L156 HydrophobicContact CD1-CG 3.89Å; L114-I158 HydrophobicContact CD2-CB 4.47Å; L114-I158 HydrophobicContact CD2-CG2 4.31Å
115	Q	98.2	Very high	94.4	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.033	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.9	172.6	176.5	167.8	92.5	0	0	110.7	F104 Y105 E155 S157 I158	F104-Q115 HydrophobicContact CD1-CG 4.04Å; Y105-Q115 CarbonylContact O-C 3.53Å; Y105-Q115 WeakPolarHBondContact O-CA 3.28Å; Q115-E155 HydrophobicContact CB-CG 4.19Å; Q115-E155 PolarHBondContact NE2-OE2 3.41Å; Q115-S157 WeakPolarHBondContact CG-OG 3.2Å; Q115-S157 CarbonylContact O-C 3.42Å; Q115-S157 WeakPolarHBondContact O-CA 3.5Å; Q115-S157 PolarHBondContact OE1-OG 3.45Å; Q115-I158 PolarHBondContact O-N 3.25Å
116	V	98.1	Very high	94.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.1	164.4	-177.5	0	0	0	0	107	F104 Y105 I107 A118 I158 P160 I163	F104-V116 WeakPolarHBondContact CA-O 3.35Å; Y105-V116 HydrophobicContact CD2-CB 4.33Å; Y105-V116 HydrophobicContact CD2-CG1 4.34Å; Y105-V116 PolarHBondContact N-O 3.03Å; Y105-V116 PolarHBondContact O-N 2.9Å; I107-V116 HydrophobicContact CD1-CG2 4Å; I107-V116 HydrophobicContact CG1-CG2 4.06Å; I107-V116 HydrophobicContact CG2-CG2 3.92Å; V116-A118 PolarHBondContact O-N 2.6Å; V116-I158 WeakPolarHBondContact CA-O 3.4Å; V116-I158 HydrophobicContact CB-CG2 4.15Å; V116-I158 HydrophobicContact CG1-CG2 4.16Å; V116-I158 HydrophobicContact CG2-CG2 3.79Å; V116-P160 HydrophobicContact CG1-CB 4.37Å; V116-P160 HydrophobicContact CG1-CG 3.76Å; V116-I163 HydrophobicContact CG1-CD1 4.18Å
117	M	97.6	Very high	94.2	Very high	20 Å²	20	58.4 Å²	58.4	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	81.2	179.4	-178.6	173.2	66.6	0	0	109.4	L102 F104 N119 I158 I159 P160	L102-M117 HydrophobicContact CD1-CG 3.88Å; F104-M117 HydrophobicContact CD1-CB 4.16Å; F104-M117 HydrophobicContact CD1-CG 4.06Å; F104-M117 HydrophobicContact CE1-CB 4.04Å; F104-M117 HydrophobicContact CE1-CG 3.5Å; F104-M117 VanDerWaalsContact CE1-CG 3.5Å; F104-M117 HydrophobicContact CE1-SD 3.87Å; F104-M117 HydrophobicContact CZ-CG 4.23Å; F104-M117 HydrophobicContact CZ-SD 4.43Å; M117-N119 PolarHBondContact O-N 3.01Å; M117-I158 PolarHBondContact N-O 3.37Å; M117-I159 HydrophobicContact CE-CD1 4.09Å; M117-I159 HydrophobicContact CE-CG1 3.52Å; M117-P160 WeakPolarHBondContact O-CD 3.31Å
118	A	97.5	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	104.8	-177.7	0	0	0	0	0	110.9	L102 I103 Y105 V116 F129 P160 I163	L102-A118 WeakPolarHBondContact CA-O 3.47Å; I103-A118 PolarHBondContact N-O 3.47Å; I103-A118 WeakPolarHBondContact O-CA 3.31Å; I103-A118 WeakPolarHBondContact O-CB 3.37Å; I103-A118 PolarHBondContact O-N 2.75Å; Y105-A118 HydrophobicContact CE2-CB 4.29Å; V116-A118 PolarHBondContact O-N 2.6Å; A118-F129 HydrophobicContact CB-CE2 3.94Å; A118-F129 WeakPolarHBondContact O-CE2 3.48Å; A118-P160 HydrophobicContact CB-CG 3.75Å; A118-I163 HydrophobicContact CB-CD1 4.27Å
119	N	95.5	Very high	94.2	Very high	47 Å²	47	57.2 Å²	57.2	25%	0.251	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.8	176.6	-170.4	-38	0	0	0	110	L102 M117 R121 S122 Y123	L102-N119 HydrophobicContact CD1-CB 4.05Å; M117-N119 PolarHBondContact O-N 3.01Å; N119-R121 PolarHBondContact O-N 3.39Å; N119-R121 VanDerWaalsContact O-N 3.09Å; N119-R121 WeakPolarHBondContact OD1-CB 3.21Å; N119-R121 PolarHBondContact OD1-N 2.88Å; N119-S122 PolarHBondContact O-N 3.46Å; N119-Y123 PolarHBondContact O-N 2.86Å
120	I	96	Very high	94.3	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.056	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55.3	-31.2	-179.7	-159.3	170.1	0	0	0	112.9	K101 S122 Y123 E126 F129	K101-I120 HydrophobicContact CB-CB 4.34Å; K101-I120 HydrophobicContact CB-CG2 3.66Å; K101-I120 HydrophobicContact CD-CG2 4.11Å; K101-I120 HydrophobicContact CG-CG2 3.92Å; K101-I120 PolarHBondContact O-N 3.11Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3.08Å; I120-Y123 PolarHBondContact O-N 3.49Å; I120-E126 HydrophobicContact CD1-CB 3.91Å; I120-E126 HydrophobicContact CD1-CG 3.8Å; I120-E126 HydrophobicContact CG1-CB 4.24Å; I120-E126 HydrophobicContact CG1-CG 3.93Å; I120-F129 HydrophobicContact CB-CD1 4.02Å; I120-F129 HydrophobicContact CB-CD2 4.37Å; I120-F129 HydrophobicContact CB-CE1 4.12Å; I120-F129 HydrophobicContact CB-CE2 4.44Å; I120-F129 HydrophobicContact CB-CG 4.15Å; I120-F129 HydrophobicContact CB-CZ 4.32Å; I120-F129 HydrophobicContact CD1-CD1 3.99Å; I120-F129 HydrophobicContact CG1-CB 4.13Å; I120-F129 HydrophobicContact CG1-CD1 3.8Å; I120-F129 HydrophobicContact CG1-CE1 4.36Å; I120-F129 HydrophobicContact CG1-CG 3.9Å
121	R	94.2	Very high	94.8	Very high	224 Å²	224	55.3 Å²	55.3	85%	0.845	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-71	-25.4	-179.4	-66.1	-176.6	178.2	-178.6	-1.1	114	N119	N119-R121 PolarHBondContact O-N 3.39Å; N119-R121 VanDerWaalsContact O-N 3.09Å; N119-R121 WeakPolarHBondContact OD1-CB 3.21Å; N119-R121 PolarHBondContact OD1-N 2.88Å
122	S	93.4	Very high	95.4	Very high	40 Å²	40	51.1 Å²	51.1	28%	0.28	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-100.4	-3.8	-178.3	-58	0	0	0	0	112.3	N119 I120 H161	N119-S122 PolarHBondContact O-N 3.46Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3.08Å; S122-H161 WeakPolarHBondContact O-CA 3.5Å; S122-H161 PolarHBondContact O-ND1 3.43Å
123	Y	96.3	Very high	95.5	Very high	17 Å²	17	50.8 Å²	50.8	7%	0.067	24%	0.24	C	C	.	.	S	Bend	trans	-89.2	152.4	-176.9	-146.2	-100.6	0	0	0	111.4	N119 I120 S125 E128 F129 I132 P160 I163	N119-Y123 PolarHBondContact O-N 2.86Å; I120-Y123 PolarHBondContact O-N 3.49Å; Y123-S125 VanDerWaalsContact C-N 3.28Å; Y123-S125 PolarHBondContact O-N 3.06Å; Y123-E128 HydrophobicContact CE1-CB 4.09Å; Y123-F129 HydrophobicContact CD1-CB 3.63Å; Y123-F129 HydrophobicContact CD1-CD2 4.27Å; Y123-F129 HydrophobicContact CD1-CG 4.47Å; Y123-F129 AromaticContact CD2-CD2 3.99Å; Y123-F129 HydrophobicContact CD2-CD2 3.99Å; Y123-F129 HydrophobicContact CE1-CB 4.25Å; Y123-F129 HydrophobicContact CG-CB 3.96Å; Y123-F129 AromaticContact CG-CD2 3.8Å; Y123-F129 HydrophobicContact CG-CD2 3.8Å; Y123-F129 HydrophobicContact CG-CG 4.39Å; Y123-I132 HydrophobicContact CE1-CG2 4.27Å; Y123-I132 WeakPolarHBondContact OH-CG2 3.17Å; Y123-P160 HydrophobicContact CD2-CB 4.46Å; Y123-P160 HydrophobicContact CD2-CG 4.43Å; Y123-P160 WeakPolarHBondContact CD2-O 3.49Å; Y123-P160 HydrophobicContact CE2-CB 4.21Å; Y123-P160 HydrophobicContact CE2-CG 4.39Å; Y123-I163 HydrophobicContact CE2-CD1 4.4Å; Y123-I163 HydrophobicContact CE2-CG1 4.14Å; Y123-I163 PolarHBondContact OH-N 3.36Å
124	K	93.8	Very high	95.5	Very high	93 Å²	93	52.3 Å²	52.3	40%	0.404	25%	0.252	S	S	.	.	S	Bend	trans	-56.5	-34.1	-176.3	56.9	179	164.9	168.3	0	115.3	E128 H161 E162	K124-E128 WeakPolarHBondContact CD-OE1 3.31Å; K124-E128 WeakPolarHBondContact CD-OE2 3.4Å; K124-E128 WeakPolarHBondContact CE-OE2 3.43Å; K124-E128 HydrophobicContact CG-CB 4.31Å; K124-E128 IonicContact NZ-OE2 3.39Å; K124-E128 PolarHBondContact NZ-OE2 2.94Å; K124-H161 PolarHBondContact N-O 2.97Å; K124-H161 VanDerWaalsContact N-O 3.08Å; K124-E162 HydrophobicContact CD-CG 4.47Å; K124-E162 IonicContact NZ-OE1 2.81Å; K124-E162 PolarHBondContact NZ-OE1 2.8Å
125	S	95.1	Very high	95.4	Very high	36 Å²	36	53.4 Å²	53.4	25%	0.252	26%	0.258	S	S	.	.			trans	-159	153.3	173.6	68.1	0	0	0	0	111.1	Y123 T127 E128 F129	Y123-S125 VanDerWaalsContact C-N 3.28Å; Y123-S125 PolarHBondContact O-N 3.06Å; S125-T127 VanDerWaalsContact C-N 3.32Å; S125-T127 PolarHBondContact O-N 2.71Å; S125-E128 PolarHBondContact O-N 2.81Å; S125-E128 VanDerWaalsContact OG-CB 3.24Å; S125-E128 WeakPolarHBondContact OG-CB 3.22Å; S125-E128 WeakPolarHBondContact OG-CG 3.38Å; S125-E128 PolarHBondContact OG-N 2.79Å; S125-E128 VanDerWaalsContact OG-N 3.15Å; S125-E128 PolarHBondContact OG-OE1 3.45Å; S125-F129 WeakPolarHBondContact O-CB 3.41Å; S125-F129 PolarHBondContact O-N 2.79Å
126	E	94.9	Very high	95.3	Very high	122 Å²	122	53 Å²	53	57%	0.57	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-40.2	176.9	-61.8	-159.9	154.1	0	0	111.5	I120 F129 H130	I120-E126 HydrophobicContact CD1-CB 3.91Å; I120-E126 HydrophobicContact CD1-CG 3.8Å; I120-E126 HydrophobicContact CG1-CB 4.24Å; I120-E126 HydrophobicContact CG1-CG 3.93Å; E126-F129 WeakPolarHBondContact O-CB 3.28Å; E126-F129 PolarHBondContact O-N 2.84Å; E126-H130 PolarHBondContact O-CD2 3.37Å; E126-H130 PolarHBondContact O-N 2.85Å
127	T	94.4	Very high	95.1	Very high	97 Å²	97	54.4 Å²	54.4	60%	0.595	26%	0.263	S	S	*	.	H	α-helix	trans	-62.5	-49.4	177.9	-52.6	0	0	0	0	111.6	S125 F129 H130 D131	S125-T127 VanDerWaalsContact C-N 3.32Å; S125-T127 PolarHBondContact O-N 2.71Å; T127-F129 VanDerWaalsContact C-N 3.26Å; T127-F129 PolarHBondContact O-N 2.83Å; T127-H130 PolarHBondContact O-N 3.42Å; T127-H130 VanDerWaalsContact O-N 3.15Å; T127-D131 PolarHBondContact O-N 2.91Å
128	E	94	Very high	94.9	Very high	77 Å²	77	55.7 Å²	55.7	36%	0.36	27%	0.269	S	S	.	.	H	α-helix	trans	-69	-28.5	-179.6	-67.8	175.4	-88.3	0	0	112.3	Y123 K124 S125 I132	Y123-E128 HydrophobicContact CE1-CB 4.09Å; K124-E128 WeakPolarHBondContact CD-OE1 3.31Å; K124-E128 WeakPolarHBondContact CD-OE2 3.4Å; K124-E128 WeakPolarHBondContact CE-OE2 3.43Å; K124-E128 HydrophobicContact CG-CB 4.31Å; K124-E128 IonicContact NZ-OE2 3.39Å; K124-E128 PolarHBondContact NZ-OE2 2.94Å; S125-E128 PolarHBondContact O-N 2.81Å; S125-E128 VanDerWaalsContact OG-CB 3.24Å; S125-E128 WeakPolarHBondContact OG-CB 3.22Å; S125-E128 WeakPolarHBondContact OG-CG 3.38Å; S125-E128 PolarHBondContact OG-N 2.79Å; S125-E128 VanDerWaalsContact OG-N 3.15Å; S125-E128 PolarHBondContact OG-OE1 3.45Å; E128-I132 WeakPolarHBondContact O-CB 3.31Å; E128-I132 WeakPolarHBondContact O-CG2 3.43Å; E128-I132 PolarHBondContact O-N 3.49Å
129	F	96.8	Very high	94.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-46.5	170.4	179	-91.7	0	0	0	111.1	S100 I103 A118 I120 Y123 S125 E126 T127 I132 N133	S100-F129 WeakPolarHBondContact O-CE1 3.33Å; I103-F129 HydrophobicContact CG1-CZ 4.38Å; A118-F129 HydrophobicContact CB-CE2 3.94Å; A118-F129 WeakPolarHBondContact O-CE2 3.48Å; I120-F129 HydrophobicContact CB-CD1 4.02Å; I120-F129 HydrophobicContact CB-CD2 4.37Å; I120-F129 HydrophobicContact CB-CE1 4.12Å; I120-F129 HydrophobicContact CB-CE2 4.44Å; I120-F129 HydrophobicContact CB-CG 4.15Å; I120-F129 HydrophobicContact CB-CZ 4.32Å; I120-F129 HydrophobicContact CD1-CD1 3.99Å; I120-F129 HydrophobicContact CG1-CB 4.13Å; I120-F129 HydrophobicContact CG1-CD1 3.8Å; I120-F129 HydrophobicContact CG1-CE1 4.36Å; I120-F129 HydrophobicContact CG1-CG 3.9Å; Y123-F129 HydrophobicContact CD1-CB 3.63Å; Y123-F129 HydrophobicContact CD1-CD2 4.27Å; Y123-F129 HydrophobicContact CD1-CG 4.47Å; Y123-F129 AromaticContact CD2-CD2 3.99Å; Y123-F129 HydrophobicContact CD2-CD2 3.99Å; Y123-F129 HydrophobicContact CE1-CB 4.25Å; Y123-F129 HydrophobicContact CG-CB 3.96Å; Y123-F129 AromaticContact CG-CD2 3.8Å; Y123-F129 HydrophobicContact CG-CD2 3.8Å; Y123-F129 HydrophobicContact CG-CG 4.39Å; S125-F129 WeakPolarHBondContact O-CB 3.41Å; S125-F129 PolarHBondContact O-N 2.79Å; E126-F129 WeakPolarHBondContact O-CB 3.28Å; E126-F129 PolarHBondContact O-N 2.84Å; T127-F129 VanDerWaalsContact C-N 3.26Å; T127-F129 PolarHBondContact O-N 2.83Å; F129-I132 WeakPolarHBondContact O-CG2 3.26Å; F129-N133 WeakPolarHBondContact CD2-ND2 3.16Å; F129-N133 VanDerWaalsContact CE1-ND2 3.33Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.46Å; F129-N133 VanDerWaalsContact CE2-ND2 3.31Å; F129-N133 WeakPolarHBondContact CE2-ND2 3.41Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.45Å; F129-N133 VanDerWaalsContact O-CB 3.29Å; F129-N133 WeakPolarHBondContact O-CB 3.19Å; F129-N133 PolarHBondContact O-N 2.91Å; F129-N133 PolarHBondContact O-ND2 2.89Å
130	H	95.3	Very high	94.9	Very high	76 Å²	76	53.4 Å²	53.4	35%	0.352	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-49.1	177.6	-71.9	-59.2	0	0	0	111.6	S100 E126 T127 I132 N133 E134	S100-H130 PolarHBondContact O-CE1 2.94Å; E126-H130 PolarHBondContact O-CD2 3.37Å; E126-H130 PolarHBondContact O-N 2.85Å; T127-H130 PolarHBondContact O-N 3.42Å; T127-H130 VanDerWaalsContact O-N 3.15Å; H130-I132 PolarHBondContact O-N 2.94Å; H130-N133 PolarHBondContact O-N 2.77Å; H130-E134 PolarHBondContact O-N 3.5Å
131	D	93.4	Very high	95	Very high	53 Å²	53	55.3 Å²	55.3	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-54.7	-50.7	-179.2	-75	6.2	0	0	0	113.1	K52 T127 N133 E134 I135	K52-D131 IonicContact NZ-OD2 3.18Å; K52-D131 PolarHBondContact NZ-OD2 2.76Å; T127-D131 PolarHBondContact O-N 2.91Å; D131-N133 VanDerWaalsContact C-N 3.3Å; D131-N133 PolarHBondContact O-N 3.06Å; D131-E134 PolarHBondContact O-N 3.4Å; D131-I135 WeakPolarHBondContact O-CD1 3.42Å; D131-I135 VanDerWaalsContact O-CG1 3.28Å; D131-I135 WeakPolarHBondContact O-CG1 3.35Å; D131-I135 PolarHBondContact O-N 3.45Å
132	I	95.1	Very high	95.2	Very high	18 Å²	18	44.7 Å²	44.7	9%	0.092	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-35	-175.8	-166.2	55.2	0	0	0	111.8	Y123 E128 F129 H130 E134 I135 I136 I163	Y123-I132 HydrophobicContact CE1-CG2 4.27Å; Y123-I132 WeakPolarHBondContact OH-CG2 3.17Å; E128-I132 WeakPolarHBondContact O-CB 3.31Å; E128-I132 WeakPolarHBondContact O-CG2 3.43Å; E128-I132 PolarHBondContact O-N 3.49Å; F129-I132 WeakPolarHBondContact O-CG2 3.26Å; H130-I132 PolarHBondContact O-N 2.94Å; I132-E134 VanDerWaalsContact C-N 3.28Å; I132-E134 PolarHBondContact O-N 2.8Å; I132-I135 PolarHBondContact O-N 2.97Å; I132-I136 HydrophobicContact CD1-CD1 4.02Å; I132-I136 HydrophobicContact CD1-CG1 4.22Å; I132-I136 HydrophobicContact CG1-CD1 3.69Å; I132-I136 HydrophobicContact CG1-CG1 4.32Å; I132-I136 WeakPolarHBondContact O-CG1 3.07Å; I132-I136 PolarHBondContact O-N 3.37Å; I132-I136 VanDerWaalsContact O-N 3.07Å; I132-I163 HydrophobicContact CG1-CB 4.04Å; I132-I163 HydrophobicContact CG1-CG2 4.26Å
133	N	95.6	Very high	95.4	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-76.5	-18.8	-178.8	-72	-42	0	0	0	111.7	K95 I103 Y105 F129 H130 D131	K95-N133 WeakPolarHBondContact CE-O 3.5Å; K95-N133 PolarHBondContact NZ-O 3.13Å; I103-N133 HydrophobicContact CD1-CB 3.65Å; Y105-N133 WeakPolarHBondContact CE2-OD1 3.31Å; Y105-N133 PolarHBondContact OH-OD1 3.3Å; F129-N133 WeakPolarHBondContact CD2-ND2 3.16Å; F129-N133 VanDerWaalsContact CE1-ND2 3.33Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.46Å; F129-N133 VanDerWaalsContact CE2-ND2 3.31Å; F129-N133 WeakPolarHBondContact CE2-ND2 3.41Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.45Å; F129-N133 VanDerWaalsContact O-CB 3.29Å; F129-N133 WeakPolarHBondContact O-CB 3.19Å; F129-N133 PolarHBondContact O-N 2.91Å; F129-N133 PolarHBondContact O-ND2 2.89Å; H130-N133 PolarHBondContact O-N 2.77Å; D131-N133 VanDerWaalsContact C-N 3.3Å; D131-N133 PolarHBondContact O-N 3.06Å
134	E	93.3	Very high	95.5	Very high	147 Å²	147	42 Å²	42	69%	0.687	21%	0.211	S	C	*	.	H	α-helix	trans	-78.3	-35.5	166.7	-71.6	-178.2	176.5	0	0	111.8	H130 D131 I132	H130-E134 PolarHBondContact O-N 3.5Å; D131-E134 PolarHBondContact O-N 3.4Å; I132-E134 VanDerWaalsContact C-N 3.28Å; I132-E134 PolarHBondContact O-N 2.8Å
135	I	94.2	Very high	95.7	Very high	26 Å²	26	38.7 Å²	38.7	13%	0.133	20%	0.199	C	C	.	.	H	α-helix	trans	-71.2	-43.1	-178.1	-69.7	165.8	0	0	0	113	R40 L47 K52 D131 I132 H137 L165	R40-I135 PolarHBondContact NH1-O 3.46Å; R40-I135 VanDerWaalsContact NH1-O 3.09Å; L47-I135 HydrophobicContact CD1-CD1 4.48Å; L47-I135 HydrophobicContact CD1-CG1 4.17Å; L47-I135 HydrophobicContact CD1-CG2 3.82Å; L47-I135 HydrophobicContact CD2-CD1 3.67Å; L47-I135 HydrophobicContact CD2-CG1 3.98Å; K52-I135 HydrophobicContact CD-CD1 4.19Å; D131-I135 WeakPolarHBondContact O-CD1 3.42Å; D131-I135 VanDerWaalsContact O-CG1 3.28Å; D131-I135 WeakPolarHBondContact O-CG1 3.35Å; D131-I135 PolarHBondContact O-N 3.45Å; I132-I135 PolarHBondContact O-N 2.97Å; I135-H137 PolarHBondContact O-CD2 3.21Å; I135-L165 HydrophobicContact CG2-CB 4.4Å; I135-L165 HydrophobicContact CG2-CD2 3.68Å
136	I	96.3	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.			trans	-76.4	126.5	-172.3	-65.7	167.7	0	0	0	111.1	V92 K95 Y105 I132 D140 I142 I163	V92-I136 HydrophobicContact CG2-CG2 3.9Å; K95-I136 PolarHBondContact NZ-O 2.9Å; Y105-I136 HydrophobicContact CD1-CG2 4.16Å; Y105-I136 HydrophobicContact CE1-CB 4.19Å; Y105-I136 HydrophobicContact CE1-CG2 3.55Å; I132-I136 HydrophobicContact CD1-CD1 4.02Å; I132-I136 HydrophobicContact CD1-CG1 4.22Å; I132-I136 HydrophobicContact CG1-CD1 3.69Å; I132-I136 HydrophobicContact CG1-CG1 4.32Å; I132-I136 WeakPolarHBondContact O-CG1 3.07Å; I132-I136 PolarHBondContact O-N 3.37Å; I132-I136 VanDerWaalsContact O-N 3.07Å; I136-D140 WeakPolarHBondContact CA-OD2 3.37Å; I136-D140 HydrophobicContact CG2-CB 4.5Å; I136-I142 HydrophobicContact CD1-CG2 3.96Å; I136-I142 HydrophobicContact CG1-CG2 4.05Å; I136-I142 HydrophobicContact CG2-CG2 4.19Å; I136-I163 HydrophobicContact CD1-CB 4.39Å; I136-I163 HydrophobicContact CD1-CG2 3.47Å; I136-I163 VanDerWaalsContact CD1-CG2 3.47Å
137	H	94.6	Very high	95.9	Very high	29 Å²	29	31.2 Å²	31.2	13%	0.134	16%	0.161	C	C	.	.			trans	-119.5	177.7	168.9	-63.6	-141.3	0	0	0	111.7	E28 Y36 R40 I135 D140	E28-H137 IonicContact OE1-CE1 2.74Å; E28-H137 IonicContact OE1-CG 2.87Å; E28-H137 IonicContact OE1-ND1 3.95Å; E28-H137 PolarHBondContact OE1-ND1 3.12Å; E28-H137 IonicContact OE2-CE1 3.65Å; E28-H137 IonicContact OE2-CG 3.29Å; E28-H137 IonicContact OE2-ND1 4Å; E28-H137 PolarHBondContact OE2-ND1 2.78Å; Y36-H137 PolarHBondContact OH-ND1 3.16Å; R40-H137 VanDerWaalsContact CZ-CB 3.47Å; R40-H137 PolarHBondContact NH1-CD2 3.47Å; R40-H137 PolarHBondContact NH1-NE2 3.15Å; R40-H137 VanDerWaalsContact NH2-CB 3.27Å; I135-H137 PolarHBondContact O-CD2 3.21Å; H137-D140 PolarHBondContact N-OD2 3.2Å; H137-D140 WeakPolarHBondContact O-CB 3.39Å; H137-D140 PolarHBondContact O-N 3.18Å
138	L	93.6	Very high	96.1	Very high	46 Å²	46	26.6 Å²	26.6	24%	0.241	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	137.7	170.9	-177.2	65.4	0	0	0	111	H93 D140 L173	H93-L138 WeakPolarHBondContact O-CD1 3.42Å; L138-D140 VanDerWaalsContact C-N 3.31Å; L138-D140 PolarHBondContact O-N 3.45Å; L138-L173 HydrophobicContact CD2-CB 4.31Å; L138-L173 HydrophobicContact CG-CD1 4.26Å
139	G	94.9	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-12.9	179.6	0	0	0	0	0	115	R91 V92 C169	R91-G139 VanDerWaalsContact CG-O 3.23Å; R91-G139 WeakPolarHBondContact CG-O 3.23Å; R91-G139 PolarHBondContact NH1-O 2.86Å; V92-G139 WeakPolarHBondContact O-CA 3.45Å; V92-G139 PolarHBondContact O-N 3.41Å; G139-C169 WeakPolarHBondContact O-CB 3.48Å
140	D	97.7	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.			trans	-64.4	143.8	178.5	-69.9	-9.7	0	0	0	111.5	R40 R91 V92 I136 H137 L138 I142 L165 P168 C169	R40-D140 IonicContact CZ-OD2 3.1Å; R40-D140 IonicContact NH2-OD1 3.65Å; R40-D140 PolarHBondContact NH2-OD1 2.95Å; R40-D140 IonicContact NH2-OD2 3.68Å; R40-D140 PolarHBondContact NH2-OD2 3.32Å; R91-D140 CarbonylContact C-O 3.56Å; R91-D140 WeakPolarHBondContact CA-O 3.35Å; V92-D140 PolarHBondContact N-O 2.96Å; I136-D140 WeakPolarHBondContact CA-OD2 3.37Å; I136-D140 HydrophobicContact CG2-CB 4.5Å; H137-D140 PolarHBondContact N-OD2 3.2Å; H137-D140 WeakPolarHBondContact O-CB 3.39Å; H137-D140 PolarHBondContact O-N 3.18Å; L138-D140 VanDerWaalsContact C-N 3.31Å; L138-D140 PolarHBondContact O-N 3.45Å; D140-I142 HydrophobicContact CB-CG2 4.31Å; D140-L165 HydrophobicContact CB-CD1 3.8Å; D140-P168 VanDerWaalsContact OD1-CA 3.31Å; D140-P168 WeakPolarHBondContact OD1-CA 3.36Å; D140-C169 PolarHBondContact OD1-N 3.47Å
141	I	98.1	Very high	96.2	Very high	51 Å²	51	21.4 Å²	21.4	26%	0.262	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.7	167.6	-54.8	-178	0	0	0	107.8	L166 S167	I141-L166 HydrophobicContact CB-CB 4.43Å; I141-L166 HydrophobicContact CG2-CB 4.09Å; I141-L166 HydrophobicContact CG2-CD1 4.23Å; I141-L166 WeakPolarHBondContact O-CA 3.42Å; I141-L166 WeakPolarHBondContact O-CB 3.49Å; I141-L166 PolarHBondContact O-N 2.73Å; I141-S167 PolarHBondContact N-O 3.13Å; I141-S167 PolarHBondContact O-N 3.36Å
142	I	98.4	Very high	96.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.1	-179	66.4	169.5	0	0	0	111.4	A89 G90 V92 I107 I136 D140 I163 K164	A89-I142 VanDerWaalsContact CA-O 3.28Å; A89-I142 WeakPolarHBondContact CA-O 3.33Å; G90-I142 PolarHBondContact N-O 3.27Å; G90-I142 PolarHBondContact O-N 3.12Å; V92-I142 HydrophobicContact CG2-CD1 3.69Å; V92-I142 HydrophobicContact CG2-CG1 3.88Å; V92-I142 HydrophobicContact CG2-CG2 3.96Å; I107-I142 HydrophobicContact CG2-CD1 3.81Å; I107-I142 HydrophobicContact CG2-CG1 4.01Å; I136-I142 HydrophobicContact CD1-CG2 3.96Å; I136-I142 HydrophobicContact CG1-CG2 4.05Å; I136-I142 HydrophobicContact CG2-CG2 4.19Å; D140-I142 HydrophobicContact CB-CG2 4.31Å; I142-I163 HydrophobicContact CB-CG2 4.05Å; I142-I163 HydrophobicContact CD1-CG2 3.92Å; I142-I163 HydrophobicContact CG1-CG2 4.5Å; I142-I163 HydrophobicContact CG2-CG2 4.45Å; I142-K164 CarbonylContact C-O 3.54Å; I142-K164 VanDerWaalsContact CA-O 3.27Å; I142-K164 WeakPolarHBondContact CA-O 3.4Å
143	G	98.2	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.2	166.1	0	0	0	0	0	108.8	I88 I163 K164	I88-G143 CarbonylContact O-C 3.48Å; I88-G143 WeakPolarHBondContact O-CA 3.48Å; G143-I163 CarbonylContact O-C 3.58Å; G143-I163 WeakPolarHBondContact O-CA 3.02Å; G143-K164 PolarHBondContact N-O 2.58Å; G143-K164 PolarHBondContact O-N 2.92Å
144	C	97.8	Very high	96.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.3	-175.7	177.8	0	0	0	0	109.3	S87 I88 I158	S87-C144 CarbonylContact C-O 3.54Å; S87-C144 VanDerWaalsContact CA-O 3.28Å; S87-C144 WeakPolarHBondContact CA-O 3.37Å; I88-C144 HydrophobicContact CG1-CB 3.98Å; I88-C144 PolarHBondContact N-O 3Å; I88-C144 PolarHBondContact O-N 2.71Å; C144-I158 VanDerWaalsContact SG-CG2 3.57Å
145	S	98.1	Very high	96.2	Very high	24 Å²	24	32 Å²	32	17%	0.168	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.7	175.5	-61.1	0	0	0	0	109.1	V86 S87 P160 H161 E162	V86-S145 WeakPolarHBondContact O-CA 3.23Å; S87-S145 WeakPolarHBondContact OG-CB 3.42Å; S87-S145 PolarHBondContact OG-OG 3.18Å; S145-P160 WeakPolarHBondContact O-CA 3.5Å; S145-H161 PolarHBondContact O-N 3.03Å; S145-E162 PolarHBondContact N-O 2.97Å; S145-E162 PolarHBondContact O-N 3.19Å; S145-E162 VanDerWaalsContact O-N 3.15Å
146	G	97.7	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-170	-170.7	0	0	0	0	0	114.4	V86 I159	V86-G146 PolarHBondContact N-O 3.04Å; V86-G146 PolarHBondContact O-N 3.39Å; V86-G146 VanDerWaalsContact O-O 3.14Å; G146-I159 CarbonylContact C-O 3.59Å; G146-I159 WeakPolarHBondContact CA-O 3.3Å
147	S	97.7	Very high	96.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.5	-178	-66.1	0	0	0	0	112	L81 V84 I158 I159 H161	L81-S147 VanDerWaalsContact O-CB 3.31Å; L81-S147 WeakPolarHBondContact O-CB 3.34Å; L81-S147 PolarHBondContact O-OG 3.4Å; V84-S147 WeakPolarHBondContact O-CA 3.14Å; V84-S147 PolarHBondContact O-OG 3.12Å; S147-I158 WeakPolarHBondContact O-CA 3.19Å; S147-I159 PolarHBondContact N-O 2.71Å; S147-I159 WeakPolarHBondContact O-CD1 3.48Å; S147-I159 PolarHBondContact O-N 3.04Å; S147-H161 PolarHBondContact OG-NE2 3.08Å
148	P	98.1	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	144	170	-17.8	30.4	0	0	0	111.9	F68 Y72 L75 L81 V84 V86	F68-P148 HydrophobicContact CE2-CB 4.12Å; F68-P148 HydrophobicContact CE2-CG 4Å; F68-P148 HydrophobicContact CZ-CB 3.77Å; F68-P148 HydrophobicContact CZ-CG 4.17Å; Y72-P148 HydrophobicContact CD1-CB 3.76Å; Y72-P148 HydrophobicContact CD1-CG 4Å; Y72-P148 HydrophobicContact CD2-CB 3.91Å; Y72-P148 HydrophobicContact CD2-CG 3.94Å; Y72-P148 HydrophobicContact CE1-CB 4.01Å; Y72-P148 HydrophobicContact CE1-CG 3.71Å; Y72-P148 HydrophobicContact CE2-CB 4.17Å; Y72-P148 HydrophobicContact CE2-CG 3.67Å; Y72-P148 HydrophobicContact CG-CB 3.72Å; Y72-P148 HydrophobicContact CG-CG 4.12Å; L75-P148 HydrophobicContact CD1-CB 4.39Å; L81-P148 HydrophobicContact CD1-CB 4.39Å; L81-P148 PolarHBondContact N-O 3.09Å; V84-P148 HydrophobicContact CG1-CG 4Å; V84-P148 WeakPolarHBondContact O-CD 3.31Å; V86-P148 HydrophobicContact CG2-CG 3.95Å
149	G	97.4	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	-178.8	172.1	0	0	0	0	0	113.1	E79 S157	E79-G149 CarbonylContact O-C 3.53Å; E79-G149 WeakPolarHBondContact O-CA 3.26Å; G149-S157 PolarHBondContact N-O 3.41Å; G149-S157 PolarHBondContact O-N 3.35Å
150	K	97	Very high	96.9	Very high	31 Å²	31	28.4 Å²	28.4	14%	0.135	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.2	170.5	-82.7	-176.5	-176.8	179.7	0	110.8	S73 L75 S76 G78 E79 E155 L156	S73-K150 WeakPolarHBondContact O-CE 3.29Å; S73-K150 PolarHBondContact O-NZ 3.13Å; L75-K150 HydrophobicContact CB-CD 4.13Å; L75-K150 HydrophobicContact CB-CG 4.25Å; L75-K150 WeakPolarHBondContact O-CD 3.17Å; L75-K150 WeakPolarHBondContact O-CE 3.16Å; L75-K150 PolarHBondContact O-NZ 3.5Å; S76-K150 WeakPolarHBondContact O-CB 3.49Å; G78-K150 WeakPolarHBondContact CA-O 3.4Å; G78-K150 PolarHBondContact N-O 3.3Å; G78-K150 VanDerWaalsContact N-O 3.08Å; E79-K150 PolarHBondContact O-N 3.45Å; K150-E155 WeakPolarHBondContact CA-O 3.44Å; K150-L156 HydrophobicContact CG-CB 4.42Å; K150-L156 HydrophobicContact CG-CD1 4.06Å
151	S	93.8	Very high	96.9	Very high	12 Å²	12	31.7 Å²	31.7	8%	0.084	16%	0.162	C	C	.	.			trans	-61.5	164.3	169.2	77.3	0	0	0	0	110.5	G78 L153 G154 E155	G78-S151 PolarHBondContact N-O 3.37Å; S151-L153 PolarHBondContact O-N 3.02Å; S151-L153 VanDerWaalsContact O-N 3.12Å; S151-L153 PolarHBondContact OG-N 2.75Å; S151-G154 PolarHBondContact O-N 2.94Å; S151-E155 PolarHBondContact N-O 3.11Å; S151-E155 PolarHBondContact OG-N 2.8Å
152	K	92.8	Very high	96.8	Very high	193 Å²	193	31.7 Å²	31.7	84%	0.839	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.5	174.5	-65.5	-176.1	179.3	-177.8	0	113	G154	K152-G154 VanDerWaalsContact C-N 3.28Å
153	L	93.5	Very high	96.8	Very high	167 Å²	167	31.9 Å²	31.9	87%	0.874	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	0.4	176.5	-60.6	177.4	0	0	0	112.9	S151	S151-L153 PolarHBondContact O-N 3.02Å; S151-L153 VanDerWaalsContact O-N 3.12Å; S151-L153 PolarHBondContact OG-N 2.75Å
154	G	94.2	Very high	96.7	Very high	26 Å²	26	36.1 Å²	36.1	27%	0.268	18%	0.18	S	C	.	.			trans	87.1	6.9	177.5	0	0	0	0	0	115.1	S77 S151 K152 L156	S77-G154 WeakPolarHBondContact OG-CA 3.32Å; S151-G154 PolarHBondContact O-N 2.94Å; K152-G154 VanDerWaalsContact C-N 3.28Å; G154-L156 PolarHBondContact O-N 3.39Å
155	E	96	Very high	96.7	Very high	65 Å²	65	36.8 Å²	36.8	30%	0.304	18%	0.184	S	C	.	.			trans	-77.3	120.1	178.6	-167.1	166	-164.9	0	0	110.5	R113 Q115 K150 S151 S157	R113-E155 IonicContact CZ-OE1 2.76Å; R113-E155 IonicContact NH2-OE1 3.45Å; R113-E155 PolarHBondContact NH2-OE1 2.97Å; Q115-E155 HydrophobicContact CB-CG 4.19Å; Q115-E155 PolarHBondContact NE2-OE2 3.41Å; K150-E155 WeakPolarHBondContact CA-O 3.44Å; S151-E155 PolarHBondContact N-O 3.11Å; S151-E155 PolarHBondContact OG-N 2.8Å; E155-S157 PolarHBondContact O-N 2.76Å; E155-S157 PolarHBondContact O-OG 2.8Å; E155-S157 VanDerWaalsContact O-OG 3.06Å
156	L	97.9	Very high	96.7	Very high	24 Å²	24	37 Å²	37	13%	0.126	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.8	177.9	-176	67.8	0	0	0	110.5	F68 I69 Y72 L75 L114 K150 G154	F68-L156 HydrophobicContact CD1-CD2 4.22Å; F68-L156 HydrophobicContact CE1-CD1 4.3Å; F68-L156 HydrophobicContact CE1-CD2 4.17Å; F68-L156 HydrophobicContact CE1-CG 4.09Å; I69-L156 HydrophobicContact CB-CD2 4.39Å; I69-L156 HydrophobicContact CG1-CD2 4.22Å; Y72-L156 VanDerWaalsContact O-CD1 3.32Å; Y72-L156 WeakPolarHBondContact O-CD1 3.2Å; L75-L156 HydrophobicContact CD1-CD1 4.46Å; L114-L156 HydrophobicContact CD1-CB 4.39Å; L114-L156 HydrophobicContact CD1-CD2 3.99Å; L114-L156 HydrophobicContact CD1-CG 3.89Å; K150-L156 HydrophobicContact CG-CB 4.42Å; K150-L156 HydrophobicContact CG-CD1 4.06Å; G154-L156 PolarHBondContact O-N 3.39Å
157	S	98.1	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.8	-169.8	-59.5	0	0	0	0	112.4	Q115 G149 E155	Q115-S157 WeakPolarHBondContact CG-OG 3.2Å; Q115-S157 CarbonylContact O-C 3.42Å; Q115-S157 WeakPolarHBondContact O-CA 3.5Å; Q115-S157 PolarHBondContact OE1-OG 3.45Å; G149-S157 PolarHBondContact N-O 3.41Å; G149-S157 PolarHBondContact O-N 3.35Å; E155-S157 PolarHBondContact O-N 2.76Å; E155-S157 PolarHBondContact O-OG 2.8Å; E155-S157 VanDerWaalsContact O-OG 3.06Å
158	I	98.2	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.3	155.9	-172.9	167.8	0	0	0	108.9	F68 V86 I88 L114 Q115 V116 M117 C144 S147 P160	F68-I158 HydrophobicContact CE2-CB 4.31Å; F68-I158 HydrophobicContact CE2-CD1 4.35Å; F68-I158 HydrophobicContact CZ-CB 4.09Å; V86-I158 HydrophobicContact CG2-CD1 4.08Å; I88-I158 HydrophobicContact CD1-CB 4.2Å; I88-I158 HydrophobicContact CD1-CD1 3.94Å; I88-I158 HydrophobicContact CD1-CG2 3.65Å; I88-I158 HydrophobicContact CG1-CD1 3.95Å; I88-I158 HydrophobicContact CG1-CG2 4.5Å; L114-I158 HydrophobicContact CD2-CB 4.47Å; L114-I158 HydrophobicContact CD2-CG2 4.31Å; Q115-I158 PolarHBondContact O-N 3.25Å; V116-I158 WeakPolarHBondContact CA-O 3.4Å; V116-I158 HydrophobicContact CB-CG2 4.15Å; V116-I158 HydrophobicContact CG1-CG2 4.16Å; V116-I158 HydrophobicContact CG2-CG2 3.79Å; M117-I158 PolarHBondContact N-O 3.37Å; C144-I158 VanDerWaalsContact SG-CG2 3.57Å; S147-I158 WeakPolarHBondContact O-CA 3.19Å; I158-P160 WeakPolarHBondContact O-CD 3.41Å
159	I	97.8	Very high	96.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.7	173.9	-58.8	87.7	0	0	0	107.3	M117 G146 S147	M117-I159 HydrophobicContact CE-CD1 4.09Å; M117-I159 HydrophobicContact CE-CG1 3.52Å; G146-I159 CarbonylContact C-O 3.59Å; G146-I159 WeakPolarHBondContact CA-O 3.3Å; S147-I159 PolarHBondContact N-O 2.71Å; S147-I159 WeakPolarHBondContact O-CD1 3.48Å; S147-I159 PolarHBondContact O-N 3.04Å
160	P	97.7	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.4	-173.1	27.1	-32.7	0	0	0	112.7	V116 M117 A118 Y123 S145 I158 I163	V116-P160 HydrophobicContact CG1-CB 4.37Å; V116-P160 HydrophobicContact CG1-CG 3.76Å; M117-P160 WeakPolarHBondContact O-CD 3.31Å; A118-P160 HydrophobicContact CB-CG 3.75Å; Y123-P160 HydrophobicContact CD2-CB 4.46Å; Y123-P160 HydrophobicContact CD2-CG 4.43Å; Y123-P160 WeakPolarHBondContact CD2-O 3.49Å; Y123-P160 HydrophobicContact CE2-CB 4.21Å; Y123-P160 HydrophobicContact CE2-CG 4.39Å; S145-P160 WeakPolarHBondContact O-CA 3.5Å; I158-P160 WeakPolarHBondContact O-CD 3.41Å; P160-I163 HydrophobicContact CB-CD1 4.19Å; P160-I163 HydrophobicContact CB-CG1 3.73Å; P160-I163 HydrophobicContact CG-CD1 4Å; P160-I163 HydrophobicContact CG-CG1 4.12Å
161	H	96.6	Very high	96.5	Very high	68 Å²	68	47.8 Å²	47.8	32%	0.315	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-30	157.3	-53.1	-47.7	0	0	0	111.2	S122 K124 S145 S147	S122-H161 WeakPolarHBondContact O-CA 3.5Å; S122-H161 PolarHBondContact O-ND1 3.43Å; K124-H161 PolarHBondContact N-O 2.97Å; K124-H161 VanDerWaalsContact N-O 3.08Å; S145-H161 PolarHBondContact O-N 3.03Å; S147-H161 PolarHBondContact OG-NE2 3.08Å
162	E	97	Very high	96.3	Very high	52 Å²	52	50 Å²	50	24%	0.243	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.7	179.5	-178	172.7	-138.7	0	0	110.6	K124 S145 K164	K124-E162 HydrophobicContact CD-CG 4.47Å; K124-E162 IonicContact NZ-OE1 2.81Å; K124-E162 PolarHBondContact NZ-OE1 2.8Å; S145-E162 PolarHBondContact N-O 2.97Å; S145-E162 PolarHBondContact O-N 3.19Å; S145-E162 VanDerWaalsContact O-N 3.15Å; E162-K164 HydrophobicContact CG-CG 4.22Å; E162-K164 WeakPolarHBondContact OE1-CE 3.3Å; E162-K164 IonicContact OE1-NZ 2.59Å; E162-K164 WeakPolarHBondContact OE2-CE 3.49Å; E162-K164 IonicContact OE2-NZ 2.69Å; E162-K164 PolarHBondContact OE2-NZ 3.3Å; E162-K164 VanDerWaalsContact OE2-NZ 3.1Å
163	I	97.6	Very high	96.2	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.6	168.6	-58.4	169.9	0	0	0	107	Y105 V116 A118 Y123 I132 I136 I142 G143 P160	Y105-I163 HydrophobicContact CD2-CD1 4.37Å; Y105-I163 HydrophobicContact CE2-CD1 4.09Å; V116-I163 HydrophobicContact CG1-CD1 4.18Å; A118-I163 HydrophobicContact CB-CD1 4.27Å; Y123-I163 HydrophobicContact CE2-CD1 4.4Å; Y123-I163 HydrophobicContact CE2-CG1 4.14Å; Y123-I163 PolarHBondContact OH-N 3.36Å; I132-I163 HydrophobicContact CG1-CB 4.04Å; I132-I163 HydrophobicContact CG1-CG2 4.26Å; I136-I163 HydrophobicContact CD1-CB 4.39Å; I136-I163 HydrophobicContact CD1-CG2 3.47Å; I136-I163 VanDerWaalsContact CD1-CG2 3.47Å; I142-I163 HydrophobicContact CB-CG2 4.05Å; I142-I163 HydrophobicContact CD1-CG2 3.92Å; I142-I163 HydrophobicContact CG1-CG2 4.5Å; I142-I163 HydrophobicContact CG2-CG2 4.45Å; G143-I163 CarbonylContact O-C 3.58Å; G143-I163 WeakPolarHBondContact O-CA 3.02Å; P160-I163 HydrophobicContact CB-CD1 4.19Å; P160-I163 HydrophobicContact CB-CG1 3.73Å; P160-I163 HydrophobicContact CG-CD1 4Å; P160-I163 HydrophobicContact CG-CG1 4.12Å
164	K	96.6	Very high	95.9	Very high	90 Å²	90	36.2 Å²	36.2	39%	0.391	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.6	174.8	-64.6	-174.1	-176.4	171.8	0	109.7	I142 G143 E162 L166	I142-K164 CarbonylContact C-O 3.54Å; I142-K164 VanDerWaalsContact CA-O 3.27Å; I142-K164 WeakPolarHBondContact CA-O 3.4Å; G143-K164 PolarHBondContact N-O 2.58Å; G143-K164 PolarHBondContact O-N 2.92Å; E162-K164 HydrophobicContact CG-CG 4.22Å; E162-K164 WeakPolarHBondContact OE1-CE 3.3Å; E162-K164 IonicContact OE1-NZ 2.59Å; E162-K164 WeakPolarHBondContact OE2-CE 3.49Å; E162-K164 IonicContact OE2-NZ 2.69Å; E162-K164 PolarHBondContact OE2-NZ 3.3Å; E162-K164 VanDerWaalsContact OE2-NZ 3.1Å; K164-L166 HydrophobicContact CB-CD2 4.17Å; K164-L166 PolarHBondContact O-N 3.36Å
165	L	97.7	Very high	95.2	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.7	163.6	180	65.4	0	0	0	108.6	I44 P54 P56 I135 D140 P168	I44-L165 HydrophobicContact CD1-CD2 4.38Å; P54-L165 HydrophobicContact CB-CD2 3.95Å; P56-L165 WeakPolarHBondContact CD-O 3.41Å; P56-L165 WeakPolarHBondContact CG-O 3.46Å; I135-L165 HydrophobicContact CG2-CB 4.4Å; I135-L165 HydrophobicContact CG2-CD2 3.68Å; D140-L165 HydrophobicContact CB-CD1 3.8Å; L165-P168 HydrophobicContact CD1-CB 4.29Å; L165-P168 HydrophobicContact CD2-CB 4.14Å; L165-P168 HydrophobicContact CD2-CG 4.35Å
166	L	97.8	Very high	94.1	Very high	29 Å²	29	40.5 Å²	40.5	15%	0.152	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-37.9	179.4	-54.2	-176.2	0	0	0	112.3	P56 F59 A89 I141 K164	P56-L166 WeakPolarHBondContact CD-O 3.49Å; P56-L166 HydrophobicContact CG-CD2 3.77Å; F59-L166 HydrophobicContact CB-CD1 3.98Å; F59-L166 HydrophobicContact CB-CD2 3.64Å; F59-L166 HydrophobicContact CB-CG 4.49Å; F59-L166 HydrophobicContact CD1-CD1 4Å; F59-L166 HydrophobicContact CD2-CD2 4.05Å; F59-L166 HydrophobicContact CG-CD1 4Å; F59-L166 HydrophobicContact CG-CD2 3.89Å; A89-L166 HydrophobicContact CB-CD1 4.05Å; I141-L166 HydrophobicContact CB-CB 4.43Å; I141-L166 HydrophobicContact CG2-CB 4.09Å; I141-L166 HydrophobicContact CG2-CD1 4.23Å; I141-L166 WeakPolarHBondContact O-CA 3.42Å; I141-L166 WeakPolarHBondContact O-CB 3.49Å; I141-L166 PolarHBondContact O-N 2.73Å; K164-L166 HydrophobicContact CB-CD2 4.17Å; K164-L166 PolarHBondContact O-N 3.36Å
167	S	97.9	Very high	93	Very high	42 Å²	42	47.3 Å²	47.3	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	114.9	173.1	-177.5	0	0	0	0	109.7	I141	I141-S167 PolarHBondContact N-O 3.13Å; I141-S167 PolarHBondContact O-N 3.36Å
168	P	97.6	Very high	92	Very high	10 Å²	10	55 Å²	55	7%	0.065	26%	0.259	C	S	.	.			trans	-70.1	145.7	178.1	27.9	-35.2	0	0	0	112.6	I44 P54 Y55 D140 L165 L170	I44-P168 HydrophobicContact CD1-CB 3.53Å; I44-P168 HydrophobicContact CD1-CG 3.62Å; I44-P168 HydrophobicContact CG1-CB 3.83Å; I44-P168 HydrophobicContact CG1-CG 3.68Å; I44-P168 HydrophobicContact CG2-CG 4.03Å; P54-P168 WeakPolarHBondContact O-CD 3.35Å; Y55-P168 HydrophobicContact CE1-CG 4.07Å; Y55-P168 HydrophobicContact CE2-CG 4.21Å; Y55-P168 WeakPolarHBondContact OH-CG 3.28Å; D140-P168 VanDerWaalsContact OD1-CA 3.31Å; D140-P168 WeakPolarHBondContact OD1-CA 3.36Å; L165-P168 HydrophobicContact CD1-CB 4.29Å; L165-P168 HydrophobicContact CD2-CB 4.14Å; L165-P168 HydrophobicContact CD2-CG 4.35Å; P168-L170 HydrophobicContact CB-CD2 4.5Å; P168-L170 HydrophobicContact CG-CD2 4.45Å
169	C	96.7	Very high	91.3	Very high	16 Å²	16	55.5 Å²	55.5	11%	0.108	26%	0.264	C	S	.	.			trans	-85.7	118.6	164.8	-171.2	0	0	0	0	109.1	G139 D140 Y171	G139-C169 WeakPolarHBondContact O-CB 3.48Å; D140-C169 PolarHBondContact OD1-N 3.47Å; C169-Y171 PolarHBondContact SG-O 3.08Å
170	L	96.3	Very high	90.9	Very high	41 Å²	41	56 Å²	56	22%	0.215	27%	0.267	C	S	.	.			trans	-89	-6.8	179.8	-55.4	-176.6	0	0	0	112.8	H37 R40 I44 P168	H37-L170 VanDerWaalsContact CA-O 3.31Å; H37-L170 WeakPolarHBondContact CA-O 3.46Å; H37-L170 PolarHBondContact ND1-O 3.44Å; R40-L170 HydrophobicContact CB-CD2 4.42Å; I44-L170 HydrophobicContact CB-CD2 4.39Å; I44-L170 HydrophobicContact CG1-CD2 3.75Å; P168-L170 HydrophobicContact CB-CD2 4.5Å; P168-L170 HydrophobicContact CG-CD2 4.45Å
171	Y	94	Very high	90.4	Very high	149 Å²	149	63.6 Å²	63.6	58%	0.584	30%	0.3	S	S	*	.	S	Bend	trans	-113.1	146.4	-178	-64.8	-79.4	0	0	0	110	H37 C169 L173	H37-Y171 AromaticContact CE1-CE1 3.63Å; H37-Y171 AromaticContact CE1-CZ 3.52Å; H37-Y171 AromaticContact CG-CE1 3.95Å; H37-Y171 AromaticContact ND1-CD1 3.68Å; H37-Y171 AromaticContact ND1-CE1 3.46Å; H37-Y171 WeakPolarHBondContact ND1-CE1 3.36Å; H37-Y171 AromaticContact ND1-CZ 3.78Å; C169-Y171 PolarHBondContact SG-O 3.08Å; Y171-L173 PolarHBondContact O-N 3.05Å
172	Q	90.8	Very high	90.2	Very high	58 Å²	58	64.4 Å²	64.4	27%	0.271	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-69.2	122.8	169.8	-169.2	176.7	18.6	0	0	108.2	E28 V31 Y36	E28-Q172 PolarHBondContact O-NE2 3.18Å; V31-Q172 PolarHBondContact O-OE1 3.36Å; Y36-Q172 HydrophobicContact CD1-CB 3.79Å; Y36-Q172 VanDerWaalsContact CD1-N 3.34Å; Y36-Q172 HydrophobicContact CE1-CB 4.2Å; Y36-Q172 HydrophobicContact CG-CB 4Å
173	L	90.5	Very high	90	Very high	22 Å²	22	67.2 Å²	67.2	12%	0.115	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-75.3	143	175.3	-65	-174.8	0	0	0	110	L138 Y171 M176 L192 L195	L138-L173 HydrophobicContact CD2-CB 4.31Å; L138-L173 HydrophobicContact CG-CD1 4.26Å; Y171-L173 PolarHBondContact O-N 3.05Å; L173-M176 HydrophobicContact CB-CE 3.77Å; L173-M176 HydrophobicContact CD1-CE 3.71Å; L173-M176 HydrophobicContact CG-CE 4.38Å; L173-L192 HydrophobicContact CD2-CD1 4.17Å; L173-L195 HydrophobicContact CD1-CD2 3.93Å; L173-L195 HydrophobicContact CD2-CD2 3.62Å; L173-L195 HydrophobicContact CG-CD2 4.47Å
174	P	86.1	Confident	89.8	Confident	48 Å²	48	71.4 Å²	71.4	31%	0.312	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-57	156.4	170.1	-22.7	33.9	0	0	0	111.4	M176 V180 L192 M196	P174-M176 PolarHBondContact O-N 3.37Å; P174-M176 VanDerWaalsContact O-N 3.15Å; P174-V180 HydrophobicContact CG-CG2 4.09Å; P174-L192 HydrophobicContact CG-CD2 4.38Å; P174-M196 HydrophobicContact CB-CE 4.21Å; P174-M196 VanDerWaalsContact O-CE 3.23Å; P174-M196 WeakPolarHBondContact O-CE 3.2Å
175	H	80.5	Confident	89.6	Confident	123 Å²	123	69.4 Å²	69.4	57%	0.569	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-58.4	122.3	177.2	-89.1	-68.6	0	0	0	111.7	D29 H177 Y178 G179	D29-H175 IonicContact OD1-CE1 2.81Å; H175-H177 PolarHBondContact O-N 2.97Å; H175-H177 VanDerWaalsContact O-N 3.1Å; H175-Y178 HydrophobicContact CB-CD2 4.18Å; H175-Y178 PolarHBondContact O-N 3.34Å; H175-Y178 VanDerWaalsContact O-N 3.17Å; H175-G179 PolarHBondContact O-N 3.25Å
