G4VGD7_SCHMA Loading...

Putative cyclic-nucleotide-gated cation channel

AlphaFold DB , UniProt , Accession G4VGD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 715 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	37.3	Very low	249 Å²	249	137.6 Å²	137.6	100%	1.227	77%	0.766	S	S	*	*				0	19.3	0	-86.3	-88	-144.9	0	0	112.6
2	A	33.2	Very low	37.2	Very low	104 Å²	104	138.6 Å²	138.6	86%	0.86	76%	0.757	S	S	*	*			trans	-139.2	33	-176.5	0	0	0	0	0	113.8
3	E	33	Very low	37.3	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	75%	0.749	S	S	*	*			trans	-133.7	27.4	-167.3	-142	174.3	-161.7	0	0	114.4
4	I	37.6	Very low	37.3	Very low	156 Å²	156	135.3 Å²	135.3	80%	0.8	73%	0.73	S	S	*	*			trans	-118.5	11.1	-169.5	-58.5	178.7	0	0	0	114.5
5	V	39.8	Very low	37.1	Very low	137 Å²	137	134.1 Å²	134.1	83%	0.83	72%	0.722	S	S	*	*	S	Bend	trans	-110.3	-0.9	-167.1	-172.3	0	0	0	0	116.7
6	E	39.5	Very low	37.2	Very low	181 Å²	181	131.5 Å²	131.5	85%	0.846	70%	0.704	S	S	*	*	S	Bend	trans	-100.4	9.5	-171.3	-97.3	-179.1	173.4	0	0	117.9
7	T	42.3	Very low	37.4	Very low	120 Å²	120	127.5 Å²	127.5	74%	0.736	69%	0.689	S	S	*	*			trans	-104.4	16.1	-168.7	56.7	0	0	0	0	120.7
8	P	36.2	Very low	37.7	Very low	85 Å²	85	131.1 Å²	131.1	55%	0.552	69%	0.691	S	S	*	*	S	Bend	trans	-89.5	-32.5	174.4	9.8	4.9	0	0	0	115.7	A11 F12	P8-A11 PolarHBondContact O-N 3.24Å; P8-F12 PolarHBondContact O-N 2.93Å
9	D	39.2	Very low	37.9	Very low	125 Å²	125	127.6 Å²	127.6	67%	0.668	68%	0.679	S	S	*	*	H	α-helix	trans	-76	-33.3	-167.7	-71.8	-25.4	0	0	0	114	A11 F12 Q13	D9-A11 VanDerWaalsContact C-N 3.3Å; D9-A11 PolarHBondContact O-N 3.02Å; D9-F12 PolarHBondContact O-N 3.25Å; D9-Q13 PolarHBondContact O-N 3.36Å; D9-Q13 VanDerWaalsContact O-N 3.15Å
10	I	42	Very low	38.3	Very low	113 Å²	113	127.2 Å²	127.2	58%	0.579	67%	0.671	S	S	*	*	H	α-helix	trans	-71.3	-28.6	179	-57.8	172.3	0	0	0	111.1	N14	I10-N14 WeakPolarHBondContact O-CB 2.93Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-ND2 3.19Å
11	A	37.1	Very low	38.7	Very low	53 Å²	53	123.5 Å²	123.5	44%	0.438	66%	0.655	S	S	.	*	H	α-helix	trans	-73.8	-37	176.3	0	0	0	0	0	111.6	P8 D9 N14 L15	P8-A11 PolarHBondContact O-N 3.24Å; D9-A11 VanDerWaalsContact C-N 3.3Å; D9-A11 PolarHBondContact O-N 3.02Å; A11-N14 PolarHBondContact O-N 3.24Å; A11-L15 WeakPolarHBondContact O-CD1 3.38Å; A11-L15 PolarHBondContact O-N 2.98Å; A11-L15 VanDerWaalsContact O-N 3.07Å
12	F	36.2	Very low	39.5	Very low	149 Å²	149	114.7 Å²	114.7	65%	0.654	62%	0.618	S	S	*	*	H	α-helix	trans	-70.8	-43.6	179.7	-144	-91	0	0	0	111.9	P8 D9 N14 L15 E16	P8-F12 PolarHBondContact O-N 2.93Å; D9-F12 PolarHBondContact O-N 3.25Å; F12-N14 VanDerWaalsContact C-N 3.32Å; F12-N14 PolarHBondContact O-N 2.97Å; F12-L15 PolarHBondContact O-N 3.38Å; F12-E16 PolarHBondContact O-N 2.84Å
13	Q	38.6	Very low	40.5	Very low	141 Å²	141	114.1 Å²	114.1	66%	0.659	60%	0.6	S	S	*	*	H	α-helix	trans	-61.6	-37.4	173.9	-79.4	-176	-16.3	0	0	112.9	D9 E16 S17	D9-Q13 PolarHBondContact O-N 3.36Å; D9-Q13 VanDerWaalsContact O-N 3.15Å; Q13-E16 PolarHBondContact O-N 2.83Å; Q13-S17 PolarHBondContact O-N 2.68Å; Q13-S17 VanDerWaalsContact O-N 3.07Å; Q13-S17 PolarHBondContact O-OG 3.38Å
14	N	36.3	Very low	41.2	Very low	90 Å²	90	108.5 Å²	108.5	48%	0.481	57%	0.574	S	S	.	*	H	α-helix	trans	-72.2	-27.5	176.4	-83	-50.8	0	0	0	113.6	I10 A11 F12 S17 R18	I10-N14 WeakPolarHBondContact O-CB 2.93Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-ND2 3.19Å; A11-N14 PolarHBondContact O-N 3.24Å; F12-N14 VanDerWaalsContact C-N 3.32Å; F12-N14 PolarHBondContact O-N 2.97Å; N14-S17 PolarHBondContact O-OG 2.75Å; N14-R18 WeakPolarHBondContact O-CB 3.31Å; N14-R18 VanDerWaalsContact O-CG 3.3Å; N14-R18 WeakPolarHBondContact O-CG 3.28Å; N14-R18 PolarHBondContact O-N 2.89Å
15	L	35.1	Very low	42	Very low	117 Å²	117	105.7 Å²	105.7	61%	0.613	56%	0.556	S	S	*	*	H	α-helix	trans	-75.6	-39.5	173	-86.5	156.6	0	0	0	111.4	A11 F12 R18 S19	A11-L15 WeakPolarHBondContact O-CD1 3.38Å; A11-L15 PolarHBondContact O-N 2.98Å; A11-L15 VanDerWaalsContact O-N 3.07Å; F12-L15 PolarHBondContact O-N 3.38Å; L15-R18 PolarHBondContact O-N 2.91Å; L15-S19 WeakPolarHBondContact O-CB 3.5Å; L15-S19 PolarHBondContact O-N 3.16Å
16	E	38.3	Very low	42.7	Very low	93 Å²	93	108.2 Å²	108.2	44%	0.435	55%	0.551	S	S	.	*	H	α-helix	trans	-67.3	-41.4	178.5	-149	-170.2	147.2	0	0	111.9	F12 Q13 R18 S19 K20	F12-E16 PolarHBondContact O-N 2.84Å; Q13-E16 PolarHBondContact O-N 2.83Å; E16-R18 PolarHBondContact O-N 3.35Å; E16-S19 PolarHBondContact O-N 2.68Å; E16-K20 WeakPolarHBondContact O-CB 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.43Å; E16-K20 PolarHBondContact O-N 3.27Å; E16-K20 WeakPolarHBondContact OE1-CE 3.33Å; E16-K20 IonicContact OE1-NZ 2.79Å; E16-K20 PolarHBondContact OE1-NZ 3.15Å
17	S	40.8	Very low	43.4	Very low	63 Å²	63	102.4 Å²	102.4	44%	0.441	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-38	175.2	69.3	0	0	0	0	112.7	Q13 N14 S21	Q13-S17 PolarHBondContact O-N 2.68Å; Q13-S17 VanDerWaalsContact O-N 3.07Å; Q13-S17 PolarHBondContact O-OG 3.38Å; N14-S17 PolarHBondContact O-OG 2.75Å; S17-S21 WeakPolarHBondContact O-CB 3.24Å; S17-S21 PolarHBondContact O-N 3.04Å