176	M	73.3	Confident	89.6	Confident	59 Å²	59	69.9 Å²	69.9	29%	0.291	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.9	-176.9	-64.2	-66.4	135.7	0	0	114	L173 P174 Y178 M196	L173-M176 HydrophobicContact CB-CE 3.77Å; L173-M176 HydrophobicContact CD1-CE 3.71Å; L173-M176 HydrophobicContact CG-CE 4.38Å; P174-M176 PolarHBondContact O-N 3.37Å; P174-M176 VanDerWaalsContact O-N 3.15Å; M176-Y178 VanDerWaalsContact C-N 3.3Å; M176-Y178 PolarHBondContact O-N 3.42Å; M176-M196 HydrophobicContact CE-CE 3.43Å; M176-M196 VanDerWaalsContact CE-CE 3.43Å; M176-M196 HydrophobicContact CE-SD 3.19Å; M176-M196 WeakPolarHBondContact CE-SD 3.45Å; M176-M196 HydrophobicContact CG-CE 4.45Å; M176-M196 HydrophobicContact SD-CE 3.52Å; M176-M196 VanDerWaalsContact SD-CE 3.52Å; M176-M196 HydrophobicContact SD-SD 3.64Å; M176-M196 VanDerWaalsContact SD-SD 3.64Å
177	H	74.1	Confident	89.5	Confident	167 Å²	167	69 Å²	69	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.6	-177.7	-170.6	-69.7	0	0	0	112.4	H175	H175-H177 PolarHBondContact O-N 2.97Å; H175-H177 VanDerWaalsContact O-N 3.1Å
178	Y	76.6	Confident	89.3	Confident	161 Å²	161	70.2 Å²	70.2	63%	0.631	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-22.9	-178.5	-59.3	-72	0	0	0	112.5	H175 M176 K181	H175-Y178 HydrophobicContact CB-CD2 4.18Å; H175-Y178 PolarHBondContact O-N 3.34Å; H175-Y178 VanDerWaalsContact O-N 3.17Å; M176-Y178 VanDerWaalsContact C-N 3.3Å; M176-Y178 PolarHBondContact O-N 3.42Å; Y178-K181 WeakPolarHBondContact O-CE 3.15Å
179	G	84.6	Confident	89.2	Confident	11 Å²	11	73.2 Å²	73.2	11%	0.113	34%	0.34	C	S	.	.			trans	64.3	-165.6	-168.9	0	0	0	0	0	111.4	H175	H175-G179 PolarHBondContact O-N 3.25Å
180	V	88.3	Confident	89.3	Confident	13 Å²	13	72.4 Å²	72.4	8%	0.079	34%	0.335	C	S	.	.			trans	-94.4	118.2	167.7	-172.1	0	0	0	0	107.8	P174 T185 R186 L192 M196 N197	P174-V180 HydrophobicContact CG-CG2 4.09Å; V180-T185 HydrophobicContact CG1-CG2 3.87Å; V180-R186 HydrophobicContact CB-CG 4Å; V180-R186 HydrophobicContact CG1-CG 3.71Å; V180-R186 VanDerWaalsContact O-CD 3.26Å; V180-R186 WeakPolarHBondContact O-CD 3.36Å; V180-L192 HydrophobicContact CG2-CD2 3.97Å; V180-L192 HydrophobicContact CG2-CG 3.89Å; V180-M196 HydrophobicContact CG2-CB 3.99Å; V180-M196 HydrophobicContact CG2-CG 3.84Å; V180-N197 PolarHBondContact O-ND2 3.41Å
181	K	89	Confident	89.2	Confident	158 Å²	158	77.7 Å²	77.7	69%	0.687	35%	0.353	S	S	*	.			trans	-98.6	-31.2	178.4	-64.6	-55.7	-167	-165.8	0	113.4	Y178 K183	Y178-K181 WeakPolarHBondContact O-CE 3.15Å; K181-K183 PolarHBondContact O-N 2.84Å; K181-K183 VanDerWaalsContact O-N 3.16Å
182	D	92.3	Very high	89.2	Confident	85 Å²	85	71.7 Å²	71.7	46%	0.455	33%	0.331	S	S	.	.			trans	-61.8	116.2	179.8	173.9	49.5	0	0	0	111	E184 T185 R186	D182-E184 VanDerWaalsContact C-N 3.29Å; D182-E184 PolarHBondContact O-N 3.44Å; D182-T185 PolarHBondContact O-N 2.89Å; D182-T185 VanDerWaalsContact OD2-CB 3.24Å; D182-T185 WeakPolarHBondContact OD2-CB 3.36Å; D182-T185 PolarHBondContact OD2-N 3.27Å; D182-T185 PolarHBondContact OD2-OG1 3.27Å; D182-R186 VanDerWaalsContact O-CG 3.22Å; D182-R186 WeakPolarHBondContact O-CG 3.47Å; D182-R186 PolarHBondContact O-N 2.99Å
183	K	92.1	Very high	89.4	Confident	112 Å²	112	68.9 Å²	68.9	49%	0.487	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-35.8	-174.5	-69.4	-176.3	-179.9	179.6	0	111.7	K181 R186 F187	K181-K183 PolarHBondContact O-N 2.84Å; K181-K183 VanDerWaalsContact O-N 3.16Å; K183-R186 PolarHBondContact O-N 3.2Å; K183-F187 HydrophobicContact CB-CD2 4.4Å; K183-F187 HydrophobicContact CB-CE2 3.93Å; K183-F187 HydrophobicContact CB-CZ 4.36Å; K183-F187 WeakPolarHBondContact O-CB 3.46Å; K183-F187 WeakPolarHBondContact O-CD2 3.46Å; K183-F187 WeakPolarHBondContact O-CG 3.36Å; K183-F187 PolarHBondContact O-N 3.26Å
184	E	93.1	Very high	89.6	Confident	92 Å²	92	70 Å²	70	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-49.3	-180	-178.1	161.3	-166.4	0	0	111.3	D182 R186 F187 R188 M533	D182-E184 VanDerWaalsContact C-N 3.29Å; D182-E184 PolarHBondContact O-N 3.44Å; E184-R186 VanDerWaalsContact C-N 3.33Å; E184-R186 PolarHBondContact O-N 3.13Å; E184-F187 PolarHBondContact O-N 3.04Å; E184-R188 HydrophobicContact CG-CG 4.45Å; E184-R188 WeakPolarHBondContact O-CB 3.35Å; E184-R188 WeakPolarHBondContact O-CG 3.43Å; E184-R188 PolarHBondContact O-N 3.15Å; E184-R188 IonicContact OE1-CZ 3.14Å; E184-R188 VanDerWaalsContact OE1-CZ 3.26Å; E184-R188 IonicContact OE1-NE 2.91Å; E184-R188 PolarHBondContact OE1-NE 3.06Å; E184-R188 IonicContact OE1-NH2 3.88Å; E184-R188 PolarHBondContact OE1-NH2 3.37Å; E184-M533 HydrophobicContact CG-CE 4.36Å
185	T	93.4	Very high	89.8	Confident	48 Å²	48	69.1 Å²	69.1	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-57.3	-45.9	174.3	-58.4	0	0	0	0	111.3	V180 D182 F187 R188 Q189 L192	V180-T185 HydrophobicContact CG1-CG2 3.87Å; D182-T185 PolarHBondContact O-N 2.89Å; D182-T185 VanDerWaalsContact OD2-CB 3.24Å; D182-T185 WeakPolarHBondContact OD2-CB 3.36Å; D182-T185 PolarHBondContact OD2-N 3.27Å; D182-T185 PolarHBondContact OD2-OG1 3.27Å; T185-F187 PolarHBondContact O-N 3.23Å; T185-R188 PolarHBondContact O-N 3.38Å; T185-Q189 WeakPolarHBondContact O-CA 3.22Å; T185-Q189 WeakPolarHBondContact O-CB 3.41Å; T185-Q189 PolarHBondContact O-N 3.39Å; T185-L192 HydrophobicContact CG2-CD2 4.25Å
186	R	95.9	Very high	90.3	Very high	23 Å²	23	64 Å²	64	9%	0.087	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-45.4	179.4	-70.3	173.2	69.9	-135.2	-18.2	112.6	V180 D182 K183 E184 Q189 R190 D193 V200 E526	V180-R186 HydrophobicContact CB-CG 4Å; V180-R186 HydrophobicContact CG1-CG 3.71Å; V180-R186 VanDerWaalsContact O-CD 3.26Å; V180-R186 WeakPolarHBondContact O-CD 3.36Å; D182-R186 VanDerWaalsContact O-CG 3.22Å; D182-R186 WeakPolarHBondContact O-CG 3.47Å; D182-R186 PolarHBondContact O-N 2.99Å; K183-R186 PolarHBondContact O-N 3.2Å; E184-R186 VanDerWaalsContact C-N 3.33Å; E184-R186 PolarHBondContact O-N 3.13Å; R186-Q189 CarbonylContact O-C 3.59Å; R186-R190 WeakPolarHBondContact O-CA 3.25Å; R186-R190 PolarHBondContact O-N 2.86Å; R186-D193 HydrophobicContact CB-CB 4.1Å; R186-D193 HydrophobicContact CG-CB 4.29Å; R186-D193 WeakPolarHBondContact CG-OD1 3.48Å; R186-D193 IonicContact CZ-OD1 3.44Å; R186-D193 IonicContact CZ-OD2 3.41Å; R186-D193 IonicContact NE-OD1 2.7Å; R186-D193 PolarHBondContact NE-OD1 2.56Å; R186-D193 IonicContact NE-OD2 3.27Å; R186-D193 PolarHBondContact NE-OD2 3.03Å; R186-D193 IonicContact NH2-OD1 3.17Å; R186-D193 IonicContact NH2-OD2 3.3Å; R186-D193 PolarHBondContact NH2-OD2 2.62Å; R186-V200 VanDerWaalsContact NH2-CG2 3.31Å; R186-E526 IonicContact CZ-OE1 2.84Å; R186-E526 IonicContact CZ-OE2 3.49Å; R186-E526 IonicContact NH1-OE1 3.56Å; R186-E526 PolarHBondContact NH1-OE1 3.47Å; R186-E526 IonicContact NH1-OE2 3.46Å; R186-E526 IonicContact NH2-OE1 3.61Å; R186-E526 PolarHBondContact NH2-OE1 3.17Å; R186-E526 IonicContact NH2-OE2 3.36Å; R186-E526 PolarHBondContact NH2-OE2 3.1Å
187	F	96	Very high	91.1	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.044	28%	0.282	C	S	.	.	H	α-helix	trans	-75.7	-34	-177.4	-61.7	-27.8	0	0	0	113.1	K183 E184 T185 K525 E526 P531 M533	K183-F187 HydrophobicContact CB-CD2 4.4Å; K183-F187 HydrophobicContact CB-CE2 3.93Å; K183-F187 HydrophobicContact CB-CZ 4.36Å; K183-F187 WeakPolarHBondContact O-CB 3.46Å; K183-F187 WeakPolarHBondContact O-CD2 3.46Å; K183-F187 WeakPolarHBondContact O-CG 3.36Å; K183-F187 PolarHBondContact O-N 3.26Å; E184-F187 PolarHBondContact O-N 3.04Å; T185-F187 PolarHBondContact O-N 3.23Å; F187-K525 HydrophobicContact CD1-CB 4.11Å; F187-K525 HydrophobicContact CD2-CB 3.92Å; F187-K525 HydrophobicContact CD2-CD 3.68Å; F187-K525 HydrophobicContact CD2-CG 4.45Å; F187-K525 HydrophobicContact CE1-CB 3.8Å; F187-K525 WeakPolarHBondContact CE1-O 3.33Å; F187-K525 HydrophobicContact CE2-CB 3.58Å; F187-K525 HydrophobicContact CE2-CD 3.74Å; F187-K525 HydrophobicContact CE2-CG 4.3Å; F187-K525 HydrophobicContact CG-CB 4.18Å; F187-K525 HydrophobicContact CG-CD 4.44Å; F187-K525 HydrophobicContact CZ-CB 3.53Å; F187-E526 HydrophobicContact CE1-CG 4.45Å; F187-E526 WeakPolarHBondContact CE1-OE1 3.23Å; F187-E526 HydrophobicContact CZ-CG 4.41Å; F187-E526 WeakPolarHBondContact CZ-OE1 3.31Å; F187-P531 HydrophobicContact CB-CG 3.87Å; F187-P531 HydrophobicContact CD1-CG 4.35Å; F187-P531 HydrophobicContact CG-CG 4.1Å; F187-M533 HydrophobicContact CB-CE 4.12Å; F187-M533 HydrophobicContact CB-CG 4.5Å; F187-M533 HydrophobicContact CB-SD 3.96Å; F187-M533 HydrophobicContact CD2-CE 4.35Å; F187-M533 HydrophobicContact CD2-SD 4.32Å
188	R	95.3	Very high	91.8	Very high	69 Å²	69	57 Å²	57	26%	0.26	26%	0.26	S	S	.	.	H	α-helix	trans	-76	-38.5	175.1	-67.8	-176.5	-172.2	-73	0.4	112.5	E184 T185 M533 K534 E536	E184-R188 HydrophobicContact CG-CG 4.45Å; E184-R188 WeakPolarHBondContact O-CB 3.35Å; E184-R188 WeakPolarHBondContact O-CG 3.43Å; E184-R188 PolarHBondContact O-N 3.15Å; E184-R188 IonicContact OE1-CZ 3.14Å; E184-R188 VanDerWaalsContact OE1-CZ 3.26Å; E184-R188 IonicContact OE1-NE 2.91Å; E184-R188 PolarHBondContact OE1-NE 3.06Å; E184-R188 IonicContact OE1-NH2 3.88Å; E184-R188 PolarHBondContact OE1-NH2 3.37Å; T185-R188 PolarHBondContact O-N 3.38Å; R188-M533 HydrophobicContact CG-CG 4.48Å; R188-K534 PolarHBondContact NH1-O 3.31Å; R188-K534 PolarHBondContact NH2-O 3.34Å; R188-E536 VanDerWaalsContact CD-OE1 3.24Å; R188-E536 WeakPolarHBondContact CD-OE1 3.4Å; R188-E536 IonicContact NE-OE1 3.37Å; R188-E536 PolarHBondContact NE-OE1 2.63Å
189	Q	95.4	Very high	92.5	Very high	72 Å²	72	52.9 Å²	52.9	34%	0.336	25%	0.249	S	C	.	.			trans	-114.4	60.6	-177	-58.5	-172.9	-29	0	0	110.9	T185 R186 Y191 L192 D193	T185-Q189 WeakPolarHBondContact O-CA 3.22Å; T185-Q189 WeakPolarHBondContact O-CB 3.41Å; T185-Q189 PolarHBondContact O-N 3.39Å; R186-Q189 CarbonylContact O-C 3.59Å; Q189-Y191 HydrophobicContact CB-CE1 4.14Å; Q189-Y191 HydrophobicContact CB-CE2 4.06Å; Q189-Y191 HydrophobicContact CG-CE1 4.45Å; Q189-Y191 HydrophobicContact CG-CE2 4.47Å; Q189-Y191 WeakPolarHBondContact CG-OH 3.4Å; Q189-Y191 PolarHBondContact O-N 3.33Å; Q189-L192 HydrophobicContact CB-CB 4.06Å; Q189-L192 WeakPolarHBondContact O-CA 3.24Å; Q189-L192 WeakPolarHBondContact O-CB 3.47Å; Q189-L192 PolarHBondContact O-N 2.93Å; Q189-D193 PolarHBondContact O-N 3.01Å; Q189-D193 VanDerWaalsContact O-N 3.13Å
190	R	97.3	Very high	93	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-54.9	-30.6	-177.5	-175	62.1	67.5	176.4	14	113.8	R186 L192 D193 L194 K525 I528 L529 F530	R186-R190 WeakPolarHBondContact O-CA 3.25Å; R186-R190 PolarHBondContact O-N 2.86Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3.44Å; R190-D193 IonicContact CZ-OD2 3.04Å; R190-D193 IonicContact NH1-OD2 2.73Å; R190-D193 PolarHBondContact NH1-OD2 3.29Å; R190-D193 PolarHBondContact O-N 3.42Å; R190-L194 HydrophobicContact CG-CD1 4.03Å; R190-L194 HydrophobicContact CG-CG 4.21Å; R190-L194 WeakPolarHBondContact O-CB 3.19Å; R190-L194 WeakPolarHBondContact O-CG 3.43Å; R190-L194 PolarHBondContact O-N 2.9Å; R190-K525 PolarHBondContact NH2-O 3.28Å; R190-I528 PolarHBondContact NH2-O 3.37Å; R190-L529 WeakPolarHBondContact CB-O 3.33Å; R190-L529 HydrophobicContact CG-CD2 4.12Å; R190-L529 WeakPolarHBondContact CG-O 3.42Å; R190-L529 PolarHBondContact NE-O 3Å; R190-F530 HydrophobicContact CB-CD1 4.16Å; R190-F530 HydrophobicContact CB-CE1 3.79Å; R190-F530 HydrophobicContact CB-CZ 4.33Å
191	Y	95	Very high	93.2	Very high	152 Å²	152	55.4 Å²	55.4	60%	0.596	25%	0.254	S	S	*	.	H	α-helix	trans	-62.5	-34.6	174.5	51.9	-95.5	0	0	0	112.9	Q189 L195	Q189-Y191 HydrophobicContact CB-CE1 4.14Å; Q189-Y191 HydrophobicContact CB-CE2 4.06Å; Q189-Y191 HydrophobicContact CG-CE1 4.45Å; Q189-Y191 HydrophobicContact CG-CE2 4.47Å; Q189-Y191 WeakPolarHBondContact CG-OH 3.4Å; Q189-Y191 PolarHBondContact O-N 3.33Å; Y191-L195 VanDerWaalsContact O-CB 3.31Å; Y191-L195 WeakPolarHBondContact O-CB 3.47Å; Y191-L195 PolarHBondContact O-N 3.02Å
192	L	94.1	Very high	93.4	Very high	22 Å²	22	51.4 Å²	51.4	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-75.7	-39.7	174.1	-178.5	64.1	0	0	0	110.6	L173 P174 V180 T185 Q189 R190 L195 M196	L173-L192 HydrophobicContact CD2-CD1 4.17Å; P174-L192 HydrophobicContact CG-CD2 4.38Å; V180-L192 HydrophobicContact CG2-CD2 3.97Å; V180-L192 HydrophobicContact CG2-CG 3.89Å; T185-L192 HydrophobicContact CG2-CD2 4.25Å; Q189-L192 HydrophobicContact CB-CB 4.06Å; Q189-L192 WeakPolarHBondContact O-CA 3.24Å; Q189-L192 WeakPolarHBondContact O-CB 3.47Å; Q189-L192 PolarHBondContact O-N 2.93Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3.44Å; L192-L195 HydrophobicContact CD1-CD2 4.37Å; L192-L195 WeakPolarHBondContact O-CB 3.47Å; L192-L195 PolarHBondContact O-N 2.87Å; L192-M196 HydrophobicContact CD1-CG 3.85Å; L192-M196 HydrophobicContact CG-CG 4.28Å; L192-M196 WeakPolarHBondContact O-CB 3.4Å; L192-M196 WeakPolarHBondContact O-CG 3.43Å; L192-M196 PolarHBondContact O-N 3.46Å
193	D	94.9	Very high	93.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-49	176.1	-165.5	29.2	0	0	0	111.6	R186 Q189 R190 L195 M196 N197 V200	R186-D193 HydrophobicContact CB-CB 4.1Å; R186-D193 HydrophobicContact CG-CB 4.29Å; R186-D193 WeakPolarHBondContact CG-OD1 3.48Å; R186-D193 IonicContact CZ-OD1 3.44Å; R186-D193 IonicContact CZ-OD2 3.41Å; R186-D193 IonicContact NE-OD1 2.7Å; R186-D193 PolarHBondContact NE-OD1 2.56Å; R186-D193 IonicContact NE-OD2 3.27Å; R186-D193 PolarHBondContact NE-OD2 3.03Å; R186-D193 IonicContact NH2-OD1 3.17Å; R186-D193 IonicContact NH2-OD2 3.3Å; R186-D193 PolarHBondContact NH2-OD2 2.62Å; Q189-D193 PolarHBondContact O-N 3.01Å; Q189-D193 VanDerWaalsContact O-N 3.13Å; R190-D193 IonicContact CZ-OD2 3.04Å; R190-D193 IonicContact NH1-OD2 2.73Å; R190-D193 PolarHBondContact NH1-OD2 3.29Å; R190-D193 PolarHBondContact O-N 3.42Å; D193-L195 PolarHBondContact O-N 3.34Å; D193-M196 PolarHBondContact O-N 3.43Å; D193-N197 WeakPolarHBondContact O-CB 3.32Å; D193-N197 PolarHBondContact O-N 3Å; D193-N197 PolarHBondContact OD1-ND2 3.4Å; D193-V200 WeakPolarHBondContact OD2-CG1 3.37Å; D193-V200 WeakPolarHBondContact OD2-CG2 3.38Å
194	L	94	Very high	93.8	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.236	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-25.8	175.2	-72.8	170.2	0	0	0	113.6	R190 V200 R201 F204 L529	R190-L194 HydrophobicContact CG-CD1 4.03Å; R190-L194 HydrophobicContact CG-CG 4.21Å; R190-L194 WeakPolarHBondContact O-CB 3.19Å; R190-L194 WeakPolarHBondContact O-CG 3.43Å; R190-L194 PolarHBondContact O-N 2.9Å; L194-V200 HydrophobicContact CD2-CG1 3.9Å; L194-V200 HydrophobicContact CG-CG1 4.48Å; L194-R201 HydrophobicContact CD2-CB 4.34Å; L194-R201 PolarHBondContact O-NH2 2.84Å; L194-F204 HydrophobicContact CD2-CD2 4.14Å; L194-L529 HydrophobicContact CD1-CD2 4.34Å
195	L	91	Very high	94	Very high	29 Å²	29	44.7 Å²	44.7	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-76.4	-38.5	177	173.2	59.7	0	0	0	111.5	H93 L173 Y191 L192 D193	H93-L195 PolarHBondContact CE1-O 2.82Å; H93-L195 WeakPolarHBondContact NE2-CD1 3.24Å; L173-L195 HydrophobicContact CD1-CD2 3.93Å; L173-L195 HydrophobicContact CD2-CD2 3.62Å; L173-L195 HydrophobicContact CG-CD2 4.47Å; Y191-L195 VanDerWaalsContact O-CB 3.31Å; Y191-L195 WeakPolarHBondContact O-CB 3.47Å; Y191-L195 PolarHBondContact O-N 3.02Å; L192-L195 HydrophobicContact CD1-CD2 4.37Å; L192-L195 WeakPolarHBondContact O-CB 3.47Å; L192-L195 PolarHBondContact O-N 2.87Å; D193-L195 PolarHBondContact O-N 3.34Å
196	M	90	Very high	94.2	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-98.3	-30.4	-169.1	-63.5	-61	-58.1	0	0	113.5	P174 M176 V180 L192 D193	P174-M196 HydrophobicContact CB-CE 4.21Å; P174-M196 VanDerWaalsContact O-CE 3.23Å; P174-M196 WeakPolarHBondContact O-CE 3.2Å; M176-M196 HydrophobicContact CE-CE 3.43Å; M176-M196 VanDerWaalsContact CE-CE 3.43Å; M176-M196 HydrophobicContact CE-SD 3.19Å; M176-M196 WeakPolarHBondContact CE-SD 3.45Å; M176-M196 HydrophobicContact CG-CE 4.45Å; M176-M196 HydrophobicContact SD-CE 3.52Å; M176-M196 VanDerWaalsContact SD-CE 3.52Å; M176-M196 HydrophobicContact SD-SD 3.64Å; M176-M196 VanDerWaalsContact SD-SD 3.64Å; V180-M196 HydrophobicContact CG2-CB 3.99Å; V180-M196 HydrophobicContact CG2-CG 3.84Å; L192-M196 HydrophobicContact CD1-CG 3.85Å; L192-M196 HydrophobicContact CG-CG 4.28Å; L192-M196 WeakPolarHBondContact O-CB 3.4Å; L192-M196 WeakPolarHBondContact O-CG 3.43Å; L192-M196 PolarHBondContact O-N 3.46Å; D193-M196 PolarHBondContact O-N 3.43Å
197	N	90.8	Very high	94.3	Very high	14 Å²	14	43.8 Å²	43.8	8%	0.075	20%	0.199	C	C	.	.			trans	-121.1	104.3	-170.1	-64	-41.9	0	0	0	110.4	V180 D193 D199 V200	V180-N197 PolarHBondContact O-ND2 3.41Å; D193-N197 WeakPolarHBondContact O-CB 3.32Å; D193-N197 PolarHBondContact O-N 3Å; D193-N197 PolarHBondContact OD1-ND2 3.4Å; N197-D199 VanDerWaalsContact C-N 3.33Å; N197-D199 WeakPolarHBondContact CB-OD1 3.44Å; N197-D199 PolarHBondContact O-N 3.06Å; N197-V200 HydrophobicContact CB-CB 4.41Å; N197-V200 HydrophobicContact CB-CG2 3.73Å; N197-V200 WeakPolarHBondContact O-CB 3.45Å; N197-V200 PolarHBondContact O-N 3.1Å
198	E	88.6	Confident	94.4	Very high	64 Å²	64	45.6 Å²	45.6	30%	0.299	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-32	-176.4	-178.1	53.4	-146.8	0	0	112.6	V200 R201 Q202	E198-V200 PolarHBondContact O-N 3.3Å; E198-R201 WeakPolarHBondContact O-CB 3.38Å; E198-R201 PolarHBondContact O-N 2.71Å; E198-R201 VanDerWaalsContact O-N 3.13Å; E198-R201 WeakPolarHBondContact OE1-CD 3.44Å; E198-R201 IonicContact OE1-NE 2.91Å; E198-R201 IonicContact OE2-NE 3.59Å; E198-R201 PolarHBondContact OE2-NE 2.72Å; E198-Q202 PolarHBondContact O-N 2.81Å; E198-Q202 PolarHBondContact OE1-NE2 3.42Å
199	D	91.3	Very high	94.5	Very high	76 Å²	76	47.5 Å²	47.5	41%	0.406	22%	0.222	S	C	.	.	H	α-helix	trans	-57.2	-37.5	175.6	60.6	-57.9	0	0	0	111.7	N197 R201 Q202 R203	N197-D199 VanDerWaalsContact C-N 3.33Å; N197-D199 WeakPolarHBondContact CB-OD1 3.44Å; N197-D199 PolarHBondContact O-N 3.06Å; D199-R201 PolarHBondContact O-N 3.18Å; D199-Q202 PolarHBondContact O-N 3.17Å; D199-R203 WeakPolarHBondContact O-CG 3.44Å; D199-R203 PolarHBondContact O-N 3.4Å; D199-R203 IonicContact OD2-CZ 3.88Å; D199-R203 VanDerWaalsContact OD2-CZ 3.3Å; D199-R203 IonicContact OD2-NH1 3.58Å; D199-R203 PolarHBondContact OD2-NH1 3.13Å; D199-R203 IonicContact OD2-NH2 2.8Å; D199-R203 PolarHBondContact OD2-NH2 3.29Å
200	V	94.3	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-42.9	178.1	-179.8	0	0	0	0	111.1	R186 D193 L194 N197 E198 Q202 R203 F204	R186-V200 VanDerWaalsContact NH2-CG2 3.31Å; D193-V200 WeakPolarHBondContact OD2-CG1 3.37Å; D193-V200 WeakPolarHBondContact OD2-CG2 3.38Å; L194-V200 HydrophobicContact CD2-CG1 3.9Å; L194-V200 HydrophobicContact CG-CG1 4.48Å; N197-V200 HydrophobicContact CB-CB 4.41Å; N197-V200 HydrophobicContact CB-CG2 3.73Å; N197-V200 WeakPolarHBondContact O-CB 3.45Å; N197-V200 PolarHBondContact O-N 3.1Å; E198-V200 PolarHBondContact O-N 3.3Å; V200-Q202 VanDerWaalsContact C-N 3.32Å; V200-Q202 PolarHBondContact O-N 2.66Å; V200-R203 PolarHBondContact O-N 3.39Å; V200-F204 HydrophobicContact CG1-CD2 4.04Å; V200-F204 HydrophobicContact CG1-CE2 3.63Å; V200-F204 WeakPolarHBondContact O-CD2 3.43Å; V200-F204 PolarHBondContact O-N 2.82Å
201	R	92.6	Very high	94.8	Very high	76 Å²	76	45.3 Å²	45.3	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-58.1	-47.6	174.7	-179.2	-171.6	-57.5	-72.9	-11.4	110.6	L194 E198 D199 R203 F204 I205	L194-R201 HydrophobicContact CD2-CB 4.34Å; L194-R201 PolarHBondContact O-NH2 2.84Å; E198-R201 WeakPolarHBondContact O-CB 3.38Å; E198-R201 PolarHBondContact O-N 2.71Å; E198-R201 VanDerWaalsContact O-N 3.13Å; E198-R201 WeakPolarHBondContact OE1-CD 3.44Å; E198-R201 IonicContact OE1-NE 2.91Å; E198-R201 IonicContact OE2-NE 3.59Å; E198-R201 PolarHBondContact OE2-NE 2.72Å; D199-R201 PolarHBondContact O-N 3.18Å; R201-R203 VanDerWaalsContact C-N 3.3Å; R201-R203 PolarHBondContact O-N 3.39Å; R201-F204 PolarHBondContact O-N 3.33Å; R201-I205 HydrophobicContact CG-CD1 3.84Å; R201-I205 HydrophobicContact CG-CG1 4.44Å; R201-I205 WeakPolarHBondContact O-CG1 3.45Å; R201-I205 PolarHBondContact O-N 3.26Å
202	Q	93.8	Very high	94.9	Very high	75 Å²	75	41.8 Å²	41.8	35%	0.35	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-33.8	-179.1	-61.9	-56.6	-38.1	0	0	112.7	E198 D199 V200 I205 T206	E198-Q202 PolarHBondContact O-N 2.81Å; E198-Q202 PolarHBondContact OE1-NE2 3.42Å; D199-Q202 PolarHBondContact O-N 3.17Å; V200-Q202 VanDerWaalsContact C-N 3.32Å; V200-Q202 PolarHBondContact O-N 2.66Å; Q202-I205 PolarHBondContact O-N 3.45Å; Q202-T206 WeakPolarHBondContact O-CB 3.4Å; Q202-T206 PolarHBondContact O-N 2.9Å; Q202-T206 PolarHBondContact O-OG1 3.35Å
203	R	96.4	Very high	95.2	Very high	43 Å²	43	43 Å²	43	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-47.5	172.5	-66.1	-174.4	-173.1	111.8	21.6	111.7	D199 V200 R201 T206 R207 T519 E526	D199-R203 WeakPolarHBondContact O-CG 3.44Å; D199-R203 PolarHBondContact O-N 3.4Å; D199-R203 IonicContact OD2-CZ 3.88Å; D199-R203 VanDerWaalsContact OD2-CZ 3.3Å; D199-R203 IonicContact OD2-NH1 3.58Å; D199-R203 PolarHBondContact OD2-NH1 3.13Å; D199-R203 IonicContact OD2-NH2 2.8Å; D199-R203 PolarHBondContact OD2-NH2 3.29Å; V200-R203 PolarHBondContact O-N 3.39Å; R201-R203 VanDerWaalsContact C-N 3.3Å; R201-R203 PolarHBondContact O-N 3.39Å; R203-T206 WeakPolarHBondContact O-CB 3.14Å; R203-T206 PolarHBondContact O-N 3.48Å; R203-R207 PolarHBondContact O-N 3.06Å; R203-T519 HydrophobicContact CB-CG2 4.23Å; R203-T519 HydrophobicContact CG-CG2 4.28Å; R203-E526 IonicContact CZ-OE2 2.7Å; R203-E526 IonicContact NH1-OE2 2.76Å; R203-E526 PolarHBondContact NH1-OE2 3.16Å
204	F	97.3	Very high	95.3	Very high	28 Å²	28	43 Å²	43	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-73.2	-32.7	-178.8	-68.7	-67.2	0	0	0	113.3	L194 V200 R201 T206 R207 A208 V527 L529	L194-F204 HydrophobicContact CD2-CD2 4.14Å; V200-F204 HydrophobicContact CG1-CD2 4.04Å; V200-F204 HydrophobicContact CG1-CE2 3.63Å; V200-F204 WeakPolarHBondContact O-CD2 3.43Å; V200-F204 PolarHBondContact O-N 2.82Å; R201-F204 PolarHBondContact O-N 3.33Å; F204-T206 VanDerWaalsContact C-N 3.33Å; F204-R207 WeakPolarHBondContact O-CB 3.48Å; F204-R207 PolarHBondContact O-N 3.45Å; F204-A208 PolarHBondContact O-N 3.3Å; F204-V527 WeakPolarHBondContact CE1-O 3.4Å; F204-L529 HydrophobicContact CD1-CD2 3.74Å; F204-L529 HydrophobicContact CD1-CG 3.73Å; F204-L529 HydrophobicContact CD2-CD2 3.66Å; F204-L529 HydrophobicContact CE1-CB 4.23Å; F204-L529 HydrophobicContact CE1-CD2 3.73Å; F204-L529 HydrophobicContact CE1-CG 3.57Å; F204-L529 HydrophobicContact CE2-CD2 3.65Å; F204-L529 HydrophobicContact CE2-CG 4.4Å; F204-L529 HydrophobicContact CG-CD2 3.73Å; F204-L529 HydrophobicContact CG-CG 4.23Å; F204-L529 HydrophobicContact CZ-CB 4.39Å; F204-L529 HydrophobicContact CZ-CD2 3.7Å; F204-L529 HydrophobicContact CZ-CG 3.96Å
205	I	96	Very high	95.6	Very high	76 Å²	76	44 Å²	44	39%	0.39	21%	0.208	S	C	.	.	H	α-helix	trans	-61.8	-44.7	168.4	-67.9	170.9	0	0	0	109.9	R201 Q202 R207 A208 R209	R201-I205 HydrophobicContact CG-CD1 3.84Å; R201-I205 HydrophobicContact CG-CG1 4.44Å; R201-I205 WeakPolarHBondContact O-CG1 3.45Å; R201-I205 PolarHBondContact O-N 3.26Å; Q202-I205 PolarHBondContact O-N 3.45Å; I205-R207 PolarHBondContact O-N 3.09Å; I205-A208 WeakPolarHBondContact O-CB 3.41Å; I205-A208 PolarHBondContact O-N 2.99Å; I205-R209 WeakPolarHBondContact O-CG 3.34Å; I205-R209 PolarHBondContact O-N 2.88Å
206	T	97.6	Very high	95.9	Very high	26 Å²	26	50.4 Å²	50.4	16%	0.16	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-43	176.7	-57.3	0	0	0	0	111.3	Q202 R203 F204 A208 R209 I210 L325 T519	Q202-T206 WeakPolarHBondContact O-CB 3.4Å; Q202-T206 PolarHBondContact O-N 2.9Å; Q202-T206 PolarHBondContact O-OG1 3.35Å; R203-T206 WeakPolarHBondContact O-CB 3.14Å; R203-T206 PolarHBondContact O-N 3.48Å; F204-T206 VanDerWaalsContact C-N 3.33Å; T206-A208 VanDerWaalsContact C-N 3.33Å; T206-A208 PolarHBondContact O-N 3.48Å; T206-R209 WeakPolarHBondContact O-CB 3.43Å; T206-R209 PolarHBondContact O-N 2.87Å; T206-R209 VanDerWaalsContact O-N 3.1Å; T206-I210 HydrophobicContact CG2-CD1 4.15Å; T206-I210 WeakPolarHBondContact O-CG1 3.28Å; T206-I210 PolarHBondContact O-N 3.31Å; T206-L325 HydrophobicContact CG2-CD1 4.27Å; T206-T519 HydrophobicContact CG2-CG2 3.89Å
207	R	98.6	Very high	96.4	Very high	27 Å²	27	51.3 Å²	51.3	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-54.4	-46.8	172.1	-174.1	172.8	176.7	78.3	-10.3	112.2	R203 F204 I205 R209 I210 I211 T296 I511 D512 T515 V527	R203-R207 PolarHBondContact O-N 3.06Å; F204-R207 WeakPolarHBondContact O-CB 3.48Å; F204-R207 PolarHBondContact O-N 3.45Å; I205-R207 PolarHBondContact O-N 3.09Å; R207-R209 VanDerWaalsContact C-N 3.34Å; R207-R209 PolarHBondContact O-N 2.81Å; R207-I210 PolarHBondContact O-N 3.44Å; R207-I211 HydrophobicContact CG-CD1 4.23Å; R207-I211 WeakPolarHBondContact O-CG1 3.39Å; R207-I211 PolarHBondContact O-N 3.49Å; R207-T296 PolarHBondContact NH2-OG1 3.35Å; R207-I511 PolarHBondContact NH1-O 3.4Å; R207-D512 IonicContact CZ-OD1 3.61Å; R207-D512 IonicContact CZ-OD2 3.78Å; R207-D512 IonicContact NH1-OD1 3.9Å; R207-D512 PolarHBondContact NH1-OD1 2.87Å; R207-D512 IonicContact NH1-OD2 2.75Å; R207-D512 IonicContact NH2-OD1 3.63Å; R207-D512 PolarHBondContact NH2-OD1 3.05Å; R207-D512 IonicContact NH2-OD2 2.85Å; R207-D512 PolarHBondContact NH2-OD2 3.49Å; R207-D512 VanDerWaalsContact NH2-OD2 3.14Å; R207-T515 HydrophobicContact CB-CG2 3.71Å; R207-T515 HydrophobicContact CG-CG2 4.01Å; R207-T515 PolarHBondContact NH1-OG1 3.02Å; R207-V527 WeakPolarHBondContact CD-O 3.31Å
208	A	98.3	Very high	96.7	Very high	47 Å²	47	50.6 Å²	50.6	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-39	177.1	0	0	0	0	0	112.1	F204 I205 T206 I211 N212	F204-A208 PolarHBondContact O-N 3.3Å; I205-A208 WeakPolarHBondContact O-CB 3.41Å; I205-A208 PolarHBondContact O-N 2.99Å; T206-A208 VanDerWaalsContact C-N 3.33Å; T206-A208 PolarHBondContact O-N 3.48Å; A208-I211 PolarHBondContact O-N 3.19Å; A208-N212 WeakPolarHBondContact O-CB 3.49Å; A208-N212 VanDerWaalsContact O-CG 3.22Å; A208-N212 PolarHBondContact O-N 3.18Å; A208-N212 PolarHBondContact O-ND2 3.38Å
209	R	98.3	Very high	97.2	Very high	109 Å²	109	51.1 Å²	51.1	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-40.9	174.2	-69.5	176.4	67.7	-170.9	-1.4	112.4	I205 T206 R207 N212 Y213 L325	I205-R209 WeakPolarHBondContact O-CG 3.34Å; I205-R209 PolarHBondContact O-N 2.88Å; T206-R209 WeakPolarHBondContact O-CB 3.43Å; T206-R209 PolarHBondContact O-N 2.87Å; T206-R209 VanDerWaalsContact O-N 3.1Å; R207-R209 VanDerWaalsContact C-N 3.34Å; R207-R209 PolarHBondContact O-N 2.81Å; R209-N212 PolarHBondContact O-N 3.29Å; R209-Y213 WeakPolarHBondContact O-CB 3.27Å; R209-Y213 PolarHBondContact O-N 3.1Å; R209-L325 HydrophobicContact CB-CD2 3.92Å
210	I	98.7	Very high	97.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-53.5	175.2	-69	162.9	0	0	0	110.1	T206 R207 N212 Y213 V214 L321 L325 L514 T515 L518	T206-I210 HydrophobicContact CG2-CD1 4.15Å; T206-I210 WeakPolarHBondContact O-CG1 3.28Å; T206-I210 PolarHBondContact O-N 3.31Å; R207-I210 PolarHBondContact O-N 3.44Å; I210-N212 VanDerWaalsContact C-N 3.33Å; I210-N212 PolarHBondContact O-N 3.01Å; I210-Y213 WeakPolarHBondContact O-CB 3.15Å; I210-Y213 PolarHBondContact O-N 3.48Å; I210-Y213 VanDerWaalsContact O-N 3.12Å; I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 3.15Å; I210-L321 HydrophobicContact CG1-CD1 4.3Å; I210-L321 HydrophobicContact CG1-CD2 4.35Å; I210-L321 HydrophobicContact CG2-CD2 4.01Å; I210-L325 HydrophobicContact CG1-CD1 3.81Å; I210-L514 HydrophobicContact CG2-CD2 3.8Å; I210-L514 HydrophobicContact CG2-CG 4.39Å; I210-T515 HydrophobicContact CD1-CG2 4.25Å; I210-L518 HydrophobicContact CD1-CB 4.17Å; I210-L518 HydrophobicContact CD1-CD1 3.76Å; I210-L518 HydrophobicContact CG1-CD1 3.99Å
211	I	98.8	Very high	97.8	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.138	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-46.4	179.8	-72.9	169.6	0	0	0	111.2	R207 A208 Y213 V214 R215 L278 I511	R207-I211 HydrophobicContact CG-CD1 4.23Å; R207-I211 WeakPolarHBondContact O-CG1 3.39Å; R207-I211 PolarHBondContact O-N 3.49Å; A208-I211 PolarHBondContact O-N 3.19Å; I211-Y213 VanDerWaalsContact C-N 3.31Å; I211-Y213 PolarHBondContact O-N 3.21Å; I211-V214 PolarHBondContact O-N 3.37Å; I211-R215 PolarHBondContact O-N 2.73Å; I211-L278 HydrophobicContact CB-CD1 4.42Å; I211-L278 HydrophobicContact CG1-CD1 4.36Å; I211-L278 HydrophobicContact CG2-CD1 3.8Å; I211-L278 HydrophobicContact CG2-CD2 4.24Å; I211-I511 HydrophobicContact CD1-CG2 4.23Å; I211-I511 HydrophobicContact CG1-CG2 3.84Å
212	N	98.6	Very high	98	Very high	77 Å²	77	56.4 Å²	56.4	41%	0.412	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-33.4	179	-71.9	-20	0	0	0	112.8	A208 R209 I210 R216	A208-N212 WeakPolarHBondContact O-CB 3.49Å; A208-N212 VanDerWaalsContact O-CG 3.22Å; A208-N212 PolarHBondContact O-N 3.18Å; A208-N212 PolarHBondContact O-ND2 3.38Å; R209-N212 PolarHBondContact O-N 3.29Å; I210-N212 VanDerWaalsContact C-N 3.33Å; I210-N212 PolarHBondContact O-N 3.01Å; N212-R216 VanDerWaalsContact O-CG 3.28Å; N212-R216 WeakPolarHBondContact O-CG 3.47Å; N212-R216 PolarHBondContact O-N 2.94Å; N212-R216 VanDerWaalsContact O-N 3.15Å
213	Y	98.8	Very high	98.3	Very high	47 Å²	47	53.4 Å²	53.4	18%	0.184	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-46.2	175.2	-175.1	-83.9	0	0	0	111.2	R209 I210 I211 R215 R216 F217 L317 G320 L321 H324	R209-Y213 WeakPolarHBondContact O-CB 3.27Å; R209-Y213 PolarHBondContact O-N 3.1Å; I210-Y213 WeakPolarHBondContact O-CB 3.15Å; I210-Y213 PolarHBondContact O-N 3.48Å; I210-Y213 VanDerWaalsContact O-N 3.12Å; I211-Y213 VanDerWaalsContact C-N 3.31Å; I211-Y213 PolarHBondContact O-N 3.21Å; Y213-R215 PolarHBondContact O-N 2.92Å; Y213-R216 PolarHBondContact O-N 3.38Å; Y213-F217 HydrophobicContact CE1-CB 4.45Å; Y213-F217 HydrophobicContact CE1-CD2 4.43Å; Y213-F217 WeakPolarHBondContact O-CB 3.19Å; Y213-F217 PolarHBondContact O-N 2.89Å; Y213-L317 HydrophobicContact CD1-CD1 4.19Å; Y213-L317 HydrophobicContact CE1-CD1 4.05Å; Y213-G320 WeakPolarHBondContact OH-CA 3.48Å; Y213-G320 PolarHBondContact OH-O 3.49Å; Y213-L321 HydrophobicContact CD1-CB 3.76Å; Y213-L321 HydrophobicContact CD1-CD1 3.66Å; Y213-L321 HydrophobicContact CD1-CG 4.24Å; Y213-L321 HydrophobicContact CD2-CD1 4.28Å; Y213-L321 HydrophobicContact CE1-CB 3.67Å; Y213-L321 HydrophobicContact CE1-CD1 4.37Å; Y213-L321 HydrophobicContact CG-CB 4.45Å; Y213-L321 HydrophobicContact CG-CD1 3.61Å; Y213-L321 PolarHBondContact OH-N 2.73Å; Y213-H324 HydrophobicContact CD2-CB 4.03Å; Y213-H324 AromaticContact CD2-CD2 3.66Å; Y213-H324 AromaticContact CD2-CG 3.75Å; Y213-H324 HydrophobicContact CE2-CB 3.62Å; Y213-H324 AromaticContact CE2-CG 3.72Å
214	V	98.7	Very high	98.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-47.4	177.6	173	0	0	0	0	110.9	I210 I211 F217 L218 C298 L317 L509 I511	I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 3.15Å; I211-V214 PolarHBondContact O-N 3.37Å; V214-F217 PolarHBondContact O-N 3.46Å; V214-L218 HydrophobicContact CG1-CD1 4.09Å; V214-L218 WeakPolarHBondContact O-CG 3.45Å; V214-L218 PolarHBondContact O-N 3.05Å; V214-L218 VanDerWaalsContact O-N 3.1Å; V214-C298 HydrophobicContact CG1-CB 4.3Å; V214-L317 HydrophobicContact CG2-CD1 4.34Å; V214-L509 HydrophobicContact CG2-CD2 4.49Å; V214-I511 HydrophobicContact CG2-CD1 4.45Å
215	R	98.8	Very high	98.5	Very high	68 Å²	68	58.3 Å²	58.3	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-55.1	-56.1	174.6	-75.7	-166	169.8	102	5.2	111.9	I211 Y213 F217 L218 D219 E225 Y276	I211-R215 PolarHBondContact O-N 2.73Å; Y213-R215 PolarHBondContact O-N 2.92Å; R215-F217 VanDerWaalsContact C-N 3.29Å; R215-F217 PolarHBondContact O-N 2.81Å; R215-L218 PolarHBondContact O-N 3.31Å; R215-L218 VanDerWaalsContact O-N 3.14Å; R215-D219 WeakPolarHBondContact O-CB 3.35Å; R215-D219 PolarHBondContact O-N 2.97Å; R215-E225 IonicContact CZ-OE1 2.8Å; R215-E225 VanDerWaalsContact CZ-OE1 3.29Å; R215-E225 IonicContact NE-OE1 3.99Å; R215-E225 PolarHBondContact NE-OE1 3.47Å; R215-E225 IonicContact NE-OE2 2.81Å; R215-E225 PolarHBondContact NE-OE2 2.75Å; R215-E225 IonicContact NH2-OE1 2.66Å; R215-E225 PolarHBondContact NH2-OE1 2.78Å; R215-Y276 HydrophobicContact CG-CE2 4.14Å
216	R	98.6	Very high	98.6	Very high	163 Å²	163	55.8 Å²	55.8	62%	0.615	28%	0.283	S	S	*	.	H	α-helix	trans	-57.3	-42.2	-179.5	-73.1	175.9	-170.4	-178.8	2.8	112.5	N212 Y213 L218 D219 D220	N212-R216 VanDerWaalsContact O-CG 3.28Å; N212-R216 WeakPolarHBondContact O-CG 3.47Å; N212-R216 PolarHBondContact O-N 2.94Å; N212-R216 VanDerWaalsContact O-N 3.15Å; Y213-R216 PolarHBondContact O-N 3.38Å; R216-L218 PolarHBondContact O-N 3.41Å; R216-D219 PolarHBondContact O-N 3.33Å; R216-D220 VanDerWaalsContact O-CB 3.24Å; R216-D220 WeakPolarHBondContact O-CB 3.26Å; R216-D220 PolarHBondContact O-N 2.76Å
217	F	98.8	Very high	98.6	Very high	34 Å²	34	63.3 Å²	63.3	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-45.5	178.8	-179.7	-84.1	0	0	0	111.6	Y213 V214 R215 L221 I313 D316 L317	Y213-F217 HydrophobicContact CE1-CB 4.45Å; Y213-F217 HydrophobicContact CE1-CD2 4.43Å; Y213-F217 WeakPolarHBondContact O-CB 3.19Å; Y213-F217 PolarHBondContact O-N 2.89Å; V214-F217 PolarHBondContact O-N 3.46Å; R215-F217 VanDerWaalsContact C-N 3.29Å; R215-F217 PolarHBondContact O-N 2.81Å; F217-L221 HydrophobicContact CD1-CD1 4.01Å; F217-L221 HydrophobicContact CE1-CD1 3.49Å; F217-L221 VanDerWaalsContact CE1-CD1 3.49Å; F217-L221 HydrophobicContact CZ-CD1 4.04Å; F217-L221 WeakPolarHBondContact O-CG 3.22Å; F217-L221 PolarHBondContact O-N 3.43Å; F217-I313 HydrophobicContact CE1-CG2 3.88Å; F217-I313 HydrophobicContact CZ-CG2 4.29Å; F217-D316 HydrophobicContact CE2-CB 4.14Å; F217-D316 HydrophobicContact CZ-CB 4.06Å; F217-L317 HydrophobicContact CB-CD1 3.76Å; F217-L317 HydrophobicContact CD1-CB 4.17Å; F217-L317 HydrophobicContact CD1-CD1 3.6Å; F217-L317 HydrophobicContact CD1-CG 4.33Å; F217-L317 HydrophobicContact CD2-CB 4.43Å; F217-L317 HydrophobicContact CD2-CD1 3.96Å; F217-L317 HydrophobicContact CE1-CB 3.8Å; F217-L317 HydrophobicContact CE1-CD1 4.14Å; F217-L317 HydrophobicContact CE1-CG 4.42Å; F217-L317 HydrophobicContact CE2-CB 4.08Å; F217-L317 HydrophobicContact CE2-CD1 4.46Å; F217-L317 HydrophobicContact CG-CB 4.47Å; F217-L317 HydrophobicContact CG-CD1 3.49Å; F217-L317 VanDerWaalsContact CG-CD1 3.49Å; F217-L317 HydrophobicContact CZ-CB 3.75Å
218	L	98.8	Very high	98.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-72.8	-39.9	178.5	-65.7	173.6	0	0	0	112.1	V214 R215 R216 D220 L221 G222 F223 Y276 F300	V214-L218 HydrophobicContact CG1-CD1 4.09Å; V214-L218 WeakPolarHBondContact O-CG 3.45Å; V214-L218 PolarHBondContact O-N 3.05Å; V214-L218 VanDerWaalsContact O-N 3.1Å; R215-L218 PolarHBondContact O-N 3.31Å; R215-L218 VanDerWaalsContact O-N 3.14Å; R216-L218 PolarHBondContact O-N 3.41Å; L218-D220 VanDerWaalsContact C-N 3.34Å; L218-D220 PolarHBondContact O-N 2.96Å; L218-L221 CarbonylContact O-C 3.51Å; L218-L221 WeakPolarHBondContact O-CA 3.33Å; L218-L221 PolarHBondContact O-N 3.38Å; L218-L221 VanDerWaalsContact O-N 3.13Å; L218-G222 PolarHBondContact O-N 2.82Å; L218-F223 HydrophobicContact CB-CB 4.16Å; L218-F223 HydrophobicContact CB-CD2 4.4Å; L218-F223 HydrophobicContact CB-CG 4.33Å; L218-F223 HydrophobicContact CD2-CD2 4.2Å; L218-F223 HydrophobicContact CD2-CE2 4.25Å; L218-F223 HydrophobicContact CD2-CG 4.41Å; L218-F223 WeakPolarHBondContact O-CB 3.46Å; L218-F223 WeakPolarHBondContact O-CD2 3.34Å; L218-F223 PolarHBondContact O-N 2.9Å; L218-Y276 HydrophobicContact CB-CD1 4.08Å; L218-Y276 HydrophobicContact CB-CE1 4.08Å; L218-Y276 HydrophobicContact CB-CG 4.34Å; L218-Y276 HydrophobicContact CD1-CD1 4.25Å; L218-Y276 HydrophobicContact CD1-CD2 3.65Å; L218-Y276 HydrophobicContact CD1-CE2 4.2Å; L218-Y276 HydrophobicContact CD1-CG 3.65Å; L218-F300 HydrophobicContact CD1-CD1 4.35Å; L218-F300 HydrophobicContact CD2-CD1 3.86Å; L218-F300 HydrophobicContact CD2-CE1 4.2Å; L218-F300 HydrophobicContact CD2-CG 4.2Å
219	D	98.7	Very high	98.6	Very high	75 Å²	75	63.4 Å²	63.4	40%	0.401	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-43.2	175.5	-64	-17.8	0	0	0	111	R215 R216 L221 G222 Y276	R215-D219 WeakPolarHBondContact O-CB 3.35Å; R215-D219 PolarHBondContact O-N 2.97Å; R216-D219 PolarHBondContact O-N 3.33Å; D219-L221 PolarHBondContact O-N 3.08Å; D219-G222 WeakPolarHBondContact O-CA 3.34Å; D219-G222 PolarHBondContact O-N 3.16Å; D219-Y276 WeakPolarHBondContact OD1-CE1 3.29Å; D219-Y276 PolarHBondContact OD1-OH 3.12Å
220	D	98.6	Very high	98.6	Very high	145 Å²	145	61.7 Å²	61.7	78%	0.775	31%	0.313	S	S	*	.	H	α-helix	trans	-66.4	-26.2	177.3	-73	-20.8	0	0	0	111.9	R216 L218 G222	R216-D220 VanDerWaalsContact O-CB 3.24Å; R216-D220 WeakPolarHBondContact O-CB 3.26Å; R216-D220 PolarHBondContact O-N 2.76Å; L218-D220 VanDerWaalsContact C-N 3.34Å; L218-D220 PolarHBondContact O-N 2.96Å; D220-G222 VanDerWaalsContact C-N 3.25Å
221	L	98.3	Very high	98.6	Very high	64 Å²	64	65.9 Å²	65.9	34%	0.335	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.1	169.8	-69.4	178.1	0	0	0	113.1	F217 L218 D219 F223 R274 I313	F217-L221 HydrophobicContact CD1-CD1 4.01Å; F217-L221 HydrophobicContact CE1-CD1 3.49Å; F217-L221 VanDerWaalsContact CE1-CD1 3.49Å; F217-L221 HydrophobicContact CZ-CD1 4.04Å; F217-L221 WeakPolarHBondContact O-CG 3.22Å; F217-L221 PolarHBondContact O-N 3.43Å; L218-L221 CarbonylContact O-C 3.51Å; L218-L221 WeakPolarHBondContact O-CA 3.33Å; L218-L221 PolarHBondContact O-N 3.38Å; L218-L221 VanDerWaalsContact O-N 3.13Å; D219-L221 PolarHBondContact O-N 3.08Å; L221-F223 HydrophobicContact CB-CD2 3.77Å; L221-F223 HydrophobicContact CB-CE2 3.89Å; L221-F223 HydrophobicContact CD1-CE2 4.34Å; L221-R274 PolarHBondContact O-NH1 3.3Å; L221-I313 HydrophobicContact CD1-CG2 4.43Å
222	G	98.5	Very high	98.5	Very high	54 Å²	54	64.8 Å²	64.8	56%	0.557	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	26.1	176.9	0	0	0	0	0	114.2	L218 D219 D220	L218-G222 PolarHBondContact O-N 2.82Å; D219-G222 WeakPolarHBondContact O-CA 3.34Å; D219-G222 PolarHBondContact O-N 3.16Å; D220-G222 VanDerWaalsContact C-N 3.25Å
223	F	98.8	Very high	98.3	Very high	12 Å²	12	64.4 Å²	64.4	5%	0.053	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-75.2	151.2	168.1	-73.5	-108.5	0	0	0	111.1	L218 L221 R274 Y276 F300 M302	L218-F223 HydrophobicContact CB-CB 4.16Å; L218-F223 HydrophobicContact CB-CD2 4.4Å; L218-F223 HydrophobicContact CB-CG 4.33Å; L218-F223 HydrophobicContact CD2-CD2 4.2Å; L218-F223 HydrophobicContact CD2-CE2 4.25Å; L218-F223 HydrophobicContact CD2-CG 4.41Å; L218-F223 WeakPolarHBondContact O-CB 3.46Å; L218-F223 WeakPolarHBondContact O-CD2 3.34Å; L218-F223 PolarHBondContact O-N 2.9Å; L221-F223 HydrophobicContact CB-CD2 3.77Å; L221-F223 HydrophobicContact CB-CE2 3.89Å; L221-F223 HydrophobicContact CD1-CE2 4.34Å; F223-R274 HydrophobicContact CB-CB 4.27Å; F223-R274 HydrophobicContact CD1-CB 3.69Å; F223-R274 HydrophobicContact CD2-CB 4.17Å; F223-R274 HydrophobicContact CE1-CB 3.98Å; F223-R274 HydrophobicContact CE1-CG 4.39Å; F223-R274 HydrophobicContact CE2-CB 4.45Å; F223-R274 HydrophobicContact CE2-CG 4.46Å; F223-R274 HydrophobicContact CG-CB 3.79Å; F223-R274 HydrophobicContact CZ-CB 4.37Å; F223-R274 HydrophobicContact CZ-CG 4.37Å; F223-Y276 HydrophobicContact CB-CD1 3.68Å; F223-Y276 HydrophobicContact CB-CE1 4.23Å; F223-F300 HydrophobicContact CD1-CB 4.05Å; F223-F300 HydrophobicContact CD1-CD2 4.5Å; F223-F300 HydrophobicContact CE1-CB 3.79Å; F223-F300 AromaticContact CE1-CD2 3.47Å; F223-F300 HydrophobicContact CE1-CD2 3.47Å; F223-F300 VanDerWaalsContact CE1-CD2 3.47Å; F223-F300 HydrophobicContact CE1-CE2 4.32Å; F223-F300 AromaticContact CE1-CG 3.91Å; F223-F300 HydrophobicContact CE1-CG 3.91Å; F223-F300 AromaticContact CZ-CD2 3.67Å; F223-F300 HydrophobicContact CZ-CD2 3.67Å; F223-F300 HydrophobicContact CZ-CE2 4.07Å; F223-F300 HydrophobicContact CZ-CG 4.32Å; F223-M302 HydrophobicContact CE1-CB 4.17Å; F223-M302 HydrophobicContact CE2-SD 4.33Å; F223-M302 HydrophobicContact CZ-CB 3.91Å; F223-M302 HydrophobicContact CZ-CG 4.16Å; F223-M302 HydrophobicContact CZ-SD 3.89Å
224	L	98.7	Very high	97.9	Very high	91 Å²	91	64.8 Å²	64.8	48%	0.476	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.5	171.2	-179.2	64.8	0	0	0	110	V226 L272 R274 V275 Y276	L224-V226 HydrophobicContact CD2-CG1 4.07Å; L224-V226 HydrophobicContact CG-CG1 3.98Å; L224-V226 PolarHBondContact O-N 2.8Å; L224-L272 HydrophobicContact CD2-CD1 4.18Å; L224-L272 HydrophobicContact CD2-CD2 4.28Å; L224-R274 PolarHBondContact N-O 2.88Å; L224-V275 WeakPolarHBondContact O-CA 3.43Å; L224-Y276 PolarHBondContact O-N 3.42Å
225	E	98.8	Very high	97.5	Very high	82 Å²	82	65.6 Å²	65.6	38%	0.383	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	127.4	168.5	-163.6	171.4	-167.7	0	0	109.1	R215 Y276	R215-E225 IonicContact CZ-OE1 2.8Å; R215-E225 VanDerWaalsContact CZ-OE1 3.29Å; R215-E225 IonicContact NE-OE1 3.99Å; R215-E225 PolarHBondContact NE-OE1 3.47Å; R215-E225 IonicContact NE-OE2 2.81Å; R215-E225 PolarHBondContact NE-OE2 2.75Å; R215-E225 IonicContact NH2-OE1 2.66Å; R215-E225 PolarHBondContact NH2-OE1 2.78Å; E225-Y276 CarbonylContact C-O 3.54Å; E225-Y276 WeakPolarHBondContact CA-O 3.43Å; E225-Y276 HydrophobicContact CB-CD1 4.21Å; E225-Y276 HydrophobicContact CB-CE1 3.58Å; E225-Y276 HydrophobicContact CB-CE2 4.08Å; E225-Y276 HydrophobicContact CG-CD2 4.35Å; E225-Y276 HydrophobicContact CG-CE1 4.19Å; E225-Y276 HydrophobicContact CG-CE2 3.74Å
226	V	98.8	Very high	97.2	Very high	23 Å²	23	62.7 Å²	62.7	14%	0.139	33%	0.332	C	S	.	.			trans	-130.2	163	-179.6	-61.1	0	0	0	0	110.8	L224 L264 L267 V275 Y276 E277	L224-V226 HydrophobicContact CD2-CG1 4.07Å; L224-V226 HydrophobicContact CG-CG1 3.98Å; L224-V226 PolarHBondContact O-N 2.8Å; V226-L264 HydrophobicContact CG2-CD2 3.53Å; V226-L267 HydrophobicContact CB-CD1 4.12Å; V226-L267 HydrophobicContact CG1-CD1 4.18Å; V226-L267 HydrophobicContact CG2-CD1 3.74Å; V226-V275 HydrophobicContact CG1-CB 4.34Å; V226-V275 HydrophobicContact CG1-CG1 4.15Å; V226-V275 HydrophobicContact CG2-CB 4.1Å; V226-Y276 PolarHBondContact N-O 2.87Å; V226-E277 HydrophobicContact CG2-CB 4.45Å; V226-E277 WeakPolarHBondContact O-CB 3.5Å; V226-E277 WeakPolarHBondContact O-CG 3.12Å
227	E	98.8	Very high	96.8	Very high	184 Å²	184	55.3 Å²	55.3	86%	0.86	31%	0.306	S	S	*	.			trans	-124.5	125.4	173.3	-66.1	-179.8	94.3	0	0	109.2
228	T	98.5	Very high	96.4	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.098	31%	0.305	C	S	.	.			trans	-109.7	162.5	177.9	66.9	0	0	0	0	111.2	M230 R257 P260 Y263 L264 L267 E277	T228-M230 PolarHBondContact O-N 2.76Å; T228-R257 PolarHBondContact O-NH1 2.86Å; T228-R257 PolarHBondContact OG1-NH1 2.79Å; T228-P260 VanDerWaalsContact OG1-CB 3.31Å; T228-P260 WeakPolarHBondContact OG1-CB 3.1Å; T228-Y263 HydrophobicContact CG2-CG 4.48Å; T228-L264 HydrophobicContact CG2-CD2 3.76Å; T228-L264 HydrophobicContact CG2-CG 4.34Å; T228-L267 HydrophobicContact CG2-CD1 4.4Å; T228-E277 WeakPolarHBondContact CB-OE2 3.34Å; T228-E277 WeakPolarHBondContact CG2-OE2 3.33Å; T228-E277 PolarHBondContact N-OE1 2.79Å; T228-E277 PolarHBondContact N-OE2 3.05Å; T228-E277 VanDerWaalsContact N-OE2 3.09Å; T228-E277 PolarHBondContact OG1-OE2 2.76Å
229	P	98.2	Very high	96	Very high	60 Å²	60	57.3 Å²	57.3	39%	0.39	33%	0.329	S	S	.	.			trans	-54.5	133.1	-179.2	-27.9	36.8	0	0	0	113.4	N232 R257 Y263	P229-N232 PolarHBondContact O-OD1 3Å; P229-R257 WeakPolarHBondContact O-CD 3.49Å; P229-Y263 HydrophobicContact CB-CE2 4.28Å; P229-Y263 HydrophobicContact CG-CD1 4.32Å; P229-Y263 HydrophobicContact CG-CE1 3.83Å; P229-Y263 HydrophobicContact CG-CE2 4.34Å
230	M	98.4	Very high	95.7	Very high	73 Å²	73	54 Å²	54	36%	0.36	31%	0.312	S	S	.	.	S	Bend	trans	-90.2	-14.9	169.9	-68.5	-175.4	-175.7	0	0	113	T228 M256 R257 F282	T228-M230 PolarHBondContact O-N 2.76Å; M230-M256 CarbonylContact O-C 3.56Å; M230-M256 WeakPolarHBondContact O-CA 3.34Å; M230-R257 HydrophobicContact CB-CG 4.45Å; M230-R257 PolarHBondContact O-N 3.19Å; M230-F282 HydrophobicContact CB-CE2 4.46Å; M230-F282 HydrophobicContact SD-CE2 4.28Å
231	M	97.9	Very high	95.5	Very high	88 Å²	88	51.7 Å²	51.7	43%	0.433	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	110.8	177.9	-61.3	177.7	72.2	0	0	108.3	T245 L254 Y255 M256	M231-T245 HydrophobicContact CE-CG2 3.59Å; M231-L254 HydrophobicContact CB-CB 4.47Å; M231-L254 HydrophobicContact CB-CD1 4.2Å; M231-L254 HydrophobicContact CE-CB 4.26Å; M231-L254 HydrophobicContact CE-CD1 3.57Å; M231-Y255 CarbonylContact C-O 3.53Å; M231-Y255 WeakPolarHBondContact CA-O 3.49Å; M231-M256 HydrophobicContact CG-CE 4.3Å; M231-M256 HydrophobicContact CG-SD 4Å
232	N	95.6	Very high	95.4	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.4	-173.3	-57	-19.6	0	0	0	110.5	P229 I234 L254 Y255 Y263	P229-N232 PolarHBondContact O-OD1 3Å; N232-I234 WeakPolarHBondContact CB-O 3.28Å; N232-I234 PolarHBondContact O-N 3.37Å; N232-L254 CarbonylContact O-C 3.51Å; N232-L254 WeakPolarHBondContact O-CA 3.39Å; N232-Y255 PolarHBondContact N-O 2.59Å; N232-Y255 PolarHBondContact O-N 2.74Å; N232-Y263 WeakPolarHBondContact OD1-CE2 3.37Å; N232-Y263 PolarHBondContact OD1-OH 2.77Å
233	T	94.4	Very high	95.3	Very high	69 Å²	69	50.3 Å²	50.3	42%	0.423	27%	0.274	S	S	.	.	S	Bend	trans	-67.5	-29.1	168.9	57.7	0	0	0	0	111.5	M252 L254 Y255	T233-M252 HydrophobicContact CG2-CE 3.48Å; T233-M252 VanDerWaalsContact CG2-CE 3.48Å; T233-L254 HydrophobicContact CG2-CD2 4.18Å; T233-Y255 WeakPolarHBondContact O-CD2 3.34Å; T233-Y255 WeakPolarHBondContact O-CE2 3.48Å
234	I	91.5	Very high	95.2	Very high	54 Å²	54	54.9 Å²	54.9	28%	0.277	30%	0.298	S	S	.	.	S	Bend	trans	-135.4	128.3	178.7	-71.8	172.3	0	0	0	108.3	N232 V488	N232-I234 WeakPolarHBondContact CB-O 3.28Å; N232-I234 PolarHBondContact O-N 3.37Å; I234-V488 HydrophobicContact CB-CG2 4.35Å; I234-V488 HydrophobicContact CG1-CG2 4.45Å; I234-V488 HydrophobicContact CG2-CG2 3.21Å
235	A	90.9	Very high	95.2	Very high	17 Å²	17	53.3 Å²	53.3	14%	0.14	29%	0.292	C	S	.	.			trans	-81.4	133.2	170.6	0	0	0	0	0	110.6	P242 Y255	A235-P242 HydrophobicContact CB-CB 3.69Å; A235-P242 HydrophobicContact CB-CG 3.95Å; A235-Y255 HydrophobicContact CB-CG 4.38Å
236	G	91.1	Very high	95.1	Very high	8 Å²	8	54.2 Å²	54.2	8%	0.082	29%	0.293	C	S	.	.			trans	-159.7	178.3	178.7	0	0	0	0	0	111.8	V258	G236-V258 WeakPolarHBondContact O-CG2 3.33Å
237	G	89.8	Confident	95.1	Very high	7 Å²	7	56.4 Å²	56.4	7%	0.072	30%	0.301	C	S	.	.	S	Bend	trans	89.1	-8.2	-179	0	0	0	0	0	115.3
238	A	91.6	Very high	95	Very high	15 Å²	15	54.2 Å²	54.2	12%	0.124	30%	0.295	C	S	.	.	S	Bend	trans	-152.6	155	170.5	0	0	0	0	0	110.8	A240 V258 A259	A238-A240 HydrophobicContact CB-CB 4.48Å; A238-A240 PolarHBondContact O-N 2.97Å; A238-V258 HydrophobicContact CB-CB 4.39Å; A238-V258 HydrophobicContact CB-CG2 4.08Å; A238-A259 HydrophobicContact CB-CB 4.11Å
239	A	89.8	Confident	94.9	Very high	61 Å²	61	60.5 Å²	60.5	50%	0.504	33%	0.328	S	S	.	.	S	Bend	trans	-78.5	95	166.8	0	0	0	0	0	108.4	E485	A239-E485 CarbonylContact C-O 3.59Å; A239-E485 VanDerWaalsContact CA-O 3.29Å; A239-E485 WeakPolarHBondContact CA-O 2.92Å; A239-E485 HydrophobicContact CB-CB 4.48Å
240	A	92.7	Very high	94.9	Very high	6 Å²	6	62.6 Å²	62.6	5%	0.05	34%	0.336	C	S	.	.			trans	-160.9	145.3	-174.4	0	0	0	0	0	111.2	A238 P242 V258 R283 E285 E485	A238-A240 HydrophobicContact CB-CB 4.48Å; A238-A240 PolarHBondContact O-N 2.97Å; A240-P242 WeakPolarHBondContact O-CD 3.33Å; A240-V258 HydrophobicContact CB-CB 3.91Å; A240-V258 HydrophobicContact CB-CG1 3.83Å; A240-R283 HydrophobicContact CB-CB 4.42Å; A240-R283 HydrophobicContact CB-CG 3.77Å; A240-E285 WeakPolarHBondContact CA-OE1 3.4Å; A240-E285 VanDerWaalsContact CB-OE1 3.23Å; A240-E285 WeakPolarHBondContact CB-OE1 3.31Å; A240-E485 PolarHBondContact N-O 3.22Å; A240-E485 VanDerWaalsContact N-O 3.15Å
241	K	93.6	Very high	94.8	Very high	96 Å²	96	64.9 Å²	64.9	42%	0.417	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-77.5	122.5	174.7	-174.3	176.9	176.4	-178.5	0	110.1	N284 A484	K241-N284 HydrophobicContact CG-CB 4.29Å; K241-N284 WeakPolarHBondContact O-CB 3.43Å; K241-N284 PolarHBondContact O-N 3.28Å; K241-A484 HydrophobicContact CD-CB 4.33Å
242	P	96.1	Very high	94.7	Very high	21 Å²	21	63.5 Å²	63.5	14%	0.136	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-81.4	159.3	-177.4	32.4	-36	0	0	0	113.2	A235 A240 Y255 V258	A235-P242 HydrophobicContact CB-CB 3.69Å; A235-P242 HydrophobicContact CB-CG 3.95Å; A240-P242 WeakPolarHBondContact O-CD 3.33Å; P242-Y255 HydrophobicContact CB-CD1 4.04Å; P242-Y255 HydrophobicContact CG-CD1 3.76Å; P242-Y255 HydrophobicContact CG-CE1 4.36Å; P242-V258 HydrophobicContact CB-CG1 4.12Å
243	F	97.3	Very high	94.8	Very high	68 Å²	68	67.6 Å²	67.6	30%	0.298	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-79.9	142.5	159.8	-72.1	-86.5	0	0	0	110	Y255 M256 F282 R283 N284 P293	F243-Y255 CarbonylContact O-C 3.44Å; F243-Y255 VanDerWaalsContact O-CA 3.27Å; F243-Y255 WeakPolarHBondContact O-CA 3.35Å; F243-M256 HydrophobicContact CB-CB 4.03Å; F243-M256 HydrophobicContact CB-CG 3.79Å; F243-M256 PolarHBondContact O-N 2.86Å; F243-F282 HydrophobicContact CD2-CB 3.81Å; F243-F282 HydrophobicContact CE2-CB 4.26Å; F243-R283 VanDerWaalsContact CE2-C 3.48Å; F243-R283 WeakPolarHBondContact CE2-O 3.46Å; F243-N284 HydrophobicContact CD1-CB 4.12Å; F243-N284 HydrophobicContact CD2-CB 4Å; F243-N284 HydrophobicContact CE1-CB 4.04Å; F243-N284 HydrophobicContact CE2-CB 3.94Å; F243-N284 HydrophobicContact CG-CB 4.1Å; F243-N284 HydrophobicContact CZ-CB 3.95Å; F243-P293 HydrophobicContact CE2-CB 4.13Å; F243-P293 HydrophobicContact CZ-CB 3.86Å
244	I	97.3	Very high	95	Very high	109 Å²	109	65 Å²	65	56%	0.559	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	135	178.9	-45.8	-177.2	0	0	0	108.4	N253 Y255	I244-N253 HydrophobicContact CG2-CB 4.34Å; I244-Y255 HydrophobicContact CB-CD1 4.47Å; I244-Y255 HydrophobicContact CB-CE1 4.42Å; I244-Y255 HydrophobicContact CD1-CD1 4.5Å; I244-Y255 HydrophobicContact CD1-CE1 3.84Å; I244-Y255 HydrophobicContact CG1-CD1 3.82Å; I244-Y255 HydrophobicContact CG1-CE1 3.65Å; I244-Y255 HydrophobicContact CG2-CD1 4.49Å; I244-Y255 HydrophobicContact CG2-CE1 4.19Å
245	T	98	Very high	95.3	Very high	58 Å²	58	65.7 Å²	65.7	36%	0.356	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	175.2	173.5	-168.1	0	0	0	0	109.8	M231 N253 L254 M256	M231-T245 HydrophobicContact CE-CG2 3.59Å; T245-N253 WeakPolarHBondContact O-CA 3.47Å; T245-L254 HydrophobicContact CG2-CB 3.93Å; T245-L254 PolarHBondContact N-O 3.22Å; T245-L254 PolarHBondContact O-N 3.11Å; T245-L254 VanDerWaalsContact O-O 3.08Å; T245-M256 HydrophobicContact CG2-SD 4.31Å
246	Y	97.8	Very high	95.6	Very high	101 Å²	101	66.8 Å²	66.8	40%	0.396	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.2	-175.3	179.5	-100.5	0	0	0	110.9	N248 N251 M252	Y246-N248 VanDerWaalsContact CD1-OD1 3.25Å; Y246-N248 WeakPolarHBondContact CD1-OD1 3.49Å; Y246-N248 WeakPolarHBondContact CE1-OD1 3.42Å; Y246-N251 WeakPolarHBondContact OH-CA 3.46Å; Y246-N251 PolarHBondContact OH-OD1 3.27Å; Y246-M252 WeakPolarHBondContact CD2-O 3.36Å
247	H	97.4	Very high	95.9	Very high	69 Å²	69	66.5 Å²	66.5	32%	0.319	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109	175.2	-167.6	-53.3	0	0	0	109.5	D249 L250 N251 M252 L254	H247-D249 PolarHBondContact ND1-N 3.42Å; H247-D249 PolarHBondContact O-N 3.15Å; H247-L250 HydrophobicContact CB-CB 4.28Å; H247-L250 PolarHBondContact ND1-N 3.35Å; H247-N251 WeakPolarHBondContact O-CA 3.34Å; H247-N251 PolarHBondContact O-N 2.79Å; H247-M252 HydrophobicContact CB-CG 4.35Å; H247-M252 PolarHBondContact N-O 3Å; H247-M252 PolarHBondContact O-N 2.92Å; H247-L254 HydrophobicContact CB-CD1 3.83Å; H247-L254 HydrophobicContact CB-CG 4.44Å
248	N	97.3	Very high	96.3	Very high	137 Å²	137	66.2 Å²	66.2	73%	0.733	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-48	-174.1	-67	-30.3	0	0	0	113.4	Y246 N251	Y246-N248 VanDerWaalsContact CD1-OD1 3.25Å; Y246-N248 WeakPolarHBondContact CD1-OD1 3.49Å; Y246-N248 WeakPolarHBondContact CE1-OD1 3.42Å; N248-N251 PolarHBondContact O-N 2.73Å
249	D	96.9	Very high	96.6	Very high	148 Å²	148	65.8 Å²	65.8	79%	0.791	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-43.6	-174.8	-163.1	45.6	0	0	0	113	H247 N251	H247-D249 PolarHBondContact ND1-N 3.42Å; H247-D249 PolarHBondContact O-N 3.15Å; D249-N251 PolarHBondContact O-N 3.41Å
250	L	96.9	Very high	97	Very high	105 Å²	105	62.9 Å²	62.9	55%	0.55	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.9	175.7	-62	179.7	0	0	0	113.8	H247 M252	H247-L250 HydrophobicContact CB-CB 4.28Å; H247-L250 PolarHBondContact ND1-N 3.35Å; L250-M252 VanDerWaalsContact C-N 3.31Å; L250-M252 HydrophobicContact CB-CG 3.75Å; L250-M252 HydrophobicContact CB-SD 3.82Å; L250-M252 HydrophobicContact CD1-SD 4.03Å; L250-M252 PolarHBondContact O-N 2.7Å
251	N	96.4	Very high	97.3	Very high	120 Å²	120	62.8 Å²	62.8	64%	0.642	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	49.4	-179	-175.5	25.7	0	0	0	113.1	Y246 H247 N248 D249	Y246-N251 WeakPolarHBondContact OH-CA 3.46Å; Y246-N251 PolarHBondContact OH-OD1 3.27Å; H247-N251 WeakPolarHBondContact O-CA 3.34Å; H247-N251 PolarHBondContact O-N 2.79Å; N248-N251 PolarHBondContact O-N 2.73Å; D249-N251 PolarHBondContact O-N 3.41Å
252	M	97.2	Very high	97.5	Very high	60 Å²	60	58.8 Å²	58.8	30%	0.296	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152	-175.9	64.7	-176.2	-74.4	0	0	112.8	T233 Y246 H247 L250 L254	T233-M252 HydrophobicContact CG2-CE 3.48Å; T233-M252 VanDerWaalsContact CG2-CE 3.48Å; Y246-M252 WeakPolarHBondContact CD2-O 3.36Å; H247-M252 HydrophobicContact CB-CG 4.35Å; H247-M252 PolarHBondContact N-O 3Å; H247-M252 PolarHBondContact O-N 2.92Å; L250-M252 VanDerWaalsContact C-N 3.31Å; L250-M252 HydrophobicContact CB-CG 3.75Å; L250-M252 HydrophobicContact CB-SD 3.82Å; L250-M252 HydrophobicContact CD1-SD 4.03Å; L250-M252 PolarHBondContact O-N 2.7Å; M252-L254 HydrophobicContact CE-CD2 3.76Å
253	N	97.5	Very high	97.6	Very high	90 Å²	90	60.8 Å²	60.8	48%	0.481	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.7	169.1	-68.7	-40.1	0	0	0	110.3	I244 T245	I244-N253 HydrophobicContact CG2-CB 4.34Å; T245-N253 WeakPolarHBondContact O-CA 3.47Å
254	L	97.5	Very high	97.6	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.5	170.2	-68	172.2	0	0	0	108.9	M231 N232 T233 T245 H247 M252	M231-L254 HydrophobicContact CB-CB 4.47Å; M231-L254 HydrophobicContact CB-CD1 4.2Å; M231-L254 HydrophobicContact CE-CB 4.26Å; M231-L254 HydrophobicContact CE-CD1 3.57Å; N232-L254 CarbonylContact O-C 3.51Å; N232-L254 WeakPolarHBondContact O-CA 3.39Å; T233-L254 HydrophobicContact CG2-CD2 4.18Å; T245-L254 HydrophobicContact CG2-CB 3.93Å; T245-L254 PolarHBondContact N-O 3.22Å; T245-L254 PolarHBondContact O-N 3.11Å; T245-L254 VanDerWaalsContact O-O 3.08Å; H247-L254 HydrophobicContact CB-CD1 3.83Å; H247-L254 HydrophobicContact CB-CG 4.44Å; M252-L254 HydrophobicContact CE-CD2 3.76Å
255	Y	97.6	Very high	97.7	Very high	68 Å²	68	52.4 Å²	52.4	27%	0.267	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.8	179.1	-59.7	-91.7	0	0	0	109.4	M231 N232 T233 A235 P242 F243 I244	M231-Y255 CarbonylContact C-O 3.53Å; M231-Y255 WeakPolarHBondContact CA-O 3.49Å; N232-Y255 PolarHBondContact N-O 2.59Å; N232-Y255 PolarHBondContact O-N 2.74Å; T233-Y255 WeakPolarHBondContact O-CD2 3.34Å; T233-Y255 WeakPolarHBondContact O-CE2 3.48Å; A235-Y255 HydrophobicContact CB-CG 4.38Å; P242-Y255 HydrophobicContact CB-CD1 4.04Å; P242-Y255 HydrophobicContact CG-CD1 3.76Å; P242-Y255 HydrophobicContact CG-CE1 4.36Å; F243-Y255 CarbonylContact O-C 3.44Å; F243-Y255 VanDerWaalsContact O-CA 3.27Å; F243-Y255 WeakPolarHBondContact O-CA 3.35Å; I244-Y255 HydrophobicContact CB-CD1 4.47Å; I244-Y255 HydrophobicContact CB-CE1 4.42Å; I244-Y255 HydrophobicContact CD1-CD1 4.5Å; I244-Y255 HydrophobicContact CD1-CE1 3.84Å; I244-Y255 HydrophobicContact CG1-CD1 3.82Å; I244-Y255 HydrophobicContact CG1-CE1 3.65Å; I244-Y255 HydrophobicContact CG2-CD1 4.49Å; I244-Y255 HydrophobicContact CG2-CE1 4.19Å
256	M	98.3	Very high	97.7	Very high	40 Å²	40	52.1 Å²	52.1	20%	0.197	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.3	170.4	-55.3	-55.8	-61.3	0	0	109	M230 M231 F243 T245 F282	M230-M256 CarbonylContact O-C 3.56Å; M230-M256 WeakPolarHBondContact O-CA 3.34Å; M231-M256 HydrophobicContact CG-CE 4.3Å; M231-M256 HydrophobicContact CG-SD 4Å; F243-M256 HydrophobicContact CB-CB 4.03Å; F243-M256 HydrophobicContact CB-CG 3.79Å; F243-M256 PolarHBondContact O-N 2.86Å; T245-M256 HydrophobicContact CG2-SD 4.31Å; M256-F282 HydrophobicContact CB-CB 3.74Å; M256-F282 HydrophobicContact CB-CD2 3.83Å; M256-F282 HydrophobicContact CB-CG 3.89Å; M256-F282 HydrophobicContact CE-CD2 4.03Å; M256-F282 HydrophobicContact CE-CE1 4.48Å; M256-F282 HydrophobicContact CE-CE2 3.77Å; M256-F282 HydrophobicContact CE-CG 4.49Å; M256-F282 HydrophobicContact CE-CZ 4.01Å
257	R	97.9	Very high	97.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.008	25%	0.252	C	S	.	.			trans	-60.6	138.1	-175.9	71.8	173	179.7	-161.8	8.7	112.3	T228 P229 M230 E277 R280 F282	T228-R257 PolarHBondContact O-NH1 2.86Å; T228-R257 PolarHBondContact OG1-NH1 2.79Å; P229-R257 WeakPolarHBondContact O-CD 3.49Å; M230-R257 HydrophobicContact CB-CG 4.45Å; M230-R257 PolarHBondContact O-N 3.19Å; R257-E277 IonicContact CZ-OE1 2.75Å; R257-E277 IonicContact NH1-OE1 2.78Å; R257-E277 PolarHBondContact NH1-OE1 2.92Å; R257-E277 IonicContact NH1-OE2 2.68Å; R257-E277 PolarHBondContact NH1-OE2 3.03Å; R257-E277 IonicContact NH2-OE1 3.67Å; R257-E277 PolarHBondContact NH2-OE1 2.91Å; R257-R280 PolarHBondContact NE-O 3.44Å; R257-R280 PolarHBondContact NH2-O 2.81Å; R257-R280 VanDerWaalsContact NH2-O 3.15Å; R257-F282 HydrophobicContact CG-CD2 4.42Å; R257-F282 PolarHBondContact O-N 2.86Å
258	V	97.4	Very high	97.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	24%	0.237	C	C	.	.	S	Bend	trans	-94.3	-24.1	172	-64.1	0	0	0	0	112.4	G236 A238 A240 P242 F282 R283	G236-V258 WeakPolarHBondContact O-CG2 3.33Å; A238-V258 HydrophobicContact CB-CB 4.39Å; A238-V258 HydrophobicContact CB-CG2 4.08Å; A240-V258 HydrophobicContact CB-CB 3.91Å; A240-V258 HydrophobicContact CB-CG1 3.83Å; P242-V258 HydrophobicContact CB-CG1 4.12Å; V258-F282 WeakPolarHBondContact CG1-O 3.2Å; V258-R283 HydrophobicContact CG1-CG 4.48Å
259	A	97.7	Very high	97.9	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.041	21%	0.211	C	C	.	.			trans	-159.1	152.1	169.6	0	0	0	0	0	109.8	A238 E261	A238-A259 HydrophobicContact CB-CB 4.11Å; A259-E261 HydrophobicContact CB-CB 4.4Å
260	P	98.2	Very high	98	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.206	C	C	.	.	S	Bend	trans	-81.6	-10.6	170.5	33.3	-37.6	0	0	0	114.7	T228 L262 Y263 L264 E299	T228-P260 VanDerWaalsContact OG1-CB 3.31Å; T228-P260 WeakPolarHBondContact OG1-CB 3.1Å; P260-L262 PolarHBondContact O-N 3.06Å; P260-Y263 PolarHBondContact O-N 3.44Å; P260-L264 HydrophobicContact CB-CD1 4Å; P260-L264 HydrophobicContact CB-CG 4.18Å; P260-L264 HydrophobicContact CG-CD1 3.85Å; P260-L264 PolarHBondContact O-N 2.8Å; P260-E299 VanDerWaalsContact CD-CD 3.49Å; P260-E299 VanDerWaalsContact CD-OE1 3.31Å; P260-E299 WeakPolarHBondContact CD-OE1 3.35Å; P260-E299 WeakPolarHBondContact CD-OE2 3.31Å; P260-E299 HydrophobicContact CG-CB 4.1Å; P260-E299 HydrophobicContact CG-CG 4.36Å; P260-E299 WeakPolarHBondContact CG-OE2 3.32Å
261	E	98.5	Very high	98	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-31.7	-56	-175.7	165.3	161.7	-166.8	0	0	116.8	A259 Y263 L264 K265 E299 Y301 L432 Y459	A259-E261 HydrophobicContact CB-CB 4.4Å; E261-Y263 VanDerWaalsContact C-N 3.31Å; E261-Y263 PolarHBondContact O-N 2.85Å; E261-L264 PolarHBondContact O-N 2.88Å; E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 WeakPolarHBondContact OE1-CE 3.34Å; E261-K265 IonicContact OE1-NZ 4Å; E261-K265 PolarHBondContact OE1-NZ 2.66Å; E261-E299 PolarHBondContact N-OE2 2.95Å; E261-Y301 WeakPolarHBondContact CA-OH 3.45Å; E261-Y301 WeakPolarHBondContact CB-OH 3.41Å; E261-Y301 HydrophobicContact CG-CE1 4.44Å; E261-Y301 WeakPolarHBondContact CG-OH 3.35Å; E261-L432 HydrophobicContact CG-CD1 4.29Å; E261-L432 WeakPolarHBondContact OE1-CB 3.48Å; E261-L432 VanDerWaalsContact OE1-CD1 3.24Å; E261-L432 WeakPolarHBondContact OE1-CD1 3.4Å; E261-L432 WeakPolarHBondContact OE2-CD1 3.45Å; E261-Y459 WeakPolarHBondContact OE1-CE2 3.35Å; E261-Y459 PolarHBondContact OE1-OH 2.99Å; E261-Y459 PolarHBondContact OE2-OH 3Å
262	L	97.6	Very high	98.1	Very high	11 Å²	11	33 Å²	33	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-38.2	-173.4	-58.5	-173.7	0	0	0	111.6	P260 M266 L432 D490 F493	P260-L262 PolarHBondContact O-N 3.06Å; L262-M266 WeakPolarHBondContact O-CG 3.49Å; L262-M266 PolarHBondContact O-N 3.03Å; L262-L432 HydrophobicContact CD2-CD1 4.25Å; L262-L432 HydrophobicContact CD2-CD2 4.32Å; L262-D490 HydrophobicContact CD1-CB 4.43Å; L262-F493 HydrophobicContact CB-CD2 3.97Å; L262-F493 HydrophobicContact CB-CE2 4.35Å; L262-F493 HydrophobicContact CB-CG 4.33Å; L262-F493 HydrophobicContact CD1-CG 4.46Å; L262-F493 HydrophobicContact CD2-CD1 3.9Å; L262-F493 HydrophobicContact CD2-CD2 4.14Å; L262-F493 HydrophobicContact CD2-CE1 3.8Å; L262-F493 HydrophobicContact CD2-CE2 4.07Å; L262-F493 HydrophobicContact CD2-CG 4.07Å; L262-F493 HydrophobicContact CD2-CZ 3.91Å
263	Y	98.5	Very high	98.2	Very high	64 Å²	64	33.4 Å²	33.4	25%	0.251	19%	0.194	S	C	.	.	H	α-helix	trans	-69.6	-41.1	175.8	-69	-79.4	0	0	0	111.9	T228 P229 N232 P260 E261 K265 M266 L267	T228-Y263 HydrophobicContact CG2-CG 4.48Å; P229-Y263 HydrophobicContact CB-CE2 4.28Å; P229-Y263 HydrophobicContact CG-CD1 4.32Å; P229-Y263 HydrophobicContact CG-CE1 3.83Å; P229-Y263 HydrophobicContact CG-CE2 4.34Å; N232-Y263 WeakPolarHBondContact OD1-CE2 3.37Å; N232-Y263 PolarHBondContact OD1-OH 2.77Å; P260-Y263 PolarHBondContact O-N 3.44Å; E261-Y263 VanDerWaalsContact C-N 3.31Å; E261-Y263 PolarHBondContact O-N 2.85Å; Y263-K265 VanDerWaalsContact C-N 3.31Å; Y263-K265 PolarHBondContact O-N 3.49Å; Y263-M266 HydrophobicContact CD1-CE 3.43Å; Y263-M266 VanDerWaalsContact CD1-CE 3.43Å; Y263-M266 HydrophobicContact CE1-CE 3.93Å; Y263-M266 HydrophobicContact CG-CE 4Å; Y263-M266 WeakPolarHBondContact O-CB 3.47Å; Y263-M266 PolarHBondContact O-N 3.25Å; Y263-M266 VanDerWaalsContact O-N 3.08Å; Y263-L267 WeakPolarHBondContact O-CG 3.42Å; Y263-L267 PolarHBondContact O-N 3.08Å
264	L	98.7	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-39.5	179.1	-63.3	176.7	0	0	0	111.4	V226 T228 P260 E261 M266 L267 I268 V275 E277 E299 Y301	V226-L264 HydrophobicContact CG2-CD2 3.53Å; T228-L264 HydrophobicContact CG2-CD2 3.76Å; T228-L264 HydrophobicContact CG2-CG 4.34Å; P260-L264 HydrophobicContact CB-CD1 4Å; P260-L264 HydrophobicContact CB-CG 4.18Å; P260-L264 HydrophobicContact CG-CD1 3.85Å; P260-L264 PolarHBondContact O-N 2.8Å; E261-L264 PolarHBondContact O-N 2.88Å; L264-M266 PolarHBondContact O-N 3.41Å; L264-L267 HydrophobicContact CD2-CD1 4.21Å; L264-L267 WeakPolarHBondContact O-CB 3.39Å; L264-L267 PolarHBondContact O-N 2.82Å; L264-I268 PolarHBondContact O-N 3.39Å; L264-V275 HydrophobicContact CB-CG2 4.27Å; L264-V275 HydrophobicContact CD2-CG2 4.09Å; L264-E277 HydrophobicContact CD1-CB 4.42Å; L264-E277 HydrophobicContact CD2-CB 4.24Å; L264-E299 HydrophobicContact CD1-CB 3.82Å; L264-Y301 HydrophobicContact CB-CD2 3.32Å; L264-Y301 HydrophobicContact CB-CE2 3.59Å; L264-Y301 HydrophobicContact CB-CG 4.03Å; L264-Y301 HydrophobicContact CD1-CD2 3.65Å; L264-Y301 HydrophobicContact CD1-CE2 3.56Å; L264-Y301 HydrophobicContact CG-CD2 4.1Å; L264-Y301 HydrophobicContact CG-CE2 4.2Å
265	K	98.6	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-39.8	170.5	-79.7	-171.8	-87.4	-148	0	113.4	E261 Y263 L267 I268 I269 Y301 E461 F493 L501	E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 WeakPolarHBondContact OE1-CE 3.34Å; E261-K265 IonicContact OE1-NZ 4Å; E261-K265 PolarHBondContact OE1-NZ 2.66Å; Y263-K265 VanDerWaalsContact C-N 3.31Å; Y263-K265 PolarHBondContact O-N 3.49Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 PolarHBondContact O-N 2.95Å; K265-I268 WeakPolarHBondContact O-CB 3.42Å; K265-I268 PolarHBondContact O-N 3.13Å; K265-I268 VanDerWaalsContact O-N 3.16Å; K265-I269 WeakPolarHBondContact O-CG1 3.24Å; K265-I269 PolarHBondContact O-N 3.09Å; K265-Y301 HydrophobicContact CD-CE1 4.19Å; K265-Y301 HydrophobicContact CG-CD1 3.74Å; K265-Y301 HydrophobicContact CG-CE1 3.6Å; K265-E461 HydrophobicContact CD-CB 4.38Å; K265-E461 HydrophobicContact CD-CG 4.29Å; K265-E461 VanDerWaalsContact CD-OE2 3.32Å; K265-E461 WeakPolarHBondContact CD-OE2 3.37Å; K265-E461 WeakPolarHBondContact CE-OE2 3.46Å; K265-E461 IonicContact NZ-OE2 3.88Å; K265-E461 PolarHBondContact NZ-OE2 3.18Å; K265-F493 HydrophobicContact CB-CE2 3.79Å; K265-F493 HydrophobicContact CB-CZ 4.31Å; K265-F493 HydrophobicContact CD-CE2 4.2Å; K265-F493 HydrophobicContact CD-CZ 3.86Å; K265-L501 HydrophobicContact CB-CD2 4.43Å; K265-L501 HydrophobicContact CD-CD2 3.88Å; K265-L501 HydrophobicContact CG-CD2 4.2Å
266	M	98.6	Very high	98.4	Very high	53 Å²	53	29.8 Å²	29.8	26%	0.261	17%	0.172	S	C	.	.	H	α-helix	trans	-62.9	-32.1	174.6	-70	-171.3	-73.9	0	0	112.5	L262 Y263 L264 I269 G270 F493 A496	L262-M266 WeakPolarHBondContact O-CG 3.49Å; L262-M266 PolarHBondContact O-N 3.03Å; Y263-M266 HydrophobicContact CD1-CE 3.43Å; Y263-M266 VanDerWaalsContact CD1-CE 3.43Å; Y263-M266 HydrophobicContact CE1-CE 3.93Å; Y263-M266 HydrophobicContact CG-CE 4Å; Y263-M266 WeakPolarHBondContact O-CB 3.47Å; Y263-M266 PolarHBondContact O-N 3.25Å; Y263-M266 VanDerWaalsContact O-N 3.08Å; L264-M266 PolarHBondContact O-N 3.41Å; M266-I269 WeakPolarHBondContact O-CB 3.48Å; M266-I269 PolarHBondContact O-N 3.26Å; M266-G270 PolarHBondContact O-N 3.46Å; M266-F493 HydrophobicContact CG-CD2 4.13Å; M266-A496 HydrophobicContact CG-CB 3.7Å; M266-A496 HydrophobicContact SD-CB 3.92Å
267	L	98.8	Very high	98.4	Very high	54 Å²	54	28.2 Å²	28.2	28%	0.283	16%	0.164	S	C	.	.	H	α-helix	trans	-68.6	-36.9	172.8	-63.4	177.7	0	0	0	112.5	V226 T228 Y263 L264 K265 G270 G271 L272 V275	V226-L267 HydrophobicContact CB-CD1 4.12Å; V226-L267 HydrophobicContact CG1-CD1 4.18Å; V226-L267 HydrophobicContact CG2-CD1 3.74Å; T228-L267 HydrophobicContact CG2-CD1 4.4Å; Y263-L267 WeakPolarHBondContact O-CG 3.42Å; Y263-L267 PolarHBondContact O-N 3.08Å; L264-L267 HydrophobicContact CD2-CD1 4.21Å; L264-L267 WeakPolarHBondContact O-CB 3.39Å; L264-L267 PolarHBondContact O-N 2.82Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 PolarHBondContact O-N 2.95Å; L267-G270 CarbonylContact O-C 3.58Å; L267-G270 WeakPolarHBondContact O-CA 3.42Å; L267-G270 PolarHBondContact O-N 3.06Å; L267-G270 VanDerWaalsContact O-N 3.13Å; L267-G271 PolarHBondContact O-N 3.29Å; L267-L272 HydrophobicContact CB-CD1 4.25Å; L267-L272 HydrophobicContact CD2-CD1 4.31Å; L267-L272 PolarHBondContact O-N 2.87Å; L267-L272 VanDerWaalsContact O-N 3.09Å; L267-V275 HydrophobicContact CB-CG1 4.32Å; L267-V275 HydrophobicContact CD1-CG1 4.45Å
268	I	98.8	Very high	98.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-44.1	172.2	-53.8	-53.4	0	0	0	110.5	L264 K265 G270 G271 L272 V275 A303 L501 P502 T504	L264-I268 PolarHBondContact O-N 3.39Å; K265-I268 WeakPolarHBondContact O-CB 3.42Å; K265-I268 PolarHBondContact O-N 3.13Å; K265-I268 VanDerWaalsContact O-N 3.16Å; I268-G270 PolarHBondContact O-N 3.04Å; I268-G271 WeakPolarHBondContact O-CA 3.35Å; I268-G271 PolarHBondContact O-N 3.1Å; I268-L272 WeakPolarHBondContact CD1-O 3.4Å; I268-V275 HydrophobicContact CD1-CG2 3.85Å; I268-A303 HydrophobicContact CG2-CB 3.95Å; I268-L501 HydrophobicContact CB-CD1 3.76Å; I268-L501 HydrophobicContact CG2-CD1 3.75Å; I268-P502 HydrophobicContact CG2-CG 4.4Å; I268-T504 HydrophobicContact CG1-CG2 4.2Å; I268-T504 HydrophobicContact CG2-CG2 4.42Å
269	I	98.6	Very high	98.5	Very high	37 Å²	37	29.7 Å²	29.7	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-38.6	172.9	-67.9	156.3	0	0	0	110.6	K265 M266 G271 A496 L497 L501	K265-I269 WeakPolarHBondContact O-CG1 3.24Å; K265-I269 PolarHBondContact O-N 3.09Å; M266-I269 WeakPolarHBondContact O-CB 3.48Å; M266-I269 PolarHBondContact O-N 3.26Å; I269-G271 PolarHBondContact O-N 2.94Å; I269-A496 HydrophobicContact CD1-CB 3.92Å; I269-A496 WeakPolarHBondContact CD1-O 3.39Å; I269-L497 HydrophobicContact CD1-CD2 4.36Å; I269-L501 HydrophobicContact CD1-CB 4.12Å; I269-L501 HydrophobicContact CG1-CB 3.73Å; I269-L501 HydrophobicContact CG1-CD1 4.01Å; I269-L501 HydrophobicContact CG1-CG 4.47Å
270	G	98.4	Very high	98.5	Very high	67 Å²	67	33.6 Å²	33.6	69%	0.691	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-3.8	173.8	0	0	0	0	0	115.5	M266 L267 I268	M266-G270 PolarHBondContact O-N 3.46Å; L267-G270 CarbonylContact O-C 3.58Å; L267-G270 WeakPolarHBondContact O-CA 3.42Å; L267-G270 PolarHBondContact O-N 3.06Å; L267-G270 VanDerWaalsContact O-N 3.13Å; I268-G270 PolarHBondContact O-N 3.04Å
271	G	98.1	Very high	98.5	Very high	47 Å²	47	33.6 Å²	33.6	49%	0.485	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	4	176.4	0	0	0	0	0	115.3	L267 I268 I269 N273	L267-G271 PolarHBondContact O-N 3.29Å; I268-G271 WeakPolarHBondContact O-CA 3.35Å; I268-G271 PolarHBondContact O-N 3.1Å; I269-G271 PolarHBondContact O-N 2.94Å; G271-N273 PolarHBondContact O-N 3.36Å; G271-N273 VanDerWaalsContact O-N 3.09Å
272	L	98.5	Very high	98.5	Very high	72 Å²	72	35 Å²	35	38%	0.377	19%	0.194	S	C	.	.			trans	-80.7	84.6	172.9	-61.3	-178.6	0	0	0	109.7	L224 L267 I268 R274 V275	L224-L272 HydrophobicContact CD2-CD1 4.18Å; L224-L272 HydrophobicContact CD2-CD2 4.28Å; L267-L272 HydrophobicContact CB-CD1 4.25Å; L267-L272 HydrophobicContact CD2-CD1 4.31Å; L267-L272 PolarHBondContact O-N 2.87Å; L267-L272 VanDerWaalsContact O-N 3.09Å; I268-L272 WeakPolarHBondContact CD1-O 3.4Å; L272-R274 PolarHBondContact O-N 2.96Å; L272-V275 HydrophobicContact CB-CG1 3.57Å; L272-V275 HydrophobicContact CD1-CG1 4.15Å
273	N	98.4	Very high	98.5	Very high	68 Å²	68	37.4 Å²	37.4	36%	0.364	20%	0.203	S	C	.	.			trans	-59.8	-18.4	-169.7	-70.6	-41.7	0	0	0	116.4	G271 A303	G271-N273 PolarHBondContact O-N 3.36Å; G271-N273 VanDerWaalsContact O-N 3.09Å; N273-A303 HydrophobicContact CB-CB 3.93Å; N273-A303 WeakPolarHBondContact O-CB 3.38Å; N273-A303 PolarHBondContact O-N 3.35Å
274	R	98.8	Very high	98.4	Very high	98 Å²	98	37.5 Å²	37.5	37%	0.37	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	105.8	-179.3	-65.8	-174.5	-174.1	176.3	0.9	109.2	L221 F223 L224 L272 Y301 M302	L221-R274 PolarHBondContact O-NH1 3.3Å; F223-R274 HydrophobicContact CB-CB 4.27Å; F223-R274 HydrophobicContact CD1-CB 3.69Å; F223-R274 HydrophobicContact CD2-CB 4.17Å; F223-R274 HydrophobicContact CE1-CB 3.98Å; F223-R274 HydrophobicContact CE1-CG 4.39Å; F223-R274 HydrophobicContact CE2-CB 4.45Å; F223-R274 HydrophobicContact CE2-CG 4.46Å; F223-R274 HydrophobicContact CG-CB 3.79Å; F223-R274 HydrophobicContact CZ-CB 4.37Å; F223-R274 HydrophobicContact CZ-CG 4.37Å; L224-R274 PolarHBondContact N-O 2.88Å; L272-R274 PolarHBondContact O-N 2.96Å; R274-Y301 WeakPolarHBondContact CA-O 3.41Å; R274-M302 HydrophobicContact CG-CG 4.24Å
275	V	98.9	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.2	178.6	-62.4	0	0	0	0	110.3	L224 V226 L264 L267 I268 L272 F300 Y301	L224-V275 WeakPolarHBondContact O-CA 3.43Å; V226-V275 HydrophobicContact CG1-CB 4.34Å; V226-V275 HydrophobicContact CG1-CG1 4.15Å; V226-V275 HydrophobicContact CG2-CB 4.1Å; L264-V275 HydrophobicContact CB-CG2 4.27Å; L264-V275 HydrophobicContact CD2-CG2 4.09Å; L267-V275 HydrophobicContact CB-CG1 4.32Å; L267-V275 HydrophobicContact CD1-CG1 4.45Å; I268-V275 HydrophobicContact CD1-CG2 3.85Å; L272-V275 HydrophobicContact CB-CG1 3.57Å; L272-V275 HydrophobicContact CD1-CG1 4.15Å; V275-F300 CarbonylContact O-C 3.52Å; V275-F300 WeakPolarHBondContact O-CA 3.35Å; V275-F300 WeakPolarHBondContact O-CB 3.39Å; V275-Y301 PolarHBondContact N-O 3.43Å; V275-Y301 VanDerWaalsContact N-O 3.13Å; V275-Y301 PolarHBondContact O-N 3.14Å
276	Y	98.9	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.9	167.3	79.6	-79.7	0	0	0	111.6	R215 L218 D219 F223 L224 E225 V226 E299	R215-Y276 HydrophobicContact CG-CE2 4.14Å; L218-Y276 HydrophobicContact CB-CD1 4.08Å; L218-Y276 HydrophobicContact CB-CE1 4.08Å; L218-Y276 HydrophobicContact CB-CG 4.34Å; L218-Y276 HydrophobicContact CD1-CD1 4.25Å; L218-Y276 HydrophobicContact CD1-CD2 3.65Å; L218-Y276 HydrophobicContact CD1-CE2 4.2Å; L218-Y276 HydrophobicContact CD1-CG 3.65Å; D219-Y276 WeakPolarHBondContact OD1-CE1 3.29Å; D219-Y276 PolarHBondContact OD1-OH 3.12Å; F223-Y276 HydrophobicContact CB-CD1 3.68Å; F223-Y276 HydrophobicContact CB-CE1 4.23Å; L224-Y276 PolarHBondContact O-N 3.42Å; E225-Y276 CarbonylContact C-O 3.54Å; E225-Y276 WeakPolarHBondContact CA-O 3.43Å; E225-Y276 HydrophobicContact CB-CD1 4.21Å; E225-Y276 HydrophobicContact CB-CE1 3.58Å; E225-Y276 HydrophobicContact CB-CE2 4.08Å; E225-Y276 HydrophobicContact CG-CD2 4.35Å; E225-Y276 HydrophobicContact CG-CE1 4.19Å; E225-Y276 HydrophobicContact CG-CE2 3.74Å; V226-Y276 PolarHBondContact N-O 2.87Å; Y276-E299 CarbonylContact C-O 3.46Å; Y276-E299 WeakPolarHBondContact CA-O 3.43Å; Y276-E299 WeakPolarHBondContact CB-O 3.38Å
277	E	98.9	Very high	97.5	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.1	172	-180	170.2	178.8	0	0	109.7	V226 T228 R257 L264 C298 E299	V226-E277 HydrophobicContact CG2-CB 4.45Å; V226-E277 WeakPolarHBondContact O-CB 3.5Å; V226-E277 WeakPolarHBondContact O-CG 3.12Å; T228-E277 WeakPolarHBondContact CB-OE2 3.34Å; T228-E277 WeakPolarHBondContact CG2-OE2 3.33Å; T228-E277 PolarHBondContact N-OE1 2.79Å; T228-E277 PolarHBondContact N-OE2 3.05Å; T228-E277 VanDerWaalsContact N-OE2 3.09Å; T228-E277 PolarHBondContact OG1-OE2 2.76Å; R257-E277 IonicContact CZ-OE1 2.75Å; R257-E277 IonicContact NH1-OE1 2.78Å; R257-E277 PolarHBondContact NH1-OE1 2.92Å; R257-E277 IonicContact NH1-OE2 2.68Å; R257-E277 PolarHBondContact NH1-OE2 3.03Å; R257-E277 IonicContact NH2-OE1 3.67Å; R257-E277 PolarHBondContact NH2-OE1 2.91Å; L264-E277 HydrophobicContact CD1-CB 4.42Å; L264-E277 HydrophobicContact CD2-CB 4.24Å; E277-C298 WeakPolarHBondContact O-CA 3.49Å; E277-E299 PolarHBondContact N-O 2.95Å; E277-E299 PolarHBondContact O-N 3.09Å
278	L	98.6	Very high	97.3	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.6	170.5	-169	155	0	0	0	108.7	I211 T296 S297 C298	I211-L278 HydrophobicContact CB-CD1 4.42Å; I211-L278 HydrophobicContact CG1-CD1 4.36Å; I211-L278 HydrophobicContact CG2-CD1 3.8Å; I211-L278 HydrophobicContact CG2-CD2 4.24Å; L278-T296 HydrophobicContact CD2-CG2 3.79Å; L278-T296 HydrophobicContact CG-CG2 4.44Å; L278-S297 WeakPolarHBondContact CA-O 3.31Å; L278-C298 HydrophobicContact CD1-CB 4.48Å; L278-C298 HydrophobicContact CG-CB 4.43Å
279	G	98.2	Very high	97.1	Very high	10 Å²	10	50.2 Å²	50.2	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	175.1	-167.8	0	0	0	0	0	114.6	T296 S297	G279-T296 WeakPolarHBondContact O-CA 3.44Å; G279-S297 PolarHBondContact N-O 2.8Å; G279-S297 PolarHBondContact O-N 3.44Å
280	R	98.5	Very high	96.9	Very high	86 Å²	86	49.2 Å²	49.2	33%	0.325	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.3	176.5	-164.3	58.2	45.7	93.5	-1.5	110.1	R257 F282 E294 F295 T296	R257-R280 PolarHBondContact NE-O 3.44Å; R257-R280 PolarHBondContact NH2-O 2.81Å; R257-R280 VanDerWaalsContact NH2-O 3.15Å; R280-F282 HydrophobicContact CB-CE1 4.49Å; R280-F282 HydrophobicContact CB-CE2 4.2Å; R280-F282 HydrophobicContact CB-CZ 3.88Å; R280-F282 HydrophobicContact CG-CD1 4.25Å; R280-F282 HydrophobicContact CG-CE1 3.56Å; R280-F282 HydrophobicContact CG-CE2 4.05Å; R280-F282 HydrophobicContact CG-CZ 3.44Å; R280-F282 VanDerWaalsContact CG-CZ 3.44Å; R280-E294 HydrophobicContact CG-CB 4.12Å; R280-E294 IonicContact CZ-OE2 2.74Å; R280-E294 IonicContact NH1-OE2 3.33Å; R280-E294 PolarHBondContact NH1-OE2 2.95Å; R280-F295 WeakPolarHBondContact CA-O 3.28Å; R280-F295 VanDerWaalsContact CD-O 3.28Å; R280-F295 WeakPolarHBondContact CD-O 3.4Å; R280-T296 PolarHBondContact NE-OG1 3.07Å; R280-T296 PolarHBondContact NH2-OG1 3.23Å
281	V	98.1	Very high	96.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.8	165.6	-68.4	0	0	0	0	109.2	E294 F295	V281-E294 WeakPolarHBondContact O-CA 3.46Å; V281-F295 HydrophobicContact CB-CZ 4.42Å; V281-F295 HydrophobicContact CG2-CD1 3.86Å; V281-F295 HydrophobicContact CG2-CD2 3.56Å; V281-F295 HydrophobicContact CG2-CE1 3.52Å; V281-F295 HydrophobicContact CG2-CE2 3.2Å; V281-F295 HydrophobicContact CG2-CG 3.88Å; V281-F295 HydrophobicContact CG2-CZ 3.18Å; V281-F295 WeakPolarHBondContact CG2-O 3.34Å; V281-F295 PolarHBondContact N-O 3.13Å; V281-F295 PolarHBondContact O-N 3.47Å; V281-F295 VanDerWaalsContact O-N 3.11Å
282	F	98.5	Very high	96.8	Very high	33 Å²	33	46.9 Å²	46.9	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117	-169.9	-51	-91.1	0	0	0	110.2	M230 F243 M256 R257 V258 R280 P293 E294	M230-F282 HydrophobicContact CB-CE2 4.46Å; M230-F282 HydrophobicContact SD-CE2 4.28Å; F243-F282 HydrophobicContact CD2-CB 3.81Å; F243-F282 HydrophobicContact CE2-CB 4.26Å; M256-F282 HydrophobicContact CB-CB 3.74Å; M256-F282 HydrophobicContact CB-CD2 3.83Å; M256-F282 HydrophobicContact CB-CG 3.89Å; M256-F282 HydrophobicContact CE-CD2 4.03Å; M256-F282 HydrophobicContact CE-CE1 4.48Å; M256-F282 HydrophobicContact CE-CE2 3.77Å; M256-F282 HydrophobicContact CE-CG 4.49Å; M256-F282 HydrophobicContact CE-CZ 4.01Å; R257-F282 HydrophobicContact CG-CD2 4.42Å; R257-F282 PolarHBondContact O-N 2.86Å; V258-F282 WeakPolarHBondContact CG1-O 3.2Å; R280-F282 HydrophobicContact CB-CE1 4.49Å; R280-F282 HydrophobicContact CB-CE2 4.2Å; R280-F282 HydrophobicContact CB-CZ 3.88Å; R280-F282 HydrophobicContact CG-CD1 4.25Å; R280-F282 HydrophobicContact CG-CE1 3.56Å; R280-F282 HydrophobicContact CG-CE2 4.05Å; R280-F282 HydrophobicContact CG-CZ 3.44Å; R280-F282 VanDerWaalsContact CG-CZ 3.44Å; F282-P293 CarbonylContact C-O 3.54Å; F282-P293 WeakPolarHBondContact CA-O 3.38Å; F282-E294 HydrophobicContact CD1-CB 3.84Å; F282-E294 HydrophobicContact CE1-CB 4.1Å
283	R	97.5	Very high	96.7	Very high	63 Å²	63	44.6 Å²	44.6	24%	0.238	23%	0.231	C	C	.	.			trans	-125.5	122.6	179.7	-62.2	-171.9	-175.4	177.3	1.3	110.3	A240 F243 V258 E285 P293 F295	A240-R283 HydrophobicContact CB-CB 4.42Å; A240-R283 HydrophobicContact CB-CG 3.77Å; F243-R283 VanDerWaalsContact CE2-C 3.48Å; F243-R283 WeakPolarHBondContact CE2-O 3.46Å; V258-R283 HydrophobicContact CG1-CG 4.48Å; R283-E285 HydrophobicContact CB-CG 4.21Å; R283-E285 WeakPolarHBondContact CD-OE1 3.37Å; R283-E285 PolarHBondContact O-N 3.48Å; R283-P293 PolarHBondContact N-O 2.94Å; R283-P293 WeakPolarHBondContact O-CA 3.35Å; R283-F295 HydrophobicContact CB-CE1 4.47Å; R283-F295 HydrophobicContact CG-CE1 3.91Å; R283-F295 HydrophobicContact CG-CZ 4.49Å
284	N	96.5	Very high	96.7	Very high	65 Å²	65	44.9 Å²	44.9	35%	0.348	23%	0.23	S	C	.	.			trans	-85.5	62.6	-177.6	-171.9	8.4	0	0	0	110.4	K241 F243	K241-N284 HydrophobicContact CG-CB 4.29Å; K241-N284 WeakPolarHBondContact O-CB 3.43Å; K241-N284 PolarHBondContact O-N 3.28Å; F243-N284 HydrophobicContact CD1-CB 4.12Å; F243-N284 HydrophobicContact CD2-CB 4Å; F243-N284 HydrophobicContact CE1-CB 4.04Å; F243-N284 HydrophobicContact CE2-CB 3.94Å; F243-N284 HydrophobicContact CG-CB 4.1Å; F243-N284 HydrophobicContact CZ-CB 3.95Å
285	E	92.1	Very high	96.7	Very high	60 Å²	60	42 Å²	42	28%	0.28	22%	0.22	S	C	.	.	S	Bend	trans	-118	-175.6	-173.7	-70.1	163.9	-158.3	0	0	110.7	A240 R283	A240-E285 WeakPolarHBondContact CA-OE1 3.4Å; A240-E285 VanDerWaalsContact CB-OE1 3.23Å; A240-E285 WeakPolarHBondContact CB-OE1 3.31Å; R283-E285 HydrophobicContact CB-CG 4.21Å; R283-E285 WeakPolarHBondContact CD-OE1 3.37Å; R283-E285 PolarHBondContact O-N 3.48Å
286	G	91.2	Very high	96.7	Very high	57 Å²	57	42.4 Å²	42.4	59%	0.588	22%	0.223	S	C	*	.			trans	-66.2	158	174	0	0	0	0	0	113
287	I	94	Very high	96.7	Very high	84 Å²	84	42.8 Å²	42.8	43%	0.431	23%	0.225	S	C	.	.			trans	-104.7	125.2	172.1	-55.9	-179.4	0	0	0	108	P293 A532	I287-P293 HydrophobicContact CD1-CG 3.82Å; I287-P293 HydrophobicContact CG1-CG 3.77Å; I287-A532 HydrophobicContact CD1-CB 3.86Å