18	R	42.2	Very low	44.1	Very low	193 Å²	193	98 Å²	98	73%	0.728	50%	0.497	S	S	*	.	H	α-helix	trans	-68.7	-37.9	175	-79.4	-179.4	171.1	-164.9	0.1	112.9	N14 L15 E16 S22	N14-R18 WeakPolarHBondContact O-CB 3.31Å; N14-R18 VanDerWaalsContact O-CG 3.3Å; N14-R18 WeakPolarHBondContact O-CG 3.28Å; N14-R18 PolarHBondContact O-N 2.89Å; L15-R18 PolarHBondContact O-N 2.91Å; E16-R18 PolarHBondContact O-N 3.35Å; R18-S22 WeakPolarHBondContact O-CB 3.37Å; R18-S22 PolarHBondContact O-N 2.96Å
19	S	42.5	Very low	45.3	Very low	65 Å²	65	100.3 Å²	100.3	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-47.5	174.9	-174.5	0	0	0	0	111	L15 E16 S21 S22 I23	L15-S19 WeakPolarHBondContact O-CB 3.5Å; L15-S19 PolarHBondContact O-N 3.16Å; E16-S19 PolarHBondContact O-N 2.68Å; S19-S21 PolarHBondContact O-N 2.88Å; S19-S22 PolarHBondContact O-N 3.15Å; S19-I23 WeakPolarHBondContact O-CG1 3.48Å; S19-I23 PolarHBondContact O-N 3.17Å
20	K	45.7	Very low	46.2	Very low	119 Å²	119	98.3 Å²	98.3	52%	0.517	49%	0.493	S	S	.	.	H	α-helix	trans	-57.5	-45.6	175.5	-73.1	175.4	-175.4	167.9	0	111.7	E16 S22 I23 M24	E16-K20 WeakPolarHBondContact O-CB 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.43Å; E16-K20 PolarHBondContact O-N 3.27Å; E16-K20 WeakPolarHBondContact OE1-CE 3.33Å; E16-K20 IonicContact OE1-NZ 2.79Å; E16-K20 PolarHBondContact OE1-NZ 3.15Å; K20-S22 PolarHBondContact O-N 2.99Å; K20-I23 PolarHBondContact O-N 2.93Å; K20-M24 WeakPolarHBondContact O-CB 3.35Å; K20-M24 PolarHBondContact O-N 3.01Å
21	S	46.9	Very low	46.9	Very low	49 Å²	49	96.1 Å²	96.1	34%	0.343	48%	0.48	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.7	-179.7	0	0	0	0	113	S17 S19 M24 K25	S17-S21 WeakPolarHBondContact O-CB 3.24Å; S17-S21 PolarHBondContact O-N 3.04Å; S19-S21 PolarHBondContact O-N 2.88Å; S21-M24 PolarHBondContact O-N 2.89Å; S21-K25 WeakPolarHBondContact O-CB 3.24Å; S21-K25 VanDerWaalsContact O-CG 3.24Å; S21-K25 WeakPolarHBondContact O-CG 3.39Å; S21-K25 PolarHBondContact O-N 3.28Å; S21-K25 WeakPolarHBondContact OG-CE 3.35Å
22	S	47.2	Very low	47.8	Very low	65 Å²	65	95 Å²	95	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-68.6	-40.4	180	-170.8	0	0	0	0	112.9	R18 S19 K20 K25 R26	R18-S22 WeakPolarHBondContact O-CB 3.37Å; R18-S22 PolarHBondContact O-N 2.96Å; S19-S22 PolarHBondContact O-N 3.15Å; K20-S22 PolarHBondContact O-N 2.99Å; S22-K25 PolarHBondContact O-N 3.03Å; S22-R26 PolarHBondContact O-N 3.04Å; S22-R26 VanDerWaalsContact O-N 3.08Å
23	I	53.3	Low	49.1	Very low	92 Å²	92	93.2 Å²	93.2	47%	0.472	46%	0.46	S	S	.	.	H	α-helix	trans	-66.9	-44.4	175.6	-66.3	166.2	0	0	0	110	S19 K20 K25 R26 L27	S19-I23 WeakPolarHBondContact O-CG1 3.48Å; S19-I23 PolarHBondContact O-N 3.17Å; K20-I23 PolarHBondContact O-N 2.93Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 2.84Å; I23-R26 PolarHBondContact O-N 3.31Å; I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.21Å
24	M	48.5	Very low	50.3	Low	72 Å²	72	92.3 Å²	92.3	36%	0.355	45%	0.454	S	S	.	.	H	α-helix	trans	-60.3	-42.2	175.9	-171.6	176.5	-96.8	0	0	111.1	K20 S21 R26 L27 I28 L441	K20-M24 WeakPolarHBondContact O-CB 3.35Å; K20-M24 PolarHBondContact O-N 3.01Å; S21-M24 PolarHBondContact O-N 2.89Å; M24-R26 PolarHBondContact O-N 3.29Å; M24-L27 PolarHBondContact O-N 2.8Å; M24-I28 HydrophobicContact CG-CD1 3.83Å; M24-I28 HydrophobicContact CG-CG1 4.4Å; M24-I28 WeakPolarHBondContact O-CB 3.4Å; M24-I28 VanDerWaalsContact O-CG1 3.25Å; M24-I28 WeakPolarHBondContact O-CG1 3.29Å; M24-I28 PolarHBondContact O-N 3.45Å; M24-L441 HydrophobicContact CE-CD1 3.94Å
25	K	54	Low	51.2	Low	98 Å²	98	92.3 Å²	92.3	43%	0.426	45%	0.448	S	S	.	.	H	α-helix	trans	-62.3	-41.7	174.9	-75.5	177.7	-170.3	-150.8	0	113.3	S21 S22 I23 L27 F29 E535	S21-K25 WeakPolarHBondContact O-CB 3.24Å; S21-K25 VanDerWaalsContact O-CG 3.24Å; S21-K25 WeakPolarHBondContact O-CG 3.39Å; S21-K25 PolarHBondContact O-N 3.28Å; S21-K25 WeakPolarHBondContact OG-CE 3.35Å; S22-K25 PolarHBondContact O-N 3.03Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 2.84Å; K25-L27 VanDerWaalsContact C-N 3.35Å; K25-F29 WeakPolarHBondContact O-CB 3.38Å; K25-F29 PolarHBondContact O-N 2.95Å; K25-E535 WeakPolarHBondContact CE-OE1 3.46Å; K25-E535 WeakPolarHBondContact CE-OE2 3.29Å; K25-E535 VanDerWaalsContact NZ-CD 3.31Å; K25-E535 IonicContact NZ-OE1 3.17Å; K25-E535 PolarHBondContact NZ-OE1 2.83Å; K25-E535 IonicContact NZ-OE2 3.19Å; K25-E535 PolarHBondContact NZ-OE2 2.74Å; K25-E535 VanDerWaalsContact NZ-OE2 3.13Å
26	R	55.4	Low	52.3	Low	190 Å²	190	93.7 Å²	93.7	72%	0.717	45%	0.449	S	S	*	.	H	α-helix	trans	-65.3	-39.3	174.3	-77	-174.9	-175	-163.3	1.6	112	S22 I23 M24 C30	S22-R26 PolarHBondContact O-N 3.04Å; S22-R26 VanDerWaalsContact O-N 3.08Å; I23-R26 PolarHBondContact O-N 3.31Å; M24-R26 PolarHBondContact O-N 3.29Å; R26-C30 WeakPolarHBondContact O-CB 3.49Å; R26-C30 PolarHBondContact O-N 3.04Å; R26-C30 PolarHBondContact O-SG 3.21Å