288	D	94.2	Very high	96.6	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	22%	0.224	S	C	.	.			trans	-139.3	-159.3	176	67.9	29.4	0	0	0	111.7	T290 H291	D288-T290 PolarHBondContact O-N 3.28Å; D288-T290 WeakPolarHBondContact OD1-CA 3.47Å; D288-T290 PolarHBondContact OD1-N 3.35Å; D288-T290 PolarHBondContact OD1-OG1 3.21Å; D288-H291 PolarHBondContact N-O 3.14Å; D288-H291 WeakPolarHBondContact OD1-CB 3.26Å; D288-H291 IonicContact OD1-CG 3.37Å; D288-H291 PolarHBondContact OD1-N 2.78Å; D288-H291 IonicContact OD1-ND1 3.76Å; D288-H291 PolarHBondContact OD1-ND1 3.01Å; D288-H291 IonicContact OD2-CE1 2.9Å; D288-H291 IonicContact OD2-CG 3.43Å; D288-H291 IonicContact OD2-ND1 2.73Å; D288-H291 PolarHBondContact OD2-ND1 2.89Å
289	L	94.7	Very high	96.7	Very high	98 Å²	98	42.1 Å²	42.1	51%	0.513	22%	0.221	S	C	.	.	S	Bend	trans	-69	-19.8	-179.6	-64	-179.9	0	0	0	113.7	M516 N523 I524	L289-M516 WeakPolarHBondContact O-CE 3.41Å; L289-N523 HydrophobicContact CD2-CB 4.12Å; L289-N523 CarbonylContact O-C 3.39Å; L289-N523 WeakPolarHBondContact O-CA 3.37Å; L289-I524 WeakPolarHBondContact O-CB 3.41Å; L289-I524 PolarHBondContact O-N 3.43Å
290	T	94.3	Very high	96.7	Very high	17 Å²	17	41.6 Å²	41.6	10%	0.104	22%	0.216	C	C	.	.	S	Bend	trans	-127.4	-3.6	-173.9	49	0	0	0	0	114	D288 K453 M516 I524	D288-T290 PolarHBondContact O-N 3.28Å; D288-T290 WeakPolarHBondContact OD1-CA 3.47Å; D288-T290 PolarHBondContact OD1-N 3.35Å; D288-T290 PolarHBondContact OD1-OG1 3.21Å; T290-K453 HydrophobicContact CG2-CD 4.04Å; T290-K453 HydrophobicContact CG2-CG 4.2Å; T290-M516 HydrophobicContact CG2-CE 4.12Å; T290-I524 WeakPolarHBondContact O-CD1 3.38Å
291	H	96.4	Very high	96.7	Very high	59 Å²	59	37.7 Å²	37.7	27%	0.273	20%	0.201	S	C	.	.			trans	-123.4	127.9	-179.2	-59.8	100.6	0	0	0	111.6	D288 R513	D288-H291 PolarHBondContact N-O 3.14Å; D288-H291 WeakPolarHBondContact OD1-CB 3.26Å; D288-H291 IonicContact OD1-CG 3.37Å; D288-H291 PolarHBondContact OD1-N 2.78Å; D288-H291 IonicContact OD1-ND1 3.76Å; D288-H291 PolarHBondContact OD1-ND1 3.01Å; D288-H291 IonicContact OD2-CE1 2.9Å; D288-H291 IonicContact OD2-CG 3.43Å; D288-H291 IonicContact OD2-ND1 2.73Å; D288-H291 PolarHBondContact OD2-ND1 2.89Å; H291-R513 PolarHBondContact NE2-NH2 2.84Å
292	N	97.2	Very high	96.7	Very high	6 Å²	6	39 Å²	39	3%	0.032	21%	0.208	C	C	.	.			trans	-127.3	142.8	168.5	-171.1	80.1	0	0	0	107.8	E294 I524 I528 A532	N292-E294 PolarHBondContact ND2-O 2.95Å; N292-E294 PolarHBondContact O-N 3.17Å; N292-I524 HydrophobicContact CB-CD1 4.45Å; N292-I524 HydrophobicContact CB-CG2 4.42Å; N292-I528 HydrophobicContact CB-CD1 3.56Å; N292-A532 PolarHBondContact OD1-N 3.03Å; N292-A532 VanDerWaalsContact OD1-N 3.08Å
293	P	97.5	Very high	96.8	Very high	24 Å²	24	37.7 Å²	37.7	16%	0.156	20%	0.203	C	C	.	.	S	Bend	trans	-63.1	-23.3	-169.6	-22.7	34.4	0	0	0	113.9	F243 F282 R283 I287 A532	F243-P293 HydrophobicContact CE2-CB 4.13Å; F243-P293 HydrophobicContact CZ-CB 3.86Å; F282-P293 CarbonylContact C-O 3.54Å; F282-P293 WeakPolarHBondContact CA-O 3.38Å; R283-P293 PolarHBondContact N-O 2.94Å; R283-P293 WeakPolarHBondContact O-CA 3.35Å; I287-P293 HydrophobicContact CD1-CG 3.82Å; I287-P293 HydrophobicContact CG1-CG 3.77Å; P293-A532 HydrophobicContact CG-CB 4.14Å
294	E	98.1	Very high	96.8	Very high	73 Å²	73	42.4 Å²	42.4	34%	0.341	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.4	167.2	74.6	173.7	135.9	0	0	108.9	R280 V281 F282 N292	R280-E294 HydrophobicContact CG-CB 4.12Å; R280-E294 IonicContact CZ-OE2 2.74Å; R280-E294 IonicContact NH1-OE2 3.33Å; R280-E294 PolarHBondContact NH1-OE2 2.95Å; V281-E294 WeakPolarHBondContact O-CA 3.46Å; F282-E294 HydrophobicContact CD1-CB 3.84Å; F282-E294 HydrophobicContact CE1-CB 4.1Å; N292-E294 PolarHBondContact ND2-O 2.95Å; N292-E294 PolarHBondContact O-N 3.17Å
295	F	98.4	Very high	96.9	Very high	39 Å²	39	39.5 Å²	39.5	17%	0.171	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	160.4	178.8	64.8	-85.5	0	0	0	111.2	R280 V281 R283	R280-F295 WeakPolarHBondContact CA-O 3.28Å; R280-F295 VanDerWaalsContact CD-O 3.28Å; R280-F295 WeakPolarHBondContact CD-O 3.4Å; V281-F295 HydrophobicContact CB-CZ 4.42Å; V281-F295 HydrophobicContact CG2-CD1 3.86Å; V281-F295 HydrophobicContact CG2-CD2 3.56Å; V281-F295 HydrophobicContact CG2-CE1 3.52Å; V281-F295 HydrophobicContact CG2-CE2 3.2Å; V281-F295 HydrophobicContact CG2-CG 3.88Å; V281-F295 HydrophobicContact CG2-CZ 3.18Å; V281-F295 WeakPolarHBondContact CG2-O 3.34Å; V281-F295 PolarHBondContact N-O 3.13Å; V281-F295 PolarHBondContact O-N 3.47Å; V281-F295 VanDerWaalsContact O-N 3.11Å; R283-F295 HydrophobicContact CB-CE1 4.47Å; R283-F295 HydrophobicContact CG-CE1 3.91Å; R283-F295 HydrophobicContact CG-CZ 4.49Å
296	T	98.7	Very high	97.2	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.049	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.4	-175	-51.3	0	0	0	0	109.7	R207 L278 G279 R280 I511 D512	R207-T296 PolarHBondContact NH2-OG1 3.35Å; L278-T296 HydrophobicContact CD2-CG2 3.79Å; L278-T296 HydrophobicContact CG-CG2 4.44Å; G279-T296 WeakPolarHBondContact O-CA 3.44Å; R280-T296 PolarHBondContact NE-OG1 3.07Å; R280-T296 PolarHBondContact NH2-OG1 3.23Å; T296-I511 HydrophobicContact CG2-CB 4.24Å; T296-I511 HydrophobicContact CG2-CG1 4.19Å; T296-I511 WeakPolarHBondContact O-CB 3.47Å; T296-I511 PolarHBondContact O-N 3.28Å; T296-D512 WeakPolarHBondContact CA-OD2 3.38Å; T296-D512 WeakPolarHBondContact CB-OD2 3.41Å; T296-D512 PolarHBondContact N-OD2 3.08Å
297	S	98.3	Very high	97.6	Very high	7 Å²	7	36.2 Å²	36.2	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.2	168.9	62.4	0	0	0	0	110.7	L278 G279 L509	L278-S297 WeakPolarHBondContact CA-O 3.31Å; G279-S297 PolarHBondContact N-O 2.8Å; G279-S297 PolarHBondContact O-N 3.44Å; S297-L509 CarbonylContact C-O 3.51Å; S297-L509 VanDerWaalsContact CA-O 3.22Å; S297-L509 WeakPolarHBondContact CA-O 3.37Å
298	C	98.8	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.3	160.1	-179.1	0	0	0	0	107	V214 E277 L278 G508 L509 I511	V214-C298 HydrophobicContact CG1-CB 4.3Å; E277-C298 WeakPolarHBondContact O-CA 3.49Å; L278-C298 HydrophobicContact CD1-CB 4.48Å; L278-C298 HydrophobicContact CG-CB 4.43Å; C298-G508 CarbonylContact O-C 3.53Å; C298-G508 WeakPolarHBondContact O-CA 3.22Å; C298-L509 PolarHBondContact N-O 3.18Å; C298-L509 PolarHBondContact O-N 3.11Å; C298-I511 HydrophobicContact CB-CD1 4.05Å; C298-I511 HydrophobicContact CB-CG1 4.36Å
299	E	98.9	Very high	98	Very high	18 Å²	18	35.3 Å²	35.3	8%	0.084	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.3	174.2	-78.6	176.3	-139.2	0	0	110	P260 E261 L264 Y276 E277 Y301 W507	P260-E299 VanDerWaalsContact CD-CD 3.49Å; P260-E299 VanDerWaalsContact CD-OE1 3.31Å; P260-E299 WeakPolarHBondContact CD-OE1 3.35Å; P260-E299 WeakPolarHBondContact CD-OE2 3.31Å; P260-E299 HydrophobicContact CG-CB 4.1Å; P260-E299 HydrophobicContact CG-CG 4.36Å; P260-E299 WeakPolarHBondContact CG-OE2 3.32Å; E261-E299 PolarHBondContact N-OE2 2.95Å; L264-E299 HydrophobicContact CD1-CB 3.82Å; Y276-E299 CarbonylContact C-O 3.46Å; Y276-E299 WeakPolarHBondContact CA-O 3.43Å; Y276-E299 WeakPolarHBondContact CB-O 3.38Å; E277-E299 PolarHBondContact N-O 2.95Å; E277-E299 PolarHBondContact O-N 3.09Å; E299-Y301 HydrophobicContact CB-CE2 4.43Å; E299-W507 CarbonylContact C-O 3.48Å; E299-W507 WeakPolarHBondContact CA-O 3.39Å
300	F	98.8	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.2	174.9	74.7	-106.3	0	0	0	111.4	L218 F223 V275 L310 I313 G506 W507	L218-F300 HydrophobicContact CD1-CD1 4.35Å; L218-F300 HydrophobicContact CD2-CD1 3.86Å; L218-F300 HydrophobicContact CD2-CE1 4.2Å; L218-F300 HydrophobicContact CD2-CG 4.2Å; F223-F300 HydrophobicContact CD1-CB 4.05Å; F223-F300 HydrophobicContact CD1-CD2 4.5Å; F223-F300 HydrophobicContact CE1-CB 3.79Å; F223-F300 AromaticContact CE1-CD2 3.47Å; F223-F300 HydrophobicContact CE1-CD2 3.47Å; F223-F300 VanDerWaalsContact CE1-CD2 3.47Å; F223-F300 HydrophobicContact CE1-CE2 4.32Å; F223-F300 AromaticContact CE1-CG 3.91Å; F223-F300 HydrophobicContact CE1-CG 3.91Å; F223-F300 AromaticContact CZ-CD2 3.67Å; F223-F300 HydrophobicContact CZ-CD2 3.67Å; F223-F300 HydrophobicContact CZ-CE2 4.07Å; F223-F300 HydrophobicContact CZ-CG 4.32Å; V275-F300 CarbonylContact O-C 3.52Å; V275-F300 WeakPolarHBondContact O-CA 3.35Å; V275-F300 WeakPolarHBondContact O-CB 3.39Å; F300-L310 HydrophobicContact CE2-CD2 3.51Å; F300-L310 HydrophobicContact CZ-CD2 3.9Å; F300-I313 HydrophobicContact CZ-CG2 4.03Å; F300-G506 WeakPolarHBondContact O-CA 3.46Å; F300-W507 HydrophobicContact CD1-CB 3.98Å; F300-W507 AromaticContact CD1-CD2 3.89Å; F300-W507 HydrophobicContact CD1-CD2 3.89Å; F300-W507 AromaticContact CD1-CE3 3.37Å; F300-W507 HydrophobicContact CD1-CE3 3.37Å; F300-W507 HydrophobicContact CD1-CG 4.19Å; F300-W507 AromaticContact CD1-CZ3 3.86Å; F300-W507 HydrophobicContact CD1-CZ3 3.86Å; F300-W507 HydrophobicContact CD2-CB 4.19Å; F300-W507 HydrophobicContact CE1-CB 3.58Å; F300-W507 AromaticContact CE1-CD2 3.31Å; F300-W507 HydrophobicContact CE1-CD2 3.31Å; F300-W507 AromaticContact CE1-CE2 3.99Å; F300-W507 AromaticContact CE1-CE3 3.26Å; F300-W507 HydrophobicContact CE1-CE3 3.26Å; F300-W507 AromaticContact CE1-CG 3.49Å; F300-W507 HydrophobicContact CE1-CG 3.49Å; F300-W507 VanDerWaalsContact CE1-CG 3.49Å; F300-W507 HydrophobicContact CE1-CH2 4.31Å; F300-W507 HydrophobicContact CE1-CZ2 4.46Å; F300-W507 AromaticContact CE1-CZ3 3.79Å; F300-W507 HydrophobicContact CE1-CZ3 3.79Å; F300-W507 HydrophobicContact CE2-CB 3.82Å; F300-W507 HydrophobicContact CE2-CG 4.45Å; F300-W507 HydrophobicContact CG-CB 4.27Å; F300-W507 HydrophobicContact CG-CE3 4.47Å; F300-W507 HydrophobicContact CZ-CB 3.48Å; F300-W507 VanDerWaalsContact CZ-CB 3.48Å; F300-W507 AromaticContact CZ-CD2 3.97Å; F300-W507 HydrophobicContact CZ-CD2 3.97Å; F300-W507 HydrophobicContact CZ-CE3 4.3Å; F300-W507 AromaticContact CZ-CG 3.64Å; F300-W507 HydrophobicContact CZ-CG 3.64Å; F300-W507 PolarHBondContact N-O 2.98Å; F300-W507 PolarHBondContact O-N 3.28Å
301	Y	98.9	Very high	98.4	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.5	179.8	-73	-100.7	0	0	0	109.2	E261 L264 K265 R274 V275 E299 E461 T504	E261-Y301 WeakPolarHBondContact CA-OH 3.45Å; E261-Y301 WeakPolarHBondContact CB-OH 3.41Å; E261-Y301 HydrophobicContact CG-CE1 4.44Å; E261-Y301 WeakPolarHBondContact CG-OH 3.35Å; L264-Y301 HydrophobicContact CB-CD2 3.32Å; L264-Y301 HydrophobicContact CB-CE2 3.59Å; L264-Y301 HydrophobicContact CB-CG 4.03Å; L264-Y301 HydrophobicContact CD1-CD2 3.65Å; L264-Y301 HydrophobicContact CD1-CE2 3.56Å; L264-Y301 HydrophobicContact CG-CD2 4.1Å; L264-Y301 HydrophobicContact CG-CE2 4.2Å; K265-Y301 HydrophobicContact CD-CE1 4.19Å; K265-Y301 HydrophobicContact CG-CD1 3.74Å; K265-Y301 HydrophobicContact CG-CE1 3.6Å; R274-Y301 WeakPolarHBondContact CA-O 3.41Å; V275-Y301 PolarHBondContact N-O 3.43Å; V275-Y301 VanDerWaalsContact N-O 3.13Å; V275-Y301 PolarHBondContact O-N 3.14Å; E299-Y301 HydrophobicContact CB-CE2 4.43Å; Y301-E461 HydrophobicContact CD1-CG 4.12Å; Y301-E461 HydrophobicContact CE1-CG 4.06Å; Y301-E461 WeakPolarHBondContact CE1-OE1 3.43Å; Y301-T504 HydrophobicContact CD1-CG2 4.25Å
302	M	98.9	Very high	98.5	Very high	28 Å²	28	30.3 Å²	30.3	14%	0.138	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.1	-174.2	-176.4	168	168.1	0	0	110.2	F223 R274 A305 I313 T504 A505	F223-M302 HydrophobicContact CE1-CB 4.17Å; F223-M302 HydrophobicContact CE2-SD 4.33Å; F223-M302 HydrophobicContact CZ-CB 3.91Å; F223-M302 HydrophobicContact CZ-CG 4.16Å; F223-M302 HydrophobicContact CZ-SD 3.89Å; R274-M302 HydrophobicContact CG-CG 4.24Å; M302-A305 HydrophobicContact CB-CB 4.09Å; M302-A305 HydrophobicContact CE-CB 4.34Å; M302-A305 HydrophobicContact CG-CB 3.81Å; M302-A305 PolarHBondContact O-N 2.94Å; M302-A305 HydrophobicContact SD-CB 4.11Å; M302-I313 HydrophobicContact SD-CD1 3.8Å; M302-T504 WeakPolarHBondContact O-CA 3.5Å; M302-A505 PolarHBondContact N-O 3.42Å; M302-A505 PolarHBondContact O-N 3.41Å; M302-A505 VanDerWaalsContact O-N 3.1Å
303	A	98.8	Very high	98.6	Very high	5 Å²	5	31 Å²	31	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	145.4	172.3	0	0	0	0	0	110.4	I268 N273 A305 P502	I268-A303 HydrophobicContact CG2-CB 3.95Å; N273-A303 HydrophobicContact CB-CB 3.93Å; N273-A303 WeakPolarHBondContact O-CB 3.38Å; N273-A303 PolarHBondContact O-N 3.35Å; A303-A305 PolarHBondContact O-N 3.19Å; A303-P502 HydrophobicContact CB-CB 4.46Å
304	Y	98.6	Very high	98.7	Very high	162 Å²	162	29.9 Å²	29.9	64%	0.635	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	13.5	-178.6	-40.8	-75.4	0	0	0	115.4	P502 P503	Y304-P502 HydrophobicContact CE1-CB 4.15Å; Y304-P503 WeakPolarHBondContact CA-O 3.48Å; Y304-P503 PolarHBondContact N-O 2.77Å
305	A	98.8	Very high	98.7	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.041	13%	0.133	C	C	.	.			trans	-100.2	155.8	169.7	0	0	0	0	0	111.2	M302 A303 D309 T504 A505	M302-A305 HydrophobicContact CB-CB 4.09Å; M302-A305 HydrophobicContact CE-CB 4.34Å; M302-A305 HydrophobicContact CG-CB 3.81Å; M302-A305 PolarHBondContact O-N 2.94Å; M302-A305 HydrophobicContact SD-CB 4.11Å; A303-A305 PolarHBondContact O-N 3.19Å; A305-D309 VanDerWaalsContact CA-OD2 3.29Å; A305-D309 WeakPolarHBondContact CA-OD2 3.45Å; A305-D309 HydrophobicContact CB-CB 4.09Å; A305-T504 CarbonylContact O-C 3.58Å; A305-A505 HydrophobicContact CB-CB 4.11Å; A305-A505 WeakPolarHBondContact O-CB 3.47Å; A305-A505 PolarHBondContact O-N 3.23Å
306	D	98.8	Very high	98.7	Very high	32 Å²	32	29.6 Å²	29.6	17%	0.171	15%	0.147	C	C	.	.			trans	-116	176.7	163.1	76.5	21.5	0	0	0	111.4	E308 D309 L310 R437 T460	D306-E308 PolarHBondContact O-N 3.17Å; D306-E308 WeakPolarHBondContact OD1-CA 3.47Å; D306-E308 VanDerWaalsContact OD1-CB 3.28Å; D306-E308 WeakPolarHBondContact OD1-CB 3.38Å; D306-E308 PolarHBondContact OD1-N 3.29Å; D306-D309 PolarHBondContact N-OD2 3Å; D306-D309 WeakPolarHBondContact O-CB 3.38Å; D306-D309 PolarHBondContact O-N 2.76Å; D306-D309 PolarHBondContact OD1-N 3.27Å; D306-L310 PolarHBondContact O-N 3.41Å; D306-R437 IonicContact OD2-CZ 3.59Å; D306-R437 IonicContact OD2-NH1 3.56Å; D306-R437 PolarHBondContact OD2-NH1 2.94Å; D306-R437 IonicContact OD2-NH2 3.03Å; D306-R437 PolarHBondContact OD2-NH2 3.46Å; D306-T460 HydrophobicContact CB-CG2 4.41Å
307	Y	98.6	Very high	98.7	Very high	15 Å²	15	29.3 Å²	29.3	6%	0.059	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-20.3	-179.6	84.5	-46.4	0	0	0	115	M311 E444 F446 T460	Y307-M311 HydrophobicContact CD2-CE 4.03Å; Y307-M311 HydrophobicContact CE2-CE 3.86Å; Y307-M311 WeakPolarHBondContact O-CG 3.41Å; Y307-M311 PolarHBondContact O-N 3Å; Y307-E444 WeakPolarHBondContact CB-O 3.49Å; Y307-E444 HydrophobicContact CD1-CB 3.7Å; Y307-E444 HydrophobicContact CD1-CG 4.3Å; Y307-E444 HydrophobicContact CD2-CB 4.18Å; Y307-E444 HydrophobicContact CE1-CB 4.04Å; Y307-E444 HydrophobicContact CE1-CG 4.24Å; Y307-E444 HydrophobicContact CE2-CB 4.47Å; Y307-E444 HydrophobicContact CG-CB 3.83Å; Y307-F446 HydrophobicContact CD2-CD1 4.23Å; Y307-F446 WeakPolarHBondContact O-CE1 3.43Å; Y307-T460 PolarHBondContact N-OG1 3.43Å; Y307-T460 VanDerWaalsContact N-OG1 3.11Å
308	E	98.6	Very high	98.7	Very high	65 Å²	65	29 Å²	29	30%	0.304	14%	0.143	S	C	.	.	H	α-helix	trans	-72	-42.5	173.9	-66.7	-71.5	166	0	0	110.8	D306 L310 M311 T312 R353	D306-E308 PolarHBondContact O-N 3.17Å; D306-E308 WeakPolarHBondContact OD1-CA 3.47Å; D306-E308 VanDerWaalsContact OD1-CB 3.28Å; D306-E308 WeakPolarHBondContact OD1-CB 3.38Å; D306-E308 PolarHBondContact OD1-N 3.29Å; E308-L310 PolarHBondContact O-N 2.68Å; E308-M311 HydrophobicContact CB-CE 4.49Å; E308-M311 HydrophobicContact CG-CE 4.2Å; E308-M311 PolarHBondContact O-N 2.87Å; E308-M311 VanDerWaalsContact O-N 3.15Å; E308-M311 WeakPolarHBondContact OE1-CE 3.16Å; E308-M311 WeakPolarHBondContact OE2-CE 3.36Å; E308-T312 PolarHBondContact O-N 3.35Å; E308-R353 IonicContact OE1-NH1 2.87Å; E308-R353 IonicContact OE2-CZ 3.47Å; E308-R353 IonicContact OE2-NH1 3.43Å; E308-R353 PolarHBondContact OE2-NH1 3.07Å; E308-R353 IonicContact OE2-NH2 2.7Å; E308-R353 PolarHBondContact OE2-NH2 3.21Å
309	D	98.7	Very high	98.7	Very high	76 Å²	76	29.3 Å²	29.3	41%	0.406	15%	0.145	S	C	.	.	H	α-helix	trans	-58.1	-42.9	173.3	-59.6	-51.1	0	0	0	110.3	A305 D306 M311 T312 I313	A305-D309 VanDerWaalsContact CA-OD2 3.29Å; A305-D309 WeakPolarHBondContact CA-OD2 3.45Å; A305-D309 HydrophobicContact CB-CB 4.09Å; D306-D309 PolarHBondContact N-OD2 3Å; D306-D309 WeakPolarHBondContact O-CB 3.38Å; D306-D309 PolarHBondContact O-N 2.76Å; D306-D309 PolarHBondContact OD1-N 3.27Å; D309-M311 VanDerWaalsContact C-N 3.34Å; D309-M311 PolarHBondContact O-N 3.16Å; D309-T312 PolarHBondContact O-N 3.25Å; D309-I313 WeakPolarHBondContact O-CG1 3.17Å; D309-I313 PolarHBondContact O-N 2.98Å
310	L	98.8	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-33.1	177.8	-65.8	-166	0	0	0	113.3	F300 D306 E308 I313 T314 F446 A458 A505 G506 W507	F300-L310 HydrophobicContact CE2-CD2 3.51Å; F300-L310 HydrophobicContact CZ-CD2 3.9Å; D306-L310 PolarHBondContact O-N 3.41Å; E308-L310 PolarHBondContact O-N 2.68Å; L310-I313 HydrophobicContact CD2-CD1 4.33Å; L310-I313 PolarHBondContact O-N 3.33Å; L310-T314 VanDerWaalsContact O-CB 3.26Å; L310-T314 WeakPolarHBondContact O-CB 3.49Å; L310-T314 PolarHBondContact O-N 3.46Å; L310-T314 PolarHBondContact O-OG1 3.48Å; L310-F446 HydrophobicContact CB-CE1 3.68Å; L310-F446 HydrophobicContact CB-CZ 3.96Å; L310-A458 HydrophobicContact CD1-CB 4.05Å; L310-A505 HydrophobicContact CD1-CB 3.37Å; L310-A505 HydrophobicContact CD2-CB 4.16Å; L310-A505 HydrophobicContact CG-CB 3.58Å; L310-G506 WeakPolarHBondContact CD1-O 3.35Å; L310-W507 HydrophobicContact CD1-CB 4.11Å
311	M	98.8	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-43.8	173.1	-78.5	-172.9	-82.3	0	0	110.8	Y307 E308 D309 T314 E315 F421 T423 F446	Y307-M311 HydrophobicContact CD2-CE 4.03Å; Y307-M311 HydrophobicContact CE2-CE 3.86Å; Y307-M311 WeakPolarHBondContact O-CG 3.41Å; Y307-M311 PolarHBondContact O-N 3Å; E308-M311 HydrophobicContact CB-CE 4.49Å; E308-M311 HydrophobicContact CG-CE 4.2Å; E308-M311 PolarHBondContact O-N 2.87Å; E308-M311 VanDerWaalsContact O-N 3.15Å; E308-M311 WeakPolarHBondContact OE1-CE 3.16Å; E308-M311 WeakPolarHBondContact OE2-CE 3.36Å; D309-M311 VanDerWaalsContact C-N 3.34Å; D309-M311 PolarHBondContact O-N 3.16Å; M311-T314 PolarHBondContact O-N 3.02Å; M311-E315 WeakPolarHBondContact O-CG 3.15Å; M311-E315 PolarHBondContact O-N 3.42Å; M311-F421 HydrophobicContact CB-CE1 4.38Å; M311-F421 HydrophobicContact CB-CE2 4.02Å; M311-F421 HydrophobicContact CB-CZ 3.95Å; M311-F421 HydrophobicContact CG-CD1 4.05Å; M311-F421 HydrophobicContact CG-CD2 4.19Å; M311-F421 HydrophobicContact CG-CE1 3.96Å; M311-F421 HydrophobicContact CG-CE2 4.1Å; M311-F421 HydrophobicContact CG-CG 4.15Å; M311-F421 HydrophobicContact CG-CZ 3.99Å; M311-F421 WeakPolarHBondContact O-CZ 3.48Å; M311-F421 HydrophobicContact SD-CB 4.25Å; M311-F421 HydrophobicContact SD-CD1 4.42Å; M311-F421 HydrophobicContact SD-CD2 4.04Å; M311-F421 HydrophobicContact SD-CE2 4.47Å; M311-F421 HydrophobicContact SD-CG 4Å; M311-T423 HydrophobicContact SD-CG2 4.06Å; M311-F446 HydrophobicContact CB-CE1 4.42Å; M311-F446 HydrophobicContact CG-CD1 3.48Å; M311-F446 VanDerWaalsContact CG-CD1 3.48Å; M311-F446 HydrophobicContact CG-CD2 4.37Å; M311-F446 HydrophobicContact CG-CE1 3.52Å; M311-F446 HydrophobicContact CG-CE2 4.41Å; M311-F446 HydrophobicContact CG-CG 3.91Å; M311-F446 HydrophobicContact CG-CZ 3.99Å; M311-F446 HydrophobicContact SD-CD1 4.27Å; M311-F446 HydrophobicContact SD-CG 4.44Å
312	T	98.7	Very high	98.7	Very high	70 Å²	70	29.1 Å²	29.1	43%	0.429	15%	0.149	S	C	.	.	H	α-helix	trans	-63.2	-46.3	175	-61.8	0	0	0	0	112	E308 D309 T314 E315 D316	E308-T312 PolarHBondContact O-N 3.35Å; D309-T312 PolarHBondContact O-N 3.25Å; T312-T314 VanDerWaalsContact C-N 3.26Å; T312-T314 PolarHBondContact O-N 3.42Å; T312-E315 PolarHBondContact O-N 2.63Å; T312-D316 PolarHBondContact O-N 3.41Å
313	I	98.8	Very high	98.7	Very high	21 Å²	21	32.6 Å²	32.6	11%	0.108	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-39.5	176.3	-69	171.7	0	0	0	111	F217 L221 F300 M302 D309 L310 D316 L317	F217-I313 HydrophobicContact CE1-CG2 3.88Å; F217-I313 HydrophobicContact CZ-CG2 4.29Å; L221-I313 HydrophobicContact CD1-CG2 4.43Å; F300-I313 HydrophobicContact CZ-CG2 4.03Å; M302-I313 HydrophobicContact SD-CD1 3.8Å; D309-I313 WeakPolarHBondContact O-CG1 3.17Å; D309-I313 PolarHBondContact O-N 2.98Å; L310-I313 HydrophobicContact CD2-CD1 4.33Å; L310-I313 PolarHBondContact O-N 3.33Å; I313-D316 PolarHBondContact O-N 3.33Å; I313-L317 VanDerWaalsContact O-CB 3.3Å; I313-L317 WeakPolarHBondContact O-CB 2.98Å; I313-L317 PolarHBondContact O-N 2.89Å
314	T	98.8	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-43.6	178.3	-58.9	0	0	0	0	111.7	L310 M311 T312 L317 I318 F421 L448 W507	L310-T314 VanDerWaalsContact O-CB 3.26Å; L310-T314 WeakPolarHBondContact O-CB 3.49Å; L310-T314 PolarHBondContact O-N 3.46Å; L310-T314 PolarHBondContact O-OG1 3.48Å; M311-T314 PolarHBondContact O-N 3.02Å; T312-T314 VanDerWaalsContact C-N 3.26Å; T312-T314 PolarHBondContact O-N 3.42Å; T314-L317 PolarHBondContact O-N 3.12Å; T314-I318 HydrophobicContact CG2-CG1 4.12Å; T314-I318 WeakPolarHBondContact O-CB 3.2Å; T314-I318 VanDerWaalsContact O-CG1 3.29Å; T314-I318 WeakPolarHBondContact O-CG1 3.43Å; T314-I318 PolarHBondContact O-N 3.11Å; T314-F421 HydrophobicContact CG2-CE1 3.89Å; T314-F421 HydrophobicContact CG2-CZ 4.06Å; T314-L448 HydrophobicContact CG2-CD2 3.77Å; T314-W507 PolarHBondContact OG1-NE1 3.19Å
315	E	98.8	Very high	98.6	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-48.3	174.7	-76.8	174.4	161.4	0	0	111.5	M311 T312 S319 P349 P350 F351 F421	M311-E315 WeakPolarHBondContact O-CG 3.15Å; M311-E315 PolarHBondContact O-N 3.42Å; T312-E315 PolarHBondContact O-N 2.63Å; E315-S319 WeakPolarHBondContact O-CB 3.46Å; E315-S319 PolarHBondContact O-N 3.36Å; E315-S319 PolarHBondContact O-OG 2.95Å; E315-P349 HydrophobicContact CB-CB 4.11Å; E315-P349 HydrophobicContact CG-CB 4.33Å; E315-P350 WeakPolarHBondContact OE1-CA 3.39Å; E315-F351 HydrophobicContact CB-CE2 4.43Å; E315-F351 HydrophobicContact CG-CB 4.3Å; E315-F351 HydrophobicContact CG-CD1 4.33Å; E315-F351 HydrophobicContact CG-CD2 3.67Å; E315-F351 HydrophobicContact CG-CE2 3.99Å; E315-F351 HydrophobicContact CG-CG 3.85Å; E315-F351 HydrophobicContact CG-CZ 4.44Å; E315-F351 PolarHBondContact OE1-N 3.27Å; E315-F421 HydrophobicContact CG-CE2 3.83Å; E315-F421 HydrophobicContact CG-CZ 4.02Å
316	D	98.6	Very high	98.5	Very high	88 Å²	88	35 Å²	35	47%	0.471	18%	0.177	S	C	.	.	H	α-helix	trans	-63.1	-45	179.4	-75.5	-20.1	0	0	0	111.9	F217 T312 I313 G320	F217-D316 HydrophobicContact CE2-CB 4.14Å; F217-D316 HydrophobicContact CZ-CB 4.06Å; T312-D316 PolarHBondContact O-N 3.41Å; I313-D316 PolarHBondContact O-N 3.33Å; D316-G320 WeakPolarHBondContact O-CA 3.45Å; D316-G320 PolarHBondContact O-N 3.06Å
317	L	98.7	Very high	98.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-53.7	179.3	175.3	64.5	0	0	0	111.7	Y213 V214 F217 I313 T314 L321 W507	Y213-L317 HydrophobicContact CD1-CD1 4.19Å; Y213-L317 HydrophobicContact CE1-CD1 4.05Å; V214-L317 HydrophobicContact CG2-CD1 4.34Å; F217-L317 HydrophobicContact CB-CD1 3.76Å; F217-L317 HydrophobicContact CD1-CB 4.17Å; F217-L317 HydrophobicContact CD1-CD1 3.6Å; F217-L317 HydrophobicContact CD1-CG 4.33Å; F217-L317 HydrophobicContact CD2-CB 4.43Å; F217-L317 HydrophobicContact CD2-CD1 3.96Å; F217-L317 HydrophobicContact CE1-CB 3.8Å; F217-L317 HydrophobicContact CE1-CD1 4.14Å; F217-L317 HydrophobicContact CE1-CG 4.42Å; F217-L317 HydrophobicContact CE2-CB 4.08Å; F217-L317 HydrophobicContact CE2-CD1 4.46Å; F217-L317 HydrophobicContact CG-CB 4.47Å; F217-L317 HydrophobicContact CG-CD1 3.49Å; F217-L317 VanDerWaalsContact CG-CD1 3.49Å; F217-L317 HydrophobicContact CZ-CB 3.75Å; I313-L317 VanDerWaalsContact O-CB 3.3Å; I313-L317 WeakPolarHBondContact O-CB 2.98Å; I313-L317 PolarHBondContact O-N 2.89Å; T314-L317 PolarHBondContact O-N 3.12Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 PolarHBondContact O-N 3.39Å; L317-W507 HydrophobicContact CD2-CH2 3.66Å; L317-W507 HydrophobicContact CD2-CZ2 4.03Å
318	I	98.6	Very high	98.4	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-71.1	-48.4	-172.7	-62.6	-61.9	0	0	0	110.6	T314 G320 L321 V322 F351 L448 L514	T314-I318 HydrophobicContact CG2-CG1 4.12Å; T314-I318 WeakPolarHBondContact O-CB 3.2Å; T314-I318 VanDerWaalsContact O-CG1 3.29Å; T314-I318 WeakPolarHBondContact O-CG1 3.43Å; T314-I318 PolarHBondContact O-N 3.11Å; I318-G320 VanDerWaalsContact C-N 3.35Å; I318-G320 PolarHBondContact O-N 3.15Å; I318-L321 PolarHBondContact O-N 3.4Å; I318-V322 VanDerWaalsContact O-CG2 3.27Å; I318-V322 WeakPolarHBondContact O-CG2 3.42Å; I318-V322 PolarHBondContact O-N 3.19Å; I318-F351 HydrophobicContact CB-CE2 4.2Å; I318-F351 HydrophobicContact CB-CZ 4.2Å; I318-F351 HydrophobicContact CG2-CE2 4.34Å; I318-F351 HydrophobicContact CG2-CZ 4.16Å; I318-L448 HydrophobicContact CG1-CD2 4.09Å; I318-L514 HydrophobicContact CD1-CD1 4.24Å; I318-L514 HydrophobicContact CD1-CD2 4.41Å
319	S	98.5	Very high	98.3	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-38.8	179.6	73.3	0	0	0	0	111.6	E315 V322 K323 Y329 C347	E315-S319 WeakPolarHBondContact O-CB 3.46Å; E315-S319 PolarHBondContact O-N 3.36Å; E315-S319 PolarHBondContact O-OG 2.95Å; S319-V322 PolarHBondContact O-N 3.48Å; S319-K323 WeakPolarHBondContact O-CB 3.2Å; S319-K323 PolarHBondContact O-N 3.24Å; S319-Y329 WeakPolarHBondContact O-CE1 3.23Å; S319-C347 WeakPolarHBondContact CB-O 3.33Å
320	G	98.6	Very high	98.3	Very high	16 Å²	16	38.7 Å²	38.7	17%	0.165	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-44	175.1	0	0	0	0	0	112.5	Y213 D316 I318 K323 H324	Y213-G320 WeakPolarHBondContact OH-CA 3.48Å; Y213-G320 PolarHBondContact OH-O 3.49Å; D316-G320 WeakPolarHBondContact O-CA 3.45Å; D316-G320 PolarHBondContact O-N 3.06Å; I318-G320 VanDerWaalsContact C-N 3.35Å; I318-G320 PolarHBondContact O-N 3.15Å; G320-K323 PolarHBondContact O-N 3.47Å; G320-H324 VanDerWaalsContact O-CB 3.23Å; G320-H324 WeakPolarHBondContact O-CB 3.41Å; G320-H324 PolarHBondContact O-N 3.06Å
321	L	98.6	Very high	98.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-49.4	175.6	173.6	62.7	0	0	0	111.6	I210 Y213 L317 I318 K323 H324 L325 L514 L518	I210-L321 HydrophobicContact CG1-CD1 4.3Å; I210-L321 HydrophobicContact CG1-CD2 4.35Å; I210-L321 HydrophobicContact CG2-CD2 4.01Å; Y213-L321 HydrophobicContact CD1-CB 3.76Å; Y213-L321 HydrophobicContact CD1-CD1 3.66Å; Y213-L321 HydrophobicContact CD1-CG 4.24Å; Y213-L321 HydrophobicContact CD2-CD1 4.28Å; Y213-L321 HydrophobicContact CE1-CB 3.67Å; Y213-L321 HydrophobicContact CE1-CD1 4.37Å; Y213-L321 HydrophobicContact CG-CB 4.45Å; Y213-L321 HydrophobicContact CG-CD1 3.61Å; Y213-L321 PolarHBondContact OH-N 2.73Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 PolarHBondContact O-N 3.39Å; I318-L321 PolarHBondContact O-N 3.4Å; L321-K323 VanDerWaalsContact C-N 3.34Å; L321-K323 PolarHBondContact O-N 3.25Å; L321-H324 PolarHBondContact O-N 2.98Å; L321-L325 HydrophobicContact CD1-CD1 3.72Å; L321-L325 HydrophobicContact CD1-CG 3.95Å; L321-L325 HydrophobicContact CG-CD1 4.14Å; L321-L325 WeakPolarHBondContact O-CG 3.36Å; L321-L325 PolarHBondContact O-N 3.17Å; L321-L514 HydrophobicContact CD2-CD2 3.74Å; L321-L514 HydrophobicContact CD2-CG 4.4Å; L321-L518 HydrophobicContact CD2-CD1 3.7Å; L321-L518 HydrophobicContact CG-CD1 4.08Å
322	V	98.5	Very high	98.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-47.9	180	173.2	0	0	0	0	110.1	I318 S319 H324 L325 F326 S328 I331 C347 L518	I318-V322 VanDerWaalsContact O-CG2 3.27Å; I318-V322 WeakPolarHBondContact O-CG2 3.42Å; I318-V322 PolarHBondContact O-N 3.19Å; S319-V322 PolarHBondContact O-N 3.48Å; V322-H324 PolarHBondContact O-N 3.01Å; V322-L325 PolarHBondContact O-N 3.17Å; V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 WeakPolarHBondContact O-CD2 3.23Å; V322-F326 PolarHBondContact O-N 3.21Å; V322-S328 CarbonylContact C-O 3.51Å; V322-S328 WeakPolarHBondContact CG1-O 3.19Å; V322-I331 HydrophobicContact CG1-CG2 3.65Å; V322-C347 HydrophobicContact CB-CB 4.43Å; V322-C347 HydrophobicContact CG1-CB 4.31Å; V322-C347 HydrophobicContact CG2-CB 4.22Å; V322-L518 HydrophobicContact CG2-CD2 3.74Å
323	K	98.4	Very high	98	Very high	100 Å²	100	42 Å²	42	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-39.5	175.8	-175.4	172.6	-174.7	177	0	113	S319 G320 L321 L325 G327 S328 Y329	S319-K323 WeakPolarHBondContact O-CB 3.2Å; S319-K323 PolarHBondContact O-N 3.24Å; G320-K323 PolarHBondContact O-N 3.47Å; L321-K323 VanDerWaalsContact C-N 3.34Å; L321-K323 PolarHBondContact O-N 3.25Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-G327 WeakPolarHBondContact O-CA 3.34Å; K323-G327 PolarHBondContact O-N 2.87Å; K323-S328 WeakPolarHBondContact CA-O 3.43Å; K323-S328 PolarHBondContact N-O 3.2Å; K323-Y329 HydrophobicContact CB-CD1 4.17Å; K323-Y329 HydrophobicContact CB-CE1 3.9Å; K323-Y329 HydrophobicContact CD-CE1 3.84Å; K323-Y329 HydrophobicContact CD-CE2 3.94Å; K323-Y329 VanDerWaalsContact CD-CZ 3.46Å; K323-Y329 WeakPolarHBondContact CD-OH 3.45Å; K323-Y329 HydrophobicContact CG-CE1 4.49Å; K323-Y329 PolarHBondContact NZ-OH 2.97Å; K323-Y329 VanDerWaalsContact NZ-OH 3.11Å
324	H	98.1	Very high	97.8	Very high	103 Å²	103	42.4 Å²	42.4	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-39.1	177.9	176.7	75	0	0	0	112.3	Y213 G320 L321 V322	Y213-H324 HydrophobicContact CD2-CB 4.03Å; Y213-H324 AromaticContact CD2-CD2 3.66Å; Y213-H324 AromaticContact CD2-CG 3.75Å; Y213-H324 HydrophobicContact CE2-CB 3.62Å; Y213-H324 AromaticContact CE2-CG 3.72Å; G320-H324 VanDerWaalsContact O-CB 3.23Å; G320-H324 WeakPolarHBondContact O-CB 3.41Å; G320-H324 PolarHBondContact O-N 3.06Å; L321-H324 PolarHBondContact O-N 2.98Å; V322-H324 PolarHBondContact O-N 3.01Å
325	L	97.3	Very high	97.5	Very high	22 Å²	22	44.3 Å²	44.3	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-80.1	-40.4	-178.6	-67.9	179.6	0	0	0	113	T206 R209 I210 L321 V322 K323 L518	T206-L325 HydrophobicContact CG2-CD1 4.27Å; R209-L325 HydrophobicContact CB-CD2 3.92Å; I210-L325 HydrophobicContact CG1-CD1 3.81Å; L321-L325 HydrophobicContact CD1-CD1 3.72Å; L321-L325 HydrophobicContact CD1-CG 3.95Å; L321-L325 HydrophobicContact CG-CD1 4.14Å; L321-L325 WeakPolarHBondContact O-CG 3.36Å; L321-L325 PolarHBondContact O-N 3.17Å; V322-L325 PolarHBondContact O-N 3.17Å; K323-L325 VanDerWaalsContact C-N 3.34Å; L325-L518 HydrophobicContact CD1-CD1 4.03Å
326	F	96.7	Very high	97.1	Very high	98 Å²	98	50.1 Å²	50.1	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-114.9	-5.9	-168.8	-56.6	-70.1	0	0	0	114.7	V322 S328 I331 L518	V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 WeakPolarHBondContact O-CD2 3.23Å; V322-F326 PolarHBondContact O-N 3.21Å; F326-S328 PolarHBondContact O-N 2.88Å; F326-I331 HydrophobicContact CD2-CG2 3.83Å; F326-I331 HydrophobicContact CE2-CG2 4.22Å; F326-I331 HydrophobicContact CG-CG2 4.36Å; F326-L518 HydrophobicContact CE2-CB 4.24Å; F326-L518 HydrophobicContact CE2-CD2 4.13Å; F326-L518 HydrophobicContact CZ-CB 4.33Å; F326-L518 WeakPolarHBondContact CZ-O 3.4Å
327	G	97.5	Very high	96.4	Very high	68 Å²	68	47.1 Å²	47.1	70%	0.701	26%	0.258	S	S	*	.	S	Bend	trans	70.3	5.6	-175.8	0	0	0	0	0	114.4	K323	K323-G327 WeakPolarHBondContact O-CA 3.34Å; K323-G327 PolarHBondContact O-N 2.87Å
328	S	97.7	Very high	95.7	Very high	48 Å²	48	50.9 Å²	50.9	34%	0.336	29%	0.289	S	S	.	.	S	Bend	trans	-143	157.9	-175.3	178.3	0	0	0	0	109.3	V322 K323 F326 I330	V322-S328 CarbonylContact C-O 3.51Å; V322-S328 WeakPolarHBondContact CG1-O 3.19Å; K323-S328 WeakPolarHBondContact CA-O 3.43Å; K323-S328 PolarHBondContact N-O 3.2Å; F326-S328 PolarHBondContact O-N 2.88Å; S328-I330 VanDerWaalsContact C-N 3.34Å; S328-I330 PolarHBondContact OG-N 3.32Å; S328-I330 PolarHBondContact OG-O 3.39Å
329	Y	98.2	Very high	95	Very high	67 Å²	67	59.9 Å²	59.9	26%	0.263	33%	0.332	S	S	.	.	S	Bend	trans	-86	-10.5	168.3	-65	-69.3	0	0	0	113	S319 K323 C347 T348	S319-Y329 WeakPolarHBondContact O-CE1 3.23Å; K323-Y329 HydrophobicContact CB-CD1 4.17Å; K323-Y329 HydrophobicContact CB-CE1 3.9Å; K323-Y329 HydrophobicContact CD-CE1 3.84Å; K323-Y329 HydrophobicContact CD-CE2 3.94Å; K323-Y329 VanDerWaalsContact CD-CZ 3.46Å; K323-Y329 WeakPolarHBondContact CD-OH 3.45Å; K323-Y329 HydrophobicContact CG-CE1 4.49Å; K323-Y329 PolarHBondContact NZ-OH 2.97Å; K323-Y329 VanDerWaalsContact NZ-OH 3.11Å; Y329-C347 WeakPolarHBondContact O-CA 3.17Å; Y329-C347 VanDerWaalsContact O-CB 3.26Å; Y329-C347 WeakPolarHBondContact O-CB 3.04Å; Y329-C347 PolarHBondContact O-N 2.81Å; Y329-T348 WeakPolarHBondContact CB-OG1 3.48Å
330	I	97.9	Very high	94.6	Very high	83 Å²	83	61.1 Å²	61.1	43%	0.426	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.8	-176.6	-59.7	173.4	0	0	0	109.2	S328 I344 V345	S328-I330 VanDerWaalsContact C-N 3.34Å; S328-I330 PolarHBondContact OG-N 3.32Å; S328-I330 PolarHBondContact OG-O 3.39Å; I330-I344 HydrophobicContact CG2-CG2 3.46Å; I330-I344 VanDerWaalsContact CG2-CG2 3.46Å; I330-V345 WeakPolarHBondContact CA-O 3.45Å
331	I	96.7	Very high	94.3	Very high	13 Å²	13	67.5 Å²	67.5	7%	0.067	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	159.5	173.2	66.1	177.9	0	0	0	110.9	V322 F326 V345 M450 L518	V322-I331 HydrophobicContact CG1-CG2 3.65Å; F326-I331 HydrophobicContact CD2-CG2 3.83Å; F326-I331 HydrophobicContact CE2-CG2 4.22Å; F326-I331 HydrophobicContact CG-CG2 4.36Å; I331-V345 HydrophobicContact CD1-CB 4.37Å; I331-V345 HydrophobicContact CG1-CB 3.73Å; I331-V345 HydrophobicContact CG1-CG1 4.28Å; I331-V345 HydrophobicContact CG1-CG2 4.43Å; I331-V345 PolarHBondContact N-O 3.43Å; I331-V345 PolarHBondContact O-N 3.3Å; I331-M450 HydrophobicContact CD1-CE 4.43Å; I331-L518 HydrophobicContact CD1-CD2 4.01Å
332	K	95.7	Very high	94.1	Very high	112 Å²	112	71.7 Å²	71.7	49%	0.487	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.6	176.4	-67.5	173.7	165	-130.9	0	109.3	E342 I344	K332-E342 VanDerWaalsContact CD-OE2 3.3Å; K332-E342 WeakPolarHBondContact CD-OE2 3.42Å; K332-E342 WeakPolarHBondContact CE-OE2 3.37Å; K332-E342 IonicContact NZ-OE1 2.69Å; K332-E342 PolarHBondContact NZ-OE1 3.45Å; K332-E342 IonicContact NZ-OE2 3.18Å; K332-E342 PolarHBondContact NZ-OE2 3.19Å; K332-I344 HydrophobicContact CG-CD1 3.85Å
333	Y	96.6	Very high	93.9	Very high	14 Å²	14	74 Å²	74	6%	0.055	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.8	-179.9	-174.6	-102.5	0	0	0	111.9	P335 I343 L451 F517 N520 T521 N522	Y333-P335 HydrophobicContact CD1-CB 4.27Å; Y333-P335 VanDerWaalsContact CE1-CA 3.48Å; Y333-P335 HydrophobicContact CE1-CB 3.83Å; Y333-I343 PolarHBondContact N-O 2.93Å; Y333-I343 PolarHBondContact O-N 2.94Å; Y333-L451 HydrophobicContact CD1-CD1 3.43Å; Y333-L451 VanDerWaalsContact CD1-CD1 3.43Å; Y333-L451 HydrophobicContact CD1-CD2 3.48Å; Y333-L451 VanDerWaalsContact CD1-CD2 3.48Å; Y333-L451 HydrophobicContact CD1-CG 3.99Å; Y333-L451 HydrophobicContact CD2-CD1 3.65Å; Y333-L451 HydrophobicContact CE1-CB 4.47Å; Y333-L451 HydrophobicContact CE1-CD1 3.77Å; Y333-L451 HydrophobicContact CE1-CD2 4.13Å; Y333-L451 HydrophobicContact CE1-CG 4.34Å; Y333-L451 HydrophobicContact CE2-CD1 4.01Å; Y333-L451 HydrophobicContact CG-CD1 3.34Å; Y333-L451 HydrophobicContact CG-CD2 4Å; Y333-L451 HydrophobicContact CG-CG 4.28Å; Y333-F517 AromaticContact CE2-CD1 3.95Å; Y333-F517 HydrophobicContact CE2-CD1 3.95Å; Y333-N520 VanDerWaalsContact CA-OD1 3.3Å; Y333-N520 WeakPolarHBondContact CA-OD1 3.31Å; Y333-T521 PolarHBondContact OH-O 3.28Å; Y333-N522 WeakPolarHBondContact OH-CA 3.22Å
334	H	96.2	Very high	93.9	Very high	30 Å²	30	73.3 Å²	73.3	14%	0.139	40%	0.402	C	S	.	.			trans	-119.2	93	-178.3	-61.7	67.3	0	0	0	108.7	D336 G337 S340 N520	H334-D336 VanDerWaalsContact C-N 3.26Å; H334-D336 PolarHBondContact O-N 3.16Å; H334-G337 WeakPolarHBondContact CB-O 3.38Å; H334-G337 PolarHBondContact O-N 3.13Å; H334-S340 PolarHBondContact CD2-O 3.02Å; H334-N520 PolarHBondContact N-OD1 3.31Å; H334-N520 PolarHBondContact ND1-ND2 3.48Å; H334-N520 PolarHBondContact ND1-OD1 3.46Å
335	P	91	Very high	93.9	Very high	40 Å²	40	68.4 Å²	68.4	26%	0.26	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.5	-172.4	25.7	-35.2	0	0	0	113.3	Y333 I343 N522	Y333-P335 HydrophobicContact CD1-CB 4.27Å; Y333-P335 VanDerWaalsContact CE1-CA 3.48Å; Y333-P335 HydrophobicContact CE1-CB 3.83Å; P335-I343 HydrophobicContact CG-CD1 3.8Å; P335-I343 HydrophobicContact CG-CG1 4.41Å; P335-N522 WeakPolarHBondContact O-CB 3.41Å; P335-N522 PolarHBondContact O-ND2 3.39Å
336	D	90.6	Very high	93.9	Very high	139 Å²	139	70.4 Å²	70.4	74%	0.743	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	11.9	-176.4	-57.7	-53.8	0	0	0	112.9	H334	H334-D336 VanDerWaalsContact C-N 3.26Å; H334-D336 PolarHBondContact O-N 3.16Å
337	G	85.2	Confident	94	Very high	25 Å²	25	65.7 Å²	65.7	26%	0.258	37%	0.37	S	S	.	.			trans	105.1	169.2	178.2	0	0	0	0	0	113.6	H334 E339 S340	H334-G337 WeakPolarHBondContact CB-O 3.38Å; H334-G337 PolarHBondContact O-N 3.13Å; G337-E339 PolarHBondContact O-N 2.89Å; G337-S340 WeakPolarHBondContact O-CB 3.47Å; G337-S340 PolarHBondContact O-N 2.94Å; G337-S340 PolarHBondContact O-OG 3.04Å
338	A	82.8	Confident	94	Very high	80 Å²	80	65.4 Å²	65.4	66%	0.661	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.3	-166	0	0	0	0	0	116.5
339	E	84.5	Confident	94	Very high	192 Å²	192	65.3 Å²	65.3	90%	0.897	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.1	177.9	-55.2	-63.3	148.4	0	0	113	G337	G337-E339 PolarHBondContact O-N 2.89Å
340	S	90.2	Very high	94.1	Very high	31 Å²	31	67.4 Å²	67.4	22%	0.217	37%	0.374	C	S	.	.	S	Bend	trans	-81	169.4	177.5	79.6	0	0	0	0	111.8	H334 G337 E342	H334-S340 PolarHBondContact CD2-O 3.02Å; G337-S340 WeakPolarHBondContact O-CB 3.47Å; G337-S340 PolarHBondContact O-N 2.94Å; G337-S340 PolarHBondContact O-OG 3.04Å; S340-E342 PolarHBondContact O-N 3.45Å
341	D	91.8	Very high	94.1	Very high	149 Å²	149	64 Å²	64	80%	0.797	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-57	139	169.3	-69	-36.6	0	0	0	110.6
342	E	94.3	Very high	94.2	Very high	90 Å²	90	68.8 Å²	68.8	42%	0.421	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-82.7	137.9	175.5	67.4	177.3	-158.7	0	0	110.7	K332 S340	K332-E342 VanDerWaalsContact CD-OE2 3.3Å; K332-E342 WeakPolarHBondContact CD-OE2 3.42Å; K332-E342 WeakPolarHBondContact CE-OE2 3.37Å; K332-E342 IonicContact NZ-OE1 2.69Å; K332-E342 PolarHBondContact NZ-OE1 3.45Å; K332-E342 IonicContact NZ-OE2 3.18Å; K332-E342 PolarHBondContact NZ-OE2 3.19Å; S340-E342 PolarHBondContact O-N 3.45Å
343	I	95.4	Very high	94.3	Very high	51 Å²	51	68.8 Å²	68.8	26%	0.262	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.1	167.4	-59.9	178.7	0	0	0	107.7	Y333 P335 V345 V417 L451	Y333-I343 PolarHBondContact N-O 2.93Å; Y333-I343 PolarHBondContact O-N 2.94Å; P335-I343 HydrophobicContact CG-CD1 3.8Å; P335-I343 HydrophobicContact CG-CG1 4.41Å; I343-V345 HydrophobicContact CG2-CG2 4.29Å; I343-V417 HydrophobicContact CG2-CG1 3.58Å; I343-L451 HydrophobicContact CG2-CD2 4.22Å
344	I	96.9	Very high	94.4	Very high	85 Å²	85	68.2 Å²	68.2	44%	0.436	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.6	171.1	-57.3	-55.3	0	0	0	108.3	I330 K332	I330-I344 HydrophobicContact CG2-CG2 3.46Å; I330-I344 VanDerWaalsContact CG2-CG2 3.46Å; K332-I344 HydrophobicContact CG-CD1 3.85Å