27	L	53.3	Low	53	Low	59 Å²	59	96.5 Å²	96.5	31%	0.309	46%	0.456	S	S	.	.	H	α-helix	trans	-65.2	-51.2	176.5	-75	164.5	0	0	0	110.6	I23 M24 K25 F29 C30 F31 K408	I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.21Å; M24-L27 PolarHBondContact O-N 2.8Å; K25-L27 VanDerWaalsContact C-N 3.35Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.37Å; L27-C30 PolarHBondContact O-N 2.81Å; L27-C30 VanDerWaalsContact O-N 3.11Å; L27-F31 HydrophobicContact CB-CD2 4.4Å; L27-F31 HydrophobicContact CB-CE2 4.49Å; L27-F31 HydrophobicContact CD2-CE2 4.25Å; L27-F31 WeakPolarHBondContact O-CD2 3.17Å; L27-F31 PolarHBondContact O-N 3.44Å; L27-K408 HydrophobicContact CD2-CD 4.13Å
28	I	58	Low	53.7	Low	27 Å²	27	98.1 Å²	98.1	14%	0.138	46%	0.457	C	S	.	.	H	α-helix	trans	-55.3	-44.9	177.3	-68.4	166.3	0	0	0	110.8	M24 F31 S32 V437	M24-I28 HydrophobicContact CG-CD1 3.83Å; M24-I28 HydrophobicContact CG-CG1 4.4Å; M24-I28 WeakPolarHBondContact O-CB 3.4Å; M24-I28 VanDerWaalsContact O-CG1 3.25Å; M24-I28 WeakPolarHBondContact O-CG1 3.29Å; M24-I28 PolarHBondContact O-N 3.45Å; I28-F31 PolarHBondContact O-N 3.49Å; I28-S32 VanDerWaalsContact O-CB 3.3Å; I28-S32 WeakPolarHBondContact O-CB 3.48Å; I28-S32 PolarHBondContact O-N 2.84Å; I28-V437 HydrophobicContact CG1-CG1 4.49Å
29	F	61.6	Low	54.2	Low	134 Å²	134	94.7 Å²	94.7	59%	0.588	45%	0.447	S	S	*	.	H	α-helix	trans	-62.9	-43.9	176.8	-176.6	-98.3	0	0	0	112.8	K25 L27 K33	K25-F29 WeakPolarHBondContact O-CB 3.38Å; K25-F29 PolarHBondContact O-N 2.95Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.37Å; F29-K33 HydrophobicContact CE1-CD 4.48Å; F29-K33 WeakPolarHBondContact O-CB 3.46Å; F29-K33 PolarHBondContact O-N 3.47Å
30	C	57.8	Low	54.6	Low	82 Å²	82	97.5 Å²	97.5	55%	0.554	45%	0.453	S	S	*	.	H	α-helix	trans	-65.1	-40.2	176.4	-79	0	0	0	0	112.3	R26 L27 K33 K34	R26-C30 WeakPolarHBondContact O-CB 3.49Å; R26-C30 PolarHBondContact O-N 3.04Å; R26-C30 PolarHBondContact O-SG 3.21Å; L27-C30 PolarHBondContact O-N 2.81Å; L27-C30 VanDerWaalsContact O-N 3.11Å; C30-K33 PolarHBondContact O-N 3.5Å; C30-K34 WeakPolarHBondContact O-CB 3.43Å; C30-K34 PolarHBondContact O-N 3.14Å
31	F	56.1	Low	54.7	Low	68 Å²	68	97 Å²	97	30%	0.298	46%	0.456	S	S	.	.	H	α-helix	trans	-67.3	-48	177.1	-85.5	-70.9	0	0	0	112.1	L27 I28 K33 K34 Y35 K408 E412	L27-F31 HydrophobicContact CB-CD2 4.4Å; L27-F31 HydrophobicContact CB-CE2 4.49Å; L27-F31 HydrophobicContact CD2-CE2 4.25Å; L27-F31 WeakPolarHBondContact O-CD2 3.17Å; L27-F31 PolarHBondContact O-N 3.44Å; I28-F31 PolarHBondContact O-N 3.49Å; F31-K33 VanDerWaalsContact C-N 3.25Å; F31-K33 PolarHBondContact O-N 2.98Å; F31-K34 PolarHBondContact O-N 3.44Å; F31-K34 VanDerWaalsContact O-N 3.1Å; F31-Y35 WeakPolarHBondContact O-CB 3.44Å; F31-Y35 PolarHBondContact O-N 3.07Å; F31-K408 HydrophobicContact CE2-CG 4.29Å; F31-K408 HydrophobicContact CZ-CG 4.41Å; F31-E412 HydrophobicContact CE1-CG 4.08Å; F31-E412 HydrophobicContact CZ-CG 4Å; F31-E412 WeakPolarHBondContact CZ-OE1 3.46Å
32	S	57	Low	54.9	Low	30 Å²	30	99.9 Å²	99.9	21%	0.21	47%	0.467	C	S	.	.	H	α-helix	trans	-52.5	-46.4	172.9	165.5	0	0	0	0	110.8	I28 K34 K36	I28-S32 VanDerWaalsContact O-CB 3.3Å; I28-S32 WeakPolarHBondContact O-CB 3.48Å; I28-S32 PolarHBondContact O-N 2.84Å; S32-K34 PolarHBondContact O-N 2.89Å; S32-K36 VanDerWaalsContact O-CB 3.27Å; S32-K36 WeakPolarHBondContact O-CB 3.28Å; S32-K36 PolarHBondContact O-N 3.25Å
33	K	63.5	Low	54.9	Low	110 Å²	110	99.2 Å²	99.2	48%	0.478	46%	0.463	S	S	.	.	H	α-helix	trans	-67.6	-35.3	178.9	-164	174	-176.1	174.6	0	113.4	F29 C30 F31 R37	F29-K33 HydrophobicContact CE1-CD 4.48Å; F29-K33 WeakPolarHBondContact O-CB 3.46Å; F29-K33 PolarHBondContact O-N 3.47Å; C30-K33 PolarHBondContact O-N 3.5Å; F31-K33 VanDerWaalsContact C-N 3.25Å; F31-K33 PolarHBondContact O-N 2.98Å; K33-R37 WeakPolarHBondContact O-CG 3.32Å; K33-R37 PolarHBondContact O-N 3.12Å
34	K	62.7	Low	54.8	Low	122 Å²	122	97.1 Å²	97.1	53%	0.53	46%	0.459	S	S	.	.	H	α-helix	trans	-72.7	-46	177	-167.8	-176	175.4	-162.7	0	111.3	C30 F31 S32 K36 R37 E38	C30-K34 WeakPolarHBondContact O-CB 3.43Å; C30-K34 PolarHBondContact O-N 3.14Å; F31-K34 PolarHBondContact O-N 3.44Å; F31-K34 VanDerWaalsContact O-N 3.1Å; S32-K34 PolarHBondContact O-N 2.89Å; K34-K36 VanDerWaalsContact C-N 3.34Å; K34-K36 PolarHBondContact O-N 2.99Å; K34-R37 WeakPolarHBondContact O-CA 3.32Å; K34-R37 WeakPolarHBondContact O-CB 3.32Å; K34-R37 PolarHBondContact O-N 3.25Å; K34-E38 VanDerWaalsContact CE-OE1 3.27Å; K34-E38 WeakPolarHBondContact CE-OE1 3.43Å; K34-E38 IonicContact NZ-OE1 3.82Å; K34-E38 PolarHBondContact O-N 3.1Å
35	Y	55.4	Low	54.7	Low	91 Å²	91	97.5 Å²	97.5	36%	0.357	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-41.9	176.3	-174.2	-108	0	0	0	111.9	F31 R37 E38 K39 F419	F31-Y35 WeakPolarHBondContact O-CB 3.44Å; F31-Y35 PolarHBondContact O-N 3.07Å; Y35-R37 VanDerWaalsContact C-N 3.26Å; Y35-R37 PolarHBondContact O-N 2.8Å; Y35-E38 PolarHBondContact O-N 2.85Å; Y35-K39 PolarHBondContact O-N 2.77Å; Y35-F419 HydrophobicContact CE1-CZ 4.17Å; Y35-F419 AromaticContact CZ-CZ 3.87Å; Y35-F419 WeakPolarHBondContact OH-CE1 3.4Å; Y35-F419 VanDerWaalsContact OH-CZ 3.31Å; Y35-F419 WeakPolarHBondContact OH-CZ 3.22Å
36	K	57.8	Low	54.2	Low	145 Å²	145	99 Å²	99	63%	0.63	47%	0.474	S	S	*	.	H	α-helix	trans	-63.9	-29.9	175.1	-147.1	170.3	-167.4	171.8	0	112.6	S32 K34 Q40	S32-K36 VanDerWaalsContact O-CB 3.27Å; S32-K36 WeakPolarHBondContact O-CB 3.28Å; S32-K36 PolarHBondContact O-N 3.25Å; K34-K36 VanDerWaalsContact C-N 3.34Å; K34-K36 PolarHBondContact O-N 2.99Å; K36-Q40 WeakPolarHBondContact O-CB 3.41Å; K36-Q40 WeakPolarHBondContact O-CG 3.49Å; K36-Q40 PolarHBondContact O-N 2.82Å
37	R	54.4	Low	53.9	Low	153 Å²	153	94.2 Å²	94.2	58%	0.577	46%	0.462	S	S	*	.	H	α-helix	trans	-76.3	-41.6	174.3	-78.8	176.1	176.9	179.6	-3.3	112.8	K33 K34 Y35 Q40 N41	K33-R37 WeakPolarHBondContact O-CG 3.32Å; K33-R37 PolarHBondContact O-N 3.12Å; K34-R37 WeakPolarHBondContact O-CA 3.32Å; K34-R37 WeakPolarHBondContact O-CB 3.32Å; K34-R37 PolarHBondContact O-N 3.25Å; Y35-R37 VanDerWaalsContact C-N 3.26Å; Y35-R37 PolarHBondContact O-N 2.8Å; R37-Q40 PolarHBondContact O-N 3.49Å; R37-N41 PolarHBondContact O-N 3.41Å
38	E	54.3	Low	53.5	Low	97 Å²	97	96.8 Å²	96.8	45%	0.453	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-44	176.8	-80.1	169.2	-178.3	0	0	110.8	K34 Y35 Q40 N41 D42	K34-E38 VanDerWaalsContact CE-OE1 3.27Å; K34-E38 WeakPolarHBondContact CE-OE1 3.43Å; K34-E38 IonicContact NZ-OE1 3.82Å; K34-E38 PolarHBondContact O-N 3.1Å; Y35-E38 PolarHBondContact O-N 2.85Å; E38-Q40 VanDerWaalsContact C-N 3.34Å; E38-Q40 PolarHBondContact O-N 2.94Å; E38-N41 PolarHBondContact O-N 3.03Å; E38-N41 VanDerWaalsContact O-N 3.13Å; E38-D42 PolarHBondContact O-N 3.39Å
39	K	52.2	Low	53	Low	121 Å²	121	100 Å²	100	53%	0.526	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-33.4	176.1	-152.6	178.6	-174.8	179.4	0	113.6	Y35 S43	Y35-K39 PolarHBondContact O-N 2.77Å; K39-S43 WeakPolarHBondContact O-CB 3.49Å; K39-S43 PolarHBondContact O-N 3.34Å; K39-S43 VanDerWaalsContact O-N 3.07Å; K39-S43 PolarHBondContact O-OG 2.94Å
40	Q	52.2	Low	52.4	Low	124 Å²	124	97.7 Å²	97.7	58%	0.579	49%	0.485	S	S	*	.	H	α-helix	trans	-67	-39.9	172.4	-86.2	179.6	-19.5	0	0	111.8	K36 R37 E38 S43 A44	K36-Q40 WeakPolarHBondContact O-CB 3.41Å; K36-Q40 WeakPolarHBondContact O-CG 3.49Å; K36-Q40 PolarHBondContact O-N 2.82Å; R37-Q40 PolarHBondContact O-N 3.49Å; E38-Q40 VanDerWaalsContact C-N 3.34Å; E38-Q40 PolarHBondContact O-N 2.94Å; Q40-S43 PolarHBondContact O-OG 2.61Å; Q40-A44 VanDerWaalsContact O-CB 3.31Å; Q40-A44 WeakPolarHBondContact O-CB 3.25Å; Q40-A44 PolarHBondContact O-N 3.34Å
41	N	47.5	Very low	51.8	Low	108 Å²	108	98.7 Å²	98.7	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-66.8	-43.3	175.7	-79.5	-7	0	0	0	112	R37 E38 A44 V45	R37-N41 PolarHBondContact O-N 3.41Å; E38-N41 PolarHBondContact O-N 3.03Å; E38-N41 VanDerWaalsContact O-N 3.13Å; N41-A44 PolarHBondContact O-N 2.86Å; N41-V45 VanDerWaalsContact O-CG2 3.25Å; N41-V45 WeakPolarHBondContact O-CG2 3.37Å; N41-V45 PolarHBondContact O-N 3.16Å
42	D	50.2	Low	51.2	Low	109 Å²	109	103 Å²	103	58%	0.583	50%	0.504	S	S	*	.	H	α-helix	trans	-64.7	-42.5	178.6	-70.7	-17	0	0	0	111.4	E38 A44 V45 E46	E38-D42 PolarHBondContact O-N 3.39Å; D42-A44 VanDerWaalsContact C-N 3.33Å; D42-A44 PolarHBondContact O-N 2.98Å; D42-V45 PolarHBondContact O-N 2.8Å; D42-E46 WeakPolarHBondContact O-CB 3.28Å; D42-E46 PolarHBondContact O-N 3.5Å
43	S	47.3	Very low	50.4	Low	51 Å²	51	107.3 Å²	107.3	36%	0.357	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-30.3	174.7	68.9	0	0	0	0	113.7	K39 Q40 N47	K39-S43 WeakPolarHBondContact O-CB 3.49Å; K39-S43 PolarHBondContact O-N 3.34Å; K39-S43 VanDerWaalsContact O-N 3.07Å; K39-S43 PolarHBondContact O-OG 2.94Å; Q40-S43 PolarHBondContact O-OG 2.61Å; S43-N47 WeakPolarHBondContact O-CB 3.27Å; S43-N47 VanDerWaalsContact O-CG 3.23Å; S43-N47 PolarHBondContact O-N 2.94Å; S43-N47 PolarHBondContact O-ND2 3.4Å
44	A	51.2	Low	49.5	Very low	48 Å²	48	107 Å²	107	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-73	-37.3	174.8	0	0	0	0	0	111.4	Q40 N41 D42 L48	Q40-A44 VanDerWaalsContact O-CB 3.31Å; Q40-A44 WeakPolarHBondContact O-CB 3.25Å; Q40-A44 PolarHBondContact O-N 3.34Å; N41-A44 PolarHBondContact O-N 2.86Å; D42-A44 VanDerWaalsContact C-N 3.33Å; D42-A44 PolarHBondContact O-N 2.98Å; A44-L48 WeakPolarHBondContact O-CB 3.29Å; A44-L48 WeakPolarHBondContact O-CD1 3.46Å; A44-L48 PolarHBondContact O-N 2.89Å
45	V	46.9	Very low	48.5	Very low	80 Å²	80	109.5 Å²	109.5	49%	0.485	55%	0.546	S	S	.	.	H	α-helix	trans	-68	-42	174.2	173.4	0	0	0	0	110.6	N41 D42 L48 I49	N41-V45 VanDerWaalsContact O-CG2 3.25Å; N41-V45 WeakPolarHBondContact O-CG2 3.37Å; N41-V45 PolarHBondContact O-N 3.16Å; D42-V45 PolarHBondContact O-N 2.8Å; V45-L48 PolarHBondContact O-N 3.28Å; V45-I49 HydrophobicContact CG1-CD1 3.85Å; V45-I49 WeakPolarHBondContact O-CD1 3.32Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.37Å; V45-I49 PolarHBondContact O-N 2.96Å