345	V	97.8	Very high	94.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.7	177.4	-175.7	0	0	0	0	108.4	I330 I331 I343 N418 M450 L451	I330-V345 WeakPolarHBondContact CA-O 3.45Å; I331-V345 HydrophobicContact CD1-CB 4.37Å; I331-V345 HydrophobicContact CG1-CB 3.73Å; I331-V345 HydrophobicContact CG1-CG1 4.28Å; I331-V345 HydrophobicContact CG1-CG2 4.43Å; I331-V345 PolarHBondContact N-O 3.43Å; I331-V345 PolarHBondContact O-N 3.3Å; I343-V345 HydrophobicContact CG2-CG2 4.29Å; V345-N418 WeakPolarHBondContact CA-OD1 3.43Å; V345-M450 HydrophobicContact CG1-CG 3.9Å; V345-M450 HydrophobicContact CG1-SD 3.67Å; V345-L451 HydrophobicContact CG2-CD1 4.17Å; V345-L451 HydrophobicContact CG2-CD2 3.59Å; V345-L451 HydrophobicContact CG2-CG 3.94Å
346	D	98.3	Very high	94.8	Very high	63 Å²	63	66.1 Å²	66.1	34%	0.337	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	110.6	178.7	-172.8	0.9	0	0	0	110.4	T348 N418 P419	D346-T348 VanDerWaalsContact C-N 3.34Å; D346-T348 WeakPolarHBondContact OD1-CB 3.43Å; D346-T348 PolarHBondContact OD1-N 3.22Å; D346-T348 PolarHBondContact OD1-OG1 3.01Å; D346-N418 PolarHBondContact N-OD1 2.86Å; D346-P419 WeakPolarHBondContact O-CD 3.33Å
347	C	98.2	Very high	95.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.329	C	S	.	.			trans	-97.6	26.9	177.8	-53.3	0	0	0	0	112.1	S319 V322 Y329 F351 P419	S319-C347 WeakPolarHBondContact CB-O 3.33Å; V322-C347 HydrophobicContact CB-CB 4.43Å; V322-C347 HydrophobicContact CG1-CB 4.31Å; V322-C347 HydrophobicContact CG2-CB 4.22Å; Y329-C347 WeakPolarHBondContact O-CA 3.17Å; Y329-C347 VanDerWaalsContact O-CB 3.26Å; Y329-C347 WeakPolarHBondContact O-CB 3.04Å; Y329-C347 PolarHBondContact O-N 2.81Å; C347-F351 WeakPolarHBondContact O-CE1 3.33Å; C347-P419 HydrophobicContact CB-CG 4.16Å
348	T	98.5	Very high	95.7	Very high	62 Å²	62	63.1 Å²	63.1	38%	0.38	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-76.7	124.9	174.3	-54.6	0	0	0	0	110	Y329 D346	Y329-T348 WeakPolarHBondContact CB-OG1 3.48Å; D346-T348 VanDerWaalsContact C-N 3.34Å; D346-T348 WeakPolarHBondContact OD1-CB 3.43Å; D346-T348 PolarHBondContact OD1-N 3.22Å; D346-T348 PolarHBondContact OD1-OG1 3.01Å
349	P	98.3	Very high	96.4	Very high	46 Å²	46	62.2 Å²	62.2	30%	0.299	32%	0.319	S	S	.	.	S	Bend	trans	-74.3	157.6	175.6	31.1	-34.6	0	0	0	111.9	E315 F351	E315-P349 HydrophobicContact CB-CB 4.11Å; E315-P349 HydrophobicContact CG-CB 4.33Å; P349-F351 HydrophobicContact CB-CE1 4.45Å
350	P	98.4	Very high	97	Very high	111 Å²	111	53 Å²	53	72%	0.721	28%	0.276	S	S	*	.	S	Bend	cis	-76.2	145.4	-1.3	31.7	-34.9	0	0	0	112.2	E315	E315-P350 WeakPolarHBondContact OE1-CA 3.39Å
351	F	98.6	Very high	97.3	Very high	11 Å²	11	52.5 Å²	52.5	5%	0.048	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-73.5	150.1	177.4	-63.7	-13.9	0	0	0	110.7	E315 I318 C347 P349 P419 F421 L448	E315-F351 HydrophobicContact CB-CE2 4.43Å; E315-F351 HydrophobicContact CG-CB 4.3Å; E315-F351 HydrophobicContact CG-CD1 4.33Å; E315-F351 HydrophobicContact CG-CD2 3.67Å; E315-F351 HydrophobicContact CG-CE2 3.99Å; E315-F351 HydrophobicContact CG-CG 3.85Å; E315-F351 HydrophobicContact CG-CZ 4.44Å; E315-F351 PolarHBondContact OE1-N 3.27Å; I318-F351 HydrophobicContact CB-CE2 4.2Å; I318-F351 HydrophobicContact CB-CZ 4.2Å; I318-F351 HydrophobicContact CG2-CE2 4.34Å; I318-F351 HydrophobicContact CG2-CZ 4.16Å; C347-F351 WeakPolarHBondContact O-CE1 3.33Å; P349-F351 HydrophobicContact CB-CE1 4.45Å; F351-P419 HydrophobicContact CB-CB 4.48Å; F351-P419 WeakPolarHBondContact CB-O 3.5Å; F351-P419 HydrophobicContact CD1-CB 3.85Å; F351-P419 HydrophobicContact CD2-CB 3.59Å; F351-P419 HydrophobicContact CE1-CB 3.92Å; F351-P419 HydrophobicContact CE1-CG 4.25Å; F351-P419 HydrophobicContact CE2-CB 3.66Å; F351-P419 HydrophobicContact CE2-CG 4.45Å; F351-P419 HydrophobicContact CG-CB 3.71Å; F351-P419 HydrophobicContact CZ-CB 3.83Å; F351-P419 HydrophobicContact CZ-CG 4.2Å; F351-F421 HydrophobicContact CB-CD2 3.92Å; F351-F421 HydrophobicContact CB-CE2 3.72Å; F351-F421 AromaticContact CD2-CE2 3.9Å; F351-F421 HydrophobicContact CD2-CE2 3.9Å; F351-F421 AromaticContact CD2-CZ 3.91Å; F351-F421 HydrophobicContact CD2-CZ 3.91Å; F351-F421 HydrophobicContact CG-CE2 4.26Å; F351-L448 HydrophobicContact CD2-CD1 3.85Å; F351-L448 HydrophobicContact CE2-CD1 4.35Å
352	K	98.3	Very high	97.6	Very high	113 Å²	113	48.9 Å²	48.9	49%	0.491	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142	178.2	-178.2	-176.8	176.2	-169.4	0	109.4	I354 T420 F421	K352-I354 HydrophobicContact CD-CD1 4.39Å; K352-I354 HydrophobicContact CD-CG1 4.33Å; K352-I354 HydrophobicContact CG-CG1 4.4Å; K352-T420 HydrophobicContact CB-CG2 4.02Å; K352-T420 HydrophobicContact CD-CG2 4.18Å; K352-T420 HydrophobicContact CG-CG2 4.1Å; K352-T420 CarbonylContact O-C 3.56Å; K352-T420 VanDerWaalsContact O-CA 3.3Å; K352-T420 WeakPolarHBondContact O-CA 3.26Å; K352-T420 WeakPolarHBondContact O-CG2 3.46Å; K352-F421 PolarHBondContact O-N 2.82Å
353	R	98.3	Very high	97.7	Very high	113 Å²	113	49.6 Å²	49.6	43%	0.426	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.6	172.2	-58.9	-178.6	-179	-165.3	-4.5	109.7	E308 F421	E308-R353 IonicContact OE1-NH1 2.87Å; E308-R353 IonicContact OE2-CZ 3.47Å; E308-R353 IonicContact OE2-NH1 3.43Å; E308-R353 PolarHBondContact OE2-NH1 3.07Å; E308-R353 IonicContact OE2-NH2 2.7Å; E308-R353 PolarHBondContact OE2-NH2 3.21Å; R353-F421 CarbonylContact C-O 3.57Å; R353-F421 WeakPolarHBondContact CA-O 3.3Å; R353-F421 HydrophobicContact CG-CB 4.24Å; R353-F421 HydrophobicContact CG-CD2 4.17Å
354	I	97.9	Very high	97.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.4	175.8	-63.6	-177.5	0	0	0	106.3	K352 D359 L415 T420 F421 L422 T423	K352-I354 HydrophobicContact CD-CD1 4.39Å; K352-I354 HydrophobicContact CD-CG1 4.33Å; K352-I354 HydrophobicContact CG-CG1 4.4Å; I354-D359 HydrophobicContact CG2-CB 3.54Å; I354-D359 VanDerWaalsContact CG2-CG 3.45Å; I354-D359 WeakPolarHBondContact CG2-OD2 3.34Å; I354-L415 HydrophobicContact CD1-CB 3.92Å; I354-L415 HydrophobicContact CD1-CD1 4.16Å; I354-T420 HydrophobicContact CB-CG2 4.43Å; I354-T420 HydrophobicContact CD1-CG2 3.61Å; I354-T420 HydrophobicContact CG1-CG2 3.71Å; I354-F421 PolarHBondContact N-O 2.84Å; I354-L422 HydrophobicContact CB-CD1 4.37Å; I354-L422 HydrophobicContact CG2-CD1 4.01Å; I354-L422 CarbonylContact O-C 3.6Å; I354-L422 WeakPolarHBondContact O-CA 3.23Å; I354-T423 PolarHBondContact O-N 2.92Å; I354-T423 PolarHBondContact O-OG1 3.37Å
355	N	97.9	Very high	97.6	Very high	22 Å²	22	50.8 Å²	50.8	12%	0.118	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122	177.2	-174	-82	0	0	0	110	Y357 D358 D359 C424 R439	N355-Y357 PolarHBondContact O-N 3.4Å; N355-Y357 PolarHBondContact OD1-N 3.26Å; N355-D358 HydrophobicContact CB-CB 4.13Å; N355-D358 VanDerWaalsContact CG-OD2 3.28Å; N355-D358 PolarHBondContact O-N 2.88Å; N355-D358 PolarHBondContact OD1-N 2.91Å; N355-D358 PolarHBondContact OD1-OD2 2.84Å; N355-D358 VanDerWaalsContact OD1-OD2 3.11Å; N355-D359 PolarHBondContact N-OD2 2.8Å; N355-D359 VanDerWaalsContact O-CB 3.23Å; N355-D359 WeakPolarHBondContact O-CB 3.34Å; N355-D359 PolarHBondContact O-N 3.14Å; N355-D359 VanDerWaalsContact O-OD2 3.13Å; N355-C424 WeakPolarHBondContact ND2-CB 3.26Å; N355-C424 PolarHBondContact ND2-SG 3.38Å; N355-R439 PolarHBondContact ND2-NH1 3.49Å; N355-R439 PolarHBondContact OD1-NH1 2.84Å
356	F	98.2	Very high	97.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-50.7	-53.5	-176.2	-171.3	-71.2	0	0	0	112.4	L360 L404 A408 L412 L422 T423 H425 P426 M429	F356-L360 HydrophobicContact CE1-CD2 4.05Å; F356-L360 WeakPolarHBondContact O-CB 3.24Å; F356-L360 PolarHBondContact O-N 2.7Å; F356-L404 HydrophobicContact CE1-CB 4.37Å; F356-L404 HydrophobicContact CE1-CD2 4.22Å; F356-L404 HydrophobicContact CZ-CB 4.17Å; F356-A408 HydrophobicContact CD2-CB 4.42Å; F356-A408 HydrophobicContact CE2-CB 3.5Å; F356-A408 VanDerWaalsContact CE2-CB 3.5Å; F356-A408 HydrophobicContact CZ-CB 3.66Å; F356-L412 HydrophobicContact CD2-CD1 4.45Å; F356-L412 HydrophobicContact CG-CD1 4.44Å; F356-L422 HydrophobicContact CB-CD1 4.06Å; F356-L422 HydrophobicContact CB-CG 4.43Å; F356-L422 HydrophobicContact CD2-CD1 4.2Å; F356-L422 HydrophobicContact CD2-CD2 3.81Å; F356-L422 HydrophobicContact CD2-CG 4.03Å; F356-L422 HydrophobicContact CE2-CD2 4.3Å; F356-T423 VanDerWaalsContact CB-O 3.31Å; F356-T423 WeakPolarHBondContact CB-O 3.39Å; F356-T423 PolarHBondContact N-O 2.85Å; F356-H425 AromaticContact CD2-CD2 3.35Å; F356-H425 WeakPolarHBondContact CD2-CD2 3.25Å; F356-H425 AromaticContact CD2-NE2 3.43Å; F356-H425 WeakPolarHBondContact CD2-NE2 3.11Å; F356-H425 AromaticContact CE2-CD2 3.69Å; F356-H425 AromaticContact CE2-NE2 3.9Å; F356-P426 HydrophobicContact CD1-CG 4.26Å; F356-P426 HydrophobicContact CE1-CG 4.34Å; F356-M429 HydrophobicContact CE1-SD 4.29Å; F356-M429 HydrophobicContact CE2-CE 4.11Å; F356-M429 HydrophobicContact CE2-SD 4.22Å; F356-M429 HydrophobicContact CZ-CE 4Å; F356-M429 HydrophobicContact CZ-SD 3.75Å
357	Y	97.1	Very high	97.2	Very high	28 Å²	28	59.1 Å²	59.1	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-73.2	-48.4	-173.5	176.6	-93.7	0	0	0	112.2	N355 A361 L368 P369 P371 F374	N355-Y357 PolarHBondContact O-N 3.4Å; N355-Y357 PolarHBondContact OD1-N 3.26Å; Y357-A361 WeakPolarHBondContact O-CB 3.47Å; Y357-A361 PolarHBondContact O-N 3.22Å; Y357-L368 HydrophobicContact CD2-CB 4.48Å; Y357-L368 HydrophobicContact CD2-CD1 4Å; Y357-L368 HydrophobicContact CE2-CB 3.62Å; Y357-L368 HydrophobicContact CE2-CD1 3.97Å; Y357-L368 HydrophobicContact CE2-CG 4.41Å; Y357-L368 PolarHBondContact OH-O 3.15Å; Y357-P369 WeakPolarHBondContact CE2-O 3.33Å; Y357-P369 PolarHBondContact OH-O 3.42Å; Y357-P371 HydrophobicContact CD1-CG 4.46Å; Y357-P371 HydrophobicContact CD2-CG 3.76Å; Y357-P371 HydrophobicContact CE1-CG 4.4Å; Y357-P371 HydrophobicContact CE2-CG 3.67Å; Y357-P371 HydrophobicContact CG-CG 4.15Å; Y357-F374 AromaticContact CD2-CZ 3.93Å; Y357-F374 HydrophobicContact CD2-CZ 3.93Å; Y357-F374 HydrophobicContact CE2-CE1 4.32Å; Y357-F374 AromaticContact CE2-CZ 3.82Å; Y357-F374 HydrophobicContact CE2-CZ 3.82Å
358	D	97.4	Very high	97.2	Very high	73 Å²	73	59.5 Å²	59.5	39%	0.39	31%	0.313	S	S	.	.	H	α-helix	trans	-70.5	-43.4	-174.5	-58.6	-40.8	0	0	0	111.7	N355 A361 A362 R439	N355-D358 HydrophobicContact CB-CB 4.13Å; N355-D358 VanDerWaalsContact CG-OD2 3.28Å; N355-D358 PolarHBondContact O-N 2.88Å; N355-D358 PolarHBondContact OD1-N 2.91Å; N355-D358 PolarHBondContact OD1-OD2 2.84Å; N355-D358 VanDerWaalsContact OD1-OD2 3.11Å; D358-A361 PolarHBondContact O-N 3.36Å; D358-A362 WeakPolarHBondContact O-CB 3.46Å; D358-A362 PolarHBondContact O-N 2.7Å; D358-R439 IonicContact OD1-CZ 3.75Å; D358-R439 IonicContact OD1-NH2 3.69Å; D358-R439 PolarHBondContact OD1-NH2 2.95Å; D358-R439 IonicContact OD2-CZ 2.66Å; D358-R439 VanDerWaalsContact OD2-CZ 3.29Å; D358-R439 IonicContact OD2-NH1 2.77Å; D358-R439 PolarHBondContact OD2-NH1 2.79Å; D358-R439 IonicContact OD2-NH2 2.71Å; D358-R439 PolarHBondContact OD2-NH2 3.25Å
359	D	97.8	Very high	97.1	Very high	60 Å²	60	57.8 Å²	57.8	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-72.6	-32.4	179.5	-71.5	-82.8	0	0	0	111.9	I354 N355 A362 K363 L412	I354-D359 HydrophobicContact CG2-CB 3.54Å; I354-D359 VanDerWaalsContact CG2-CG 3.45Å; I354-D359 WeakPolarHBondContact CG2-OD2 3.34Å; N355-D359 PolarHBondContact N-OD2 2.8Å; N355-D359 VanDerWaalsContact O-CB 3.23Å; N355-D359 WeakPolarHBondContact O-CB 3.34Å; N355-D359 PolarHBondContact O-N 3.14Å; N355-D359 VanDerWaalsContact O-OD2 3.13Å; D359-A362 PolarHBondContact O-N 2.76Å; D359-K363 WeakPolarHBondContact O-CB 3.46Å; D359-K363 WeakPolarHBondContact O-CG 3.02Å; D359-K363 PolarHBondContact O-N 2.73Å; D359-L412 HydrophobicContact CB-CD2 3.9Å
360	L	97.6	Very high	97	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-45.1	172.5	-176.4	59.9	0	0	0	110.9	F356 A362 K363 L364 L368 L404 L407 F411 L412	F356-L360 HydrophobicContact CE1-CD2 4.05Å; F356-L360 WeakPolarHBondContact O-CB 3.24Å; F356-L360 PolarHBondContact O-N 2.7Å; L360-A362 VanDerWaalsContact C-N 3.3Å; L360-A362 PolarHBondContact O-N 3.28Å; L360-K363 PolarHBondContact O-N 3.28Å; L360-L364 HydrophobicContact CD1-CD1 3.82Å; L360-L364 HydrophobicContact CD1-CG 4.06Å; L360-L364 HydrophobicContact CD2-CD1 4.49Å; L360-L364 HydrophobicContact CG-CD1 3.79Å; L360-L364 HydrophobicContact CG-CG 4.41Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.41Å; L360-L364 PolarHBondContact O-N 2.87Å; L360-L368 HydrophobicContact CB-CD1 4.35Å; L360-L368 HydrophobicContact CD2-CD1 4.25Å; L360-L368 HydrophobicContact CG-CD1 4.26Å; L360-L404 HydrophobicContact CD2-CD2 4.11Å; L360-L407 HydrophobicContact CD1-CB 4.11Å; L360-L407 HydrophobicContact CD2-CB 4.25Å; L360-F411 HydrophobicContact CD1-CB 4.18Å; L360-F411 HydrophobicContact CD1-CD2 4.29Å; L360-L412 HydrophobicContact CB-CD1 4.17Å
361	A	97.2	Very high	96.9	Very high	20 Å²	20	55.8 Å²	55.8	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-42.9	175.1	0	0	0	0	0	111.7	Y357 D358 N365 T366 L368	Y357-A361 WeakPolarHBondContact O-CB 3.47Å; Y357-A361 PolarHBondContact O-N 3.22Å; D358-A361 PolarHBondContact O-N 3.36Å; A361-N365 PolarHBondContact O-N 2.97Å; A361-N365 VanDerWaalsContact O-N 3.1Å; A361-T366 PolarHBondContact O-N 2.94Å; A361-T366 VanDerWaalsContact O-N 3.17Å; A361-L368 HydrophobicContact CB-CD1 3.95Å; A361-L368 HydrophobicContact CB-CG 3.82Å
362	A	97.2	Very high	96.7	Very high	72 Å²	72	60.6 Å²	60.6	60%	0.595	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-43.7	177.2	0	0	0	0	0	112.4	D358 D359 L360 N365	D358-A362 WeakPolarHBondContact O-CB 3.46Å; D358-A362 PolarHBondContact O-N 2.7Å; D359-A362 PolarHBondContact O-N 2.76Å; L360-A362 VanDerWaalsContact C-N 3.3Å; L360-A362 PolarHBondContact O-N 3.28Å; A362-N365 PolarHBondContact O-N 2.89Å
363	K	96.4	Very high	96.6	Very high	105 Å²	105	57.4 Å²	57.4	46%	0.457	30%	0.297	S	S	.	.	H	α-helix	trans	-66.7	-38.5	178.5	-77.5	-63.3	-168.1	179.1	0	113.4	D359 L360 N365 F411 L412 L415	D359-K363 WeakPolarHBondContact O-CB 3.46Å; D359-K363 WeakPolarHBondContact O-CG 3.02Å; D359-K363 PolarHBondContact O-N 2.73Å; L360-K363 PolarHBondContact O-N 3.28Å; K363-N365 PolarHBondContact O-N 3.28Å; K363-F411 HydrophobicContact CB-CB 4.04Å; K363-F411 HydrophobicContact CB-CD1 4.41Å; K363-F411 HydrophobicContact CB-CG 4.42Å; K363-F411 HydrophobicContact CG-CB 4.39Å; K363-L412 HydrophobicContact CG-CD2 4.23Å; K363-L415 VanDerWaalsContact CE-CD1 3.44Å
364	L	95.1	Very high	96.5	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.7	175.3	-67.3	172.4	0	0	0	113.1	L360 T366 L368 I386 L407 F411	L360-L364 HydrophobicContact CD1-CD1 3.82Å; L360-L364 HydrophobicContact CD1-CG 4.06Å; L360-L364 HydrophobicContact CD2-CD1 4.49Å; L360-L364 HydrophobicContact CG-CD1 3.79Å; L360-L364 HydrophobicContact CG-CG 4.41Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.41Å; L360-L364 PolarHBondContact O-N 2.87Å; L364-T366 PolarHBondContact O-N 3.35Å; L364-T366 VanDerWaalsContact O-N 3.12Å; L364-T366 PolarHBondContact O-OG1 3.26Å; L364-L368 HydrophobicContact CD1-CD2 4.03Å; L364-I386 HydrophobicContact CD1-CG2 3.93Å; L364-I386 HydrophobicContact CD2-CG2 3.85Å; L364-L407 HydrophobicContact CD2-CD2 4.34Å; L364-F411 HydrophobicContact CD2-CD2 3.84Å; L364-F411 HydrophobicContact CD2-CE2 3.48Å; L364-F411 VanDerWaalsContact CD2-CE2 3.48Å; L364-F411 HydrophobicContact CD2-CZ 3.9Å
365	N	94.8	Very high	96.1	Very high	151 Å²	151	58.6 Å²	58.6	81%	0.807	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	39.6	-172.5	-169.6	40.1	0	0	0	112.2	A361 A362 K363	A361-N365 PolarHBondContact O-N 2.97Å; A361-N365 VanDerWaalsContact O-N 3.1Å; A362-N365 PolarHBondContact O-N 2.89Å; K363-N365 PolarHBondContact O-N 3.28Å
366	T	94.1	Very high	95.9	Very high	52 Å²	52	59.7 Å²	59.7	32%	0.319	32%	0.315	S	S	.	.	S	Bend	trans	-142.2	136.7	-171.4	-61	0	0	0	0	109.7	A361 L364 L368 F382 I386	A361-T366 PolarHBondContact O-N 2.94Å; A361-T366 VanDerWaalsContact O-N 3.17Å; L364-T366 PolarHBondContact O-N 3.35Å; L364-T366 VanDerWaalsContact O-N 3.12Å; L364-T366 PolarHBondContact O-OG1 3.26Å; T366-L368 PolarHBondContact O-N 2.97Å; T366-F382 HydrophobicContact CG2-CE2 4.48Å; T366-F382 HydrophobicContact CG2-CZ 3.89Å; T366-I386 HydrophobicContact CG2-CD1 4.39Å
367	K	94.8	Very high	95.8	Very high	187 Å²	187	63.8 Å²	63.8	81%	0.813	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-72.3	116.1	172	-174	176.5	-179.4	-179.4	0	109.5
368	L	96.5	Very high	95.7	Very high	8 Å²	8	69.2 Å²	69.2	4%	0.042	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-73.9	155.1	175.7	-58.3	-177.1	0	0	0	111.2	Y357 L360 A361 L364 T366 F382 F383	Y357-L368 HydrophobicContact CD2-CB 4.48Å; Y357-L368 HydrophobicContact CD2-CD1 4Å; Y357-L368 HydrophobicContact CE2-CB 3.62Å; Y357-L368 HydrophobicContact CE2-CD1 3.97Å; Y357-L368 HydrophobicContact CE2-CG 4.41Å; Y357-L368 PolarHBondContact OH-O 3.15Å; L360-L368 HydrophobicContact CB-CD1 4.35Å; L360-L368 HydrophobicContact CD2-CD1 4.25Å; L360-L368 HydrophobicContact CG-CD1 4.26Å; A361-L368 HydrophobicContact CB-CD1 3.95Å; A361-L368 HydrophobicContact CB-CG 3.82Å; L364-L368 HydrophobicContact CD1-CD2 4.03Å; T366-L368 PolarHBondContact O-N 2.97Å; L368-F382 HydrophobicContact CD2-CE1 3.83Å; L368-F382 HydrophobicContact CD2-CZ 4.26Å; L368-F383 HydrophobicContact CD2-CE1 3.98Å
369	P	96.7	Very high	95.7	Very high	26 Å²	26	66 Å²	66	17%	0.169	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-54.9	159	165.5	-23.7	34.6	0	0	0	111.3	Y357 F374 T379 F382	Y357-P369 WeakPolarHBondContact CE2-O 3.33Å; Y357-P369 PolarHBondContact OH-O 3.42Å; P369-F374 HydrophobicContact CB-CE1 4.2Å; P369-F374 WeakPolarHBondContact O-CE1 3.42Å; P369-T379 HydrophobicContact CB-CG2 4.13Å; P369-T379 HydrophobicContact CG-CG2 4.06Å; P369-F382 VanDerWaalsContact CD-CE1 3.49Å; P369-F382 HydrophobicContact CG-CB 4.28Å; P369-F382 HydrophobicContact CG-CD1 3.79Å; P369-F382 HydrophobicContact CG-CD2 4.27Å; P369-F382 HydrophobicContact CG-CE1 4.2Å; P369-F382 HydrophobicContact CG-CG 3.85Å
370	L	97	Very high	95.6	Very high	98 Å²	98	66.1 Å²	66.1	51%	0.513	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-64.1	139.5	177	-66	173.7	0	0	0	110	E372 T373 F374	L370-E372 HydrophobicContact CB-CG 4.11Å; L370-E372 PolarHBondContact O-N 2.68Å; L370-T373 HydrophobicContact CB-CG2 4.35Å; L370-T373 PolarHBondContact O-N 2.74Å; L370-T373 PolarHBondContact O-OG1 2.78Å; L370-F374 VanDerWaalsContact O-CD1 3.26Å; L370-F374 WeakPolarHBondContact O-CD1 3.3Å; L370-F374 WeakPolarHBondContact O-CE1 3.32Å
371	P	96.5	Very high	95.5	Very high	17 Å²	17	70.2 Å²	70.2	11%	0.11	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-56.6	-34.7	-177.4	-27.1	34.1	0	0	0	114.6	Y357 T373 F374 L442	Y357-P371 HydrophobicContact CD1-CG 4.46Å; Y357-P371 HydrophobicContact CD2-CG 3.76Å; Y357-P371 HydrophobicContact CE1-CG 4.4Å; Y357-P371 HydrophobicContact CE2-CG 3.67Å; Y357-P371 HydrophobicContact CG-CG 4.15Å; P371-T373 PolarHBondContact O-N 3.04Å; P371-T373 VanDerWaalsContact O-N 3.17Å; P371-F374 WeakPolarHBondContact O-CB 3.45Å; P371-F374 WeakPolarHBondContact O-CG 3.49Å; P371-F374 PolarHBondContact O-N 2.91Å; P371-F374 VanDerWaalsContact O-N 3.17Å; P371-L442 HydrophobicContact CB-CD2 3.53Å; P371-L442 HydrophobicContact CB-CG 3.9Å; P371-L442 HydrophobicContact CG-CD1 4.39Å; P371-L442 HydrophobicContact CG-CD2 3.66Å; P371-L442 HydrophobicContact CG-CG 3.9Å
372	E	94.8	Very high	95.6	Very high	111 Å²	111	72 Å²	72	52%	0.519	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-63.1	-17.3	176.7	66.1	-171.5	-179.3	0	0	113.6	L370	L370-E372 HydrophobicContact CB-CG 4.11Å; L370-E372 PolarHBondContact O-N 2.68Å
373	T	96.1	Very high	95.6	Very high	47 Å²	47	68.6 Å²	68.6	29%	0.288	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-97.1	5.9	178.7	70.1	0	0	0	0	113.2	L370 P371 E375 T376 T379	L370-T373 HydrophobicContact CB-CG2 4.35Å; L370-T373 PolarHBondContact O-N 2.74Å; L370-T373 PolarHBondContact O-OG1 2.78Å; P371-T373 PolarHBondContact O-N 3.04Å; P371-T373 VanDerWaalsContact O-N 3.17Å; T373-E375 PolarHBondContact O-N 3.18Å; T373-T376 WeakPolarHBondContact O-CB 3.37Å; T373-T376 WeakPolarHBondContact O-CG2 3.4Å; T373-T376 PolarHBondContact O-N 3.46Å; T373-T376 PolarHBondContact O-OG1 2.74Å; T373-T379 WeakPolarHBondContact O-CB 3.23Å; T373-T379 PolarHBondContact O-OG1 3.02Å; T373-T379 PolarHBondContact OG1-OG1 2.98Å
374	F	95.3	Very high	95.6	Very high	5 Å²	5	66 Å²	66	2%	0.022	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.1	-171.3	-81.1	18.5	0	0	0	114.8	Y357 P369 L370 P371 T376 T379 F383 T400 L404 P426 I428	Y357-F374 AromaticContact CD2-CZ 3.93Å; Y357-F374 HydrophobicContact CD2-CZ 3.93Å; Y357-F374 HydrophobicContact CE2-CE1 4.32Å; Y357-F374 AromaticContact CE2-CZ 3.82Å; Y357-F374 HydrophobicContact CE2-CZ 3.82Å; P369-F374 HydrophobicContact CB-CE1 4.2Å; P369-F374 WeakPolarHBondContact O-CE1 3.42Å; L370-F374 VanDerWaalsContact O-CD1 3.26Å; L370-F374 WeakPolarHBondContact O-CD1 3.3Å; L370-F374 WeakPolarHBondContact O-CE1 3.32Å; P371-F374 WeakPolarHBondContact O-CB 3.45Å; P371-F374 WeakPolarHBondContact O-CG 3.49Å; P371-F374 PolarHBondContact O-N 2.91Å; P371-F374 VanDerWaalsContact O-N 3.17Å; F374-T376 VanDerWaalsContact C-N 3.28Å; F374-T379 HydrophobicContact CB-CG2 4.37Å; F374-T379 HydrophobicContact CD1-CG2 3.61Å; F374-T379 HydrophobicContact CE1-CG2 4.11Å; F374-T379 HydrophobicContact CG-CG2 4.13Å; F374-F383 HydrophobicContact CD1-CE2 4.26Å; F374-F383 HydrophobicContact CD2-CE2 4.37Å; F374-F383 AromaticContact CE1-CE2 3.95Å; F374-F383 HydrophobicContact CE1-CE2 3.95Å; F374-F383 AromaticContact CE1-CZ 3.98Å; F374-F383 HydrophobicContact CE1-CZ 3.98Å; F374-F383 HydrophobicContact CE2-CE2 4.1Å; F374-F383 HydrophobicContact CE2-CZ 4.04Å; F374-F383 HydrophobicContact CG-CE2 4.45Å; F374-F383 AromaticContact CZ-CE2 3.88Å; F374-F383 HydrophobicContact CZ-CE2 3.88Å; F374-F383 AromaticContact CZ-CZ 3.6Å; F374-F383 HydrophobicContact CZ-CZ 3.6Å; F374-T400 HydrophobicContact CB-CG2 4.28Å; F374-T400 WeakPolarHBondContact O-CG2 3.39Å; F374-T400 PolarHBondContact O-OG1 3.5Å; F374-L404 HydrophobicContact CD2-CD1 3.66Å; F374-L404 HydrophobicContact CE2-CD1 3.71Å; F374-L404 HydrophobicContact CE2-CD2 4.19Å; F374-P426 HydrophobicContact CD2-CB 3.75Å; F374-P426 HydrophobicContact CD2-CG 4Å; F374-P426 HydrophobicContact CE2-CB 3.98Å; F374-P426 HydrophobicContact CE2-CG 3.69Å; F374-I428 HydrophobicContact CB-CG2 4.19Å; F374-I428 HydrophobicContact CD2-CG2 4.29Å; F374-I428 WeakPolarHBondContact O-CD1 3.16Å
375	E	90.4	Very high	95.6	Very high	135 Å²	135	71.9 Å²	71.9	63%	0.631	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.5	173.5	62	-178.8	-151.7	0	0	114.1	T373	T373-E375 PolarHBondContact O-N 3.18Å
376	T	94.2	Very high	95.7	Very high	45 Å²	45	65 Å²	65	28%	0.276	31%	0.314	S	S	.	.	S	Bend	trans	-76.4	147.2	-176.1	64.3	0	0	0	0	111.9	T373 F374 E378 T379 R380	T373-T376 WeakPolarHBondContact O-CB 3.37Å; T373-T376 WeakPolarHBondContact O-CG2 3.4Å; T373-T376 PolarHBondContact O-N 3.46Å; T373-T376 PolarHBondContact O-OG1 2.74Å; F374-T376 VanDerWaalsContact C-N 3.28Å; T376-E378 WeakPolarHBondContact CB-OE2 3.33Å; T376-E378 PolarHBondContact O-N 3.41Å; T376-T379 PolarHBondContact O-N 2.75Å; T376-T379 VanDerWaalsContact O-N 3.16Å; T376-T379 PolarHBondContact OG1-N 2.93Å; T376-T379 PolarHBondContact OG1-OG1 3Å; T376-T379 VanDerWaalsContact OG1-OG1 3.08Å; T376-R380 PolarHBondContact O-N 2.84Å; T376-R380 VanDerWaalsContact O-N 3.1Å
377	E	94.3	Very high	95.8	Very high	90 Å²	90	62.7 Å²	62.7	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-33.1	176.4	177.7	57.8	-160.5	0	0	111.2	T379 R380 Q381	E377-T379 VanDerWaalsContact C-N 3.33Å; E377-T379 PolarHBondContact O-N 3Å; E377-R380 PolarHBondContact O-N 3.02Å; E377-R380 IonicContact OE1-CZ 2.8Å; E377-R380 IonicContact OE1-NE 3.74Å; E377-R380 PolarHBondContact OE1-NE 2.94Å; E377-R380 IonicContact OE1-NH2 3.9Å; E377-R380 PolarHBondContact OE1-NH2 3.1Å; E377-R380 IonicContact OE2-CZ 3.63Å; E377-R380 IonicContact OE2-NE 3.42Å; E377-R380 PolarHBondContact OE2-NE 3.32Å; E377-R380 IonicContact OE2-NH2 3.38Å; E377-R380 PolarHBondContact OE2-NH2 2.69Å; E377-Q381 HydrophobicContact CG-CG 4.41Å; E377-Q381 VanDerWaalsContact O-CG 3.31Å; E377-Q381 WeakPolarHBondContact O-CG 3.19Å; E377-Q381 PolarHBondContact O-N 3.1Å; E377-Q381 PolarHBondContact OE1-NE2 2.98Å
378	E	96.3	Very high	95.8	Very high	142 Å²	142	57.6 Å²	57.6	66%	0.664	29%	0.292	S	S	*	.	H	α-helix	trans	-58.5	-44.4	175	-66.6	76	-168.3	0	0	111.6	T376 Q381 F382	T376-E378 WeakPolarHBondContact CB-OE2 3.33Å; T376-E378 PolarHBondContact O-N 3.41Å; E378-Q381 PolarHBondContact O-N 3Å; E378-F382 PolarHBondContact O-N 2.91Å
379	T	96.3	Very high	95.8	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-38.9	176.6	-61.9	0	0	0	0	111.6	P369 T373 F374 T376 E377 Q381 F382 F383 T400	P369-T379 HydrophobicContact CB-CG2 4.13Å; P369-T379 HydrophobicContact CG-CG2 4.06Å; T373-T379 WeakPolarHBondContact O-CB 3.23Å; T373-T379 PolarHBondContact O-OG1 3.02Å; T373-T379 PolarHBondContact OG1-OG1 2.98Å; F374-T379 HydrophobicContact CB-CG2 4.37Å; F374-T379 HydrophobicContact CD1-CG2 3.61Å; F374-T379 HydrophobicContact CE1-CG2 4.11Å; F374-T379 HydrophobicContact CG-CG2 4.13Å; T376-T379 PolarHBondContact O-N 2.75Å; T376-T379 VanDerWaalsContact O-N 3.16Å; T376-T379 PolarHBondContact OG1-N 2.93Å; T376-T379 PolarHBondContact OG1-OG1 3Å; T376-T379 VanDerWaalsContact OG1-OG1 3.08Å; E377-T379 VanDerWaalsContact C-N 3.33Å; E377-T379 PolarHBondContact O-N 3Å; T379-Q381 VanDerWaalsContact C-N 3.34Å; T379-Q381 PolarHBondContact O-N 2.96Å; T379-F382 WeakPolarHBondContact O-CB 3.22Å; T379-F382 PolarHBondContact O-N 2.96Å; T379-F383 HydrophobicContact CG2-CD2 3.61Å; T379-F383 HydrophobicContact CG2-CE2 3.31Å; T379-F383 HydrophobicContact CG2-CZ 4.41Å; T379-F383 VanDerWaalsContact O-CD2 3.28Å; T379-F383 WeakPolarHBondContact O-CD2 3.26Å; T379-F383 PolarHBondContact O-N 3.47Å; T379-T400 HydrophobicContact CG2-CG2 4.5Å
380	R	95.4	Very high	95.7	Very high	62 Å²	62	65.7 Å²	65.7	23%	0.234	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-45.1	175	-164.1	-172.9	72.2	82.1	1	111.6	T376 E377 F382 F383 L384 K398 T400 L403	T376-R380 PolarHBondContact O-N 2.84Å; T376-R380 VanDerWaalsContact O-N 3.1Å; E377-R380 PolarHBondContact O-N 3.02Å; E377-R380 IonicContact OE1-CZ 2.8Å; E377-R380 IonicContact OE1-NE 3.74Å; E377-R380 PolarHBondContact OE1-NE 2.94Å; E377-R380 IonicContact OE1-NH2 3.9Å; E377-R380 PolarHBondContact OE1-NH2 3.1Å; E377-R380 IonicContact OE2-CZ 3.63Å; E377-R380 IonicContact OE2-NE 3.42Å; E377-R380 PolarHBondContact OE2-NE 3.32Å; E377-R380 IonicContact OE2-NH2 3.38Å; E377-R380 PolarHBondContact OE2-NH2 2.69Å; R380-F382 VanDerWaalsContact C-N 3.32Å; R380-F382 PolarHBondContact O-N 3.3Å; R380-F383 PolarHBondContact O-N 2.94Å; R380-L384 WeakPolarHBondContact O-CB 3.08Å; R380-L384 PolarHBondContact O-N 3.49Å; R380-K398 PolarHBondContact NH1-O 3.32Å; R380-K398 VanDerWaalsContact NH1-O 3.15Å; R380-T400 WeakPolarHBondContact CB-OG1 3.27Å; R380-L403 HydrophobicContact CG-CD1 4.39Å
381	Q	97.2	Very high	95.6	Very high	86 Å²	86	64.2 Å²	64.2	40%	0.402	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-37	175.7	-70.1	-63.8	-27.7	0	0	112.4	E377 E378 T379 L384 K385	E377-Q381 HydrophobicContact CG-CG 4.41Å; E377-Q381 VanDerWaalsContact O-CG 3.31Å; E377-Q381 WeakPolarHBondContact O-CG 3.19Å; E377-Q381 PolarHBondContact O-N 3.1Å; E377-Q381 PolarHBondContact OE1-NE2 2.98Å; E378-Q381 PolarHBondContact O-N 3Å; T379-Q381 VanDerWaalsContact C-N 3.34Å; T379-Q381 PolarHBondContact O-N 2.96Å; Q381-L384 PolarHBondContact O-N 3.38Å; Q381-K385 PolarHBondContact O-N 2.86Å
382	F	97.6	Very high	95.5	Very high	58 Å²	58	64.7 Å²	64.7	25%	0.254	34%	0.338	S	S	.	.	H	α-helix	trans	-58.2	-53.2	172.7	176.2	-85.5	0	0	0	111	T366 L368 P369 E378 T379 R380 L384 K385 I386	T366-F382 HydrophobicContact CG2-CE2 4.48Å; T366-F382 HydrophobicContact CG2-CZ 3.89Å; L368-F382 HydrophobicContact CD2-CE1 3.83Å; L368-F382 HydrophobicContact CD2-CZ 4.26Å; P369-F382 VanDerWaalsContact CD-CE1 3.49Å; P369-F382 HydrophobicContact CG-CB 4.28Å; P369-F382 HydrophobicContact CG-CD1 3.79Å; P369-F382 HydrophobicContact CG-CD2 4.27Å; P369-F382 HydrophobicContact CG-CE1 4.2Å; P369-F382 HydrophobicContact CG-CG 3.85Å; E378-F382 PolarHBondContact O-N 2.91Å; T379-F382 WeakPolarHBondContact O-CB 3.22Å; T379-F382 PolarHBondContact O-N 2.96Å; R380-F382 VanDerWaalsContact C-N 3.32Å; R380-F382 PolarHBondContact O-N 3.3Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 3.45Å; F382-K385 WeakPolarHBondContact O-CB 3.38Å; F382-K385 PolarHBondContact O-N 3.02Å; F382-I386 HydrophobicContact CD1-CG1 4.08Å; F382-I386 HydrophobicContact CE1-CD1 4.26Å; F382-I386 HydrophobicContact CE1-CG1 3.65Å; F382-I386 HydrophobicContact CZ-CD1 4.07Å; F382-I386 HydrophobicContact CZ-CG1 3.97Å; F382-I386 WeakPolarHBondContact O-CG1 3.4Å; F382-I386 PolarHBondContact O-N 3.33Å
383	F	97.1	Very high	95.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-33.3	-179.7	-72.2	-61.3	0	0	0	113.1	L368 F374 T379 R380 K385 I386 A387 T400 L403 L404 L407	L368-F383 HydrophobicContact CD2-CE1 3.98Å; F374-F383 HydrophobicContact CD1-CE2 4.26Å; F374-F383 HydrophobicContact CD2-CE2 4.37Å; F374-F383 AromaticContact CE1-CE2 3.95Å; F374-F383 HydrophobicContact CE1-CE2 3.95Å; F374-F383 AromaticContact CE1-CZ 3.98Å; F374-F383 HydrophobicContact CE1-CZ 3.98Å; F374-F383 HydrophobicContact CE2-CE2 4.1Å; F374-F383 HydrophobicContact CE2-CZ 4.04Å; F374-F383 HydrophobicContact CG-CE2 4.45Å; F374-F383 AromaticContact CZ-CE2 3.88Å; F374-F383 HydrophobicContact CZ-CE2 3.88Å; F374-F383 AromaticContact CZ-CZ 3.6Å; F374-F383 HydrophobicContact CZ-CZ 3.6Å; T379-F383 HydrophobicContact CG2-CD2 3.61Å; T379-F383 HydrophobicContact CG2-CE2 3.31Å; T379-F383 HydrophobicContact CG2-CZ 4.41Å; T379-F383 VanDerWaalsContact O-CD2 3.28Å; T379-F383 WeakPolarHBondContact O-CD2 3.26Å; T379-F383 PolarHBondContact O-N 3.47Å; R380-F383 PolarHBondContact O-N 2.94Å; F383-K385 VanDerWaalsContact C-N 3.3Å; F383-K385 PolarHBondContact O-N 2.68Å; F383-I386 PolarHBondContact O-N 3.31Å; F383-A387 WeakPolarHBondContact O-CB 3.46Å; F383-A387 PolarHBondContact O-N 3.46Å; F383-T400 HydrophobicContact CD2-CG2 3.8Å; F383-T400 HydrophobicContact CE2-CG2 4.05Å; F383-L403 HydrophobicContact CB-CB 4.08Å; F383-L403 HydrophobicContact CB-CD1 4.03Å; F383-L404 HydrophobicContact CD1-CD2 4.05Å; F383-L404 HydrophobicContact CD2-CD2 4.41Å; F383-L404 HydrophobicContact CE1-CD2 3.57Å; F383-L404 HydrophobicContact CE2-CD2 3.94Å; F383-L404 HydrophobicContact CE2-CG 4.34Å; F383-L404 HydrophobicContact CG-CD2 4.46Å; F383-L404 HydrophobicContact CZ-CD2 3.53Å; F383-L404 HydrophobicContact CZ-CG 4.41Å; F383-L407 HydrophobicContact CD1-CD1 3.67Å; F383-L407 HydrophobicContact CE1-CD1 4.34Å; F383-L407 HydrophobicContact CG-CD1 4.48Å
384	L	96.4	Very high	95.2	Very high	50 Å²	50	63.7 Å²	63.7	26%	0.262	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-43.8	172.7	-172.3	74.7	0	0	0	111.1	R380 Q381 F382 A388 K398 L403	R380-L384 WeakPolarHBondContact O-CB 3.08Å; R380-L384 PolarHBondContact O-N 3.49Å; Q381-L384 PolarHBondContact O-N 3.38Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 3.45Å; L384-A388 WeakPolarHBondContact O-CB 3.48Å; L384-A388 PolarHBondContact O-N 3.48Å; L384-K398 HydrophobicContact CD1-CB 4.25Å; L384-K398 HydrophobicContact CD1-CD 3.55Å; L384-K398 HydrophobicContact CD1-CG 4.49Å; L384-L403 HydrophobicContact CB-CD1 4.36Å
385	K	96.9	Very high	95	Very high	134 Å²	134	66.8 Å²	66.8	58%	0.583	36%	0.355	S	S	*	.	H	α-helix	trans	-66.2	-43.2	176.5	-176.4	-179.8	177	-176.8	0	111.8	Q381 F382 F383 A388 Q389	Q381-K385 PolarHBondContact O-N 2.86Å; F382-K385 WeakPolarHBondContact O-CB 3.38Å; F382-K385 PolarHBondContact O-N 3.02Å; F383-K385 VanDerWaalsContact C-N 3.3Å; F383-K385 PolarHBondContact O-N 2.68Å; K385-A388 PolarHBondContact O-N 3.33Å; K385-Q389 HydrophobicContact CG-CG 4.47Å; K385-Q389 WeakPolarHBondContact O-CB 3.08Å; K385-Q389 VanDerWaalsContact O-CG 3.22Å; K385-Q389 WeakPolarHBondContact O-CG 3.39Å; K385-Q389 PolarHBondContact O-N 3.5Å
386	I	96.5	Very high	95	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-45.6	177.3	-65.5	-63.7	0	0	0	111	L364 T366 F382 F383 Q389 H390 L407	L364-I386 HydrophobicContact CD1-CG2 3.93Å; L364-I386 HydrophobicContact CD2-CG2 3.85Å; T366-I386 HydrophobicContact CG2-CD1 4.39Å; F382-I386 HydrophobicContact CD1-CG1 4.08Å; F382-I386 HydrophobicContact CE1-CD1 4.26Å; F382-I386 HydrophobicContact CE1-CG1 3.65Å; F382-I386 HydrophobicContact CZ-CD1 4.07Å; F382-I386 HydrophobicContact CZ-CG1 3.97Å; F382-I386 WeakPolarHBondContact O-CG1 3.4Å; F382-I386 PolarHBondContact O-N 3.33Å; F383-I386 PolarHBondContact O-N 3.31Å; I386-Q389 PolarHBondContact O-N 3.11Å; I386-H390 PolarHBondContact O-N 3.14Å; I386-H390 PolarHBondContact O-ND1 2.93Å; I386-L407 HydrophobicContact CG2-CD1 4.36Å; I386-L407 HydrophobicContact CG2-CD2 3.79Å
387	A	95.8	Very high	94.8	Very high	4 Å²	4	65.7 Å²	65.7	3%	0.033	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-46.7	177.1	0	0	0	0	0	111.2	F383 Q389 H390 G391 I392 L403	F383-A387 WeakPolarHBondContact O-CB 3.46Å; F383-A387 PolarHBondContact O-N 3.46Å; A387-Q389 VanDerWaalsContact C-N 3.35Å; A387-Q389 PolarHBondContact O-N 2.97Å; A387-H390 CarbonylContact O-C 3.59Å; A387-H390 PolarHBondContact O-N 3.01Å; A387-G391 PolarHBondContact O-N 2.65Å; A387-I392 HydrophobicContact CB-CB 4.22Å; A387-I392 PolarHBondContact O-N 3.17Å; A387-L403 HydrophobicContact CB-CD2 3.96Å
388	A	95.4	Very high	94.7	Very high	79 Å²	79	64.5 Å²	64.5	65%	0.653	34%	0.343	S	S	*	.	H	α-helix	trans	-62.2	-39	176.7	0	0	0	0	0	112.9	L384 K385 H390 G391	L384-A388 WeakPolarHBondContact O-CB 3.48Å; L384-A388 PolarHBondContact O-N 3.48Å; K385-A388 PolarHBondContact O-N 3.33Å; A388-H390 VanDerWaalsContact C-N 3.28Å; A388-H390 PolarHBondContact O-N 3.01Å; A388-G391 PolarHBondContact O-N 2.99Å
389	Q	95.7	Very high	94.5	Very high	120 Å²	120	58.8 Å²	58.8	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-63.4	-32.5	177.4	-78.6	174.7	-19.6	0	0	113.1	K385 I386 A387	K385-Q389 HydrophobicContact CG-CG 4.47Å; K385-Q389 WeakPolarHBondContact O-CB 3.08Å; K385-Q389 VanDerWaalsContact O-CG 3.22Å; K385-Q389 WeakPolarHBondContact O-CG 3.39Å; K385-Q389 PolarHBondContact O-N 3.5Å; I386-Q389 PolarHBondContact O-N 3.11Å; A387-Q389 VanDerWaalsContact C-N 3.35Å; A387-Q389 PolarHBondContact O-N 2.97Å
390	H	95.3	Very high	94.3	Very high	84 Å²	84	59 Å²	59	39%	0.389	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	4.1	179.9	-64.1	88.9	0	0	0	113.3	I386 A387 A388 I392 F411	I386-H390 PolarHBondContact O-N 3.14Å; I386-H390 PolarHBondContact O-ND1 2.93Å; A387-H390 CarbonylContact O-C 3.59Å; A387-H390 PolarHBondContact O-N 3.01Å; A388-H390 VanDerWaalsContact C-N 3.28Å; A388-H390 PolarHBondContact O-N 3.01Å; H390-I392 VanDerWaalsContact C-N 3.28Å; H390-I392 HydrophobicContact CB-CD1 3.97Å; H390-I392 HydrophobicContact CB-CG1 4.07Å; H390-I392 PolarHBondContact O-N 3.48Å; H390-F411 HydrophobicContact CB-CE2 4.45Å; H390-F411 HydrophobicContact CB-CZ 4.11Å; H390-F411 AromaticContact CD2-CZ 3.52Å; H390-F411 AromaticContact CG-CZ 3.8Å
391	G	95.1	Very high	94.2	Very high	68 Å²	68	57.1 Å²	57.1	70%	0.701	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	25.3	179.9	0	0	0	0	0	114.2	A387 A388	A387-G391 PolarHBondContact O-N 2.65Å; A388-G391 PolarHBondContact O-N 2.99Å
392	I	94.1	Very high	94	Very high	26 Å²	26	55.5 Å²	55.5	13%	0.133	31%	0.307	C	S	.	.			trans	-80.7	121.9	-178.4	-65.7	170.9	0	0	0	109.5	A387 H390 K406 L407 E410 F411	A387-I392 HydrophobicContact CB-CB 4.22Å; A387-I392 PolarHBondContact O-N 3.17Å; H390-I392 VanDerWaalsContact C-N 3.28Å; H390-I392 HydrophobicContact CB-CD1 3.97Å; H390-I392 HydrophobicContact CB-CG1 4.07Å; H390-I392 PolarHBondContact O-N 3.48Å; I392-K406 HydrophobicContact CG2-CB 3.64Å; I392-L407 HydrophobicContact CD1-CD2 3.47Å; I392-L407 VanDerWaalsContact CD1-CD2 3.47Å; I392-L407 HydrophobicContact CD1-CG 4.31Å; I392-E410 HydrophobicContact CD1-CB 4.07Å; I392-E410 HydrophobicContact CD1-CG 4.18Å; I392-E410 HydrophobicContact CG1-CB 4.48Å; I392-E410 HydrophobicContact CG1-CG 4.34Å; I392-F411 HydrophobicContact CD1-CD2 4.48Å; I392-F411 HydrophobicContact CD1-CE2 3.72Å; I392-F411 HydrophobicContact CD1-CZ 4.47Å
393	D	91.9	Very high	93.9	Very high	132 Å²	132	52.8 Å²	52.8	71%	0.706	30%	0.295	S	S	*	.			trans	-82.3	128.7	176	-169.2	23.1	0	0	0	111.1
394	C	92.6	Very high	93.9	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.034	30%	0.295	C	S	.	.			trans	-136.1	105.2	177.7	-175.8	0	0	0	0	108.5	K398 L403 K406	C394-K398 HydrophobicContact CB-CG 4.36Å; C394-K398 WeakPolarHBondContact O-CE 3.39Å; C394-K398 WeakPolarHBondContact O-CG 3.48Å; C394-L403 HydrophobicContact CB-CD2 3.97Å; C394-K406 HydrophobicContact CB-CG 4.22Å
395	P	90.3	Very high	93.8	Very high	71 Å²	71	53.6 Å²	53.6	46%	0.461	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-62.9	146.7	178.2	-23.2	33.7	0	0	0	112.2	R402	P395-R402 PolarHBondContact O-NH2 3.02Å
396	E	90.6	Very high	93.8	Very high	130 Å²	130	51 Å²	51	61%	0.607	29%	0.288	S	S	*	.	S	Bend	trans	-59.1	145.4	176.9	-64.3	-59.7	156.8	0	0	111.9	K398	E396-K398 WeakPolarHBondContact OE1-CD 3.46Å; E396-K398 WeakPolarHBondContact OE1-CE 3.45Å; E396-K398 IonicContact OE1-NZ 2.77Å; E396-K398 PolarHBondContact OE1-NZ 3.34Å; E396-K398 PolarHBondContact OE2-N 3.45Å
397	P	91	Very high	93.8	Very high	26 Å²	26	50.6 Å²	50.6	17%	0.169	29%	0.286	C	S	.	.	S	Bend	cis	-76.7	136.5	-1.6	30.7	-33.6	0	0	0	112.9	T399 R402 D483	P397-T399 HydrophobicContact CB-CG2 4.16Å; P397-T399 HydrophobicContact CG-CG2 4.24Å; P397-T399 PolarHBondContact O-N 3.01Å; P397-R402 WeakPolarHBondContact O-CD 3.32Å; P397-R402 PolarHBondContact O-NE 2.82Å; P397-D483 HydrophobicContact CG-CB 3.85Å
398	K	91.2	Very high	93.9	Very high	66 Å²	66	50.6 Å²	50.6	29%	0.287	29%	0.286	S	S	.	.			trans	-82.8	64.2	175.8	-67.1	174.1	-172.4	147	0	112.3	R380 L384 C394 E396 L403	R380-K398 PolarHBondContact NH1-O 3.32Å; R380-K398 VanDerWaalsContact NH1-O 3.15Å; L384-K398 HydrophobicContact CD1-CB 4.25Å; L384-K398 HydrophobicContact CD1-CD 3.55Å; L384-K398 HydrophobicContact CD1-CG 4.49Å; C394-K398 HydrophobicContact CB-CG 4.36Å; C394-K398 WeakPolarHBondContact O-CE 3.39Å; C394-K398 WeakPolarHBondContact O-CG 3.48Å; E396-K398 WeakPolarHBondContact OE1-CD 3.46Å; E396-K398 WeakPolarHBondContact OE1-CE 3.45Å; E396-K398 IonicContact OE1-NZ 2.77Å; E396-K398 PolarHBondContact OE1-NZ 3.34Å; E396-K398 PolarHBondContact OE2-N 3.45Å; K398-L403 HydrophobicContact CB-CD1 4.5Å
399	T	91.4	Very high	93.9	Very high	22 Å²	22	48 Å²	48	14%	0.135	27%	0.268	C	S	.	.			trans	-68.5	156.3	173.1	66.5	0	0	0	0	110.5	P397 A401 R402 L403	P397-T399 HydrophobicContact CB-CG2 4.16Å; P397-T399 HydrophobicContact CG-CG2 4.24Å; P397-T399 PolarHBondContact O-N 3.01Å; T399-A401 PolarHBondContact O-N 3.42Å; T399-R402 PolarHBondContact O-N 3Å; T399-R402 WeakPolarHBondContact OG1-CG 3.35Å; T399-R402 PolarHBondContact OG1-N 2.85Å; T399-L403 WeakPolarHBondContact O-CG 3.4Å; T399-L403 PolarHBondContact O-N 2.78Å
400	T	93.8	Very high	93.9	Very high	8 Å²	8	48 Å²	48	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-41.5	176.4	-59.9	0	0	0	0	111.3	F374 T379 R380 F383 L403 L404 I428	F374-T400 HydrophobicContact CB-CG2 4.28Å; F374-T400 WeakPolarHBondContact O-CG2 3.39Å; F374-T400 PolarHBondContact O-OG1 3.5Å; T379-T400 HydrophobicContact CG2-CG2 4.5Å; R380-T400 WeakPolarHBondContact CB-OG1 3.27Å; F383-T400 HydrophobicContact CD2-CG2 3.8Å; F383-T400 HydrophobicContact CE2-CG2 4.05Å; T400-L403 PolarHBondContact O-N 3.29Å; T400-L404 HydrophobicContact CG2-CD1 3.82Å; T400-L404 HydrophobicContact CG2-CG 4.33Å; T400-L404 WeakPolarHBondContact O-CB 3.3Å; T400-L404 VanDerWaalsContact O-CG 3.29Å; T400-L404 WeakPolarHBondContact O-CG 3.29Å; T400-L404 PolarHBondContact O-N 2.91Å; T400-I428 HydrophobicContact CG2-CD1 4.23Å; T400-I428 HydrophobicContact CG2-CG2 4.41Å