46	E	43.5	Very low	47.7	Very low	129 Å²	129	109.4 Å²	109.4	60%	0.603	56%	0.563	S	S	*	*	H	α-helix	trans	-65.1	-41.7	177.2	-156.7	168.9	-155.8	0	0	111.7	D42 L48 I49 I50	D42-E46 WeakPolarHBondContact O-CB 3.28Å; D42-E46 PolarHBondContact O-N 3.5Å; E46-L48 PolarHBondContact O-N 3.44Å; E46-I49 PolarHBondContact O-N 2.91Å; E46-I50 HydrophobicContact CG-CD1 4.21Å; E46-I50 WeakPolarHBondContact O-CD1 3.39Å; E46-I50 VanDerWaalsContact O-CG1 3.22Å; E46-I50 WeakPolarHBondContact O-CG1 3.44Å; E46-I50 PolarHBondContact O-N 2.93Å
47	N	48.4	Very low	46.6	Very low	90 Å²	90	105.8 Å²	105.8	48%	0.481	57%	0.568	S	S	.	*	H	α-helix	trans	-68.5	-29.6	173.5	-73.5	-39.7	0	0	0	113.6	S43 N51	S43-N47 WeakPolarHBondContact O-CB 3.27Å; S43-N47 VanDerWaalsContact O-CG 3.23Å; S43-N47 PolarHBondContact O-N 2.94Å; S43-N47 PolarHBondContact O-ND2 3.4Å; N47-N51 WeakPolarHBondContact O-CB 3.2Å; N47-N51 VanDerWaalsContact O-CG 3.29Å; N47-N51 PolarHBondContact O-N 3.2Å; N47-N51 PolarHBondContact O-ND2 3.36Å
48	L	45.1	Very low	45.7	Very low	114 Å²	114	105.6 Å²	105.6	60%	0.597	58%	0.578	S	S	*	*	H	α-helix	trans	-72.4	-31.6	174.1	-100.5	150.5	0	0	0	112.6	A44 V45 E46 K52	A44-L48 WeakPolarHBondContact O-CB 3.29Å; A44-L48 WeakPolarHBondContact O-CD1 3.46Å; A44-L48 PolarHBondContact O-N 2.89Å; V45-L48 PolarHBondContact O-N 3.28Å; E46-L48 PolarHBondContact O-N 3.44Å; L48-K52 WeakPolarHBondContact O-CB 3.44Å; L48-K52 PolarHBondContact O-N 3.5Å
49	I	48.6	Very low	44.8	Very low	93 Å²	93	111.1 Å²	111.1	48%	0.477	60%	0.601	S	S	.	*	H	α-helix	trans	-75.3	-44.6	175.3	-65	163.7	0	0	0	109.5	V45 E46 N51 K52 D53	V45-I49 HydrophobicContact CG1-CD1 3.85Å; V45-I49 WeakPolarHBondContact O-CD1 3.32Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.37Å; V45-I49 PolarHBondContact O-N 2.96Å; E46-I49 PolarHBondContact O-N 2.91Å; I49-N51 PolarHBondContact O-N 3.46Å; I49-K52 PolarHBondContact O-N 2.83Å; I49-D53 PolarHBondContact O-N 2.79Å
50	I	47.5	Very low	43.8	Very low	86 Å²	86	114.7 Å²	114.7	44%	0.441	62%	0.616	S	S	.	*	H	α-helix	trans	-64.3	-40.9	178.3	-65.5	164.3	0	0	0	111.9	E46 K52 D53 T54	E46-I50 HydrophobicContact CG-CD1 4.21Å; E46-I50 WeakPolarHBondContact O-CD1 3.39Å; E46-I50 VanDerWaalsContact O-CG1 3.22Å; E46-I50 WeakPolarHBondContact O-CG1 3.44Å; E46-I50 PolarHBondContact O-N 2.93Å; I50-K52 PolarHBondContact O-N 3.22Å; I50-D53 PolarHBondContact O-N 2.61Å; I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.03Å; I50-T54 VanDerWaalsContact O-N 3.1Å; I50-T54 PolarHBondContact O-OG1 3.29Å
51	N	46.2	Very low	42.9	Very low	104 Å²	104	115.8 Å²	115.8	56%	0.556	63%	0.626	S	S	*	*	H	α-helix	trans	-70.5	-29.2	177.7	-74.8	-24	0	0	0	113.1	N47 I49 E55	N47-N51 WeakPolarHBondContact O-CB 3.2Å; N47-N51 VanDerWaalsContact O-CG 3.29Å; N47-N51 PolarHBondContact O-N 3.2Å; N47-N51 PolarHBondContact O-ND2 3.36Å; I49-N51 PolarHBondContact O-N 3.46Å; N51-E55 PolarHBondContact O-N 3.09Å
52	K	42.6	Very low	42.3	Very low	158 Å²	158	118.6 Å²	118.6	69%	0.687	64%	0.641	S	S	*	*	H	α-helix	trans	-73.3	-32.5	173.7	-101	-179.3	171.7	176.4	0	113.2	L48 I49 I50	L48-K52 WeakPolarHBondContact O-CB 3.44Å; L48-K52 PolarHBondContact O-N 3.5Å; I49-K52 PolarHBondContact O-N 2.83Å; I50-K52 PolarHBondContact O-N 3.22Å
53	D	42	Very low	41.3	Very low	120 Å²	120	119.5 Å²	119.5	64%	0.642	65%	0.651	S	S	*	*	H	α-helix	trans	-81.9	-18.7	179.4	-66.8	-20.6	0	0	0	112.4	I49 I50	I49-D53 PolarHBondContact O-N 2.79Å; I50-D53 PolarHBondContact O-N 2.61Å
54	T	44.3	Very low	40.4	Very low	104 Å²	104	124.2 Å²	124.2	64%	0.638	67%	0.672	S	S	*	*	H	α-helix	trans	-90.5	-21.6	178	-40.7	0	0	0	0	113.2	I50	I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.03Å; I50-T54 VanDerWaalsContact O-N 3.1Å; I50-T54 PolarHBondContact O-OG1 3.29Å
55	E	41.6	Very low	39.5	Very low	175 Å²	175	131.8 Å²	131.8	82%	0.818	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-2.2	175.3	-73.5	-174	164.1	0	0	114.3	N51	N51-E55 PolarHBondContact O-N 3.09Å
56	A	39	Very low	38.6	Very low	88 Å²	88	137 Å²	137	73%	0.727	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	7.1	179.2	0	0	0	0	0	114.4
57	G	34.2	Very low	37.9	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	73%	0.727	S	S	*	*	S	Bend	trans	-101.3	-1	-168.5	0	0	0	0	0	117.6
58	D	34.8	Very low	36.9	Very low	149 Å²	149	141.3 Å²	141.3	80%	0.797	74%	0.741	S	S	*	*			trans	-147.1	90.6	-171.1	-140.5	2.5	0	0	0	112.5
59	K	35.8	Very low	36.1	Very low	213 Å²	213	145.5 Å²	145.5	93%	0.926	76%	0.757	S	S	*	*			trans	-176.6	87	157.2	-100.8	159.2	-167	-178.1	0	110.7
60	K	31.9	Very low	35.1	Very low	196 Å²	196	144.6 Å²	144.6	85%	0.852	77%	0.772	S	S	*	*			trans	-94.4	146.6	154.9	-93.3	179.8	175.6	174.7	0	108.5
61	N	31.5	Very low	34.4	Very low	147 Å²	147	149.7 Å²	149.7	79%	0.786	79%	0.793	S	S	*	*			trans	89.3	92.7	175.4	-54.1	-10.2	0	0	0	114.8
62	D	36	Very low	33.6	Very low	167 Å²	167	151.4 Å²	151.4	89%	0.893	81%	0.808	S	S	*	*				-174.9	122.7	99.3	-89.9	-21.3	0	0	0	111.1
63	T	29.9	Very low	33.3	Very low	128 Å²	128	153.5 Å²	153.5	79%	0.785	82%	0.817	S	S	*	*			trans	-87.5	143.6	176.1	-8.3	0	0	0	0	109.4
64	N	28.5	Very low	32.9	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	83%	0.827	S	S	*	*			trans	92	97.8	165.1	-54	-25	0	0	0	117.3
65	K	32	Very low	32.4	Very low	207 Å²	207	161.8 Å²	161.8	90%	0.9	84%	0.838	S	S	*	*				-178	117.9	110.1	-98.5	169.6	178.3	-178.1	0	110.6
66	Q	27	Very low	32.3	Very low	190 Å²	190	158.7 Å²	158.7	89%	0.888	83%	0.827	S	S	*	*			trans	-69.7	133.5	161	-73.2	168.1	-32.6	0	0	108.6
67	E	29.1	Very low	32.5	Very low	182 Å²	182	159.3 Å²	159.3	85%	0.85	82%	0.822	S	S	*	*			trans	179.3	102.7	145.9	-99.8	162.6	-161.9	0	0	108.3
68	T	27.2	Very low	33.3	Very low	128 Å²	128	162.2 Å²	162.2	79%	0.785	82%	0.82	S	S	*	*				78.9	79.5	102.6	-29.5	0	0	0	0	115
69	E	29.1	Very low	33.7	Very low	201 Å²	201	165.2 Å²	165.2	94%	0.939	82%	0.82	S	S	*	*			trans	-139.1	101.4	153	-77.7	-167.1	157.8	0	0	110
70	G	27.9	Very low	34.2	Very low	75 Å²	75	159.9 Å²	159.9	77%	0.773	80%	0.798	S	S	*	*			trans	-95.6	108.4	173.3	0	0	0	0	0	110.7
71	E	31.4	Very low	34.7	Very low	192 Å²	192	160 Å²	160	90%	0.897	79%	0.793	S	S	*	*			trans	-77.3	123.4	167.8	-87.9	-170.3	144.8	0	0	111.7	K73	E71-K73 PolarHBondContact O-N 3.38Å
72	T	29.7	Very low	35.7	Very low	140 Å²	140	158.1 Å²	158.1	86%	0.859	78%	0.782	S	S	*	*			trans	-77.7	98.3	-177.2	17.4	0	0	0	0	111.4	K74	T72-K74 PolarHBondContact O-N 3.34Å
73	K	36.1	Very low	36.1	Very low	202 Å²	202	158 Å²	158	88%	0.878	78%	0.776	S	S	*	*			trans	-80	102.8	166.7	-80.8	-178.6	178.1	172.8	0	111	E71 K75	E71-K73 PolarHBondContact O-N 3.38Å; K73-K75 PolarHBondContact O-N 2.87Å
74	K	34.7	Very low	36.5	Very low	197 Å²	197	158.1 Å²	158.1	86%	0.857	77%	0.772	S	S	*	*			trans	-50.4	119.2	170.2	-84.6	175.8	173.8	172.5	0	111.4	T72 L76	T72-K74 PolarHBondContact O-N 3.34Å; K74-L76 PolarHBondContact O-N 2.82Å
75	K	32.3	Very low	37.2	Very low	202 Å²	202	156.5 Å²	156.5	88%	0.878	76%	0.762	S	S	*	*			trans	-68.6	113.1	167.8	-81.6	178.7	174.4	175.8	0	109.6	K73	K73-K75 PolarHBondContact O-N 2.87Å
76	L	40.9	Very low	37.7	Very low	109 Å²	109	150.3 Å²	150.3	57%	0.571	74%	0.743	S	S	*	*			trans	-66.3	133.5	168.1	-91.5	92.7	0	0	0	110.9	K74 Q80	K74-L76 PolarHBondContact O-N 2.82Å; L76-Q80 HydrophobicContact CD2-CB 3.9Å
77	T	42	Very low	38.7	Very low	102 Å²	102	145.8 Å²	145.8	63%	0.626	73%	0.732	S	S	*	*			trans	-70.2	142.9	178.7	-34.2	0	0	0	0	111.1	R79 Q80	T77-R79 PolarHBondContact O-N 3.46Å; T77-Q80 PolarHBondContact O-N 2.7Å
78	I	51.1	Low	39.9	Very low	131 Å²	131	142.6 Å²	142.6	67%	0.672	72%	0.721	S	S	*	*	H	α-helix	trans	-48.4	-31.7	-175.2	-66	167.4	0	0	0	113.7	Q80 R81 I82	I78-Q80 VanDerWaalsContact C-N 3.34Å; I78-Q80 PolarHBondContact O-N 3.32Å; I78-R81 PolarHBondContact O-N 2.97Å; I78-I82 HydrophobicContact CG2-CD1 4.07Å; I78-I82 WeakPolarHBondContact O-CG1 3.36Å; I78-I82 PolarHBondContact O-N 3.21Å
79	R	44.1	Very low	41.1	Very low	212 Å²	212	141.8 Å²	141.8	80%	0.8	71%	0.711	S	S	*	*	H	α-helix	trans	-62.9	-32.3	176.1	-74.5	-173.2	173.3	-177.5	-1.9	114.2	T77 Q83	T77-R79 PolarHBondContact O-N 3.46Å; R79-Q83 PolarHBondContact O-N 2.96Å
80	Q	45.2	Very low	42.2	Very low	100 Å²	100	139.6 Å²	139.6	47%	0.467	70%	0.699	S	S	.	*	H	α-helix	trans	-79.1	-23.2	176.3	-71.5	175	-30.1	0	0	112.7	L76 T77 I78	L76-Q80 HydrophobicContact CD2-CB 3.9Å; T77-Q80 PolarHBondContact O-N 2.7Å; I78-Q80 VanDerWaalsContact C-N 3.34Å; I78-Q80 PolarHBondContact O-N 3.32Å
81	R	43.5	Very low	43.9	Very low	199 Å²	199	141.5 Å²	141.5	75%	0.751	69%	0.691	S	S	*	*	H	α-helix	trans	-73	-30	170.8	-92.1	-179.6	174.1	175.3	-2.4	112.8	I78	I78-R81 PolarHBondContact O-N 2.97Å
82	I	51.5	Low	45.8	Very low	107 Å²	107	135.9 Å²	135.9	55%	0.549	67%	0.667	S	S	.	*	H	α-helix	trans	-77	-28.2	178.9	-64.3	169.3	0	0	0	111.6	I78 I85	I78-I82 HydrophobicContact CG2-CD1 4.07Å; I78-I82 WeakPolarHBondContact O-CG1 3.36Å; I78-I82 PolarHBondContact O-N 3.21Å; I82-I85 HydrophobicContact CG2-CD1 4.48Å; I82-I85 WeakPolarHBondContact O-CD1 3.35Å; I82-I85 WeakPolarHBondContact O-CG1 3.25Å
83	Q	44.9	Very low	48.3	Very low	164 Å²	164	130.6 Å²	130.6	77%	0.766	63%	0.634	S	S	*	*	H	α-helix	trans	-78.4	-16.4	175.1	-82.9	178.8	-23.8	0	0	114.4	R79	R79-Q83 PolarHBondContact O-N 2.96Å
84	N	38.3	Very low	50.6	Low	131 Å²	131	122.4 Å²	122.4	70%	0.701	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	23.3	177.1	-80.9	-3.7	0	0	0	113.6	P86	N84-P86 WeakPolarHBondContact O-CD 3.39Å
85	I	44.1	Very low	52.9	Low	115 Å²	115	114.5 Å²	114.5	59%	0.59	57%	0.567	S	S	*	*			trans	-64.1	118.4	167.2	-65	168.7	0	0	0	106.8	I82 S87	I82-I85 HydrophobicContact CG2-CD1 4.48Å; I82-I85 WeakPolarHBondContact O-CD1 3.35Å; I82-I85 WeakPolarHBondContact O-CG1 3.25Å; I85-S87 PolarHBondContact O-N 3.45Å
86	P	41.7	Very low	55.4	Low	77 Å²	77	106.8 Å²	106.8	50%	0.5	54%	0.539	S	S	.	.			trans	-63.1	139.6	-165.7	25	-33.2	0	0	0	110.6	N84 N88	N84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-N88 HydrophobicContact CB-CB 4.07Å; P86-N88 HydrophobicContact CG-CB 4.34Å; P86-N88 PolarHBondContact O-N 2.91Å