401	A	93.2	Very high	94	Very high	23 Å²	23	46 Å²	46	19%	0.19	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-47.6	178.1	0	0	0	0	0	112.7	T399 L403 L404 D405 M429	T399-A401 PolarHBondContact O-N 3.42Å; A401-L403 PolarHBondContact O-N 3.28Å; A401-L404 PolarHBondContact O-N 3.39Å; A401-D405 WeakPolarHBondContact O-CB 3.33Å; A401-D405 PolarHBondContact O-N 3.26Å; A401-M429 HydrophobicContact CB-CG 3.93Å
402	R	92.2	Very high	94.2	Very high	52 Å²	52	42.7 Å²	42.7	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-34.9	178.8	-71.2	169.9	62.7	105.9	0.4	112.5	P395 P397 T399 K406 E485	P395-R402 PolarHBondContact O-NH2 3.02Å; P397-R402 WeakPolarHBondContact O-CD 3.32Å; P397-R402 PolarHBondContact O-NE 2.82Å; T399-R402 PolarHBondContact O-N 3Å; T399-R402 WeakPolarHBondContact OG1-CG 3.35Å; T399-R402 PolarHBondContact OG1-N 2.85Å; R402-K406 VanDerWaalsContact O-CG 3.28Å; R402-K406 WeakPolarHBondContact O-CG 3.43Å; R402-K406 PolarHBondContact O-N 3.12Å; R402-K406 VanDerWaalsContact O-N 3.12Å; R402-E485 IonicContact NH1-OE2 2.71Å
403	L	95.6	Very high	94.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-43.2	173.9	-70.8	165.5	0	0	0	111.5	R380 F383 L384 A387 C394 K398 T399 T400 A401 K406 L407	R380-L403 HydrophobicContact CG-CD1 4.39Å; F383-L403 HydrophobicContact CB-CB 4.08Å; F383-L403 HydrophobicContact CB-CD1 4.03Å; L384-L403 HydrophobicContact CB-CD1 4.36Å; A387-L403 HydrophobicContact CB-CD2 3.96Å; C394-L403 HydrophobicContact CB-CD2 3.97Å; K398-L403 HydrophobicContact CB-CD1 4.5Å; T399-L403 WeakPolarHBondContact O-CG 3.4Å; T399-L403 PolarHBondContact O-N 2.78Å; T400-L403 PolarHBondContact O-N 3.29Å; A401-L403 PolarHBondContact O-N 3.28Å; L403-K406 PolarHBondContact O-N 3.35Å; L403-L407 WeakPolarHBondContact O-CB 3.37Å; L403-L407 WeakPolarHBondContact O-CD1 3.16Å; L403-L407 VanDerWaalsContact O-CG 3.24Å; L403-L407 WeakPolarHBondContact O-CG 3.35Å; L403-L407 PolarHBondContact O-N 3.23Å
404	L	96.7	Very high	94.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-42.5	176.4	-73.9	168.2	0	0	0	112.2	F356 L360 F374 F383 T400 A401 L407 A408 P426 I428 M429	F356-L404 HydrophobicContact CE1-CB 4.37Å; F356-L404 HydrophobicContact CE1-CD2 4.22Å; F356-L404 HydrophobicContact CZ-CB 4.17Å; L360-L404 HydrophobicContact CD2-CD2 4.11Å; F374-L404 HydrophobicContact CD2-CD1 3.66Å; F374-L404 HydrophobicContact CE2-CD1 3.71Å; F374-L404 HydrophobicContact CE2-CD2 4.19Å; F383-L404 HydrophobicContact CD1-CD2 4.05Å; F383-L404 HydrophobicContact CD2-CD2 4.41Å; F383-L404 HydrophobicContact CE1-CD2 3.57Å; F383-L404 HydrophobicContact CE2-CD2 3.94Å; F383-L404 HydrophobicContact CE2-CG 4.34Å; F383-L404 HydrophobicContact CG-CD2 4.46Å; F383-L404 HydrophobicContact CZ-CD2 3.53Å; F383-L404 HydrophobicContact CZ-CG 4.41Å; T400-L404 HydrophobicContact CG2-CD1 3.82Å; T400-L404 HydrophobicContact CG2-CG 4.33Å; T400-L404 WeakPolarHBondContact O-CB 3.3Å; T400-L404 VanDerWaalsContact O-CG 3.29Å; T400-L404 WeakPolarHBondContact O-CG 3.29Å; T400-L404 PolarHBondContact O-N 2.91Å; A401-L404 PolarHBondContact O-N 3.39Å; L404-L407 PolarHBondContact O-N 2.92Å; L404-A408 WeakPolarHBondContact O-CB 3.41Å; L404-A408 PolarHBondContact O-N 3.46Å; L404-P426 HydrophobicContact CD1-CB 4.47Å; L404-P426 HydrophobicContact CD1-CG 4.2Å; L404-I428 HydrophobicContact CD1-CG2 4.15Å; L404-M429 HydrophobicContact CB-CE 4.23Å; L404-M429 HydrophobicContact CB-SD 3.55Å; L404-M429 VanDerWaalsContact CB-SD 3.55Å; L404-M429 HydrophobicContact CD1-CG 4.36Å; L404-M429 HydrophobicContact CD1-SD 3.98Å; L404-M429 HydrophobicContact CG-SD 4.41Å
405	D	95.2	Very high	94.7	Very high	66 Å²	66	42.2 Å²	42.2	35%	0.353	22%	0.223	S	C	.	.	H	α-helix	trans	-54	-51.8	172.7	173.4	77.1	0	0	0	111.4	A401 L407 A408 G409 M429	A401-D405 WeakPolarHBondContact O-CB 3.33Å; A401-D405 PolarHBondContact O-N 3.26Å; D405-L407 VanDerWaalsContact C-N 3.33Å; D405-L407 PolarHBondContact O-N 3.01Å; D405-A408 PolarHBondContact O-N 3.37Å; D405-G409 PolarHBondContact O-N 2.95Å; D405-M429 HydrophobicContact CB-CE 4.09Å
406	K	95.9	Very high	95.1	Very high	79 Å²	79	38.9 Å²	38.9	34%	0.343	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-36.6	178.7	-64	-73.4	162.3	-94.5	0	112.9	I392 C394 R402 L403 G409 E410	I392-K406 HydrophobicContact CG2-CB 3.64Å; C394-K406 HydrophobicContact CB-CG 4.22Å; R402-K406 VanDerWaalsContact O-CG 3.28Å; R402-K406 WeakPolarHBondContact O-CG 3.43Å; R402-K406 PolarHBondContact O-N 3.12Å; R402-K406 VanDerWaalsContact O-N 3.12Å; L403-K406 PolarHBondContact O-N 3.35Å; K406-G409 PolarHBondContact O-N 3.22Å; K406-E410 PolarHBondContact O-N 3.43Å; K406-E410 VanDerWaalsContact O-N 3.14Å
407	L	97.3	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-41.8	175	-75	165	0	0	0	111.9	L360 L364 F383 I386 I392 L403 L404 D405 E410 F411	L360-L407 HydrophobicContact CD1-CB 4.11Å; L360-L407 HydrophobicContact CD2-CB 4.25Å; L364-L407 HydrophobicContact CD2-CD2 4.34Å; F383-L407 HydrophobicContact CD1-CD1 3.67Å; F383-L407 HydrophobicContact CE1-CD1 4.34Å; F383-L407 HydrophobicContact CG-CD1 4.48Å; I386-L407 HydrophobicContact CG2-CD1 4.36Å; I386-L407 HydrophobicContact CG2-CD2 3.79Å; I392-L407 HydrophobicContact CD1-CD2 3.47Å; I392-L407 VanDerWaalsContact CD1-CD2 3.47Å; I392-L407 HydrophobicContact CD1-CG 4.31Å; L403-L407 WeakPolarHBondContact O-CB 3.37Å; L403-L407 WeakPolarHBondContact O-CD1 3.16Å; L403-L407 VanDerWaalsContact O-CG 3.24Å; L403-L407 WeakPolarHBondContact O-CG 3.35Å; L403-L407 PolarHBondContact O-N 3.23Å; L404-L407 PolarHBondContact O-N 2.92Å; D405-L407 VanDerWaalsContact C-N 3.33Å; D405-L407 PolarHBondContact O-N 3.01Å; L407-E410 PolarHBondContact O-N 3.19Å; L407-F411 HydrophobicContact CD2-CD2 4.25Å; L407-F411 HydrophobicContact CD2-CE2 4Å; L407-F411 WeakPolarHBondContact O-CB 3.47Å; L407-F411 VanDerWaalsContact O-CD2 3.3Å; L407-F411 WeakPolarHBondContact O-CD2 3.35Å; L407-F411 PolarHBondContact O-N 2.86Å
408	A	97.1	Very high	95.7	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-42.5	175.1	0	0	0	0	0	111.6	F356 L404 D405 E410 F411 L412 E413	F356-A408 HydrophobicContact CD2-CB 4.42Å; F356-A408 HydrophobicContact CE2-CB 3.5Å; F356-A408 VanDerWaalsContact CE2-CB 3.5Å; F356-A408 HydrophobicContact CZ-CB 3.66Å; L404-A408 WeakPolarHBondContact O-CB 3.41Å; L404-A408 PolarHBondContact O-N 3.46Å; D405-A408 PolarHBondContact O-N 3.37Å; A408-E410 VanDerWaalsContact C-N 3.27Å; A408-E410 PolarHBondContact O-N 2.92Å; A408-F411 PolarHBondContact O-N 2.75Å; A408-L412 HydrophobicContact CB-CD1 4.3Å; A408-L412 WeakPolarHBondContact O-CA 3.44Å; A408-L412 WeakPolarHBondContact O-CB 3.44Å; A408-L412 PolarHBondContact O-N 2.95Å; A408-E413 PolarHBondContact O-N 3.02Å
409	G	95.9	Very high	96.1	Very high	26 Å²	26	33.7 Å²	33.7	27%	0.268	18%	0.181	S	C	.	.	H	α-helix	trans	-57.8	-35.8	175.3	0	0	0	0	0	114.3	D405 K406 E413 P414	D405-G409 PolarHBondContact O-N 2.95Å; K406-G409 PolarHBondContact O-N 3.22Å; G409-E413 VanDerWaalsContact CA-CD 3.48Å; G409-E413 WeakPolarHBondContact CA-OE1 3.29Å; G409-P414 WeakPolarHBondContact O-CD 3.43Å
410	E	96.4	Very high	96.4	Very high	119 Å²	119	32.8 Å²	32.8	56%	0.556	18%	0.176	S	C	*	.	H	α-helix	trans	-82.6	-39.8	178.7	-171.4	62.2	-157.4	0	0	112.7	I392 K406 L407 A408 P414	I392-E410 HydrophobicContact CD1-CB 4.07Å; I392-E410 HydrophobicContact CD1-CG 4.18Å; I392-E410 HydrophobicContact CG1-CB 4.48Å; I392-E410 HydrophobicContact CG1-CG 4.34Å; K406-E410 PolarHBondContact O-N 3.43Å; K406-E410 VanDerWaalsContact O-N 3.14Å; L407-E410 PolarHBondContact O-N 3.19Å; A408-E410 VanDerWaalsContact C-N 3.27Å; A408-E410 PolarHBondContact O-N 2.92Å; E410-P414 WeakPolarHBondContact O-CG 3.41Å
411	F	97.2	Very high	96.7	Very high	41 Å²	41	32.4 Å²	32.4	18%	0.18	17%	0.173	C	C	.	.	H	α-helix	trans	-108.1	-27.1	-167.2	-68.1	-67.5	0	0	0	115.7	L360 K363 L364 H390 I392 L407 A408	L360-F411 HydrophobicContact CD1-CB 4.18Å; L360-F411 HydrophobicContact CD1-CD2 4.29Å; K363-F411 HydrophobicContact CB-CB 4.04Å; K363-F411 HydrophobicContact CB-CD1 4.41Å; K363-F411 HydrophobicContact CB-CG 4.42Å; K363-F411 HydrophobicContact CG-CB 4.39Å; L364-F411 HydrophobicContact CD2-CD2 3.84Å; L364-F411 HydrophobicContact CD2-CE2 3.48Å; L364-F411 VanDerWaalsContact CD2-CE2 3.48Å; L364-F411 HydrophobicContact CD2-CZ 3.9Å; H390-F411 HydrophobicContact CB-CE2 4.45Å; H390-F411 HydrophobicContact CB-CZ 4.11Å; H390-F411 AromaticContact CD2-CZ 3.52Å; H390-F411 AromaticContact CG-CZ 3.8Å; I392-F411 HydrophobicContact CD1-CD2 4.48Å; I392-F411 HydrophobicContact CD1-CE2 3.72Å; I392-F411 HydrophobicContact CD1-CZ 4.47Å; L407-F411 HydrophobicContact CD2-CD2 4.25Å; L407-F411 HydrophobicContact CD2-CE2 4Å; L407-F411 WeakPolarHBondContact O-CB 3.47Å; L407-F411 VanDerWaalsContact O-CD2 3.3Å; L407-F411 WeakPolarHBondContact O-CD2 3.35Å; L407-F411 PolarHBondContact O-N 2.86Å; A408-F411 PolarHBondContact O-N 2.75Å
412	L	97.9	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-49.7	-173.1	-57.9	-172.2	0	0	0	112.5	F356 D359 L360 K363 A408 P414 L415 L422	F356-L412 HydrophobicContact CD2-CD1 4.45Å; F356-L412 HydrophobicContact CG-CD1 4.44Å; D359-L412 HydrophobicContact CB-CD2 3.9Å; L360-L412 HydrophobicContact CB-CD1 4.17Å; K363-L412 HydrophobicContact CG-CD2 4.23Å; A408-L412 HydrophobicContact CB-CD1 4.3Å; A408-L412 WeakPolarHBondContact O-CA 3.44Å; A408-L412 WeakPolarHBondContact O-CB 3.44Å; A408-L412 PolarHBondContact O-N 2.95Å; L412-P414 VanDerWaalsContact C-CD 3.44Å; L412-P414 VanDerWaalsContact C-N 3.33Å; L412-L415 HydrophobicContact CD2-CD1 4.35Å; L412-L415 WeakPolarHBondContact O-CB 3.45Å; L412-L415 WeakPolarHBondContact O-CG 3.47Å; L412-L415 PolarHBondContact O-N 2.79Å; L412-L422 HydrophobicContact CB-CD1 4.45Å; L412-L422 HydrophobicContact CD1-CD1 3.74Å
413	E	97.3	Very high	97.2	Very high	40 Å²	40	29.6 Å²	29.6	19%	0.187	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-56.1	-38.4	-178.6	-61.1	-177.3	-155.2	0	0	113.7	A408 G409 L415 C416 F449 H452	A408-E413 PolarHBondContact O-N 3.02Å; G409-E413 VanDerWaalsContact CA-CD 3.48Å; G409-E413 WeakPolarHBondContact CA-OE1 3.29Å; E413-L415 PolarHBondContact O-N 2.75Å; E413-L415 VanDerWaalsContact O-N 3.1Å; E413-C416 WeakPolarHBondContact O-CB 3.33Å; E413-C416 PolarHBondContact O-N 3.34Å; E413-F449 HydrophobicContact CB-CD1 4.26Å; E413-F449 HydrophobicContact CB-CE1 4.15Å; E413-F449 HydrophobicContact CG-CD1 3.96Å; E413-F449 HydrophobicContact CG-CE1 3.4Å; E413-F449 VanDerWaalsContact CG-CE1 3.4Å; E413-F449 HydrophobicContact CG-CZ 3.78Å; E413-H452 WeakPolarHBondContact O-CA 3.42Å
414	P	96.5	Very high	97.3	Very high	60 Å²	60	29.8 Å²	29.8	39%	0.39	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-65.2	-12.4	176.2	-24.5	37.4	0	0	0	114.4	G409 E410 L412 C416 H452	G409-P414 WeakPolarHBondContact O-CD 3.43Å; E410-P414 WeakPolarHBondContact O-CG 3.41Å; L412-P414 VanDerWaalsContact C-CD 3.44Å; L412-P414 VanDerWaalsContact C-N 3.33Å; P414-C416 VanDerWaalsContact C-N 3.28Å; P414-H452 PolarHBondContact O-CD2 3Å; P414-H452 PolarHBondContact O-NE2 3.01Å
415	L	96.6	Very high	97.4	Very high	53 Å²	53	29.8 Å²	29.8	28%	0.277	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-80.7	-13.3	175.1	-49.7	176.5	0	0	0	112.4	I354 K363 L412 E413 V417	I354-L415 HydrophobicContact CD1-CB 3.92Å; I354-L415 HydrophobicContact CD1-CD1 4.16Å; K363-L415 VanDerWaalsContact CE-CD1 3.44Å; L412-L415 HydrophobicContact CD2-CD1 4.35Å; L412-L415 WeakPolarHBondContact O-CB 3.45Å; L412-L415 WeakPolarHBondContact O-CG 3.47Å; L412-L415 PolarHBondContact O-N 2.79Å; E413-L415 PolarHBondContact O-N 2.75Å; E413-L415 VanDerWaalsContact O-N 3.1Å; L415-V417 PolarHBondContact O-N 3.33Å
416	C	97.7	Very high	97.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.145	C	C	.	.			trans	-98.3	64.2	-170.6	-56.2	0	0	0	0	111.2	E413 P414 T420 F449 M450 L451 H452	E413-C416 WeakPolarHBondContact O-CB 3.33Å; E413-C416 PolarHBondContact O-N 3.34Å; P414-C416 VanDerWaalsContact C-N 3.28Å; C416-T420 HydrophobicContact CB-CG2 4.46Å; C416-F449 HydrophobicContact CB-CB 3.36Å; C416-F449 HydrophobicContact CB-CG 4.34Å; C416-M450 CarbonylContact O-C 3.56Å; C416-L451 PolarHBondContact O-N 3.02Å; C416-H452 PolarHBondContact O-N 3.11Å
417	V	96.6	Very high	97.5	Very high	47 Å²	47	23.3 Å²	23.3	29%	0.285	13%	0.131	S	C	.	.	S	Bend	trans	-72.7	-59.2	173.8	177.2	0	0	0	0	110.3	I343 L415 L451 H452	I343-V417 HydrophobicContact CG2-CG1 3.58Å; L415-V417 PolarHBondContact O-N 3.33Å; V417-L451 PolarHBondContact O-N 3.47Å; V417-H452 WeakPolarHBondContact CG2-NE2 3.5Å
418	N	98.2	Very high	97.4	Very high	63 Å²	63	25.2 Å²	25.2	34%	0.337	14%	0.14	S	C	.	.	S	Bend	trans	-74.7	159.9	168.9	-67.9	-19.9	0	0	0	110.1	V345 D346 T420	V345-N418 WeakPolarHBondContact CA-OD1 3.43Å; D346-N418 PolarHBondContact N-OD1 2.86Å; N418-T420 PolarHBondContact O-N 3.49Å; N418-T420 PolarHBondContact O-OG1 3Å
419	P	98.6	Very high	97.3	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.019	15%	0.148	C	C	.	.	S	Bend	trans	-45.8	117.4	169.5	-27.8	35.6	0	0	0	111.1	D346 C347 F351 L448 F449 M450	D346-P419 WeakPolarHBondContact O-CD 3.33Å; C347-P419 HydrophobicContact CB-CG 4.16Å; F351-P419 HydrophobicContact CB-CB 4.48Å; F351-P419 WeakPolarHBondContact CB-O 3.5Å; F351-P419 HydrophobicContact CD1-CB 3.85Å; F351-P419 HydrophobicContact CD2-CB 3.59Å; F351-P419 HydrophobicContact CE1-CB 3.92Å; F351-P419 HydrophobicContact CE1-CG 4.25Å; F351-P419 HydrophobicContact CE2-CB 3.66Å; F351-P419 HydrophobicContact CE2-CG 4.45Å; F351-P419 HydrophobicContact CG-CB 3.71Å; F351-P419 HydrophobicContact CZ-CB 3.83Å; F351-P419 HydrophobicContact CZ-CG 4.2Å; P419-L448 HydrophobicContact CB-CD1 4.09Å; P419-F449 CarbonylContact C-O 3.49Å; P419-F449 WeakPolarHBondContact CA-O 3.46Å; P419-M450 HydrophobicContact CG-CG 4.25Å; P419-M450 HydrophobicContact CG-SD 3.72Å
420	T	98.8	Very high	97.3	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.9	-174.2	-59.1	0	0	0	0	109.1	K352 I354 C416 N418 F449	K352-T420 HydrophobicContact CB-CG2 4.02Å; K352-T420 HydrophobicContact CD-CG2 4.18Å; K352-T420 HydrophobicContact CG-CG2 4.1Å; K352-T420 CarbonylContact O-C 3.56Å; K352-T420 VanDerWaalsContact O-CA 3.3Å; K352-T420 WeakPolarHBondContact O-CA 3.26Å; K352-T420 WeakPolarHBondContact O-CG2 3.46Å; I354-T420 HydrophobicContact CB-CG2 4.43Å; I354-T420 HydrophobicContact CD1-CG2 3.61Å; I354-T420 HydrophobicContact CG1-CG2 3.71Å; C416-T420 HydrophobicContact CB-CG2 4.46Å; N418-T420 PolarHBondContact O-N 3.49Å; N418-T420 PolarHBondContact O-OG1 3Å; T420-F449 PolarHBondContact N-O 3.12Å; T420-F449 PolarHBondContact O-N 2.97Å
421	F	98.8	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.2	171.9	-64	-64.6	0	0	0	110.2	M311 T314 E315 F351 K352 R353 I354 T423 F446 E447 L448	M311-F421 HydrophobicContact CB-CE1 4.38Å; M311-F421 HydrophobicContact CB-CE2 4.02Å; M311-F421 HydrophobicContact CB-CZ 3.95Å; M311-F421 HydrophobicContact CG-CD1 4.05Å; M311-F421 HydrophobicContact CG-CD2 4.19Å; M311-F421 HydrophobicContact CG-CE1 3.96Å; M311-F421 HydrophobicContact CG-CE2 4.1Å; M311-F421 HydrophobicContact CG-CG 4.15Å; M311-F421 HydrophobicContact CG-CZ 3.99Å; M311-F421 WeakPolarHBondContact O-CZ 3.48Å; M311-F421 HydrophobicContact SD-CB 4.25Å; M311-F421 HydrophobicContact SD-CD1 4.42Å; M311-F421 HydrophobicContact SD-CD2 4.04Å; M311-F421 HydrophobicContact SD-CE2 4.47Å; M311-F421 HydrophobicContact SD-CG 4Å; T314-F421 HydrophobicContact CG2-CE1 3.89Å; T314-F421 HydrophobicContact CG2-CZ 4.06Å; E315-F421 HydrophobicContact CG-CE2 3.83Å; E315-F421 HydrophobicContact CG-CZ 4.02Å; F351-F421 HydrophobicContact CB-CD2 3.92Å; F351-F421 HydrophobicContact CB-CE2 3.72Å; F351-F421 AromaticContact CD2-CE2 3.9Å; F351-F421 HydrophobicContact CD2-CE2 3.9Å; F351-F421 AromaticContact CD2-CZ 3.91Å; F351-F421 HydrophobicContact CD2-CZ 3.91Å; F351-F421 HydrophobicContact CG-CE2 4.26Å; K352-F421 PolarHBondContact O-N 2.82Å; R353-F421 CarbonylContact C-O 3.57Å; R353-F421 WeakPolarHBondContact CA-O 3.3Å; R353-F421 HydrophobicContact CG-CB 4.24Å; R353-F421 HydrophobicContact CG-CD2 4.17Å; I354-F421 PolarHBondContact N-O 2.84Å; F421-T423 HydrophobicContact CB-CG2 3.89Å; F421-F446 HydrophobicContact CD1-CB 4.47Å; F421-F446 AromaticContact CD1-CD2 3.44Å; F421-F446 HydrophobicContact CD1-CD2 3.44Å; F421-F446 VanDerWaalsContact CD1-CD2 3.44Å; F421-F446 AromaticContact CD1-CE2 3.79Å; F421-F446 HydrophobicContact CD1-CE2 3.79Å; F421-F446 HydrophobicContact CD1-CG 4.07Å; F421-F446 AromaticContact CE1-CD2 3.74Å; F421-F446 HydrophobicContact CE1-CD2 3.74Å; F421-F446 AromaticContact CE1-CE2 3.55Å; F421-F446 HydrophobicContact CE1-CE2 3.55Å; F421-F446 HydrophobicContact CE1-CZ 4.21Å; F421-E447 CarbonylContact C-O 3.46Å; F421-E447 WeakPolarHBondContact CA-O 3.43Å; F421-L448 HydrophobicContact CD1-CB 4.24Å; F421-L448 HydrophobicContact CD1-CD1 3.82Å; F421-L448 HydrophobicContact CE1-CB 4.23Å; F421-L448 HydrophobicContact CE1-CD1 3.76Å; F421-L448 HydrophobicContact CE1-CG 4.48Å; F421-L448 HydrophobicContact CG-CD1 4.39Å; F421-L448 HydrophobicContact CZ-CD1 4.27Å
422	L	98.6	Very high	97.3	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.8	164.2	-179	60	0	0	0	107.9	I354 F356 L412 H425 F446 E447 F449	I354-L422 HydrophobicContact CB-CD1 4.37Å; I354-L422 HydrophobicContact CG2-CD1 4.01Å; I354-L422 CarbonylContact O-C 3.6Å; I354-L422 WeakPolarHBondContact O-CA 3.23Å; F356-L422 HydrophobicContact CB-CD1 4.06Å; F356-L422 HydrophobicContact CB-CG 4.43Å; F356-L422 HydrophobicContact CD2-CD1 4.2Å; F356-L422 HydrophobicContact CD2-CD2 3.81Å; F356-L422 HydrophobicContact CD2-CG 4.03Å; F356-L422 HydrophobicContact CE2-CD2 4.3Å; L412-L422 HydrophobicContact CB-CD1 4.45Å; L412-L422 HydrophobicContact CD1-CD1 3.74Å; L422-H425 PolarHBondContact O-CE1 2.76Å; L422-F446 CarbonylContact O-C 3.53Å; L422-F446 WeakPolarHBondContact O-CA 3.29Å; L422-E447 PolarHBondContact N-O 3.28Å; L422-E447 PolarHBondContact O-N 3.04Å; L422-F449 HydrophobicContact CB-CD2 4.16Å; L422-F449 HydrophobicContact CB-CE2 4.24Å; L422-F449 HydrophobicContact CD2-CE2 3.96Å
423	T	98.6	Very high	97.3	Very high	13 Å²	13	19.2 Å²	19.2	8%	0.08	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	165.5	-167.2	66.7	0	0	0	0	113.2	M311 I354 F356 F421 R445 F446	M311-T423 HydrophobicContact SD-CG2 4.06Å; I354-T423 PolarHBondContact O-N 2.92Å; I354-T423 PolarHBondContact O-OG1 3.37Å; F356-T423 VanDerWaalsContact CB-O 3.31Å; F356-T423 WeakPolarHBondContact CB-O 3.39Å; F356-T423 PolarHBondContact N-O 2.85Å; F421-T423 HydrophobicContact CB-CG2 3.89Å; T423-R445 CarbonylContact C-O 3.56Å; T423-R445 WeakPolarHBondContact CA-O 3.47Å; T423-F446 HydrophobicContact CG2-CB 3.97Å
424	C	97.7	Very high	97.4	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.041	11%	0.114	C	C	.	.			trans	61.1	48.7	172.9	-53.5	0	0	0	0	114	N355 L442 T443 R445	N355-C424 WeakPolarHBondContact ND2-CB 3.26Å; N355-C424 PolarHBondContact ND2-SG 3.38Å; C424-L442 HydrophobicContact CB-CD1 4.12Å; C424-T443 WeakPolarHBondContact CA-O 3.26Å; C424-R445 PolarHBondContact N-O 3.44Å
425	H	98.2	Very high	97.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.118	C	C	.	.			trans	-61.5	143.9	176.8	-71.1	79.1	0	0	0	111.9	F356 L422 L442 T443 R445 E447	F356-H425 AromaticContact CD2-CD2 3.35Å; F356-H425 WeakPolarHBondContact CD2-CD2 3.25Å; F356-H425 AromaticContact CD2-NE2 3.43Å; F356-H425 WeakPolarHBondContact CD2-NE2 3.11Å; F356-H425 AromaticContact CE2-CD2 3.69Å; F356-H425 AromaticContact CE2-NE2 3.9Å; L422-H425 PolarHBondContact O-CE1 2.76Å; H425-L442 CarbonylContact O-C 3.47Å; H425-T443 PolarHBondContact O-N 2.95Å; H425-T443 PolarHBondContact O-OG1 2.93Å; H425-R445 HydrophobicContact CB-CB 4.19Å; H425-R445 HydrophobicContact CB-CG 4.24Å; H425-E447 IonicContact CE1-OE2 3.21Å; H425-E447 IonicContact NE2-OE2 3.38Å; H425-E447 PolarHBondContact NE2-OE2 2.99Å; H425-E447 VanDerWaalsContact NE2-OE2 3.13Å
426	P	97.7	Very high	97.5	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-58.4	146.3	173.7	-27.2	37.2	0	0	0	113.5	F356 F374 L404 I428 M429 S430 G441 L442	F356-P426 HydrophobicContact CD1-CG 4.26Å; F356-P426 HydrophobicContact CE1-CG 4.34Å; F374-P426 HydrophobicContact CD2-CB 3.75Å; F374-P426 HydrophobicContact CD2-CG 4Å; F374-P426 HydrophobicContact CE2-CB 3.98Å; F374-P426 HydrophobicContact CE2-CG 3.69Å; L404-P426 HydrophobicContact CD1-CB 4.47Å; L404-P426 HydrophobicContact CD1-CG 4.2Å; P426-I428 HydrophobicContact CB-CG2 4.07Å; P426-I428 PolarHBondContact O-N 3.39Å; P426-M429 HydrophobicContact CG-SD 4.4Å; P426-M429 PolarHBondContact O-N 2.91Å; P426-M429 VanDerWaalsContact O-N 3.08Å; P426-S430 PolarHBondContact O-OG 2.87Å; P426-G441 WeakPolarHBondContact CA-O 3.49Å; P426-L442 HydrophobicContact CB-CD2 4.35Å; P426-L442 HydrophobicContact CG-CD2 4.08Å
427	C	96.3	Very high	97.5	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.054	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36.9	177.9	-70.4	0	0	0	0	112.9	M429 S430 G441 L442 T443	C427-M429 PolarHBondContact O-N 3.11Å; C427-M429 VanDerWaalsContact O-N 3.15Å; C427-S430 CarbonylContact O-C 3.59Å; C427-S430 PolarHBondContact O-N 2.75Å; C427-G441 PolarHBondContact N-O 3.18Å; C427-G441 PolarHBondContact SG-O 3.13Å; C427-L442 PolarHBondContact SG-O 2.78Å; C427-L442 VanDerWaalsContact SG-O 3.39Å; C427-T443 HydrophobicContact CB-CG2 4.16Å; C427-T443 WeakPolarHBondContact SG-CG2 3.33Å
428	I	94	Very high	97.5	Very high	40 Å²	40	30.6 Å²	30.6	21%	0.205	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-62.4	-21.4	-179.9	-163.1	159.6	0	0	0	113.7	F374 T400 L404 P426	F374-I428 HydrophobicContact CB-CG2 4.19Å; F374-I428 HydrophobicContact CD2-CG2 4.29Å; F374-I428 WeakPolarHBondContact O-CD1 3.16Å; T400-I428 HydrophobicContact CG2-CD1 4.23Å; T400-I428 HydrophobicContact CG2-CG2 4.41Å; L404-I428 HydrophobicContact CD1-CG2 4.15Å; P426-I428 HydrophobicContact CB-CG2 4.07Å; P426-I428 PolarHBondContact O-N 3.39Å
429	M	94.9	Very high	97.5	Very high	35 Å²	35	30.7 Å²	30.7	17%	0.172	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-96.5	-5.7	176.9	-61.8	176.4	72.1	0	0	112.8	F356 A401 L404 D405 P426 C427 R445	F356-M429 HydrophobicContact CE1-SD 4.29Å; F356-M429 HydrophobicContact CE2-CE 4.11Å; F356-M429 HydrophobicContact CE2-SD 4.22Å; F356-M429 HydrophobicContact CZ-CE 4Å; F356-M429 HydrophobicContact CZ-SD 3.75Å; A401-M429 HydrophobicContact CB-CG 3.93Å; L404-M429 HydrophobicContact CB-CE 4.23Å; L404-M429 HydrophobicContact CB-SD 3.55Å; L404-M429 VanDerWaalsContact CB-SD 3.55Å; L404-M429 HydrophobicContact CD1-CG 4.36Å; L404-M429 HydrophobicContact CD1-SD 3.98Å; L404-M429 HydrophobicContact CG-SD 4.41Å; D405-M429 HydrophobicContact CB-CE 4.09Å; P426-M429 HydrophobicContact CG-SD 4.4Å; P426-M429 PolarHBondContact O-N 2.91Å; P426-M429 VanDerWaalsContact O-N 3.08Å; C427-M429 PolarHBondContact O-N 3.11Å; C427-M429 VanDerWaalsContact O-N 3.15Å; M429-R445 PolarHBondContact O-NH1 2.66Å
430	S	96.5	Very high	97.4	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.035	17%	0.172	C	C	.	.			trans	-138.2	62.3	-162.4	-44	0	0	0	0	110.8	P426 C427 L432 A433 R445	P426-S430 PolarHBondContact O-OG 2.87Å; C427-S430 CarbonylContact O-C 3.59Å; C427-S430 PolarHBondContact O-N 2.75Å; S430-L432 PolarHBondContact O-N 2.88Å; S430-A433 PolarHBondContact O-N 3.49Å; S430-A433 VanDerWaalsContact O-N 3.08Å; S430-R445 WeakPolarHBondContact OG-CD 3.18Å; S430-R445 PolarHBondContact OG-NH1 2.92Å
431	P	95.4	Very high	97.3	Very high	17 Å²	17	34.3 Å²	34.3	11%	0.11	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.2	-169.5	27	-36.2	0	0	0	114.9	Q468 R471 Q475 M487	P431-Q468 PolarHBondContact O-NE2 2.82Å; P431-R471 HydrophobicContact CB-CB 4.39Å; P431-R471 WeakPolarHBondContact O-CB 3.41Å; P431-Q475 HydrophobicContact CB-CG 3.9Å; P431-Q475 HydrophobicContact CG-CG 4.23Å; P431-M487 HydrophobicContact CG-CE 3.97Å; P431-M487 HydrophobicContact CG-SD 4.27Å
432	L	97.7	Very high	97.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-5.7	-179.8	-58.6	176.8	0	0	0	113	E261 L262 S430 Y459 L462 F472 M487	E261-L432 HydrophobicContact CG-CD1 4.29Å; E261-L432 WeakPolarHBondContact OE1-CB 3.48Å; E261-L432 VanDerWaalsContact OE1-CD1 3.24Å; E261-L432 WeakPolarHBondContact OE1-CD1 3.4Å; E261-L432 WeakPolarHBondContact OE2-CD1 3.45Å; L262-L432 HydrophobicContact CD2-CD1 4.25Å; L262-L432 HydrophobicContact CD2-CD2 4.32Å; S430-L432 PolarHBondContact O-N 2.88Å; L432-Y459 HydrophobicContact CB-CE2 4.14Å; L432-L462 VanDerWaalsContact O-CB 3.23Å; L432-L462 WeakPolarHBondContact O-CB 3.35Å; L432-L462 PolarHBondContact O-N 3.03Å; L432-F472 HydrophobicContact CD2-CE1 3.89Å; L432-F472 HydrophobicContact CD2-CZ 4.06Å; L432-M487 HydrophobicContact CD1-CE 3.78Å; L432-M487 HydrophobicContact CD1-SD 4.01Å; L432-M487 HydrophobicContact CD2-SD 4.49Å; L432-M487 HydrophobicContact CG-CE 4.25Å; L432-M487 HydrophobicContact CG-SD 4.26Å
433	A	98.5	Very high	97.3	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.033	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-91	143.2	-179.3	0	0	0	0	0	111	S430 T443 R445 Y459	S430-A433 PolarHBondContact O-N 3.49Å; S430-A433 VanDerWaalsContact O-N 3.08Å; A433-T443 HydrophobicContact CB-CG2 4.03Å; A433-R445 HydrophobicContact CB-CB 4.36Å; A433-Y459 HydrophobicContact CB-CD1 4.19Å; A433-Y459 HydrophobicContact CB-CD2 3.84Å; A433-Y459 HydrophobicContact CB-CG 3.63Å
434	K	98.5	Very high	97.3	Very high	68 Å²	68	34 Å²	34	30%	0.296	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-72.2	141.1	179.2	-160.5	165.9	-176.3	167.5	0	111	T443 E444 T460 N463	K434-T443 VanDerWaalsContact O-CA 3.26Å; K434-T443 WeakPolarHBondContact O-CA 3.46Å; K434-T443 WeakPolarHBondContact O-CB 3.33Å; K434-E444 PolarHBondContact O-N 2.61Å; K434-T460 HydrophobicContact CB-CG2 4.19Å; K434-T460 VanDerWaalsContact CB-O 3.26Å; K434-T460 WeakPolarHBondContact CB-O 3.48Å; K434-T460 HydrophobicContact CD-CG2 4.03Å; K434-T460 PolarHBondContact N-O 2.89Å; K434-N463 WeakPolarHBondContact CE-OD1 3.36Å; K434-N463 PolarHBondContact NZ-OD1 3.34Å
435	E	97.8	Very high	97.3	Very high	100 Å²	100	34.9 Å²	34.9	47%	0.467	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-58.9	143.1	175.6	-173.7	169.3	-147.5	0	0	111.1	R437 G441 L442	E435-R437 PolarHBondContact O-N 3.19Å; E435-G441 PolarHBondContact OE1-N 2.97Å; E435-L442 CarbonylContact C-O 3.54Å; E435-L442 WeakPolarHBondContact CA-O 3.3Å; E435-L442 WeakPolarHBondContact CG-O 3.36Å
436	H	98.5	Very high	97.3	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.102	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-65.8	127.4	-177	-170	-82	0	0	0	111.2	S438 R439 L442 E444	H436-S438 PolarHBondContact CE1-OG 3.21Å; H436-S438 PolarHBondContact ND1-N 3.15Å; H436-S438 PolarHBondContact ND1-OG 3.21Å; H436-S438 PolarHBondContact O-N 3.05Å; H436-R439 HydrophobicContact CB-CB 4.17Å; H436-R439 WeakPolarHBondContact ND1-CB 3.47Å; H436-R439 PolarHBondContact ND1-N 3.38Å; H436-R439 PolarHBondContact O-N 2.91Å; H436-L442 HydrophobicContact CB-CB 4.15Å; H436-L442 WeakPolarHBondContact CB-O 3.48Å; H436-L442 PolarHBondContact N-O 2.96Å; H436-E444 HydrophobicContact CB-CG 4.43Å
437	R	97.9	Very high	97.4	Very high	163 Å²	163	36 Å²	36	62%	0.615	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.4	-173.6	69.3	-171.9	67.3	174.9	0.9	116.5	D306 E435 E444	D306-R437 IonicContact OD2-CZ 3.59Å; D306-R437 IonicContact OD2-NH1 3.56Å; D306-R437 PolarHBondContact OD2-NH1 2.94Å; D306-R437 IonicContact OD2-NH2 3.03Å; D306-R437 PolarHBondContact OD2-NH2 3.46Å; E435-R437 PolarHBondContact O-N 3.19Å; R437-E444 WeakPolarHBondContact CB-OE1 3.19Å; R437-E444 IonicContact CZ-OE1 3.91Å; R437-E444 VanDerWaalsContact CZ-OE1 3.28Å; R437-E444 IonicContact CZ-OE2 3.28Å; R437-E444 PolarHBondContact N-OE1 3.5Å; R437-E444 IonicContact NE-OE1 3.29Å; R437-E444 PolarHBondContact NE-OE1 3.25Å; R437-E444 VanDerWaalsContact NH2-CD 3.3Å; R437-E444 IonicContact NH2-OE1 2.94Å; R437-E444 PolarHBondContact NH2-OE1 3.02Å; R437-E444 IonicContact NH2-OE2 3.05Å; R437-E444 PolarHBondContact NH2-OE2 2.94Å
438	S	97.3	Very high	97.5	Very high	87 Å²	87	35.6 Å²	35.6	61%	0.608	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.7	2.1	-177.4	63.2	0	0	0	0	115.6	H436	H436-S438 PolarHBondContact CE1-OG 3.21Å; H436-S438 PolarHBondContact ND1-N 3.15Å; H436-S438 PolarHBondContact ND1-OG 3.21Å; H436-S438 PolarHBondContact O-N 3.05Å
439	R	96.9	Very high	97.7	Very high	64 Å²	64	33.9 Å²	33.9	24%	0.242	17%	0.167	C	C	.	.	S	Bend	trans	-134.9	88.1	-174.5	-63.5	-177.5	69	166.4	3.3	110.2	N355 D358 H436 G441 L442	N355-R439 PolarHBondContact ND2-NH1 3.49Å; N355-R439 PolarHBondContact OD1-NH1 2.84Å; D358-R439 IonicContact OD1-CZ 3.75Å; D358-R439 IonicContact OD1-NH2 3.69Å; D358-R439 PolarHBondContact OD1-NH2 2.95Å; D358-R439 IonicContact OD2-CZ 2.66Å; D358-R439 VanDerWaalsContact OD2-CZ 3.29Å; D358-R439 IonicContact OD2-NH1 2.77Å; D358-R439 PolarHBondContact OD2-NH1 2.79Å; D358-R439 IonicContact OD2-NH2 2.71Å; D358-R439 PolarHBondContact OD2-NH2 3.25Å; H436-R439 HydrophobicContact CB-CB 4.17Å; H436-R439 WeakPolarHBondContact ND1-CB 3.47Å; H436-R439 PolarHBondContact ND1-N 3.38Å; H436-R439 PolarHBondContact O-N 2.91Å; R439-G441 PolarHBondContact O-N 3.39Å; R439-L442 HydrophobicContact CB-CB 4.34Å; R439-L442 HydrophobicContact CB-CD1 4.02Å; R439-L442 HydrophobicContact CB-CG 4.42Å; R439-L442 VanDerWaalsContact NE-CD1 3.33Å; R439-L442 PolarHBondContact O-N 3.21Å; R439-L442 VanDerWaalsContact O-N 3.16Å
440	P	96.8	Very high	97.9	Very high	76 Å²	76	32.2 Å²	32.2	49%	0.494	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	137.7	-177.7	-27.9	35.7	0	0	0	113.1	L442	P440-L442 VanDerWaalsContact C-N 3.28Å; P440-L442 PolarHBondContact O-N 3.23Å
441	G	96.4	Very high	97.9	Very high	6 Å²	6	32.6 Å²	32.6	6%	0.062	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-3	-178.1	0	0	0	0	0	116.1	P426 C427 E435 R439	P426-G441 WeakPolarHBondContact CA-O 3.49Å; C427-G441 PolarHBondContact N-O 3.18Å; C427-G441 PolarHBondContact SG-O 3.13Å; E435-G441 PolarHBondContact OE1-N 2.97Å; R439-G441 PolarHBondContact O-N 3.39Å
442	L	98.2	Very high	97.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-106	167	169.2	-56.9	-177.1	0	0	0	110.7	P371 C424 H425 P426 C427 E435 H436 R439 P440	P371-L442 HydrophobicContact CB-CD2 3.53Å; P371-L442 HydrophobicContact CB-CG 3.9Å; P371-L442 HydrophobicContact CG-CD1 4.39Å; P371-L442 HydrophobicContact CG-CD2 3.66Å; P371-L442 HydrophobicContact CG-CG 3.9Å; C424-L442 HydrophobicContact CB-CD1 4.12Å; H425-L442 CarbonylContact O-C 3.47Å; P426-L442 HydrophobicContact CB-CD2 4.35Å; P426-L442 HydrophobicContact CG-CD2 4.08Å; C427-L442 PolarHBondContact SG-O 2.78Å; C427-L442 VanDerWaalsContact SG-O 3.39Å; E435-L442 CarbonylContact C-O 3.54Å; E435-L442 WeakPolarHBondContact CA-O 3.3Å; E435-L442 WeakPolarHBondContact CG-O 3.36Å; H436-L442 HydrophobicContact CB-CB 4.15Å; H436-L442 WeakPolarHBondContact CB-O 3.48Å; H436-L442 PolarHBondContact N-O 2.96Å; R439-L442 HydrophobicContact CB-CB 4.34Å; R439-L442 HydrophobicContact CB-CD1 4.02Å; R439-L442 HydrophobicContact CB-CG 4.42Å; R439-L442 VanDerWaalsContact NE-CD1 3.33Å; R439-L442 PolarHBondContact O-N 3.21Å; R439-L442 VanDerWaalsContact O-N 3.16Å; P440-L442 VanDerWaalsContact C-N 3.28Å; P440-L442 PolarHBondContact O-N 3.23Å
443	T	98.7	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-120.9	159.1	-179.9	59.2	0	0	0	0	112.4	C424 H425 C427 A433 K434 R445	C424-T443 WeakPolarHBondContact CA-O 3.26Å; H425-T443 PolarHBondContact O-N 2.95Å; H425-T443 PolarHBondContact O-OG1 2.93Å; C427-T443 HydrophobicContact CB-CG2 4.16Å; C427-T443 WeakPolarHBondContact SG-CG2 3.33Å; A433-T443 HydrophobicContact CB-CG2 4.03Å; K434-T443 VanDerWaalsContact O-CA 3.26Å; K434-T443 WeakPolarHBondContact O-CA 3.46Å; K434-T443 WeakPolarHBondContact O-CB 3.33Å; T443-R445 PolarHBondContact O-N 3.1Å; T443-R445 WeakPolarHBondContact OG1-CB 3.26Å
444	E	98.8	Very high	97.8	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.037	20%	0.199	C	C	.	.	S	Bend	trans	-80.1	62.8	168.6	-57.8	-165	164.4	0	0	110.2	Y307 K434 H436 R437 Y459 T460	Y307-E444 WeakPolarHBondContact CB-O 3.49Å; Y307-E444 HydrophobicContact CD1-CB 3.7Å; Y307-E444 HydrophobicContact CD1-CG 4.3Å; Y307-E444 HydrophobicContact CD2-CB 4.18Å; Y307-E444 HydrophobicContact CE1-CB 4.04Å; Y307-E444 HydrophobicContact CE1-CG 4.24Å; Y307-E444 HydrophobicContact CE2-CB 4.47Å; Y307-E444 HydrophobicContact CG-CB 3.83Å; K434-E444 PolarHBondContact O-N 2.61Å; H436-E444 HydrophobicContact CB-CG 4.43Å; R437-E444 WeakPolarHBondContact CB-OE1 3.19Å; R437-E444 IonicContact CZ-OE1 3.91Å; R437-E444 VanDerWaalsContact CZ-OE1 3.28Å; R437-E444 IonicContact CZ-OE2 3.28Å; R437-E444 PolarHBondContact N-OE1 3.5Å; R437-E444 IonicContact NE-OE1 3.29Å; R437-E444 PolarHBondContact NE-OE1 3.25Å; R437-E444 VanDerWaalsContact NH2-CD 3.3Å; R437-E444 IonicContact NH2-OE1 2.94Å; R437-E444 PolarHBondContact NH2-OE1 3.02Å; R437-E444 IonicContact NH2-OE2 3.05Å; R437-E444 PolarHBondContact NH2-OE2 2.94Å; E444-Y459 CarbonylContact O-C 3.49Å; E444-Y459 WeakPolarHBondContact O-CA 3.39Å; E444-Y459 VanDerWaalsContact O-CB 3.25Å; E444-Y459 WeakPolarHBondContact O-CB 3.46Å; E444-T460 WeakPolarHBondContact CB-OG1 3.48Å; E444-T460 PolarHBondContact O-N 2.98Å; E444-T460 WeakPolarHBondContact OE2-CB 3.36Å; E444-T460 PolarHBondContact OE2-OG1 3.14Å
445	R	98.7	Very high	97.7	Very high	25 Å²	25	38.6 Å²	38.6	9%	0.094	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.8	-179.8	176	174.2	169	-163.3	-0.5	110.9	T423 C424 H425 M429 S430 A433 T443 E447 N457 A458 Y459	T423-R445 CarbonylContact C-O 3.56Å; T423-R445 WeakPolarHBondContact CA-O 3.47Å; C424-R445 PolarHBondContact N-O 3.44Å; H425-R445 HydrophobicContact CB-CB 4.19Å; H425-R445 HydrophobicContact CB-CG 4.24Å; M429-R445 PolarHBondContact O-NH1 2.66Å; S430-R445 WeakPolarHBondContact OG-CD 3.18Å; S430-R445 PolarHBondContact OG-NH1 2.92Å; A433-R445 HydrophobicContact CB-CB 4.36Å; T443-R445 PolarHBondContact O-N 3.1Å; T443-R445 WeakPolarHBondContact OG1-CB 3.26Å; R445-E447 IonicContact CZ-OE1 2.98Å; R445-E447 IonicContact NE-OE1 2.68Å; R445-E447 IonicContact NH2-OE1 3.22Å; R445-E447 PolarHBondContact NH2-OE1 3.06Å; R445-N457 PolarHBondContact NE-OD1 2.94Å; R445-A458 CarbonylContact C-O 3.59Å; R445-A458 WeakPolarHBondContact CA-O 3.33Å; R445-A458 WeakPolarHBondContact CG-O 3.35Å; R445-Y459 HydrophobicContact CB-CD1 4.48Å; R445-Y459 HydrophobicContact CG-CD1 4Å
446	F	98.8	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.5	163.1	72.7	-98	0	0	0	112.1	Y307 L310 M311 F421 L422 T423 A458 W507	Y307-F446 HydrophobicContact CD2-CD1 4.23Å; Y307-F446 WeakPolarHBondContact O-CE1 3.43Å; L310-F446 HydrophobicContact CB-CE1 3.68Å; L310-F446 HydrophobicContact CB-CZ 3.96Å; M311-F446 HydrophobicContact CB-CE1 4.42Å; M311-F446 HydrophobicContact CG-CD1 3.48Å; M311-F446 VanDerWaalsContact CG-CD1 3.48Å; M311-F446 HydrophobicContact CG-CD2 4.37Å; M311-F446 HydrophobicContact CG-CE1 3.52Å; M311-F446 HydrophobicContact CG-CE2 4.41Å; M311-F446 HydrophobicContact CG-CG 3.91Å; M311-F446 HydrophobicContact CG-CZ 3.99Å; M311-F446 HydrophobicContact SD-CD1 4.27Å; M311-F446 HydrophobicContact SD-CG 4.44Å; F421-F446 HydrophobicContact CD1-CB 4.47Å; F421-F446 AromaticContact CD1-CD2 3.44Å; F421-F446 HydrophobicContact CD1-CD2 3.44Å; F421-F446 VanDerWaalsContact CD1-CD2 3.44Å; F421-F446 AromaticContact CD1-CE2 3.79Å; F421-F446 HydrophobicContact CD1-CE2 3.79Å; F421-F446 HydrophobicContact CD1-CG 4.07Å; F421-F446 AromaticContact CE1-CD2 3.74Å; F421-F446 HydrophobicContact CE1-CD2 3.74Å; F421-F446 AromaticContact CE1-CE2 3.55Å; F421-F446 HydrophobicContact CE1-CE2 3.55Å; F421-F446 HydrophobicContact CE1-CZ 4.21Å; L422-F446 CarbonylContact O-C 3.53Å; L422-F446 WeakPolarHBondContact O-CA 3.29Å; T423-F446 HydrophobicContact CG2-CB 3.97Å; F446-A458 HydrophobicContact CD1-CB 4.13Å; F446-A458 HydrophobicContact CD2-CB 4.28Å; F446-A458 HydrophobicContact CE1-CB 3.59Å; F446-A458 HydrophobicContact CE2-CB 3.75Å; F446-A458 HydrophobicContact CG-CB 4.47Å; F446-A458 HydrophobicContact CZ-CB 3.4Å; F446-A458 PolarHBondContact N-O 3.08Å; F446-A458 PolarHBondContact O-N 3Å; F446-A458 VanDerWaalsContact O-O 3.08Å; F446-W507 AromaticContact CZ-CD1 3.93Å
447	E	98.8	Very high	97.7	Very high	24 Å²	24	34.7 Å²	34.7	11%	0.112	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.3	163.9	-68.1	178.3	146.4	0	0	108.5	F421 L422 H425 R445 F449 C456 N457	F421-E447 CarbonylContact C-O 3.46Å; F421-E447 WeakPolarHBondContact CA-O 3.43Å; L422-E447 PolarHBondContact N-O 3.28Å; L422-E447 PolarHBondContact O-N 3.04Å; H425-E447 IonicContact CE1-OE2 3.21Å; H425-E447 IonicContact NE2-OE2 3.38Å; H425-E447 PolarHBondContact NE2-OE2 2.99Å; H425-E447 VanDerWaalsContact NE2-OE2 3.13Å; R445-E447 IonicContact CZ-OE1 2.98Å; R445-E447 IonicContact NE-OE1 2.68Å; R445-E447 IonicContact NH2-OE1 3.22Å; R445-E447 PolarHBondContact NH2-OE1 3.06Å; E447-F449 HydrophobicContact CB-CD2 4.02Å; E447-F449 HydrophobicContact CB-CE2 3.56Å; E447-F449 HydrophobicContact CG-CE2 4.5Å; E447-F449 WeakPolarHBondContact OE2-CE2 3.34Å; E447-C456 CarbonylContact C-O 3.59Å; E447-C456 WeakPolarHBondContact CA-O 3.17Å; E447-N457 HydrophobicContact CG-CB 4.25Å
448	L	98.8	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.9	172.4	-179.1	70.5	0	0	0	108.7	T314 I318 F351 P419 F421 L455 C456	T314-L448 HydrophobicContact CG2-CD2 3.77Å; I318-L448 HydrophobicContact CG1-CD2 4.09Å; F351-L448 HydrophobicContact CD2-CD1 3.85Å; F351-L448 HydrophobicContact CE2-CD1 4.35Å; P419-L448 HydrophobicContact CB-CD1 4.09Å; F421-L448 HydrophobicContact CD1-CB 4.24Å; F421-L448 HydrophobicContact CD1-CD1 3.82Å; F421-L448 HydrophobicContact CE1-CB 4.23Å; F421-L448 HydrophobicContact CE1-CD1 3.76Å; F421-L448 HydrophobicContact CE1-CG 4.48Å; F421-L448 HydrophobicContact CG-CD1 4.39Å; F421-L448 HydrophobicContact CZ-CD1 4.27Å; L448-L455 HydrophobicContact CD2-CB 4.45Å; L448-L455 HydrophobicContact CD2-CD1 4.47Å; L448-L455 PolarHBondContact O-N 3.16Å; L448-C456 HydrophobicContact CB-CB 3.85Å; L448-C456 PolarHBondContact N-O 3.45Å; L448-C456 PolarHBondContact O-N 3.16Å
449	F	98.6	Very high	97.9	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.5	172	-76.3	-100.8	0	0	0	111.1	E413 C416 P419 T420 L422 E447 K453 E454	E413-F449 HydrophobicContact CB-CD1 4.26Å; E413-F449 HydrophobicContact CB-CE1 4.15Å; E413-F449 HydrophobicContact CG-CD1 3.96Å; E413-F449 HydrophobicContact CG-CE1 3.4Å; E413-F449 VanDerWaalsContact CG-CE1 3.4Å; E413-F449 HydrophobicContact CG-CZ 3.78Å; C416-F449 HydrophobicContact CB-CB 3.36Å; C416-F449 HydrophobicContact CB-CG 4.34Å; P419-F449 CarbonylContact C-O 3.49Å; P419-F449 WeakPolarHBondContact CA-O 3.46Å; T420-F449 PolarHBondContact N-O 3.12Å; T420-F449 PolarHBondContact O-N 2.97Å; L422-F449 HydrophobicContact CB-CD2 4.16Å; L422-F449 HydrophobicContact CB-CE2 4.24Å; L422-F449 HydrophobicContact CD2-CE2 3.96Å; E447-F449 HydrophobicContact CB-CD2 4.02Å; E447-F449 HydrophobicContact CB-CE2 3.56Å; E447-F449 HydrophobicContact CG-CE2 4.5Å; E447-F449 WeakPolarHBondContact OE2-CE2 3.34Å; F449-K453 WeakPolarHBondContact CA-O 3.49Å; F449-E454 HydrophobicContact CD1-CB 4.18Å; F449-E454 HydrophobicContact CE1-CB 3.68Å; F449-E454 VanDerWaalsContact CE1-N 3.35Å; F449-E454 HydrophobicContact CE2-CB 4.32Å; F449-E454 HydrophobicContact CZ-CB 3.77Å; F449-E454 HydrophobicContact CZ-CG 4.43Å
450	M	97.7	Very high	98	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.9	168	-173.3	170.9	74	0	0	108.2	I331 V345 C416 P419 H452 K453 L455 F517	I331-M450 HydrophobicContact CD1-CE 4.43Å; V345-M450 HydrophobicContact CG1-CG 3.9Å; V345-M450 HydrophobicContact CG1-SD 3.67Å; C416-M450 CarbonylContact O-C 3.56Å; P419-M450 HydrophobicContact CG-CG 4.25Å; P419-M450 HydrophobicContact CG-SD 3.72Å; M450-H452 PolarHBondContact O-N 3Å; M450-K453 PolarHBondContact N-O 2.92Å; M450-K453 PolarHBondContact O-N 3.49Å; M450-K453 VanDerWaalsContact O-O 3.1Å; M450-L455 HydrophobicContact CB-CD1 3.69Å; M450-L455 HydrophobicContact CB-CG 4.46Å; M450-L455 HydrophobicContact CE-CD1 3.97Å; M450-F517 HydrophobicContact CB-CD2 4.43Å; M450-F517 HydrophobicContact CB-CE2 4.25Å; M450-F517 HydrophobicContact CE-CB 3.39Å; M450-F517 HydrophobicContact CE-CD2 3.32Å; M450-F517 HydrophobicContact CE-CE2 4.26Å; M450-F517 HydrophobicContact CE-CG 3.68Å; M450-F517 WeakPolarHBondContact O-CE2 3.23Å; M450-F517 VanDerWaalsContact O-CZ 3.26Å; M450-F517 WeakPolarHBondContact O-CZ 3.45Å