87	S	47.6	Very low	57.4	Low	96 Å²	96	105.3 Å²	105.3	67%	0.671	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-54	-2.3	167.6	42.6	0	0	0	0	114.5	I85 L89 K90	I85-S87 PolarHBondContact O-N 3.45Å; S87-L89 VanDerWaalsContact C-N 3.27Å; S87-L89 PolarHBondContact O-N 3.49Å; S87-K90 PolarHBondContact O-N 3.03Å; S87-K90 VanDerWaalsContact O-N 3.11Å
88	N	53.6	Low	59.5	Low	115 Å²	115	105.7 Å²	105.7	62%	0.615	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-58.7	-25.5	-179.6	-72.2	-6.5	0	0	0	115	P86 K90 D91 L92	P86-N88 HydrophobicContact CB-CB 4.07Å; P86-N88 HydrophobicContact CG-CB 4.34Å; P86-N88 PolarHBondContact O-N 2.91Å; N88-K90 VanDerWaalsContact C-N 3.26Å; N88-K90 PolarHBondContact O-N 3.14Å; N88-D91 PolarHBondContact O-N 3.23Å; N88-L92 PolarHBondContact O-N 3.25Å
89	L	53.8	Low	61.3	Low	111 Å²	111	102.3 Å²	102.3	58%	0.581	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-67.6	-27.1	176	-90.4	154.8	0	0	0	112.7	S87 D91 L92	S87-L89 VanDerWaalsContact C-N 3.27Å; S87-L89 PolarHBondContact O-N 3.49Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.15Å; L89-L92 HydrophobicContact CD2-CD2 4.38Å
90	K	51.3	Low	63.5	Low	155 Å²	155	94.7 Å²	94.7	67%	0.674	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.4	-179.6	-73.2	-175.2	177.4	-179.6	0	111.3	S87 N88 R156 K169	S87-K90 PolarHBondContact O-N 3.03Å; S87-K90 VanDerWaalsContact O-N 3.11Å; N88-K90 VanDerWaalsContact C-N 3.26Å; N88-K90 PolarHBondContact O-N 3.14Å; K90-R156 PolarHBondContact O-NH1 3.09Å; K90-K169 WeakPolarHBondContact O-CE 3.27Å; K90-K169 PolarHBondContact O-NZ 3.31Å
91	D	64	Low	65.7	Low	115 Å²	115	90.3 Å²	90.3	62%	0.615	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	9.1	-176.5	-63.1	-27.2	0	0	0	114	N88 L89 V93 K169	N88-D91 PolarHBondContact O-N 3.23Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.15Å; D91-V93 PolarHBondContact O-N 3.45Å; D91-K169 IonicContact OD1-NZ 2.81Å; D91-K169 PolarHBondContact OD1-NZ 3.16Å
92	L	71.8	Confident	68	Low	74 Å²	74	82.5 Å²	82.5	39%	0.387	46%	0.457	S	S	.	.			trans	-64	110.4	175.9	-167.3	71.2	0	0	0	109.9	N88 L89 I94 R156	N88-L92 PolarHBondContact O-N 3.25Å; L89-L92 HydrophobicContact CD2-CD2 4.38Å; L92-I94 HydrophobicContact CD2-CG1 4.48Å; L92-I94 HydrophobicContact CG-CG1 4.31Å; L92-R156 WeakPolarHBondContact O-CD 3.44Å; L92-R156 PolarHBondContact O-NH1 3.05Å
93	V	81.2	Confident	70	Confident	28 Å²	28	84.6 Å²	84.6	17%	0.17	46%	0.459	C	S	.	.			trans	-114.1	124.2	164.7	175.4	0	0	0	0	105.7	D91 R167 L172	D91-V93 PolarHBondContact O-N 3.45Å; V93-R167 HydrophobicContact CG1-CG 4.26Å; V93-R167 HydrophobicContact CG2-CB 4.14Å; V93-R167 WeakPolarHBondContact CG2-O 3.48Å; V93-L172 HydrophobicContact CG1-CD1 3.87Å; V93-L172 HydrophobicContact CG2-CD1 4.24Å
94	I	84.4	Confident	72.4	Confident	30 Å²	30	79.7 Å²	79.7	15%	0.154	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-91.1	115	-177.1	-63.7	170.1	0	0	0	107.1	L92 Y101 V153 R156 T157 G158	L92-I94 HydrophobicContact CD2-CG1 4.48Å; L92-I94 HydrophobicContact CG-CG1 4.31Å; I94-Y101 HydrophobicContact CG2-CD2 3.79Å; I94-Y101 HydrophobicContact CG2-CG 4.13Å; I94-V153 HydrophobicContact CD1-CB 4.13Å; I94-V153 HydrophobicContact CD1-CG1 3.76Å; I94-V153 HydrophobicContact CD1-CG2 3.85Å; I94-R156 HydrophobicContact CD1-CB 4.38Å; I94-R156 HydrophobicContact CG1-CB 4.48Å; I94-R156 PolarHBondContact N-O 3.48Å; I94-T157 WeakPolarHBondContact O-CA 3.31Å; I94-G158 PolarHBondContact O-N 3.35Å
95	D	84.3	Confident	75.1	Confident	31 Å²	31	73.4 Å²	73.4	17%	0.166	40%	0.4	C	S	.	.			trans	-75.7	127.6	172.6	-171.7	-5.8	0	0	0	109.6	S97 E98 L165	D95-S97 PolarHBondContact O-N 2.99Å; D95-S97 WeakPolarHBondContact OD1-CB 3.34Å; D95-S97 PolarHBondContact OD1-N 3.19Å; D95-S97 PolarHBondContact OD1-OG 2.57Å; D95-S97 PolarHBondContact OD2-OG 3.3Å; D95-E98 HydrophobicContact CB-CB 4.41Å; D95-E98 HydrophobicContact CB-CG 3.94Å; D95-E98 PolarHBondContact O-N 2.55Å; D95-L165 HydrophobicContact CB-CD2 3.81Å
96	S	83.9	Confident	77.5	Confident	41 Å²	41	68.4 Å²	68.4	29%	0.287	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.1	174.8	69.3	0	0	0	0	113.5	R225	S96-R225 PolarHBondContact O-NH1 2.87Å
97	S	83.2	Confident	80.1	Confident	77 Å²	77	68.8 Å²	68.8	54%	0.538	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-25.6	178.3	82.3	0	0	0	0	113	D95 R229	D95-S97 PolarHBondContact O-N 2.99Å; D95-S97 WeakPolarHBondContact OD1-CB 3.34Å; D95-S97 PolarHBondContact OD1-N 3.19Å; D95-S97 PolarHBondContact OD1-OG 2.57Å; D95-S97 PolarHBondContact OD2-OG 3.3Å; S97-R229 PolarHBondContact O-NH2 3.02Å
98	E	86	Confident	82.4	Confident	110 Å²	110	64.2 Å²	64.2	51%	0.514	34%	0.342	S	S	.	.	S	Bend	trans	-71.2	148.3	-175.4	-78.5	-179.2	-172.2	0	0	112.4	D95 G100 Y101	D95-E98 HydrophobicContact CB-CB 4.41Å; D95-E98 HydrophobicContact CB-CG 3.94Å; D95-E98 PolarHBondContact O-N 2.55Å; E98-G100 PolarHBondContact O-N 2.98Å; E98-Y101 PolarHBondContact O-N 2.7Å