451	L	96.4	Very high	98.1	Very high	13 Å²	13	17.6 Å²	17.6	7%	0.068	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	40.4	-177	-64.6	160.7	0	0	0	112.6	Y333 I343 V345 C416 V417 K453 F517	Y333-L451 HydrophobicContact CD1-CD1 3.43Å; Y333-L451 VanDerWaalsContact CD1-CD1 3.43Å; Y333-L451 HydrophobicContact CD1-CD2 3.48Å; Y333-L451 VanDerWaalsContact CD1-CD2 3.48Å; Y333-L451 HydrophobicContact CD1-CG 3.99Å; Y333-L451 HydrophobicContact CD2-CD1 3.65Å; Y333-L451 HydrophobicContact CE1-CB 4.47Å; Y333-L451 HydrophobicContact CE1-CD1 3.77Å; Y333-L451 HydrophobicContact CE1-CD2 4.13Å; Y333-L451 HydrophobicContact CE1-CG 4.34Å; Y333-L451 HydrophobicContact CE2-CD1 4.01Å; Y333-L451 HydrophobicContact CG-CD1 3.34Å; Y333-L451 HydrophobicContact CG-CD2 4Å; Y333-L451 HydrophobicContact CG-CG 4.28Å; I343-L451 HydrophobicContact CG2-CD2 4.22Å; V345-L451 HydrophobicContact CG2-CD1 4.17Å; V345-L451 HydrophobicContact CG2-CD2 3.59Å; V345-L451 HydrophobicContact CG2-CG 3.94Å; C416-L451 PolarHBondContact O-N 3.02Å; V417-L451 PolarHBondContact O-N 3.47Å; L451-K453 PolarHBondContact O-N 3.37Å; L451-F517 HydrophobicContact CB-CD1 4.46Å; L451-F517 HydrophobicContact CB-CE1 3.98Å; L451-F517 HydrophobicContact CB-CZ 4.06Å; L451-F517 HydrophobicContact CD1-CB 4.21Å; L451-F517 HydrophobicContact CD1-CD1 3.58Å; L451-F517 HydrophobicContact CD1-CE1 3.95Å; L451-F517 HydrophobicContact CD1-CG 3.9Å
452	H	95.5	Very high	98.2	Very high	70 Å²	70	17.7 Å²	17.7	32%	0.324	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	18.3	-179.4	-33.8	148.6	0	0	0	114.8	E413 P414 C416 V417 M450	E413-H452 WeakPolarHBondContact O-CA 3.42Å; P414-H452 PolarHBondContact O-CD2 3Å; P414-H452 PolarHBondContact O-NE2 3.01Å; C416-H452 PolarHBondContact O-N 3.11Å; V417-H452 WeakPolarHBondContact CG2-NE2 3.5Å; M450-H452 PolarHBondContact O-N 3Å
453	K	96.1	Very high	98.2	Very high	85 Å²	85	19.3 Å²	19.3	37%	0.37	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.4	172.3	-45.9	-71.2	168.5	-166	0	111.3	T290 F449 M450 L451 F517	T290-K453 HydrophobicContact CG2-CD 4.04Å; T290-K453 HydrophobicContact CG2-CG 4.2Å; F449-K453 WeakPolarHBondContact CA-O 3.49Å; M450-K453 PolarHBondContact N-O 2.92Å; M450-K453 PolarHBondContact O-N 3.49Å; M450-K453 VanDerWaalsContact O-O 3.1Å; L451-K453 PolarHBondContact O-N 3.37Å; K453-F517 HydrophobicContact CB-CE2 4.45Å; K453-F517 HydrophobicContact CB-CZ 3.78Å; K453-F517 HydrophobicContact CG-CZ 3.96Å
454	E	97.7	Very high	98.1	Very high	57 Å²	57	22.7 Å²	22.7	27%	0.266	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	130.1	173.8	178.6	-144.1	175.4	0	0	110.1	F449 R513	F449-E454 HydrophobicContact CD1-CB 4.18Å; F449-E454 HydrophobicContact CE1-CB 3.68Å; F449-E454 VanDerWaalsContact CE1-N 3.35Å; F449-E454 HydrophobicContact CE2-CB 4.32Å; F449-E454 HydrophobicContact CZ-CB 3.77Å; F449-E454 HydrophobicContact CZ-CG 4.43Å; E454-R513 WeakPolarHBondContact O-CD 3.49Å; E454-R513 PolarHBondContact O-NH1 3.45Å; E454-R513 IonicContact OE2-CZ 3.77Å; E454-R513 IonicContact OE2-NH1 3.29Å; E454-R513 PolarHBondContact OE2-NH1 2.94Å
455	L	97.7	Very high	98.1	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-45.5	172.3	-76.6	177.8	0	0	0	111.8	L448 M450 L509 G510 R513 L514 F517	L448-L455 HydrophobicContact CD2-CB 4.45Å; L448-L455 HydrophobicContact CD2-CD1 4.47Å; L448-L455 PolarHBondContact O-N 3.16Å; M450-L455 HydrophobicContact CB-CD1 3.69Å; M450-L455 HydrophobicContact CB-CG 4.46Å; M450-L455 HydrophobicContact CE-CD1 3.97Å; L455-L509 HydrophobicContact CB-CD1 4.35Å; L455-L509 WeakPolarHBondContact O-CA 3.39Å; L455-G510 PolarHBondContact O-N 3.17Å; L455-R513 HydrophobicContact CD2-CB 3.79Å; L455-L514 HydrophobicContact CD2-CB 4.19Å; L455-F517 HydrophobicContact CD1-CD2 4.03Å; L455-F517 HydrophobicContact CD1-CE2 4.13Å; L455-F517 HydrophobicContact CD2-CD2 3.66Å; L455-F517 HydrophobicContact CD2-CE2 3.58Å; L455-F517 HydrophobicContact CG-CD2 4.11Å; L455-F517 HydrophobicContact CG-CE2 3.83Å
456	C	98.4	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.1	-177.6	-48.8	0	0	0	0	111.4	E447 L448 W507 G508 L509	E447-C456 CarbonylContact C-O 3.59Å; E447-C456 WeakPolarHBondContact CA-O 3.17Å; L448-C456 HydrophobicContact CB-CB 3.85Å; L448-C456 PolarHBondContact N-O 3.45Å; L448-C456 PolarHBondContact O-N 3.16Å; C456-W507 HydrophobicContact CB-CZ2 4.23Å; C456-W507 WeakPolarHBondContact SG-CZ2 3.37Å; C456-G508 CarbonylContact C-O 3.5Å; C456-G508 WeakPolarHBondContact CA-O 3.41Å; C456-G508 WeakPolarHBondContact CB-O 3.34Å; C456-L509 VanDerWaalsContact SG-CD1 3.57Å
457	N	98.6	Very high	97.9	Very high	41 Å²	41	29.8 Å²	29.8	22%	0.219	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.1	167.1	178.2	32.2	0	0	0	108.1	R445 E447 G508	R445-N457 PolarHBondContact NE-OD1 2.94Å; E447-N457 HydrophobicContact CG-CB 4.25Å; N457-G508 PolarHBondContact N-O 3Å; N457-G508 PolarHBondContact O-N 3.17Å
458	A	98.8	Very high	97.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	151.6	-172.8	0	0	0	0	0	112.2	L310 R445 F446 G506 W507	L310-A458 HydrophobicContact CD1-CB 4.05Å; R445-A458 CarbonylContact C-O 3.59Å; R445-A458 WeakPolarHBondContact CA-O 3.33Å; R445-A458 WeakPolarHBondContact CG-O 3.35Å; F446-A458 HydrophobicContact CD1-CB 4.13Å; F446-A458 HydrophobicContact CD2-CB 4.28Å; F446-A458 HydrophobicContact CE1-CB 3.59Å; F446-A458 HydrophobicContact CE2-CB 3.75Å; F446-A458 HydrophobicContact CG-CB 4.47Å; F446-A458 HydrophobicContact CZ-CB 3.4Å; F446-A458 PolarHBondContact N-O 3.08Å; F446-A458 PolarHBondContact O-N 3Å; F446-A458 VanDerWaalsContact O-O 3.08Å; A458-G506 VanDerWaalsContact CA-O 3.23Å; A458-G506 WeakPolarHBondContact CA-O 3.38Å; A458-G506 WeakPolarHBondContact CB-O 3.24Å; A458-W507 HydrophobicContact CB-CB 4.02Å; A458-W507 VanDerWaalsContact CB-CD1 3.46Å; A458-W507 HydrophobicContact CB-CG 3.97Å
459	Y	98.8	Very high	97.8	Very high	20 Å²	20	33.4 Å²	33.4	8%	0.078	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	159.6	-179.4	34.9	-92.2	0	0	0	113.2	E261 L432 A433 E444 R445 E461 A505 G506	E261-Y459 WeakPolarHBondContact OE1-CE2 3.35Å; E261-Y459 PolarHBondContact OE1-OH 2.99Å; E261-Y459 PolarHBondContact OE2-OH 3Å; L432-Y459 HydrophobicContact CB-CE2 4.14Å; A433-Y459 HydrophobicContact CB-CD1 4.19Å; A433-Y459 HydrophobicContact CB-CD2 3.84Å; A433-Y459 HydrophobicContact CB-CG 3.63Å; E444-Y459 CarbonylContact O-C 3.49Å; E444-Y459 WeakPolarHBondContact O-CA 3.39Å; E444-Y459 VanDerWaalsContact O-CB 3.25Å; E444-Y459 WeakPolarHBondContact O-CB 3.46Å; R445-Y459 HydrophobicContact CB-CD1 4.48Å; R445-Y459 HydrophobicContact CG-CD1 4Å; Y459-E461 VanDerWaalsContact CD2-OE1 3.26Å; Y459-E461 WeakPolarHBondContact CD2-OE1 3.47Å; Y459-E461 WeakPolarHBondContact CE2-OE1 3.47Å; Y459-E461 WeakPolarHBondContact CE2-OE2 3.43Å; Y459-E461 PolarHBondContact O-N 3.13Å; Y459-A505 VanDerWaalsContact O-CA 3.3Å; Y459-A505 WeakPolarHBondContact O-CA 3.33Å; Y459-G506 PolarHBondContact N-O 3.06Å; Y459-G506 PolarHBondContact O-N 3.07Å
460	T	98.9	Very high	97.7	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	124	159	-50.5	0	0	0	0	107.5	D306 Y307 K434 E444	D306-T460 HydrophobicContact CB-CG2 4.41Å; Y307-T460 PolarHBondContact N-OG1 3.43Å; Y307-T460 VanDerWaalsContact N-OG1 3.11Å; K434-T460 HydrophobicContact CB-CG2 4.19Å; K434-T460 VanDerWaalsContact CB-O 3.26Å; K434-T460 WeakPolarHBondContact CB-O 3.48Å; K434-T460 HydrophobicContact CD-CG2 4.03Å; K434-T460 PolarHBondContact N-O 2.89Å; E444-T460 WeakPolarHBondContact CB-OG1 3.48Å; E444-T460 PolarHBondContact O-N 2.98Å; E444-T460 WeakPolarHBondContact OE2-CB 3.36Å; E444-T460 PolarHBondContact OE2-OG1 3.14Å
461	E	98.7	Very high	97.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-71.8	133.9	-172.1	-63.9	-58.5	142.2	0	0	112.1	K265 Y301 Y459 N463 L501 T504 G506	K265-E461 HydrophobicContact CD-CB 4.38Å; K265-E461 HydrophobicContact CD-CG 4.29Å; K265-E461 VanDerWaalsContact CD-OE2 3.32Å; K265-E461 WeakPolarHBondContact CD-OE2 3.37Å; K265-E461 WeakPolarHBondContact CE-OE2 3.46Å; K265-E461 IonicContact NZ-OE2 3.88Å; K265-E461 PolarHBondContact NZ-OE2 3.18Å; Y301-E461 HydrophobicContact CD1-CG 4.12Å; Y301-E461 HydrophobicContact CE1-CG 4.06Å; Y301-E461 WeakPolarHBondContact CE1-OE1 3.43Å; Y459-E461 VanDerWaalsContact CD2-OE1 3.26Å; Y459-E461 WeakPolarHBondContact CD2-OE1 3.47Å; Y459-E461 WeakPolarHBondContact CE2-OE1 3.47Å; Y459-E461 WeakPolarHBondContact CE2-OE2 3.43Å; Y459-E461 PolarHBondContact O-N 3.13Å; E461-N463 PolarHBondContact O-N 3.1Å; E461-N463 VanDerWaalsContact O-N 3.13Å; E461-L501 HydrophobicContact CB-CD2 4.34Å; E461-T504 WeakPolarHBondContact CB-O 3.21Å; E461-T504 HydrophobicContact CG-CG2 3.98Å; E461-T504 WeakPolarHBondContact CG-O 3.33Å; E461-T504 PolarHBondContact N-O 3.36Å; E461-G506 WeakPolarHBondContact OE1-CA 3.37Å; E461-G506 PolarHBondContact OE1-N 2.67Å
462	L	98.5	Very high	97.4	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.042	20%	0.195	C	C	.	.			trans	-66.6	112.9	170.1	-179.8	56.5	0	0	0	109.4	L432 D464 V467 Q468 R471	L432-L462 VanDerWaalsContact O-CB 3.23Å; L432-L462 WeakPolarHBondContact O-CB 3.35Å; L432-L462 PolarHBondContact O-N 3.03Å; L462-D464 HydrophobicContact CD1-CB 4.25Å; L462-V467 HydrophobicContact CD1-CB 4.28Å; L462-V467 HydrophobicContact CD1-CG1 4.17Å; L462-V467 HydrophobicContact CD2-CG1 4.14Å; L462-Q468 HydrophobicContact CD2-CB 3.95Å; L462-Q468 HydrophobicContact CD2-CG 4.49Å; L462-Q468 HydrophobicContact CG-CB 4.27Å; L462-R471 HydrophobicContact CD2-CG 4.22Å
463	N	98.4	Very high	97.2	Very high	35 Å²	35	40.4 Å²	40.4	19%	0.187	20%	0.201	C	C	.	.			trans	-115.8	8.2	-177.7	75	-36.8	0	0	0	113.8	K434 E461 P465 L501	K434-N463 WeakPolarHBondContact CE-OD1 3.36Å; K434-N463 PolarHBondContact NZ-OD1 3.34Å; E461-N463 PolarHBondContact O-N 3.1Å; E461-N463 VanDerWaalsContact O-N 3.13Å; N463-P465 WeakPolarHBondContact O-CD 3.44Å; N463-L501 HydrophobicContact CB-CB 3.95Å; N463-L501 HydrophobicContact CB-CD2 3.89Å; N463-L501 HydrophobicContact CB-CG 3.94Å; N463-L501 WeakPolarHBondContact CB-O 3.49Å; N463-L501 PolarHBondContact ND2-O 3.47Å
464	D	98.3	Very high	96.9	Very high	71 Å²	71	39 Å²	39	38%	0.38	20%	0.196	S	C	.	.			trans	-91.5	111.8	171	-172.4	-36.1	0	0	0	109.5	L462 V466 V467 Q468	L462-D464 HydrophobicContact CD1-CB 4.25Å; D464-V466 VanDerWaalsContact C-N 3.27Å; D464-V466 PolarHBondContact O-N 2.97Å; D464-V466 WeakPolarHBondContact OD1-CB 3.39Å; D464-V466 PolarHBondContact OD1-N 3.36Å; D464-V467 HydrophobicContact CB-CB 4.18Å; D464-V467 HydrophobicContact CB-CG2 4.13Å; D464-V467 PolarHBondContact O-N 3.49Å; D464-V467 PolarHBondContact OD1-N 3.36Å; D464-Q468 WeakPolarHBondContact O-CB 3.33Å; D464-Q468 PolarHBondContact O-N 3Å
465	P	97.7	Very high	96.5	Very high	44 Å²	44	37.3 Å²	37.3	29%	0.286	19%	0.189	S	C	.	.	H	α-helix	trans	-66.5	-25.3	-177.3	26.2	-33.9	0	0	0	113.6	N463 R469 L497	N463-P465 WeakPolarHBondContact O-CD 3.44Å; P465-R469 WeakPolarHBondContact O-CB 3.38Å; P465-R469 PolarHBondContact O-N 2.88Å; P465-R469 VanDerWaalsContact O-N 3.12Å; P465-L497 HydrophobicContact CB-CB 3.91Å
466	V	97.6	Very high	96.1	Very high	92 Å²	92	38.7 Å²	38.7	56%	0.558	20%	0.201	S	C	*	.	H	α-helix	trans	-72.3	-51.4	179.3	-179	0	0	0	0	109.3	D464 Q468 R469 E470	D464-V466 VanDerWaalsContact C-N 3.27Å; D464-V466 PolarHBondContact O-N 2.97Å; D464-V466 WeakPolarHBondContact OD1-CB 3.39Å; D464-V466 PolarHBondContact OD1-N 3.36Å; V466-Q468 VanDerWaalsContact C-N 3.33Å; V466-Q468 PolarHBondContact O-N 2.88Å; V466-R469 WeakPolarHBondContact O-CB 3.2Å; V466-R469 PolarHBondContact O-N 2.89Å; V466-E470 PolarHBondContact O-N 3.04Å; V466-E470 VanDerWaalsContact O-N 3.16Å
467	V	96.9	Very high	95.6	Very high	46 Å²	46	45.7 Å²	45.7	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-63.8	-40.5	177.3	-179.3	0	0	0	0	110.6	L462 D464 R469 E470 R471	L462-V467 HydrophobicContact CD1-CB 4.28Å; L462-V467 HydrophobicContact CD1-CG1 4.17Å; L462-V467 HydrophobicContact CD2-CG1 4.14Å; D464-V467 HydrophobicContact CB-CB 4.18Å; D464-V467 HydrophobicContact CB-CG2 4.13Å; D464-V467 PolarHBondContact O-N 3.49Å; D464-V467 PolarHBondContact OD1-N 3.36Å; V467-R469 VanDerWaalsContact C-N 3.28Å; V467-R469 PolarHBondContact O-N 2.78Å; V467-E470 WeakPolarHBondContact O-CB 3.4Å; V467-E470 PolarHBondContact O-N 2.9Å; V467-E470 VanDerWaalsContact O-N 3.16Å; V467-R471 HydrophobicContact CG1-CG 4.49Å; V467-R471 WeakPolarHBondContact O-CG 3.26Å; V467-R471 PolarHBondContact O-N 2.98Å
468	Q	97.8	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-37.7	177.6	-174.6	63.1	84.9	0	0	112.2	P431 L462 D464 V466 R471 F472 F493 L494 L497	P431-Q468 PolarHBondContact O-NE2 2.82Å; L462-Q468 HydrophobicContact CD2-CB 3.95Å; L462-Q468 HydrophobicContact CD2-CG 4.49Å; L462-Q468 HydrophobicContact CG-CB 4.27Å; D464-Q468 WeakPolarHBondContact O-CB 3.33Å; D464-Q468 PolarHBondContact O-N 3Å; V466-Q468 VanDerWaalsContact C-N 3.33Å; V466-Q468 PolarHBondContact O-N 2.88Å; Q468-R471 PolarHBondContact O-N 2.93Å; Q468-F472 HydrophobicContact CG-CD2 4.21Å; Q468-F472 HydrophobicContact CG-CE2 3.87Å; Q468-F472 HydrophobicContact CG-CZ 4.26Å; Q468-F472 PolarHBondContact O-N 2.9Å; Q468-F493 HydrophobicContact CG-CE1 4.19Å; Q468-L494 HydrophobicContact CB-CD2 3.97Å; Q468-L494 HydrophobicContact CG-CD2 3.81Å; Q468-L497 HydrophobicContact CB-CD1 3.85Å; Q468-L497 HydrophobicContact CG-CD1 3.68Å
469	R	97	Very high	94.4	Very high	101 Å²	101	50.1 Å²	50.1	38%	0.381	25%	0.25	S	S	.	.	H	α-helix	trans	-62.8	-44.5	174.7	178.9	-179.2	-74.8	-79.6	-1.5	111	P465 V466 V467 R471 F472 L473 E491 L494	P465-R469 WeakPolarHBondContact O-CB 3.38Å; P465-R469 PolarHBondContact O-N 2.88Å; P465-R469 VanDerWaalsContact O-N 3.12Å; V466-R469 WeakPolarHBondContact O-CB 3.2Å; V466-R469 PolarHBondContact O-N 2.89Å; V467-R469 VanDerWaalsContact C-N 3.28Å; V467-R469 PolarHBondContact O-N 2.78Å; R469-R471 PolarHBondContact O-N 2.79Å; R469-F472 PolarHBondContact O-N 3.04Å; R469-L473 HydrophobicContact CG-CD1 4.34Å; R469-L473 WeakPolarHBondContact O-CG 3.34Å; R469-L473 PolarHBondContact O-N 3.18Å; R469-E491 IonicContact CZ-OE1 3.66Å; R469-E491 IonicContact CZ-OE2 3.66Å; R469-E491 IonicContact NH1-OE1 3.61Å; R469-E491 PolarHBondContact NH1-OE1 2.81Å; R469-E491 IonicContact NH1-OE2 2.76Å; R469-E491 PolarHBondContact NH1-OE2 3.22Å; R469-E491 IonicContact NH2-OE1 2.67Å; R469-E491 IonicContact NH2-OE2 3.13Å; R469-E491 PolarHBondContact NH2-OE2 3.23Å; R469-L494 HydrophobicContact CB-CD1 3.95Å; R469-L494 HydrophobicContact CB-CD2 4.01Å; R469-L494 HydrophobicContact CG-CD1 4.05Å
470	E	95.2	Very high	93.9	Very high	105 Å²	105	53.6 Å²	53.6	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-58.7	-46.8	176.9	-67.5	170.1	174	0	0	111.2	V466 V467 F472 L473 E474	V466-E470 PolarHBondContact O-N 3.04Å; V466-E470 VanDerWaalsContact O-N 3.16Å; V467-E470 WeakPolarHBondContact O-CB 3.4Å; V467-E470 PolarHBondContact O-N 2.9Å; V467-E470 VanDerWaalsContact O-N 3.16Å; E470-F472 PolarHBondContact O-N 2.73Å; E470-L473 WeakPolarHBondContact O-CB 3.38Å; E470-L473 PolarHBondContact O-N 2.84Å; E470-L473 VanDerWaalsContact O-N 3.11Å; E470-E474 PolarHBondContact O-N 2.72Å
471	R	94.1	Very high	93.3	Very high	41 Å²	41	56.8 Å²	56.8	16%	0.155	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-40.4	175.3	-64.4	-65.5	-177.8	-154	-6.1	113.1	P431 L462 V467 Q468 R469 L473 E474 Q475	P431-R471 HydrophobicContact CB-CB 4.39Å; P431-R471 WeakPolarHBondContact O-CB 3.41Å; L462-R471 HydrophobicContact CD2-CG 4.22Å; V467-R471 HydrophobicContact CG1-CG 4.49Å; V467-R471 WeakPolarHBondContact O-CG 3.26Å; V467-R471 PolarHBondContact O-N 2.98Å; Q468-R471 PolarHBondContact O-N 2.93Å; R469-R471 PolarHBondContact O-N 2.79Å; R471-L473 VanDerWaalsContact C-N 3.35Å; R471-E474 IonicContact NH1-OE2 3.36Å; R471-E474 PolarHBondContact NH1-OE2 2.76Å; R471-E474 WeakPolarHBondContact O-CB 3.3Å; R471-E474 PolarHBondContact O-N 3.21Å; R471-Q475 WeakPolarHBondContact O-CG 3.32Å; R471-Q475 PolarHBondContact O-N 3.01Å
472	F	94.1	Very high	92.8	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.009	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-34.2	175.4	-77.9	-32.8	0	0	0	113.1	L432 Q468 R469 E470 E474 Q475 A476 M487 T489 F493 L494	L432-F472 HydrophobicContact CD2-CE1 3.89Å; L432-F472 HydrophobicContact CD2-CZ 4.06Å; Q468-F472 HydrophobicContact CG-CD2 4.21Å; Q468-F472 HydrophobicContact CG-CE2 3.87Å; Q468-F472 HydrophobicContact CG-CZ 4.26Å; Q468-F472 PolarHBondContact O-N 2.9Å; R469-F472 PolarHBondContact O-N 3.04Å; E470-F472 PolarHBondContact O-N 2.73Å; F472-E474 VanDerWaalsContact C-N 3.34Å; F472-Q475 PolarHBondContact O-N 2.98Å; F472-A476 WeakPolarHBondContact O-CB 3.36Å; F472-A476 PolarHBondContact O-N 3.15Å; F472-M487 HydrophobicContact CE1-SD 4.33Å; F472-T489 HydrophobicContact CB-CG2 4.05Å; F472-T489 HydrophobicContact CD2-CG2 4.37Å; F472-F493 AromaticContact CE2-CD1 3.87Å; F472-F493 HydrophobicContact CE2-CD1 3.87Å; F472-F493 HydrophobicContact CE2-CE1 4.49Å; F472-F493 AromaticContact CZ-CD1 3.87Å; F472-F493 HydrophobicContact CZ-CD1 3.87Å; F472-F493 HydrophobicContact CZ-CE1 4.3Å; F472-L494 HydrophobicContact CD2-CD1 4.12Å; F472-L494 HydrophobicContact CD2-CD2 3.89Å; F472-L494 HydrophobicContact CD2-CG 3.97Å; F472-L494 HydrophobicContact CE2-CD2 3.99Å; F472-L494 HydrophobicContact CE2-CG 4.05Å
473	L	92.2	Very high	92.2	Very high	86 Å²	86	59.6 Å²	59.6	45%	0.45	34%	0.338	S	S	.	.	H	α-helix	trans	-68.3	-35.5	175	-69.1	172.6	0	0	0	111.4	R469 E470 R471 A476 K477	R469-L473 HydrophobicContact CG-CD1 4.34Å; R469-L473 WeakPolarHBondContact O-CG 3.34Å; R469-L473 PolarHBondContact O-N 3.18Å; E470-L473 WeakPolarHBondContact O-CB 3.38Å; E470-L473 PolarHBondContact O-N 2.84Å; E470-L473 VanDerWaalsContact O-N 3.11Å; R471-L473 VanDerWaalsContact C-N 3.35Å; L473-A476 PolarHBondContact O-N 3.3Å; L473-K477 WeakPolarHBondContact O-CG 3.43Å; L473-K477 PolarHBondContact O-N 2.69Å; L473-K477 VanDerWaalsContact O-N 3.12Å
474	E	88.8	Confident	91.6	Very high	55 Å²	55	60.6 Å²	60.6	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-52	170.7	-71.3	166	-169.3	0	0	111.2	E470 R471 F472 A476 K477 D478	E470-E474 PolarHBondContact O-N 2.72Å; R471-E474 IonicContact NH1-OE2 3.36Å; R471-E474 PolarHBondContact NH1-OE2 2.76Å; R471-E474 WeakPolarHBondContact O-CB 3.3Å; R471-E474 PolarHBondContact O-N 3.21Å; F472-E474 VanDerWaalsContact C-N 3.34Å; E474-A476 VanDerWaalsContact C-N 3.28Å; E474-A476 PolarHBondContact O-N 3.27Å; E474-K477 WeakPolarHBondContact O-CA 3.16Å; E474-K477 WeakPolarHBondContact O-CB 3.48Å; E474-K477 PolarHBondContact O-N 2.93Å; E474-D478 PolarHBondContact O-N 3.31Å
475	Q	90.4	Very high	91.2	Very high	23 Å²	23	60.6 Å²	60.6	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-58	-39.3	176.6	-72.5	-70.3	-57.7	0	0	112.5	P431 R471 F472 K477 D478 K479 A486 M487	P431-Q475 HydrophobicContact CB-CG 3.9Å; P431-Q475 HydrophobicContact CG-CG 4.23Å; R471-Q475 WeakPolarHBondContact O-CG 3.32Å; R471-Q475 PolarHBondContact O-N 3.01Å; F472-Q475 PolarHBondContact O-N 2.98Å; Q475-K477 VanDerWaalsContact C-N 3.31Å; Q475-K477 PolarHBondContact O-N 3Å; Q475-D478 PolarHBondContact O-N 3.49Å; Q475-K479 WeakPolarHBondContact O-CB 3.45Å; Q475-K479 PolarHBondContact O-N 3.32Å; Q475-A486 WeakPolarHBondContact O-CB 3.37Å; Q475-M487 CarbonylContact C-O 3.58Å; Q475-M487 HydrophobicContact CB-CB 4.23Å; Q475-M487 HydrophobicContact CG-CB 4.44Å
476	A	88.8	Confident	90.7	Very high	33 Å²	33	58.7 Å²	58.7	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-64.9	-33.5	175.8	0	0	0	0	0	112.7	F472 L473 E474 A480	F472-A476 WeakPolarHBondContact O-CB 3.36Å; F472-A476 PolarHBondContact O-N 3.15Å; L473-A476 PolarHBondContact O-N 3.3Å; E474-A476 VanDerWaalsContact C-N 3.28Å; E474-A476 PolarHBondContact O-N 3.27Å; A476-A480 WeakPolarHBondContact O-CB 3.5Å; A476-A480 PolarHBondContact O-N 3.02Å
477	K	87.9	Confident	90.2	Very high	146 Å²	146	54.9 Å²	54.9	64%	0.635	31%	0.313	S	S	*	.	H	α-helix	trans	-67.7	-44.3	173	-69.4	167.7	-173	171.9	0	111.2	L473 E474 Q475 K479 A480 A481	L473-K477 WeakPolarHBondContact O-CG 3.43Å; L473-K477 PolarHBondContact O-N 2.69Å; L473-K477 VanDerWaalsContact O-N 3.12Å; E474-K477 WeakPolarHBondContact O-CA 3.16Å; E474-K477 WeakPolarHBondContact O-CB 3.48Å; E474-K477 PolarHBondContact O-N 2.93Å; Q475-K477 VanDerWaalsContact C-N 3.31Å; Q475-K477 PolarHBondContact O-N 3Å; K477-K479 VanDerWaalsContact C-N 3.3Å; K477-K479 PolarHBondContact O-N 2.95Å; K477-A480 WeakPolarHBondContact O-CB 3.33Å; K477-A480 PolarHBondContact O-N 3.41Å; K477-A480 VanDerWaalsContact O-N 3.17Å; K477-A481 PolarHBondContact O-N 3.38Å
478	D	85.6	Confident	89.8	Confident	45 Å²	45	54.7 Å²	54.7	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-41.8	176.8	-70	-20.9	0	0	0	111.2	E474 Q475 A480 A481 G482 D483 A486	E474-D478 PolarHBondContact O-N 3.31Å; Q475-D478 PolarHBondContact O-N 3.49Å; D478-A480 PolarHBondContact O-N 3.12Å; D478-A481 CarbonylContact O-C 3.57Å; D478-A481 WeakPolarHBondContact O-CA 3.4Å; D478-A481 WeakPolarHBondContact O-CB 3.32Å; D478-A481 PolarHBondContact O-N 3.26Å; D478-A481 VanDerWaalsContact O-N 3.1Å; D478-G482 PolarHBondContact O-N 3.48Å; D478-D483 HydrophobicContact CB-CB 4.33Å; D478-D483 WeakPolarHBondContact O-CB 3.17Å; D478-D483 PolarHBondContact O-N 3.32Å; D478-A486 HydrophobicContact CB-CB 4.1Å
479	K	87.7	Confident	89.5	Confident	90 Å²	90	56.3 Å²	56.3	39%	0.391	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-44.7	173.4	-171.1	172.1	-173.2	155.6	0	112.5	Q475 K477 A481 G482 D483 A486 V488	Q475-K479 WeakPolarHBondContact O-CB 3.45Å; Q475-K479 PolarHBondContact O-N 3.32Å; K477-K479 VanDerWaalsContact C-N 3.3Å; K477-K479 PolarHBondContact O-N 2.95Å; K479-A481 PolarHBondContact O-N 3.35Å; K479-G482 PolarHBondContact O-N 3.14Å; K479-D483 WeakPolarHBondContact CA-O 3.28Å; K479-A486 HydrophobicContact CB-CB 3.9Å; K479-V488 HydrophobicContact CD-CG1 3.62Å
480	A	88.2	Confident	89.4	Confident	92 Å²	92	52.5 Å²	52.5	76%	0.76	31%	0.309	S	S	*	.	H	α-helix	trans	-64.5	-26.5	176	0	0	0	0	0	112.5	A476 K477 D478 G482	A476-A480 WeakPolarHBondContact O-CB 3.5Å; A476-A480 PolarHBondContact O-N 3.02Å; K477-A480 WeakPolarHBondContact O-CB 3.33Å; K477-A480 PolarHBondContact O-N 3.41Å; K477-A480 VanDerWaalsContact O-N 3.17Å; D478-A480 PolarHBondContact O-N 3.12Å; A480-G482 VanDerWaalsContact C-N 3.26Å; A480-G482 PolarHBondContact O-N 2.98Å
481	A	85.7	Confident	89.4	Confident	77 Å²	77	51.6 Å²	51.6	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-0.6	173	0	0	0	0	0	113.9	K477 D478 K479	K477-A481 PolarHBondContact O-N 3.38Å; D478-A481 CarbonylContact O-C 3.57Å; D478-A481 WeakPolarHBondContact O-CA 3.4Å; D478-A481 WeakPolarHBondContact O-CB 3.32Å; D478-A481 PolarHBondContact O-N 3.26Å; D478-A481 VanDerWaalsContact O-N 3.1Å; K479-A481 PolarHBondContact O-N 3.35Å
482	G	87.5	Confident	89.4	Confident	52 Å²	52	56.2 Å²	56.2	54%	0.536	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.4	5	173.4	0	0	0	0	0	115.2	D478 K479 A480 A484	D478-G482 PolarHBondContact O-N 3.48Å; K479-G482 PolarHBondContact O-N 3.14Å; A480-G482 VanDerWaalsContact C-N 3.26Å; A480-G482 PolarHBondContact O-N 2.98Å; G482-A484 PolarHBondContact O-N 3.4Å; G482-A484 VanDerWaalsContact O-N 3.14Å
483	D	85.9	Confident	89.6	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.08	33%	0.328	C	S	.	.			trans	-73	104.7	173.4	-163.9	-21.1	0	0	0	110.6	P397 D478 K479 E485 A486	P397-D483 HydrophobicContact CG-CB 3.85Å; D478-D483 HydrophobicContact CB-CB 4.33Å; D478-D483 WeakPolarHBondContact O-CB 3.17Å; D478-D483 PolarHBondContact O-N 3.32Å; K479-D483 WeakPolarHBondContact CA-O 3.28Å; D483-E485 PolarHBondContact O-N 3.22Å; D483-E485 PolarHBondContact OD1-N 3.15Å; D483-A486 HydrophobicContact CB-CB 3.93Å; D483-A486 PolarHBondContact O-N 3.08Å
484	A	86.9	Confident	89.8	Confident	56 Å²	56	52.4 Å²	52.4	46%	0.463	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.6	-178.1	0	0	0	0	0	113.6	K241 G482	K241-A484 HydrophobicContact CD-CB 4.33Å; G482-A484 PolarHBondContact O-N 3.4Å; G482-A484 VanDerWaalsContact O-N 3.14Å
485	E	88.3	Confident	90.3	Very high	71 Å²	71	53.8 Å²	53.8	33%	0.332	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.9	-178.8	-67.5	166.7	-174.2	0	0	112.1	A239 A240 R402 D483	A239-E485 CarbonylContact C-O 3.59Å; A239-E485 VanDerWaalsContact CA-O 3.29Å; A239-E485 WeakPolarHBondContact CA-O 2.92Å; A239-E485 HydrophobicContact CB-CB 4.48Å; A240-E485 PolarHBondContact N-O 3.22Å; A240-E485 VanDerWaalsContact N-O 3.15Å; R402-E485 IonicContact NH1-OE2 2.71Å; D483-E485 PolarHBondContact O-N 3.22Å; D483-E485 PolarHBondContact OD1-N 3.15Å
486	A	87.6	Confident	90.6	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.041	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65	142.1	-179.4	0	0	0	0	0	113.1	Q475 D478 K479 D483	Q475-A486 WeakPolarHBondContact O-CB 3.37Å; D478-A486 HydrophobicContact CB-CB 4.1Å; K479-A486 HydrophobicContact CB-CB 3.9Å; D483-A486 HydrophobicContact CB-CB 3.93Å; D483-A486 PolarHBondContact O-N 3.08Å
487	M	88.5	Confident	91.1	Very high	12 Å²	12	52 Å²	52	6%	0.059	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-72.3	156.3	-176.6	-58.1	-177.9	-169.1	0	0	111.9	P431 L432 F472 Q475	P431-M487 HydrophobicContact CG-CE 3.97Å; P431-M487 HydrophobicContact CG-SD 4.27Å; L432-M487 HydrophobicContact CD1-CE 3.78Å; L432-M487 HydrophobicContact CD1-SD 4.01Å; L432-M487 HydrophobicContact CD2-SD 4.49Å; L432-M487 HydrophobicContact CG-CE 4.25Å; L432-M487 HydrophobicContact CG-SD 4.26Å; F472-M487 HydrophobicContact CE1-SD 4.33Å; Q475-M487 CarbonylContact C-O 3.58Å; Q475-M487 HydrophobicContact CB-CB 4.23Å; Q475-M487 HydrophobicContact CG-CB 4.44Å
488	V	88.3	Confident	91.5	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.255	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-99.9	157.9	167.5	-61	0	0	0	0	110.2	I234 K479 D490	I234-V488 HydrophobicContact CB-CG2 4.35Å; I234-V488 HydrophobicContact CG1-CG2 4.45Å; I234-V488 HydrophobicContact CG2-CG2 3.21Å; K479-V488 HydrophobicContact CD-CG1 3.62Å; V488-D490 PolarHBondContact O-N 2.85Å
489	T	91.5	Very high	92.2	Very high	34 Å²	34	54.8 Å²	54.8	21%	0.209	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-65.8	120.5	175.4	-48.1	0	0	0	0	111	F472 L494	F472-T489 HydrophobicContact CB-CG2 4.05Å; F472-T489 HydrophobicContact CD2-CG2 4.37Å; T489-L494 HydrophobicContact CG2-CD1 3.99Å
490	D	94.1	Very high	92.7	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.107	33%	0.334	C	S	.	.			trans	-101.4	97.7	173.7	-171.4	-25	0	0	0	110.2	L262 V488 Q492 F493 L494	L262-D490 HydrophobicContact CD1-CB 4.43Å; V488-D490 PolarHBondContact O-N 2.85Å; D490-Q492 VanDerWaalsContact C-N 3.28Å; D490-Q492 PolarHBondContact O-N 3.46Å; D490-Q492 WeakPolarHBondContact OD1-CB 3.29Å; D490-Q492 PolarHBondContact OD1-N 2.89Å; D490-F493 HydrophobicContact CB-CB 3.95Å; D490-F493 PolarHBondContact O-N 2.79Å; D490-F493 PolarHBondContact OD1-N 3.37Å; D490-L494 WeakPolarHBondContact O-CG 3.47Å; D490-L494 PolarHBondContact O-N 2.74Å
491	E	95.3	Very high	93.2	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-67.4	-27	179.6	-69.1	-65.3	160.2	0	0	113	R469 T495	R469-E491 IonicContact CZ-OE1 3.66Å; R469-E491 IonicContact CZ-OE2 3.66Å; R469-E491 IonicContact NH1-OE1 3.61Å; R469-E491 PolarHBondContact NH1-OE1 2.81Å; R469-E491 IonicContact NH1-OE2 2.76Å; R469-E491 PolarHBondContact NH1-OE2 3.22Å; R469-E491 IonicContact NH2-OE1 2.67Å; R469-E491 IonicContact NH2-OE2 3.13Å; R469-E491 PolarHBondContact NH2-OE2 3.23Å; E491-T495 WeakPolarHBondContact O-CB 3.46Å; E491-T495 PolarHBondContact O-N 2.98Å; E491-T495 PolarHBondContact O-OG1 2.8Å
492	Q	95.2	Very high	93.8	Very high	138 Å²	138	46.1 Å²	46.1	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-70.8	-43.9	176.9	-65	-175.9	-5.5	0	0	110.1	D490 T495 A496	D490-Q492 VanDerWaalsContact C-N 3.28Å; D490-Q492 PolarHBondContact O-N 3.46Å; D490-Q492 WeakPolarHBondContact OD1-CB 3.29Å; D490-Q492 PolarHBondContact OD1-N 2.89Å; Q492-T495 WeakPolarHBondContact O-CB 3.24Å; Q492-T495 PolarHBondContact O-N 3.39Å; Q492-A496 PolarHBondContact O-N 2.92Å
493	F	97.2	Very high	94.3	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-42.6	174.8	179.9	-109.9	0	0	0	112.3	L262 K265 M266 Q468 F472 D490 T495 A496 L497	L262-F493 HydrophobicContact CB-CD2 3.97Å; L262-F493 HydrophobicContact CB-CE2 4.35Å; L262-F493 HydrophobicContact CB-CG 4.33Å; L262-F493 HydrophobicContact CD1-CG 4.46Å; L262-F493 HydrophobicContact CD2-CD1 3.9Å; L262-F493 HydrophobicContact CD2-CD2 4.14Å; L262-F493 HydrophobicContact CD2-CE1 3.8Å; L262-F493 HydrophobicContact CD2-CE2 4.07Å; L262-F493 HydrophobicContact CD2-CG 4.07Å; L262-F493 HydrophobicContact CD2-CZ 3.91Å; K265-F493 HydrophobicContact CB-CE2 3.79Å; K265-F493 HydrophobicContact CB-CZ 4.31Å; K265-F493 HydrophobicContact CD-CE2 4.2Å; K265-F493 HydrophobicContact CD-CZ 3.86Å; M266-F493 HydrophobicContact CG-CD2 4.13Å; Q468-F493 HydrophobicContact CG-CE1 4.19Å; F472-F493 AromaticContact CE2-CD1 3.87Å; F472-F493 HydrophobicContact CE2-CD1 3.87Å; F472-F493 HydrophobicContact CE2-CE1 4.49Å; F472-F493 AromaticContact CZ-CD1 3.87Å; F472-F493 HydrophobicContact CZ-CD1 3.87Å; F472-F493 HydrophobicContact CZ-CE1 4.3Å; D490-F493 HydrophobicContact CB-CB 3.95Å; D490-F493 PolarHBondContact O-N 2.79Å; D490-F493 PolarHBondContact OD1-N 3.37Å; F493-T495 VanDerWaalsContact C-N 3.31Å; F493-T495 PolarHBondContact O-N 2.93Å; F493-A496 WeakPolarHBondContact O-CB 3.28Å; F493-A496 PolarHBondContact O-N 2.8Å; F493-L497 HydrophobicContact CD1-CD1 4.13Å; F493-L497 HydrophobicContact CD1-CG 4.46Å; F493-L497 HydrophobicContact CE1-CD1 3.52Å; F493-L497 HydrophobicContact CE1-CG 3.97Å; F493-L497 HydrophobicContact CE2-CD2 4.42Å; F493-L497 HydrophobicContact CE2-CG 4.29Å; F493-L497 HydrophobicContact CZ-CD1 3.84Å; F493-L497 HydrophobicContact CZ-CD2 3.98Å; F493-L497 HydrophobicContact CZ-CG 3.85Å; F493-L497 PolarHBondContact O-N 2.68Å
494	L	97.4	Very high	94.9	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-40.6	174.2	-71.7	175.5	0	0	0	112.1	Q468 R469 F472 T489 D490 A496 L497 G498	Q468-L494 HydrophobicContact CB-CD2 3.97Å; Q468-L494 HydrophobicContact CG-CD2 3.81Å; R469-L494 HydrophobicContact CB-CD1 3.95Å; R469-L494 HydrophobicContact CB-CD2 4.01Å; R469-L494 HydrophobicContact CG-CD1 4.05Å; F472-L494 HydrophobicContact CD2-CD1 4.12Å; F472-L494 HydrophobicContact CD2-CD2 3.89Å; F472-L494 HydrophobicContact CD2-CG 3.97Å; F472-L494 HydrophobicContact CE2-CD2 3.99Å; F472-L494 HydrophobicContact CE2-CG 4.05Å; T489-L494 HydrophobicContact CG2-CD1 3.99Å; D490-L494 WeakPolarHBondContact O-CG 3.47Å; D490-L494 PolarHBondContact O-N 2.74Å; L494-A496 VanDerWaalsContact C-N 3.35Å; L494-L497 PolarHBondContact O-N 3.05Å; L494-G498 PolarHBondContact O-N 3.44Å; L494-G498 VanDerWaalsContact O-N 3.1Å
495	T	98	Very high	95.5	Very high	83 Å²	83	43.7 Å²	43.7	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-45.2	174.5	-60	0	0	0	0	110.7	E491 Q492 F493 G498 Y499	E491-T495 WeakPolarHBondContact O-CB 3.46Å; E491-T495 PolarHBondContact O-N 2.98Å; E491-T495 PolarHBondContact O-OG1 2.8Å; Q492-T495 WeakPolarHBondContact O-CB 3.24Å; Q492-T495 PolarHBondContact O-N 3.39Å; F493-T495 VanDerWaalsContact C-N 3.31Å; F493-T495 PolarHBondContact O-N 2.93Å; T495-G498 WeakPolarHBondContact O-CA 3.44Å; T495-G498 PolarHBondContact O-N 2.77Å; T495-Y499 HydrophobicContact CG2-CE2 4.15Å; T495-Y499 WeakPolarHBondContact O-CD2 3.43Å; T495-Y499 PolarHBondContact O-N 2.81Å
496	A	98	Very high	96	Very high	16 Å²	16	40.3 Å²	40.3	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-43.9	177.5	0	0	0	0	0	112.1	M266 I269 Q492 F493 L494 G498 Y499	M266-A496 HydrophobicContact CG-CB 3.7Å; M266-A496 HydrophobicContact SD-CB 3.92Å; I269-A496 HydrophobicContact CD1-CB 3.92Å; I269-A496 WeakPolarHBondContact CD1-O 3.39Å; Q492-A496 PolarHBondContact O-N 2.92Å; F493-A496 WeakPolarHBondContact O-CB 3.28Å; F493-A496 PolarHBondContact O-N 2.8Å; L494-A496 VanDerWaalsContact C-N 3.35Å; A496-G498 PolarHBondContact O-N 3.33Å; A496-Y499 WeakPolarHBondContact O-CB 3.45Å; A496-Y499 PolarHBondContact O-N 3.34Å
497	L	97.9	Very high	96.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-33.4	172.7	-75.2	179.8	0	0	0	112.3	I269 P465 Q468 F493 L494 Y499 G500 L501	I269-L497 HydrophobicContact CD1-CD2 4.36Å; P465-L497 HydrophobicContact CB-CB 3.91Å; Q468-L497 HydrophobicContact CB-CD1 3.85Å; Q468-L497 HydrophobicContact CG-CD1 3.68Å; F493-L497 HydrophobicContact CD1-CD1 4.13Å; F493-L497 HydrophobicContact CD1-CG 4.46Å; F493-L497 HydrophobicContact CE1-CD1 3.52Å; F493-L497 HydrophobicContact CE1-CG 3.97Å; F493-L497 HydrophobicContact CE2-CD2 4.42Å; F493-L497 HydrophobicContact CE2-CG 4.29Å; F493-L497 HydrophobicContact CZ-CD1 3.84Å; F493-L497 HydrophobicContact CZ-CD2 3.98Å; F493-L497 HydrophobicContact CZ-CG 3.85Å; F493-L497 PolarHBondContact O-N 2.68Å; L494-L497 PolarHBondContact O-N 3.05Å; L497-Y499 PolarHBondContact O-N 3.29Å; L497-G500 WeakPolarHBondContact O-CA 3.4Å; L497-G500 PolarHBondContact O-N 2.86Å; L497-L501 HydrophobicContact CD2-CB 3.68Å; L497-L501 HydrophobicContact CD2-CD2 3.61Å; L497-L501 HydrophobicContact CD2-CG 4.29Å
498	G	97.8	Very high	97	Very high	57 Å²	57	40.3 Å²	40.3	59%	0.588	24%	0.236	S	C	*	.	H	α-helix	trans	-63	-21.5	174.1	0	0	0	0	0	114.9	L494 T495 A496 G500	L494-G498 PolarHBondContact O-N 3.44Å; L494-G498 VanDerWaalsContact O-N 3.1Å; T495-G498 WeakPolarHBondContact O-CA 3.44Å; T495-G498 PolarHBondContact O-N 2.77Å; A496-G498 PolarHBondContact O-N 3.33Å; G498-G500 VanDerWaalsContact C-N 3.28Å
499	Y	98.4	Very high	97.5	Very high	193 Å²	193	38.4 Å²	38.4	76%	0.757	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8	170.7	-76.6	-89.5	0	0	0	113.2	T495 A496 L497	T495-Y499 HydrophobicContact CG2-CE2 4.15Å; T495-Y499 WeakPolarHBondContact O-CD2 3.43Å; T495-Y499 PolarHBondContact O-N 2.81Å; A496-Y499 WeakPolarHBondContact O-CB 3.45Å; A496-Y499 PolarHBondContact O-N 3.34Å; L497-Y499 PolarHBondContact O-N 3.29Å
500	G	98.1	Very high	97.8	Very high	43 Å²	43	37.5 Å²	37.5	44%	0.443	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	98	100.4	174.2	0	0	0	0	0	113	L497 G498 P502	L497-G500 WeakPolarHBondContact O-CA 3.4Å; L497-G500 PolarHBondContact O-N 2.86Å; G498-G500 VanDerWaalsContact C-N 3.28Å; G500-P502 WeakPolarHBondContact O-CD 3.4Å
501	L	98.7	Very high	98	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-81.7	117.6	163.7	173.6	63.8	0	0	0	108.7	K265 I268 I269 E461 N463 L497	K265-L501 HydrophobicContact CB-CD2 4.43Å; K265-L501 HydrophobicContact CD-CD2 3.88Å; K265-L501 HydrophobicContact CG-CD2 4.2Å; I268-L501 HydrophobicContact CB-CD1 3.76Å; I268-L501 HydrophobicContact CG2-CD1 3.75Å; I269-L501 HydrophobicContact CD1-CB 4.12Å; I269-L501 HydrophobicContact CG1-CB 3.73Å; I269-L501 HydrophobicContact CG1-CD1 4.01Å; I269-L501 HydrophobicContact CG1-CG 4.47Å; E461-L501 HydrophobicContact CB-CD2 4.34Å; N463-L501 HydrophobicContact CB-CB 3.95Å; N463-L501 HydrophobicContact CB-CD2 3.89Å; N463-L501 HydrophobicContact CB-CG 3.94Å; N463-L501 WeakPolarHBondContact CB-O 3.49Å; N463-L501 PolarHBondContact ND2-O 3.47Å; L497-L501 HydrophobicContact CD2-CB 3.68Å; L497-L501 HydrophobicContact CD2-CD2 3.61Å; L497-L501 HydrophobicContact CD2-CG 4.29Å
502	P	98.6	Very high	98.2	Very high	28 Å²	28	32.7 Å²	32.7	18%	0.182	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-51.8	155.8	170.6	-26.3	34.2	0	0	0	111.6	I268 A303 Y304 G500 T504	I268-P502 HydrophobicContact CG2-CG 4.4Å; A303-P502 HydrophobicContact CB-CB 4.46Å; Y304-P502 HydrophobicContact CE1-CB 4.15Å; G500-P502 WeakPolarHBondContact O-CD 3.4Å; P502-T504 WeakPolarHBondContact O-CB 3.31Å; P502-T504 PolarHBondContact O-N 2.7Å; P502-T504 PolarHBondContact O-OG1 2.94Å
503	P	98.7	Very high	98.3	Very high	72 Å²	72	28 Å²	28	47%	0.468	18%	0.175	S	C	.	.	S	Bend	trans	-49.5	120	167.1	-23.2	33.5	0	0	0	108.6	Y304	Y304-P503 WeakPolarHBondContact CA-O 3.48Å; Y304-P503 PolarHBondContact N-O 2.77Å
504	T	98.8	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.9	-169	-61.4	0	0	0	0	107.5	I268 Y301 M302 A305 E461 P502	I268-T504 HydrophobicContact CG1-CG2 4.2Å; I268-T504 HydrophobicContact CG2-CG2 4.42Å; Y301-T504 HydrophobicContact CD1-CG2 4.25Å; M302-T504 WeakPolarHBondContact O-CA 3.5Å; A305-T504 CarbonylContact O-C 3.58Å; E461-T504 WeakPolarHBondContact CB-O 3.21Å; E461-T504 HydrophobicContact CG-CG2 3.98Å; E461-T504 WeakPolarHBondContact CG-O 3.33Å; E461-T504 PolarHBondContact N-O 3.36Å; P502-T504 WeakPolarHBondContact O-CB 3.31Å; P502-T504 PolarHBondContact O-N 2.7Å; P502-T504 PolarHBondContact O-OG1 2.94Å
505	A	98.9	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.4	166	0	0	0	0	0	109.5	M302 A305 L310 Y459	M302-A505 PolarHBondContact N-O 3.42Å; M302-A505 PolarHBondContact O-N 3.41Å; M302-A505 VanDerWaalsContact O-N 3.1Å; A305-A505 HydrophobicContact CB-CB 4.11Å; A305-A505 WeakPolarHBondContact O-CB 3.47Å; A305-A505 PolarHBondContact O-N 3.23Å; L310-A505 HydrophobicContact CD1-CB 3.37Å; L310-A505 HydrophobicContact CD2-CB 4.16Å; L310-A505 HydrophobicContact CG-CB 3.58Å; Y459-A505 VanDerWaalsContact O-CA 3.3Å; Y459-A505 WeakPolarHBondContact O-CA 3.33Å
506	G	98.7	Very high	98.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	154.3	178.6	0	0	0	0	0	111.5	F300 L310 A458 Y459 E461	F300-G506 WeakPolarHBondContact O-CA 3.46Å; L310-G506 WeakPolarHBondContact CD1-O 3.35Å; A458-G506 VanDerWaalsContact CA-O 3.23Å; A458-G506 WeakPolarHBondContact CA-O 3.38Å; A458-G506 WeakPolarHBondContact CB-O 3.24Å; Y459-G506 PolarHBondContact N-O 3.06Å; Y459-G506 PolarHBondContact O-N 3.07Å; E461-G506 WeakPolarHBondContact OE1-CA 3.37Å; E461-G506 PolarHBondContact OE1-N 2.67Å
507	W	98.8	Very high	98.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.5	-172.9	-175.7	101.8	0	0	0	110.4	E299 F300 L310 T314 L317 F446 C456 A458 L509	E299-W507 CarbonylContact C-O 3.48Å; E299-W507 WeakPolarHBondContact CA-O 3.39Å; F300-W507 HydrophobicContact CD1-CB 3.98Å; F300-W507 AromaticContact CD1-CD2 3.89Å; F300-W507 HydrophobicContact CD1-CD2 3.89Å; F300-W507 AromaticContact CD1-CE3 3.37Å; F300-W507 HydrophobicContact CD1-CE3 3.37Å; F300-W507 HydrophobicContact CD1-CG 4.19Å; F300-W507 AromaticContact CD1-CZ3 3.86Å; F300-W507 HydrophobicContact CD1-CZ3 3.86Å; F300-W507 HydrophobicContact CD2-CB 4.19Å; F300-W507 HydrophobicContact CE1-CB 3.58Å; F300-W507 AromaticContact CE1-CD2 3.31Å; F300-W507 HydrophobicContact CE1-CD2 3.31Å; F300-W507 AromaticContact CE1-CE2 3.99Å; F300-W507 AromaticContact CE1-CE3 3.26Å; F300-W507 HydrophobicContact CE1-CE3 3.26Å; F300-W507 AromaticContact CE1-CG 3.49Å; F300-W507 HydrophobicContact CE1-CG 3.49Å; F300-W507 VanDerWaalsContact CE1-CG 3.49Å; F300-W507 HydrophobicContact CE1-CH2 4.31Å; F300-W507 HydrophobicContact CE1-CZ2 4.46Å; F300-W507 AromaticContact CE1-CZ3 3.79Å; F300-W507 HydrophobicContact CE1-CZ3 3.79Å; F300-W507 HydrophobicContact CE2-CB 3.82Å; F300-W507 HydrophobicContact CE2-CG 4.45Å; F300-W507 HydrophobicContact CG-CB 4.27Å; F300-W507 HydrophobicContact CG-CE3 4.47Å; F300-W507 HydrophobicContact CZ-CB 3.48Å; F300-W507 VanDerWaalsContact CZ-CB 3.48Å; F300-W507 AromaticContact CZ-CD2 3.97Å; F300-W507 HydrophobicContact CZ-CD2 3.97Å; F300-W507 HydrophobicContact CZ-CE3 4.3Å; F300-W507 AromaticContact CZ-CG 3.64Å; F300-W507 HydrophobicContact CZ-CG 3.64Å; F300-W507 PolarHBondContact N-O 2.98Å; F300-W507 PolarHBondContact O-N 3.28Å; L310-W507 HydrophobicContact CD1-CB 4.11Å; T314-W507 PolarHBondContact OG1-NE1 3.19Å; L317-W507 HydrophobicContact CD2-CH2 3.66Å; L317-W507 HydrophobicContact CD2-CZ2 4.03Å; F446-W507 AromaticContact CZ-CD1 3.93Å; C456-W507 HydrophobicContact CB-CZ2 4.23Å; C456-W507 WeakPolarHBondContact SG-CZ2 3.37Å; A458-W507 HydrophobicContact CB-CB 4.02Å; A458-W507 VanDerWaalsContact CB-CD1 3.46Å; A458-W507 HydrophobicContact CB-CG 3.97Å; W507-L509 HydrophobicContact CE3-CB 4.04Å; W507-L509 HydrophobicContact CH2-CB 3.07Å; W507-L509 HydrophobicContact CH2-CD1 4.44Å; W507-L509 HydrophobicContact CH2-CD2 3.54Å; W507-L509 HydrophobicContact CH2-CG 3.82Å; W507-L509 HydrophobicContact CZ2-CB 3.75Å; W507-L509 HydrophobicContact CZ2-CD2 4.42Å; W507-L509 HydrophobicContact CZ2-CG 4.49Å; W507-L509 HydrophobicContact CZ3-CB 3.2Å; W507-L509 HydrophobicContact CZ3-CD2 4.19Å; W507-L509 HydrophobicContact CZ3-CG 4.3Å
508	G	98.6	Very high	98.3	Very high	15 Å²	15	23.5 Å²	23.5	16%	0.155	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.4	172.4	0	0	0	0	0	112.5	C298 C456 N457	C298-G508 CarbonylContact O-C 3.53Å; C298-G508 WeakPolarHBondContact O-CA 3.22Å; C456-G508 CarbonylContact C-O 3.5Å; C456-G508 WeakPolarHBondContact CA-O 3.41Å; C456-G508 WeakPolarHBondContact CB-O 3.34Å; N457-G508 PolarHBondContact N-O 3Å; N457-G508 PolarHBondContact O-N 3.17Å
509	L	98.7	Very high	98.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.5	176.2	163.8	74.2	0	0	0	112.1	V214 S297 C298 L455 C456 W507 I511 L514	V214-L509 HydrophobicContact CG2-CD2 4.49Å; S297-L509 CarbonylContact C-O 3.51Å; S297-L509 VanDerWaalsContact CA-O 3.22Å; S297-L509 WeakPolarHBondContact CA-O 3.37Å; C298-L509 PolarHBondContact N-O 3.18Å; C298-L509 PolarHBondContact O-N 3.11Å; L455-L509 HydrophobicContact CB-CD1 4.35Å; L455-L509 WeakPolarHBondContact O-CA 3.39Å; C456-L509 VanDerWaalsContact SG-CD1 3.57Å; W507-L509 HydrophobicContact CE3-CB 4.04Å; W507-L509 HydrophobicContact CH2-CB 3.07Å; W507-L509 HydrophobicContact CH2-CD1 4.44Å; W507-L509 HydrophobicContact CH2-CD2 3.54Å; W507-L509 HydrophobicContact CH2-CG 3.82Å; W507-L509 HydrophobicContact CZ2-CB 3.75Å; W507-L509 HydrophobicContact CZ2-CD2 4.42Å; W507-L509 HydrophobicContact CZ2-CG 4.49Å; W507-L509 HydrophobicContact CZ3-CB 3.2Å; W507-L509 HydrophobicContact CZ3-CD2 4.19Å; W507-L509 HydrophobicContact CZ3-CG 4.3Å; L509-I511 HydrophobicContact CD2-CD1 3.72Å; L509-I511 HydrophobicContact CG-CD1 4.16Å; L509-I511 PolarHBondContact O-N 3.18Å; L509-L514 HydrophobicContact CD1-CB 4.23Å; L509-L514 HydrophobicContact CD1-CD2 4.14Å; L509-L514 HydrophobicContact CD2-CD2 3.77Å; L509-L514 HydrophobicContact CG-CD2 4.45Å
510	G	98.3	Very high	98.2	Very high	15 Å²	15	15.4 Å²	15.4	16%	0.155	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	99.4	169.1	0	0	0	0	0	112.3	L455 D512 R513 L514	L455-G510 PolarHBondContact O-N 3.17Å; G510-D512 VanDerWaalsContact C-N 3.28Å; G510-D512 PolarHBondContact O-N 3.39Å; G510-R513 PolarHBondContact O-N 3.11Å; G510-L514 PolarHBondContact O-N 3.21Å
511	I	98.7	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.2	-36.1	-178.1	-60.3	-66.7	0	0	0	111.4	R207 I211 V214 T296 C298 L509 T515	R207-I511 PolarHBondContact NH1-O 3.4Å; I211-I511 HydrophobicContact CD1-CG2 4.23Å; I211-I511 HydrophobicContact CG1-CG2 3.84Å; V214-I511 HydrophobicContact CG2-CD1 4.45Å; T296-I511 HydrophobicContact CG2-CB 4.24Å; T296-I511 HydrophobicContact CG2-CG1 4.19Å; T296-I511 WeakPolarHBondContact O-CB 3.47Å; T296-I511 PolarHBondContact O-N 3.28Å; C298-I511 HydrophobicContact CB-CD1 4.05Å; C298-I511 HydrophobicContact CB-CG1 4.36Å; L509-I511 HydrophobicContact CD2-CD1 3.72Å; L509-I511 HydrophobicContact CG-CD1 4.16Å; L509-I511 PolarHBondContact O-N 3.18Å; I511-T515 WeakPolarHBondContact O-CB 3.48Å; I511-T515 PolarHBondContact O-N 2.89Å; I511-T515 PolarHBondContact O-OG1 2.75Å
512	D	98.5	Very high	97.8	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.027	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-51.3	177	-60.2	-95.8	0	0	0	111.7	R207 T296 G510 L514 T515 M516 I524 V527 I528	R207-D512 IonicContact CZ-OD1 3.61Å; R207-D512 IonicContact CZ-OD2 3.78Å; R207-D512 IonicContact NH1-OD1 3.9Å; R207-D512 PolarHBondContact NH1-OD1 2.87Å; R207-D512 IonicContact NH1-OD2 2.75Å; R207-D512 IonicContact NH2-OD1 3.63Å; R207-D512 PolarHBondContact NH2-OD1 3.05Å; R207-D512 IonicContact NH2-OD2 2.85Å; R207-D512 PolarHBondContact NH2-OD2 3.49Å; R207-D512 VanDerWaalsContact NH2-OD2 3.14Å; T296-D512 WeakPolarHBondContact CA-OD2 3.38Å; T296-D512 WeakPolarHBondContact CB-OD2 3.41Å; T296-D512 PolarHBondContact N-OD2 3.08Å; G510-D512 VanDerWaalsContact C-N 3.28Å; G510-D512 PolarHBondContact O-N 3.39Å; D512-L514 PolarHBondContact O-N 3.16Å; D512-T515 WeakPolarHBondContact O-CB 3.37Å; D512-T515 PolarHBondContact O-N 3.5Å; D512-T515 VanDerWaalsContact O-N 3.16Å; D512-M516 WeakPolarHBondContact O-CG 3.46Å; D512-M516 PolarHBondContact O-N 2.94Å; D512-I524 HydrophobicContact CB-CD1 3.76Å; D512-I524 HydrophobicContact CB-CG1 3.96Å; D512-V527 HydrophobicContact CB-CG2 4.44Å; D512-I528 WeakPolarHBondContact OD1-CG1 3.39Å
513	R	97.8	Very high	97.7	Very high	39 Å²	39	15.2 Å²	15.2	15%	0.147	9%	0.09	C	C	.	.	H	α-helix	trans	-63	-41.3	176.8	-66.6	-177.9	-175.6	162.3	-0.6	112.1	H291 E454 L455 G510 T515 M516 F517	H291-R513 PolarHBondContact NE2-NH2 2.84Å; E454-R513 WeakPolarHBondContact O-CD 3.49Å; E454-R513 PolarHBondContact O-NH1 3.45Å; E454-R513 IonicContact OE2-CZ 3.77Å; E454-R513 IonicContact OE2-NH1 3.29Å; E454-R513 PolarHBondContact OE2-NH1 2.94Å; L455-R513 HydrophobicContact CD2-CB 3.79Å; G510-R513 PolarHBondContact O-N 3.11Å; R513-T515 VanDerWaalsContact C-N 3.32Å; R513-T515 PolarHBondContact O-N 2.94Å; R513-M516 WeakPolarHBondContact O-CB 3.37Å; R513-M516 PolarHBondContact O-N 3.22Å; R513-M516 VanDerWaalsContact O-N 3.12Å; R513-F517 WeakPolarHBondContact O-CD2 3.34Å; R513-F517 WeakPolarHBondContact O-CG 3.05Å; R513-F517 PolarHBondContact O-N 2.89Å
514	L	98.2	Very high	97.6	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-44.9	173.4	-179.6	61.9	0	0	0	111.5	I210 I318 L321 L455 L509 G510 D512 M516 F517 L518	I210-L514 HydrophobicContact CG2-CD2 3.8Å; I210-L514 HydrophobicContact CG2-CG 4.39Å; I318-L514 HydrophobicContact CD1-CD1 4.24Å; I318-L514 HydrophobicContact CD1-CD2 4.41Å; L321-L514 HydrophobicContact CD2-CD2 3.74Å; L321-L514 HydrophobicContact CD2-CG 4.4Å; L455-L514 HydrophobicContact CD2-CB 4.19Å; L509-L514 HydrophobicContact CD1-CB 4.23Å; L509-L514 HydrophobicContact CD1-CD2 4.14Å; L509-L514 HydrophobicContact CD2-CD2 3.77Å; L509-L514 HydrophobicContact CG-CD2 4.45Å; G510-L514 PolarHBondContact O-N 3.21Å; D512-L514 PolarHBondContact O-N 3.16Å; L514-M516 VanDerWaalsContact C-N 3.3Å; L514-M516 PolarHBondContact O-N 3.43Å; L514-F517 PolarHBondContact O-N 3.2Å; L514-L518 HydrophobicContact CD1-CD1 3.79Å; L514-L518 HydrophobicContact CD1-CG 4.04Å; L514-L518 HydrophobicContact CG-CD1 3.94Å; L514-L518 HydrophobicContact CG-CG 4.43Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.28Å; L514-L518 PolarHBondContact O-N 2.74Å
515	T	98.4	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-40	176	-52.3	0	0	0	0	110.9	R207 I210 I511 D512 R513 F517 L518 T519 V527	R207-T515 HydrophobicContact CB-CG2 3.71Å; R207-T515 HydrophobicContact CG-CG2 4.01Å; R207-T515 PolarHBondContact NH1-OG1 3.02Å; I210-T515 HydrophobicContact CD1-CG2 4.25Å; I511-T515 WeakPolarHBondContact O-CB 3.48Å; I511-T515 PolarHBondContact O-N 2.89Å; I511-T515 PolarHBondContact O-OG1 2.75Å; D512-T515 WeakPolarHBondContact O-CB 3.37Å; D512-T515 PolarHBondContact O-N 3.5Å; D512-T515 VanDerWaalsContact O-N 3.16Å; R513-T515 VanDerWaalsContact C-N 3.32Å; R513-T515 PolarHBondContact O-N 2.94Å; T515-F517 VanDerWaalsContact C-N 3.34Å; T515-F517 PolarHBondContact O-N 3.23Å; T515-L518 PolarHBondContact O-N 3.32Å; T515-T519 HydrophobicContact CG2-CG2 4.02Å; T515-T519 WeakPolarHBondContact O-CB 3.34Å; T515-T519 WeakPolarHBondContact O-CG2 3.26Å; T515-T519 PolarHBondContact O-N 3.19Å; T515-T519 PolarHBondContact O-OG1 3.36Å; T515-V527 HydrophobicContact CG2-CB 3.74Å; T515-V527 HydrophobicContact CG2-CG1 3.57Å
516	M	97.7	Very high	97.5	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-55.3	-51.3	178.8	-72.9	171.1	61	0	0	111.3	L289 T290 D512 R513 L514 T519 N520 T521 I524 V527	L289-M516 WeakPolarHBondContact O-CE 3.41Å; T290-M516 HydrophobicContact CG2-CE 4.12Å; D512-M516 WeakPolarHBondContact O-CG 3.46Å; D512-M516 PolarHBondContact O-N 2.94Å; R513-M516 WeakPolarHBondContact O-CB 3.37Å; R513-M516 PolarHBondContact O-N 3.22Å; R513-M516 VanDerWaalsContact O-N 3.12Å; L514-M516 VanDerWaalsContact C-N 3.3Å; L514-M516 PolarHBondContact O-N 3.43Å; M516-T519 CarbonylContact O-C 3.52Å; M516-T519 PolarHBondContact O-N 3.47Å; M516-T519 PolarHBondContact O-OG1 3.44Å; M516-N520 PolarHBondContact O-N 3.05Å; M516-N520 VanDerWaalsContact O-N 3.11Å; M516-T521 VanDerWaalsContact CA-OG1 3.26Å; M516-T521 WeakPolarHBondContact CA-OG1 3.39Å; M516-T521 WeakPolarHBondContact CB-O 3.3Å; M516-T521 PolarHBondContact O-N 2.86Å; M516-T521 PolarHBondContact O-OG1 3.02Å; M516-I524 HydrophobicContact CE-CB 4.47Å; M516-I524 WeakPolarHBondContact SD-CA 3.35Å; M516-I524 HydrophobicContact SD-CB 3.55Å; M516-I524 VanDerWaalsContact SD-CB 3.55Å; M516-I524 HydrophobicContact SD-CD1 4.44Å; M516-I524 HydrophobicContact SD-CG1 3.85Å; M516-V527 HydrophobicContact CG-CG1 4.24Å; M516-V527 HydrophobicContact CG-CG2 3.66Å
517	F	96.9	Very high	97.4	Very high	5 Å²	5	13.5 Å²	13.5	2%	0.022	8%	0.076	C	C	.	.	H	α-helix	trans	-67.8	-46	-177.6	-58.9	-31.3	0	0	0	112.9	Y333 M450 L451 K453 L455 R513 L514 T515 T519 N520	Y333-F517 AromaticContact CE2-CD1 3.95Å; Y333-F517 HydrophobicContact CE2-CD1 3.95Å; M450-F517 HydrophobicContact CB-CD2 4.43Å; M450-F517 HydrophobicContact CB-CE2 4.25Å; M450-F517 HydrophobicContact CE-CB 3.39Å; M450-F517 HydrophobicContact CE-CD2 3.32Å; M450-F517 HydrophobicContact CE-CE2 4.26Å; M450-F517 HydrophobicContact CE-CG 3.68Å; M450-F517 WeakPolarHBondContact O-CE2 3.23Å; M450-F517 VanDerWaalsContact O-CZ 3.26Å; M450-F517 WeakPolarHBondContact O-CZ 3.45Å; L451-F517 HydrophobicContact CB-CD1 4.46Å; L451-F517 HydrophobicContact CB-CE1 3.98Å; L451-F517 HydrophobicContact CB-CZ 4.06Å; L451-F517 HydrophobicContact CD1-CB 4.21Å; L451-F517 HydrophobicContact CD1-CD1 3.58Å; L451-F517 HydrophobicContact CD1-CE1 3.95Å; L451-F517 HydrophobicContact CD1-CG 3.9Å; K453-F517 HydrophobicContact CB-CE2 4.45Å; K453-F517 HydrophobicContact CB-CZ 3.78Å; K453-F517 HydrophobicContact CG-CZ 3.96Å; L455-F517 HydrophobicContact CD1-CD2 4.03Å; L455-F517 HydrophobicContact CD1-CE2 4.13Å; L455-F517 HydrophobicContact CD2-CD2 3.66Å; L455-F517 HydrophobicContact CD2-CE2 3.58Å; L455-F517 HydrophobicContact CG-CD2 4.11Å; L455-F517 HydrophobicContact CG-CE2 3.83Å; R513-F517 WeakPolarHBondContact O-CD2 3.34Å; R513-F517 WeakPolarHBondContact O-CG 3.05Å; R513-F517 PolarHBondContact O-N 2.89Å; L514-F517 PolarHBondContact O-N 3.2Å; T515-F517 VanDerWaalsContact C-N 3.34Å; T515-F517 PolarHBondContact O-N 3.23Å; F517-T519 PolarHBondContact O-N 2.9Å; F517-N520 PolarHBondContact O-N 3.45Å; F517-N520 VanDerWaalsContact O-N 3.15Å
518	L	97.5	Very high	97.4	Very high	9 Å²	9	14.2 Å²	14.2	5%	0.047	8%	0.079	C	C	.	.	H	α-helix	trans	-69.7	-17	179.6	-59.4	-176.3	0	0	0	112.7	I210 L321 V322 L325 F326 I331 L514 T515	I210-L518 HydrophobicContact CD1-CB 4.17Å; I210-L518 HydrophobicContact CD1-CD1 3.76Å; I210-L518 HydrophobicContact CG1-CD1 3.99Å; L321-L518 HydrophobicContact CD2-CD1 3.7Å; L321-L518 HydrophobicContact CG-CD1 4.08Å; V322-L518 HydrophobicContact CG2-CD2 3.74Å; L325-L518 HydrophobicContact CD1-CD1 4.03Å; F326-L518 HydrophobicContact CE2-CB 4.24Å; F326-L518 HydrophobicContact CE2-CD2 4.13Å; F326-L518 HydrophobicContact CZ-CB 4.33Å; F326-L518 WeakPolarHBondContact CZ-O 3.4Å; I331-L518 HydrophobicContact CD1-CD2 4.01Å; L514-L518 HydrophobicContact CD1-CD1 3.79Å; L514-L518 HydrophobicContact CD1-CG 4.04Å; L514-L518 HydrophobicContact CG-CD1 3.94Å; L514-L518 HydrophobicContact CG-CG 4.43Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.28Å; L514-L518 PolarHBondContact O-N 2.74Å; T515-L518 PolarHBondContact O-N 3.32Å
519	T	96.8	Very high	97.4	Very high	22 Å²	22	17.2 Å²	17.2	14%	0.135	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	9.6	174.9	62.5	0	0	0	0	113.7	R203 T206 T515 M516 F517 T521	R203-T519 HydrophobicContact CB-CG2 4.23Å; R203-T519 HydrophobicContact CG-CG2 4.28Å; T206-T519 HydrophobicContact CG2-CG2 3.89Å; T515-T519 HydrophobicContact CG2-CG2 4.02Å; T515-T519 WeakPolarHBondContact O-CB 3.34Å; T515-T519 WeakPolarHBondContact O-CG2 3.26Å; T515-T519 PolarHBondContact O-N 3.19Å; T515-T519 PolarHBondContact O-OG1 3.36Å; M516-T519 CarbonylContact O-C 3.52Å; M516-T519 PolarHBondContact O-N 3.47Å; M516-T519 PolarHBondContact O-OG1 3.44Å; F517-T519 PolarHBondContact O-N 2.9Å; T519-T521 PolarHBondContact OG1-OG1 2.9Å
520	N	96.9	Very high	97.4	Very high	57 Å²	57	23.6 Å²	23.6	31%	0.305	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	53.7	-179.5	-173.3	31.3	0	0	0	112.6	Y333 H334 M516 F517	Y333-N520 VanDerWaalsContact CA-OD1 3.3Å; Y333-N520 WeakPolarHBondContact CA-OD1 3.31Å; H334-N520 PolarHBondContact N-OD1 3.31Å; H334-N520 PolarHBondContact ND1-ND2 3.48Å; H334-N520 PolarHBondContact ND1-OD1 3.46Å; M516-N520 PolarHBondContact O-N 3.05Å; M516-N520 VanDerWaalsContact O-N 3.11Å; F517-N520 PolarHBondContact O-N 3.45Å; F517-N520 VanDerWaalsContact O-N 3.15Å
521	T	95.2	Very high	97.3	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.043	12%	0.115	C	C	.	.			trans	-126.2	138.1	177.9	61.1	0	0	0	0	111.3	Y333 M516 T519 E526	Y333-T521 PolarHBondContact OH-O 3.28Å; M516-T521 VanDerWaalsContact CA-OG1 3.26Å; M516-T521 WeakPolarHBondContact CA-OG1 3.39Å; M516-T521 WeakPolarHBondContact CB-O 3.3Å; M516-T521 PolarHBondContact O-N 2.86Å; M516-T521 PolarHBondContact O-OG1 3.02Å; T519-T521 PolarHBondContact OG1-OG1 2.9Å; T521-E526 HydrophobicContact CG2-CB 3.8Å; T521-E526 HydrophobicContact CG2-CG 4.22Å
522	N	94.1	Very high	97.2	Very high	46 Å²	46	25 Å²	25	25%	0.246	13%	0.128	C	C	.	.	S	Bend	trans	-100.4	5.3	-178	67.6	-11.7	0	0	0	113.9	Y333 P335	Y333-N522 WeakPolarHBondContact OH-CA 3.22Å; P335-N522 WeakPolarHBondContact O-CB 3.41Å; P335-N522 PolarHBondContact O-ND2 3.39Å
523	N	95.8	Very high	97	Very high	19 Å²	19	27.4 Å²	27.4	10%	0.102	14%	0.14	C	C	.	.	S	Bend	trans	-136.6	122.9	-179.9	-173.2	-30.8	0	0	0	109.9	L289 K525 E526	L289-N523 HydrophobicContact CD2-CB 4.12Å; L289-N523 CarbonylContact O-C 3.39Å; L289-N523 WeakPolarHBondContact O-CA 3.37Å; N523-K525 PolarHBondContact O-N 3.4Å; N523-K525 VanDerWaalsContact O-N 3.08Å; N523-K525 VanDerWaalsContact OD1-CB 3.28Å; N523-K525 WeakPolarHBondContact OD1-CB 3.41Å; N523-K525 VanDerWaalsContact OD1-CG 3.29Å; N523-K525 WeakPolarHBondContact OD1-CG 3.49Å; N523-K525 PolarHBondContact OD1-N 3.17Å; N523-E526 WeakPolarHBondContact O-CB 3.39Å; N523-E526 PolarHBondContact O-N 3.3Å
524	I	97.4	Very high	96.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26.2	-178.8	-162.5	166.5	0	0	0	113.2	L289 T290 N292 D512 M516 E526 V527 I528	L289-I524 WeakPolarHBondContact O-CB 3.41Å; L289-I524 PolarHBondContact O-N 3.43Å; T290-I524 WeakPolarHBondContact O-CD1 3.38Å; N292-I524 HydrophobicContact CB-CD1 4.45Å; N292-I524 HydrophobicContact CB-CG2 4.42Å; D512-I524 HydrophobicContact CB-CD1 3.76Å; D512-I524 HydrophobicContact CB-CG1 3.96Å; M516-I524 HydrophobicContact CE-CB 4.47Å; M516-I524 WeakPolarHBondContact SD-CA 3.35Å; M516-I524 HydrophobicContact SD-CB 3.55Å; M516-I524 VanDerWaalsContact SD-CB 3.55Å; M516-I524 HydrophobicContact SD-CD1 4.44Å; M516-I524 HydrophobicContact SD-CG1 3.85Å; I524-E526 PolarHBondContact O-N 2.88Å; I524-E526 VanDerWaalsContact O-N 3.17Å; I524-V527 HydrophobicContact CG1-CG2 4.22Å; I524-V527 WeakPolarHBondContact O-CG2 3.42Å; I524-V527 PolarHBondContact O-N 3.2Å; I524-I528 HydrophobicContact CD1-CD1 4.39Å; I524-I528 HydrophobicContact CG1-CD1 3.97Å; I524-I528 HydrophobicContact CG1-CG1 4.45Å; I524-I528 PolarHBondContact O-N 3.02Å
525	K	97.2	Very high	96.2	Very high	24 Å²	24	38.5 Å²	38.5	10%	0.104	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.9	-19.4	175.2	-61	-170.3	-173.1	-63.5	0	113.5	F187 R190 N523 V527 P531 A532 M533	F187-K525 HydrophobicContact CD1-CB 4.11Å; F187-K525 HydrophobicContact CD2-CB 3.92Å; F187-K525 HydrophobicContact CD2-CD 3.68Å; F187-K525 HydrophobicContact CD2-CG 4.45Å; F187-K525 HydrophobicContact CE1-CB 3.8Å; F187-K525 WeakPolarHBondContact CE1-O 3.33Å; F187-K525 HydrophobicContact CE2-CB 3.58Å; F187-K525 HydrophobicContact CE2-CD 3.74Å; F187-K525 HydrophobicContact CE2-CG 4.3Å; F187-K525 HydrophobicContact CG-CB 4.18Å; F187-K525 HydrophobicContact CG-CD 4.44Å; F187-K525 HydrophobicContact CZ-CB 3.53Å; R190-K525 PolarHBondContact NH2-O 3.28Å; N523-K525 PolarHBondContact O-N 3.4Å; N523-K525 VanDerWaalsContact O-N 3.08Å; N523-K525 VanDerWaalsContact OD1-CB 3.28Å; N523-K525 WeakPolarHBondContact OD1-CB 3.41Å; N523-K525 VanDerWaalsContact OD1-CG 3.29Å; N523-K525 WeakPolarHBondContact OD1-CG 3.49Å; N523-K525 PolarHBondContact OD1-N 3.17Å; K525-V527 VanDerWaalsContact C-N 3.31Å; K525-P531 HydrophobicContact CB-CB 3.92Å; K525-P531 HydrophobicContact CB-CG 3.89Å; K525-P531 HydrophobicContact CD-CB 4.26Å; K525-P531 HydrophobicContact CD-CG 4.33Å; K525-P531 HydrophobicContact CG-CB 3.71Å; K525-P531 HydrophobicContact CG-CG 4.07Å; K525-A532 PolarHBondContact NZ-O 3.2Å; K525-M533 HydrophobicContact CD-SD 3.98Å
526	E	97.2	Very high	95.6	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.056	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-74.3	-21.4	175	-68.7	-66.9	158.3	0	0	113.2	R186 F187 R203 T521 N523 I524	R186-E526 IonicContact CZ-OE1 2.84Å; R186-E526 IonicContact CZ-OE2 3.49Å; R186-E526 IonicContact NH1-OE1 3.56Å; R186-E526 PolarHBondContact NH1-OE1 3.47Å; R186-E526 IonicContact NH1-OE2 3.46Å; R186-E526 IonicContact NH2-OE1 3.61Å; R186-E526 PolarHBondContact NH2-OE1 3.17Å; R186-E526 IonicContact NH2-OE2 3.36Å; R186-E526 PolarHBondContact NH2-OE2 3.1Å; F187-E526 HydrophobicContact CE1-CG 4.45Å; F187-E526 WeakPolarHBondContact CE1-OE1 3.23Å; F187-E526 HydrophobicContact CZ-CG 4.41Å; F187-E526 WeakPolarHBondContact CZ-OE1 3.31Å; R203-E526 IonicContact CZ-OE2 2.7Å; R203-E526 IonicContact NH1-OE2 2.76Å; R203-E526 PolarHBondContact NH1-OE2 3.16Å; T521-E526 HydrophobicContact CG2-CB 3.8Å; T521-E526 HydrophobicContact CG2-CG 4.22Å; N523-E526 WeakPolarHBondContact O-CB 3.39Å; N523-E526 PolarHBondContact O-N 3.3Å; I524-E526 PolarHBondContact O-N 2.88Å; I524-E526 VanDerWaalsContact O-N 3.17Å
527	V	98.1	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	2.7	-175	-59.2	0	0	0	0	113.6	F204 R207 D512 T515 M516 I524 K525	F204-V527 WeakPolarHBondContact CE1-O 3.4Å; R207-V527 WeakPolarHBondContact CD-O 3.31Å; D512-V527 HydrophobicContact CB-CG2 4.44Å; T515-V527 HydrophobicContact CG2-CB 3.74Å; T515-V527 HydrophobicContact CG2-CG1 3.57Å; M516-V527 HydrophobicContact CG-CG1 4.24Å; M516-V527 HydrophobicContact CG-CG2 3.66Å; I524-V527 HydrophobicContact CG1-CG2 4.22Å; I524-V527 WeakPolarHBondContact O-CG2 3.42Å; I524-V527 PolarHBondContact O-N 3.2Å; K525-V527 VanDerWaalsContact C-N 3.31Å
528	I	98.3	Very high	92.6	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.087	30%	0.302	C	S	.	.	S	Bend	trans	-109.7	125.7	170	-60.4	175.8	0	0	0	108.2	R190 N292 D512 I524 F530 P531	R190-I528 PolarHBondContact NH2-O 3.37Å; N292-I528 HydrophobicContact CB-CD1 3.56Å; D512-I528 WeakPolarHBondContact OD1-CG1 3.39Å; I524-I528 HydrophobicContact CD1-CD1 4.39Å; I524-I528 HydrophobicContact CG1-CD1 3.97Å; I524-I528 HydrophobicContact CG1-CG1 4.45Å; I524-I528 PolarHBondContact O-N 3.02Å; I528-F530 VanDerWaalsContact C-N 3.34Å; I528-F530 PolarHBondContact O-N 3.32Å; I528-P531 HydrophobicContact CB-CB 4.29Å; I528-P531 HydrophobicContact CG2-CB 4.29Å; I528-P531 WeakPolarHBondContact O-CD 3.46Å
529	L	98.1	Very high	90.6	Very high	77 Å²	77	59 Å²	59	40%	0.403	33%	0.326	S	S	.	.	S	Bend	trans	-58	-47.1	-177.1	-79.2	166.8	0	0	0	111.4	R190 L194 F204	R190-L529 WeakPolarHBondContact CB-O 3.33Å; R190-L529 HydrophobicContact CG-CD2 4.12Å; R190-L529 WeakPolarHBondContact CG-O 3.42Å; R190-L529 PolarHBondContact NE-O 3Å; L194-L529 HydrophobicContact CD1-CD2 4.34Å; F204-L529 HydrophobicContact CD1-CD2 3.74Å; F204-L529 HydrophobicContact CD1-CG 3.73Å; F204-L529 HydrophobicContact CD2-CD2 3.66Å; F204-L529 HydrophobicContact CE1-CB 4.23Å; F204-L529 HydrophobicContact CE1-CD2 3.73Å; F204-L529 HydrophobicContact CE1-CG 3.57Å; F204-L529 HydrophobicContact CE2-CD2 3.65Å; F204-L529 HydrophobicContact CE2-CG 4.4Å; F204-L529 HydrophobicContact CG-CD2 3.73Å; F204-L529 HydrophobicContact CG-CG 4.23Å; F204-L529 HydrophobicContact CZ-CB 4.39Å; F204-L529 HydrophobicContact CZ-CD2 3.7Å; F204-L529 HydrophobicContact CZ-CG 3.96Å
530	F	97.8	Very high	87.8	Confident	136 Å²	136	61.7 Å²	61.7	60%	0.596	35%	0.35	S	S	*	.	S	Bend	trans	-127.2	81.2	179	-58	-79.3	0	0	0	108.9	R190 I528	R190-F530 HydrophobicContact CB-CD1 4.16Å; R190-F530 HydrophobicContact CB-CE1 3.79Å; R190-F530 HydrophobicContact CB-CZ 4.33Å; I528-F530 VanDerWaalsContact C-N 3.34Å; I528-F530 PolarHBondContact O-N 3.32Å
531	P	97.3	Very high	85	Confident	10 Å²	10	63.1 Å²	63.1	7%	0.065	37%	0.37	C	S	.	.			trans	-68.7	155.4	-179.6	30.4	-33.6	0	0	0	110.4	F187 K525 I528 M533	F187-P531 HydrophobicContact CB-CG 3.87Å; F187-P531 HydrophobicContact CD1-CG 4.35Å; F187-P531 HydrophobicContact CG-CG 4.1Å; K525-P531 HydrophobicContact CB-CB 3.92Å; K525-P531 HydrophobicContact CB-CG 3.89Å; K525-P531 HydrophobicContact CD-CB 4.26Å; K525-P531 HydrophobicContact CD-CG 4.33Å; K525-P531 HydrophobicContact CG-CB 3.71Å; K525-P531 HydrophobicContact CG-CG 4.07Å; I528-P531 HydrophobicContact CB-CB 4.29Å; I528-P531 HydrophobicContact CG2-CB 4.29Å; I528-P531 WeakPolarHBondContact O-CD 3.46Å; P531-M533 HydrophobicContact CG-SD 4.47Å; P531-M533 PolarHBondContact O-N 3.08Å
532	A	96	Very high	82.4	Confident	34 Å²	34	68.5 Å²	68.5	28%	0.281	41%	0.405	S	S	.	.			trans	-64.2	129.8	174.8	0	0	0	0	0	110.1	I287 N292 P293 K525	I287-A532 HydrophobicContact CD1-CB 3.86Å; N292-A532 PolarHBondContact OD1-N 3.03Å; N292-A532 VanDerWaalsContact OD1-N 3.08Å; P293-A532 HydrophobicContact CG-CB 4.14Å; K525-A532 PolarHBondContact NZ-O 3.2Å
533	M	93.8	Very high	79.9	Confident	56 Å²	56	74.4 Å²	74.4	28%	0.276	44%	0.436	S	S	.	.			trans	-127.5	143.3	-179.7	-63	-62.1	-74.8	0	0	109.4	E184 F187 R188 K525 P531	E184-M533 HydrophobicContact CG-CE 4.36Å; F187-M533 HydrophobicContact CB-CE 4.12Å; F187-M533 HydrophobicContact CB-CG 4.5Å; F187-M533 HydrophobicContact CB-SD 3.96Å; F187-M533 HydrophobicContact CD2-CE 4.35Å; F187-M533 HydrophobicContact CD2-SD 4.32Å; R188-M533 HydrophobicContact CG-CG 4.48Å; K525-M533 HydrophobicContact CD-SD 3.98Å; P531-M533 HydrophobicContact CG-SD 4.47Å; P531-M533 PolarHBondContact O-N 3.08Å
534	K	90.4	Very high	77	Confident	180 Å²	180	80.2 Å²	80.2	78%	0.783	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-60.1	132.9	169.8	-169.6	174.8	-179.4	178.6	0	108.6	R188	R188-K534 PolarHBondContact NH1-O 3.31Å; R188-K534 PolarHBondContact NH2-O 3.34Å
535	P	88.8	Confident	74	Confident	94 Å²	94	85.9 Å²	85.9	61%	0.61	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-57.5	147.5	176.7	-25.4	34.4	0	0	0	111.8
536	E	85.9	Confident	71.1	Confident	101 Å²	101	93.7 Å²	93.7	47%	0.472	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-67.9	146.7	168.9	-64.9	174.2	-174.9	0	0	108.9	R188 N538 S539	R188-E536 VanDerWaalsContact CD-OE1 3.24Å; R188-E536 WeakPolarHBondContact CD-OE1 3.4Å; R188-E536 IonicContact NE-OE1 3.37Å; R188-E536 PolarHBondContact NE-OE1 2.63Å; E536-N538 PolarHBondContact O-N 2.87Å; E536-S539 PolarHBondContact O-N 2.94Å; E536-S539 PolarHBondContact O-OG 2.85Å
537	A	73.3	Confident	68.1	Low	101 Å²	101	98.4 Å²	98.4	84%	0.835	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-20.9	-172.8	0	0	0	0	0	114.1
538	N	59.5	Low	64.9	Low	164 Å²	164	106 Å²	106	88%	0.877	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-1.4	-177.9	-67.4	-16.2	0	0	0	114.4	E536	E536-N538 PolarHBondContact O-N 2.87Å
539	S	54.2	Low	61.7	Low	79 Å²	79	112.2 Å²	112.2	55%	0.552	64%	0.639	S	S	*	*	S	Bend	trans	-97.5	-11.7	-175	-38.4	0	0	0	0	114.3	E536 A541	E536-S539 PolarHBondContact O-N 2.94Å; E536-S539 PolarHBondContact O-OG 2.85Å; S539-A541 PolarHBondContact O-N 3.42Å
540	A	39.4	Very low	58.6	Low	79 Å²	79	117.7 Å²	117.7	65%	0.653	67%	0.668	S	S	*	*			trans	-87.1	85.5	-175.8	0	0	0	0	0	111.1
541	A	38.5	Very low	55.5	Low	87 Å²	87	117.9 Å²	117.9	72%	0.719	67%	0.671	S	S	*	*			trans	-63.2	133.6	152.1	0	0	0	0	0	107.6	S539 L543	S539-A541 PolarHBondContact O-N 3.42Å; A541-L543 PolarHBondContact O-N 2.95Å
542	P	39.2	Very low	52.4	Low	121 Å²	121	124.9 Å²	124.9	79%	0.786	71%	0.708	S	S	*	*			trans	-66.9	113.1	179.9	-4.7	17.8	0	0	0	108.7	N544	P542-N544 VanDerWaalsContact C-N 3.33Å; P542-N544 PolarHBondContact O-N 2.95Å; P542-N544 VanDerWaalsContact O-N 3.08Å
543	L	42.5	Very low	49.4	Very low	169 Å²	169	130.4 Å²	130.4	89%	0.885	73%	0.732	S	S	*	*			trans	-66.4	103.6	153.4	-77.4	166.9	0	0	0	105.6	A541 P545	A541-L543 PolarHBondContact O-N 2.95Å; L543-P545 WeakPolarHBondContact O-CD 3.47Å
544	N	33.4	Very low	46.6	Very low	142 Å²	142	137.1 Å²	137.1	76%	0.759	76%	0.76	S	S	*	*			trans	-50.3	124	168.3	-112.8	-7.3	0	0	0	107.9	P542 M546	P542-N544 VanDerWaalsContact C-N 3.33Å; P542-N544 PolarHBondContact O-N 2.95Å; P542-N544 VanDerWaalsContact O-N 3.08Å; N544-M546 VanDerWaalsContact C-N 3.28Å; N544-M546 PolarHBondContact O-N 3.29Å
545	P	35.9	Very low	43.7	Very low	121 Å²	121	134 Å²	134	79%	0.786	76%	0.761	S	S	*	*			trans	-68.5	94.9	168.3	-0.8	15.4	0	0	0	107	L543 S547	L543-P545 WeakPolarHBondContact O-CD 3.47Å; P545-S547 PolarHBondContact O-N 3.07Å
546	M	36.1	Very low	41.3	Very low	187 Å²	187	135.4 Å²	135.4	92%	0.921	77%	0.77	S	S	*	*			trans	-77.8	78.5	172.3	-135.6	-174	-175.9	0	0	108.3	N544	N544-M546 VanDerWaalsContact C-N 3.28Å; N544-M546 PolarHBondContact O-N 3.29Å
547	S	33	Very low	38.8	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	79%	0.789	S	S	*	*			trans	175.2	98.3	142.9	57.8	0	0	0	0	109	P545	P545-S547 PolarHBondContact O-N 3.07Å
548	E	32	Very low	36.7	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.743	79%	0.785	S	S	*	*			trans	-53.8	146.9	165.2	-66.5	173.2	103.7	0	0	112.5
549	K	31.2	Very low	35.5	Very low	148 Å²	148	136.4 Å²	136.4	64%	0.643	78%	0.783	S	S	*	*			trans	56.9	86.2	144.2	-65.6	169.9	-174.5	163.4	0	116.8	Q551	K549-Q551 HydrophobicContact CB-CG 4.24Å; K549-Q551 PolarHBondContact O-N 3.41Å
550	L	32.3	Very low	34.4	Very low	191 Å²	191	140.1 Å²	140.1	100%	1	80%	0.796	S	S	*	*			trans	-68.3	87.9	135	-89.4	138	0	0	0	107.4
551	Q	32.6	Very low	34.3	Very low	140 Å²	140	142.1 Å²	142.1	65%	0.654	81%	0.805	S	S	*	*			trans	-80.9	118.6	162.6	-90.3	179.5	-19.3	0	0	108.2	K549 N553	K549-Q551 HydrophobicContact CB-CG 4.24Å; K549-Q551 PolarHBondContact O-N 3.41Å; Q551-N553 PolarHBondContact O-N 3.36Å
552	D	31.8	Very low	34.1	Very low	158 Å²	158	147 Å²	147	85%	0.845	81%	0.813	S	S	*	*			trans	-44.2	118.6	153.5	-86.1	-42.3	0	0	0	109.9
553	N	33.8	Very low	33.9	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	82%	0.822	S	S	*	*			trans	-139	89.5	158.7	-94.4	-26.7	0	0	0	108.8	Q551	Q551-N553 PolarHBondContact O-N 3.36Å
554	K	35.1	Very low	33.2	Very low	197 Å²	197	147.7 Å²	147.7	86%	0.857	82%	0.816	S	S	*	*			trans	-64.7	123.3	149.5	-71.8	178.1	177.1	176.4	0	107.6
555	S	29.7	Very low	33.3	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	82%	0.823	S	S	*	*			trans	161.9	145	130.2	-68.4	0	0	0	0	111.3
556	P	37.8	Very low	33	Very low	123 Å²	123	150.2 Å²	150.2	80%	0.799	83%	0.826	S	S	*	*			trans	-101.7	154.8	-158.1	38.2	-30.9	0	0	0	113.5
557	V	33.5	Very low	33.4	Very low	141 Å²	141	147.4 Å²	147.4	86%	0.855	82%	0.821	S	S	*	*			trans	-142.8	123.5	160.6	-178.5	0	0	0	0	110.2
558	S	28.6	Very low	33.6	Very low	108 Å²	108	150.1 Å²	150.1	76%	0.755	83%	0.826	S	S	*	*			trans	-71.4	137.8	169.2	52.3	0	0	0	0	112.6
559	V	35.7	Very low	33.7	Very low	138 Å²	138	147 Å²	147	84%	0.836	82%	0.822	S	S	*	*			trans	-148.9	128.4	148.5	-167.3	0	0	0	0	110
560	N	31	Very low	33.9	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	83%	0.826	S	S	*	*			trans	-65.5	145.2	173.1	-72.6	-32.4	0	0	0	113
561	S	37.4	Very low	33.9	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	81%	0.814	S	S	*	*			trans	-152	114.4	144.6	58.2	0	0	0	0	110.6
562	H	34.5	Very low	34.1	Very low	190 Å²	190	144.5 Å²	144.5	88%	0.88	82%	0.82	S	S	*	*			trans	-60.8	136.7	168.8	-81.9	-65.4	0	0	0	112
563	M	34.3	Very low	34.5	Very low	197 Å²	197	143.5 Å²	143.5	97%	0.97	82%	0.815	S	S	*	*			trans	-162.5	117.8	137.7	-116.6	179.5	146.1	0	0	110.4
564	S	28.3	Very low	34.9	Very low	108 Å²	108	144 Å²	144	76%	0.755	82%	0.817	S	S	*	*			trans	-100.4	143.7	176.9	46.2	0	0	0	0	110.3
565	C	33.8	Very low	35.4	Very low	136 Å²	136	139.3 Å²	139.3	92%	0.919	81%	0.806	S	S	*	*			trans	-164.8	117.4	147.9	-111.6	0	0	0	0	111.3
566	E	31	Very low	35.8	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.2	160	165.4	-63.1	-178.7	152	0	0	111.2
567	P	43.6	Very low	35.9	Very low	128 Å²	128	141.9 Å²	141.9	83%	0.831	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-99.3	127.3	160.4	25.2	-9.8	0	0	0	112.1
568	L	37.6	Very low	36.4	Very low	169 Å²	169	139.9 Å²	139.9	89%	0.885	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73	151.4	170	-81.3	157.9	0	0	0	112.1
569	S	33.8	Very low	36.7	Very low	93 Å²	93	140.8 Å²	140.8	65%	0.65	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-81.1	167.1	-176.5	58	0	0	0	0	115.1
570	N	35.1	Very low	36.9	Very low	137 Å²	137	142.7 Å²	142.7	73%	0.733	80%	0.8	S	S	*	*			trans	114.6	97.9	151.7	-65.1	-5.6	0	0	0	118.4
571	T	34	Very low	37.1	Very low	121 Å²	121	142 Å²	142	74%	0.742	80%	0.795	S	S	*	*				55.2	135.8	120.2	58.2	0	0	0	0	122.7
572	E	36.7	Very low	37	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	79%	0.79	S	S	*	*			trans	115.3	96.3	147	-59.6	-161.4	150.8	0	0	118.3
573	N	39.2	Very low	37.4	Very low	137 Å²	137	142 Å²	142	73%	0.733	79%	0.792	S	S	*	*				67.1	132.4	116.8	-76	-23.5	0	0	0	123.6
574	L	43.1	Very low	37.5	Very low	158 Å²	158	139.5 Å²	139.5	83%	0.827	78%	0.783	S	S	*	*			trans	97.9	152.1	146.6	-67.7	152.8	0	0	0	118.9
575	P	44.1	Very low	37.8	Very low	99 Å²	99	141.3 Å²	141.3	64%	0.643	78%	0.784	S	S	*	*				-140.8	172.4	-78	37.4	-15.3	0	0	0	115.9
576	D	39.8	Very low	38.2	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	79%	0.785	S	S	*	*			trans	46.3	125.7	145.5	-64.3	-19.8	0	0	0	126.1
577	N	38.2	Very low	38	Very low	148 Å²	148	140 Å²	140	79%	0.791	78%	0.781	S	S	*	*			trans	75.1	164	134.7	-92.5	-15.9	0	0	0	121.7
578	P	44.6	Very low	37.8	Very low	100 Å²	100	140 Å²	140	65%	0.649	78%	0.781	S	S	*	*			cis	-140.3	170.1	-38.2	35.3	-16.6	0	0	0	114.9
579	V	34.7	Very low	37.7	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	78%	0.779	S	S	*	*			trans	43.7	122.7	146.8	-178	0	0	0	0	120.8
580	L	39.6	Very low	37.7	Very low	179 Å²	179	142.2 Å²	142.2	94%	0.937	79%	0.787	S	S	*	*			trans	-139.6	134.9	152.7	-95.4	166.5	0	0	0	111.7
581	L	36.7	Very low	37.5	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	79%	0.789	S	S	*	*			trans	-86.9	154.8	-178.4	-77.2	152.9	0	0	0	112.7
582	D	34.7	Very low	37.5	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	80%	0.798	S	S	*	*			trans	36.6	125.2	150.7	-72.4	-17.9	0	0	0	121.3
583	N	42	Very low	37.3	Very low	172 Å²	172	140.6 Å²	140.6	92%	0.92	80%	0.795	S	S	*	*			trans	-147.4	134.1	138.9	-92.7	-44.8	0	0	0	111.8
584	N	36.9	Very low	37.2	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	80%	0.796	S	S	*	*			trans	-70.4	166.7	-175.3	-81.1	-41.2	0	0	0	115.1
585	D	36	Very low	36.7	Very low	146 Å²	146	140.9 Å²	140.9	78%	0.781	80%	0.798	S	S	*	*			trans	75.4	109.4	150.4	-74.3	-29.6	0	0	0	119.2
586	L	40.5	Very low	36.2	Very low	178 Å²	178	143.4 Å²	143.4	93%	0.932	80%	0.804	S	S	*	*				-173.4	99.6	129	-94.8	154	0	0	0	109.9
587	S	27.2	Very low	35.8	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	81%	0.805	S	S	*	*			trans	-82.9	150	165.3	65.9	0	0	0	0	111.2
588	P	39.8	Very low	35.6	Very low	129 Å²	129	144.5 Å²	144.5	84%	0.838	81%	0.806	S	S	*	*				-131.8	155.5	124.9	31.2	-17.6	0	0	0	114.2
589	K	35.4	Very low	34.9	Very low	194 Å²	194	144.3 Å²	144.3	84%	0.843	81%	0.807	S	S	*	*			trans	-60.9	154.7	-168.2	-67.3	163.6	174.9	175.4	0	116.4
590	S	33.2	Very low	35	Very low	115 Å²	115	144.2 Å²	144.2	80%	0.804	81%	0.809	S	S	*	*			trans	75.6	107.1	138.8	67.7	0	0	0	0	120.9
591	S	31.4	Very low	34.9	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	80%	0.803	S	S	*	*				-161	109.4	119.9	59	0	0	0	0	109.6
592	L	34.2	Very low	34.9	Very low	178 Å²	178	142.1 Å²	142.1	93%	0.932	80%	0.804	S	S	*	*			trans	-78.4	115.3	170.2	-84.7	149.9	0	0	0	108.8
593	S	31.5	Very low	35	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	81%	0.808	S	S	*	*			trans	-94.1	125.2	163.8	-55.9	0	0	0	0	108.5	Q595	S593-Q595 PolarHBondContact O-N 2.99Å
594	P	38.4	Very low	34.7	Very low	118 Å²	118	139.2 Å²	139.2	77%	0.766	80%	0.803	S	S	*	*			trans	-73.3	118.9	176.1	27.7	-28.7	0	0	0	109.4	I596	P594-I596 PolarHBondContact O-N 3.42Å; P594-I596 VanDerWaalsContact O-N 3.15Å
595	Q	31.9	Very low	34.6	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	81%	0.806	S	S	*	*			trans	-62.3	111.9	164.6	-72.9	-170.9	-7.8	0	0	109	S593 K597	S593-Q595 PolarHBondContact O-N 2.99Å; Q595-K597 PolarHBondContact O-N 2.87Å
596	I	32.8	Very low	34.6	Very low	151 Å²	151	141.3 Å²	141.3	77%	0.774	81%	0.81	S	S	*	*			trans	-74.5	103.8	165.3	-64	175.2	0	0	0	106.7	P594 V598	P594-I596 PolarHBondContact O-N 3.42Å; P594-I596 VanDerWaalsContact O-N 3.15Å; I596-V598 HydrophobicContact CG2-CG2 4.29Å; I596-V598 PolarHBondContact O-N 3.29Å
597	K	32.1	Very low	34.4	Very low	185 Å²	185	141.8 Å²	141.8	80%	0.804	81%	0.807	S	S	*	*			trans	-68.8	109.2	163	-87.9	-177.2	174.8	179.7	0	108.3	Q595 S599	Q595-K597 PolarHBondContact O-N 2.87Å; K597-S599 PolarHBondContact O-N 2.77Å
598	V	33.1	Very low	34.8	Very low	132 Å²	132	142 Å²	142	80%	0.8	81%	0.808	S	S	*	*			trans	-79.9	106.4	163.5	-177.9	0	0	0	0	107.1	I596	I596-V598 HydrophobicContact CG2-CG2 4.29Å; I596-V598 PolarHBondContact O-N 3.29Å
599	S	30.8	Very low	34.7	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-74.8	139	170.6	-54.3	0	0	0	0	109.6	K597	K597-S599 PolarHBondContact O-N 2.77Å
600	P	37.5	Very low	35	Very low	124 Å²	124	138.2 Å²	138.2	81%	0.805	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-68.7	137.6	176.8	-8.3	23	0	0	0	110.9
601	I	36	Very low	35	Very low	159 Å²	159	136.3 Å²	136.3	82%	0.815	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.9	131.6	168	-62.2	171.6	0	0	0	108.1	T603	I601-T603 PolarHBondContact O-N 2.87Å
602	P	38.4	Very low	35.3	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72	123.4	176.7	-4.6	20	0	0	0	110.1	S604	P602-S604 PolarHBondContact O-N 3.12Å
603	T	36.1	Very low	35.4	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.7	117.9	164	32.9	0	0	0	0	109.4	I601 K605	I601-T603 PolarHBondContact O-N 2.87Å; T603-K605 PolarHBondContact O-N 3.17Å; T603-K605 VanDerWaalsContact O-N 3.13Å
604	S	36	Very low	35.7	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	80%	0.803	S	S	*	*			trans	-66	109.7	168.7	56.1	0	0	0	0	109	P602 T606	P602-S604 PolarHBondContact O-N 3.12Å; S604-T606 PolarHBondContact O-N 3.1Å
605	K	34.7	Very low	35.8	Very low	195 Å²	195	139.3 Å²	139.3	85%	0.848	80%	0.8	S	S	*	*			trans	-64.4	116.4	169.4	-71.9	-178.7	175.4	-178.8	0	109.7	T603 Q607	T603-K605 PolarHBondContact O-N 3.17Å; T603-K605 VanDerWaalsContact O-N 3.13Å; K605-Q607 PolarHBondContact O-N 3.2Å
606	T	36.3	Very low	36.2	Very low	139 Å²	139	139.6 Å²	139.6	85%	0.853	80%	0.801	S	S	*	*			trans	-61.9	114.1	155.4	12.2	0	0	0	0	108.2	S604 S608	S604-T606 PolarHBondContact O-N 3.1Å; T606-S608 PolarHBondContact O-N 3.29Å
607	Q	35.1	Very low	36.5	Very low	188 Å²	188	139 Å²	139	88%	0.879	81%	0.805	S	S	*	*			trans	-77.2	111.8	168.2	-82	-179.4	-17.7	0	0	109.1	K605	K605-Q607 PolarHBondContact O-N 3.2Å
608	S	35.7	Very low	37.3	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.1	125.1	159	51.3	0	0	0	0	109.6	T606	T606-S608 PolarHBondContact O-N 3.29Å
609	S	37.8	Very low	37.9	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.6	136.9	168.4	-52.1	0	0	0	0	110.3
610	P	41.3	Very low	38.2	Very low	129 Å²	129	135.4 Å²	135.4	84%	0.838	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.2	146.9	177.9	33.9	-30.6	0	0	0	111.8
611	G	33.3	Very low	38.3	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-88.7	160.9	171.7	0	0	0	0	0	113.7
612	Q	37.7	Very low	38.5	Very low	178 Å²	178	134 Å²	134	83%	0.832	81%	0.805	S	S	*	*			trans	-166.8	110	153.4	-103.4	178.1	-22.5	0	0	105.9
613	E	37.7	Very low	38.8	Very low	175 Å²	175	132.3 Å²	132.3	82%	0.818	81%	0.809	S	S	*	*				61	124.4	98.3	-78.3	-172.2	165	0	0	112.4
614	T	37.6	Very low	39.1	Very low	121 Å²	121	135.6 Å²	135.6	74%	0.742	81%	0.812	S	S	*	*			cis	-163.7	146.1	46.5	47.3	0	0	0	0	114
615	S	39.1	Very low	39.3	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	81%	0.813	S	S	*	*			trans	56.5	118.2	135.6	73.6	0	0	0	0	123.4
616	E	40.2	Very low	39.7	Very low	190 Å²	190	129.9 Å²	129.9	89%	0.888	81%	0.808	S	S	*	*				173.5	149.7	89.7	-83.3	-167.5	160.3	0	0	112.1
617	T	40.1	Very low	40	Very low	138 Å²	138	132.8 Å²	132.8	85%	0.847	81%	0.809	S	S	*	*			trans	-95.7	168	-159.4	17.8	0	0	0	0	116.6
618	P	48.3	Very low	40.3	Very low	112 Å²	112	132.8 Å²	132.8	73%	0.727	81%	0.806	S	S	*	*			trans	-103	-169.4	-168.3	46.6	-38.3	0	0	0	112.8
619	P	45.9	Very low	40.6	Very low	113 Å²	113	136.3 Å²	136.3	73%	0.734	81%	0.807	S	S	*	*				-159	171	64.8	39.6	-14.4	0	0	0	119.9
620	S	36.7	Very low	40.9	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	81%	0.807	S	S	*	*			trans	31.2	131.6	147.9	68.5	0	0	0	0	124.7
621	S	40.7	Very low	41	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	81%	0.807	S	S	*	*				-171.7	125.6	123.2	56.6	0	0	0	0	115.4
622	T	40.4	Very low	41.5	Very low	144 Å²	144	145.9 Å²	145.9	88%	0.883	82%	0.816	S	S	*	*			trans	24.1	132	143.8	58.2	0	0	0	0	124.1
623	G	44.9	Very low	41.9	Very low	83 Å²	83	149.1 Å²	149.1	86%	0.856	82%	0.82	S	S	*	*			trans	-162.8	121	154.7	0	0	0	0	0	112.8
624	K	41.5	Very low	42.5	Very low	201 Å²	201	149.7 Å²	149.7	87%	0.874	84%	0.844	S	S	*	*			trans	-91.3	145.8	-160.9	-86.6	173.2	171.7	170.1	0	116.1
625	S	40.6	Very low	42.7	Very low	119 Å²	119	151.2 Å²	151.2	83%	0.832	85%	0.849	S	S	*	*				70.1	130.3	128.6	71.8	0	0	0	0	123.4
626	G	42.1	Very low	42.9	Very low	72 Å²	72	153.8 Å²	153.8	74%	0.742	86%	0.857	S	S	*	*			trans	169.7	85.7	147.8	0	0	0	0	0	118.1
627	K	42.8	Very low	43	Very low	201 Å²	201	151.8 Å²	151.8	87%	0.874	86%	0.855	S	S	*	*			trans	48.9	133.9	141.7	-74.6	171.5	179.5	169.9	0	119.3
628	K	41.7	Very low	43.2	Very low	187 Å²	187	152.6 Å²	152.6	81%	0.813	86%	0.856	S	S	*	*			cis	-175.3	131.2	42	-124.3	169.1	-177.4	-178.2	0	110.8
629	K	42.5	Very low	42.9	Very low	187 Å²	187	155.2 Å²	155.2	81%	0.813	86%	0.864	S	S	*	*			trans	19.1	141.7	133.7	-83.4	177	177.1	176.8	0	118.8
630	K	43.1	Very low	42.7	Very low	188 Å²	188	158 Å²	158	82%	0.817	87%	0.872	S	S	*	*			cis	-170.7	136.9	34.7	-112.4	166	179.1	-171.4	0	107.4
631	G	43.6	Very low	43.1	Very low	81 Å²	81	161.4 Å²	161.4	84%	0.835	88%	0.879	S	S	*	*				80.3	134.9	107.9	0	0	0	0	0	113.6
632	R	45	Very low	43.3	Very low	252 Å²	252	165.2 Å²	165.2	95%	0.951	89%	0.887	S	S	*	*			cis	-169	155.5	25.3	-167.9	176.9	-177.7	174.7	-1.1	108.2
633	R	45.7	Very low	43.6	Very low	245 Å²	245	167 Å²	167	93%	0.925	89%	0.887	S	S	*	*			trans	-49.8	146.1	179.1	-69.6	171.8	167.6	172.5	-6.7	116.4
634	S	49.2	Very low	43.4	Very low	188 Å²	188	174.6 Å²	174.6	100%	1.315	89%	0.89	S	S	*	*				-129.5	0	119.8	58.8	0	0	0	0	107.5

Retrieved 634 of 634 residues in 168.2 ms (Link to these results)

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