99	S	89.8	Confident	84.3	Confident	61 Å²	61	59.5 Å²	59.5	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-27.3	177.6	-64.9	0	0	0	0	113.2	Y101 Y102 Y103	S99-Y101 PolarHBondContact O-N 2.71Å; S99-Y102 WeakPolarHBondContact O-CB 3.47Å; S99-Y102 PolarHBondContact O-N 2.76Å; S99-Y103 WeakPolarHBondContact O-CD2 3.39Å; S99-Y103 PolarHBondContact O-N 2.93Å; S99-Y103 VanDerWaalsContact O-N 3.11Å
100	G	89.2	Confident	86.3	Confident	51 Å²	51	59.9 Å²	59.9	53%	0.526	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-45.1	178	0	0	0	0	0	112.8	E98 Y103 W104	E98-G100 PolarHBondContact O-N 2.98Å; G100-Y103 PolarHBondContact O-N 3.1Å; G100-W104 PolarHBondContact O-N 3.45Å; G100-W104 VanDerWaalsContact O-N 3.07Å
101	Y	91.4	Very high	88.4	Confident	8 Å²	8	53.3 Å²	53.3	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-37.6	177.2	-178.3	-106.1	0	0	0	111.9	I94 E98 S99 Y103 W104 I105 V153 T157 R218 E221 R225	I94-Y101 HydrophobicContact CG2-CD2 3.79Å; I94-Y101 HydrophobicContact CG2-CG 4.13Å; E98-Y101 PolarHBondContact O-N 2.7Å; S99-Y101 PolarHBondContact O-N 2.71Å; Y101-Y103 PolarHBondContact O-N 2.87Å; Y101-W104 WeakPolarHBondContact O-CB 3.34Å; Y101-W104 PolarHBondContact O-N 3.38Å; Y101-I105 HydrophobicContact CD1-CD1 3.57Å; Y101-I105 HydrophobicContact CD1-CG1 4.23Å; Y101-I105 HydrophobicContact CE1-CD1 3.07Å; Y101-I105 HydrophobicContact CE1-CG1 3.84Å; Y101-I105 HydrophobicContact CE2-CD1 4.29Å; Y101-I105 HydrophobicContact CE2-CG1 4.18Å; Y101-I105 HydrophobicContact CG-CD1 4.36Å; Y101-I105 VanDerWaalsContact CZ-CD1 3.49Å; Y101-I105 WeakPolarHBondContact O-CG1 3.42Å; Y101-I105 PolarHBondContact O-N 3.35Å; Y101-V153 HydrophobicContact CD2-CG1 4Å; Y101-V153 HydrophobicContact CE2-CG1 3.87Å; Y101-T157 HydrophobicContact CE2-CG2 4.33Å; Y101-R218 PolarHBondContact OH-NH1 2.94Å; Y101-E221 PolarHBondContact OH-OE1 3.21Å; Y101-E221 VanDerWaalsContact OH-OE1 3.05Å; Y101-E221 PolarHBondContact OH-OE2 3.06Å; Y101-R225 VanDerWaalsContact CD1-NH1 3.3Å; Y101-R225 VanDerWaalsContact CE1-CZ 3.44Å; Y101-R225 VanDerWaalsContact CE1-NH2 3.31Å
102	Y	92.7	Very high	89.8	Confident	36 Å²	36	48.1 Å²	48.1	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-48.4	174.3	170.6	-101.3	0	0	0	112.5	S99 W104 I105 G106 F222 R225 T226	S99-Y102 WeakPolarHBondContact O-CB 3.47Å; S99-Y102 PolarHBondContact O-N 2.76Å; Y102-W104 VanDerWaalsContact C-N 3.31Å; Y102-W104 PolarHBondContact O-N 3.05Å; Y102-I105 PolarHBondContact O-N 2.93Å; Y102-G106 PolarHBondContact O-N 3.33Å; Y102-F222 HydrophobicContact CD2-CE2 4.48Å; Y102-F222 HydrophobicContact CE2-CD2 4.26Å; Y102-F222 AromaticContact CE2-CE2 3.85Å; Y102-F222 HydrophobicContact CE2-CE2 3.85Å; Y102-F222 AromaticContact CZ-CE2 3.95Å; Y102-R225 HydrophobicContact CD2-CB 4.15Å; Y102-R225 HydrophobicContact CE2-CB 4.31Å; Y102-T226 WeakPolarHBondContact CE2-OG1 3.37Å; Y102-T226 PolarHBondContact OH-OG1 3.42Å
103	Y	93.6	Very high	90.9	Very high	150 Å²	150	48 Å²	48	59%	0.588	26%	0.263	S	S	*	.	H	α-helix	trans	-65.3	-36.1	177.6	-64	-58.9	0	0	0	112.1	S99 G100 Y101 G106 I107	S99-Y103 WeakPolarHBondContact O-CD2 3.39Å; S99-Y103 PolarHBondContact O-N 2.93Å; S99-Y103 VanDerWaalsContact O-N 3.11Å; G100-Y103 PolarHBondContact O-N 3.1Å; Y101-Y103 PolarHBondContact O-N 2.87Å; Y103-G106 WeakPolarHBondContact O-CA 3.31Å; Y103-G106 PolarHBondContact O-N 3.5Å; Y103-I107 WeakPolarHBondContact O-CG1 3.27Å; Y103-I107 PolarHBondContact O-N 2.83Å
104	W	94.8	Very high	91.5	Very high	61 Å²	61	49.4 Å²	49.4	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-49.3	175.1	178.7	-100	0	0	0	112.3	G100 Y101 Y102 G106 I107 V108 V146 M149 D150 V153	G100-W104 PolarHBondContact O-N 3.45Å; G100-W104 VanDerWaalsContact O-N 3.07Å; Y101-W104 WeakPolarHBondContact O-CB 3.34Å; Y101-W104 PolarHBondContact O-N 3.38Å; Y102-W104 VanDerWaalsContact C-N 3.31Å; Y102-W104 PolarHBondContact O-N 3.05Å; W104-G106 PolarHBondContact O-N 2.7Å; W104-I107 WeakPolarHBondContact O-CB 3.27Å; W104-I107 PolarHBondContact O-N 3.44Å; W104-I107 VanDerWaalsContact O-N 3.09Å; W104-V108 HydrophobicContact CZ2-CG2 4.33Å; W104-V108 WeakPolarHBondContact O-CG2 3.4Å; W104-V108 PolarHBondContact O-N 3.11Å; W104-V146 HydrophobicContact CH2-CG1 4.46Å; W104-M149 HydrophobicContact CH2-CB 3.57Å; W104-M149 HydrophobicContact CZ2-CB 3.72Å; W104-D150 HydrophobicContact CZ2-CB 4.28Å; W104-D150 PolarHBondContact NE1-OD1 3.3Å; W104-V153 HydrophobicContact CD2-CG2 4.34Å; W104-V153 HydrophobicContact CZ2-CG2 4.26Å
105	I	94	Very high	92	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-34.9	175.6	-56	164.8	0	0	0	110.4	Y101 Y102 I107 V108 T109 R218 E221 F222	Y101-I105 HydrophobicContact CD1-CD1 3.57Å; Y101-I105 HydrophobicContact CD1-CG1 4.23Å; Y101-I105 HydrophobicContact CE1-CD1 3.07Å; Y101-I105 HydrophobicContact CE1-CG1 3.84Å; Y101-I105 HydrophobicContact CE2-CD1 4.29Å; Y101-I105 HydrophobicContact CE2-CG1 4.18Å; Y101-I105 HydrophobicContact CG-CD1 4.36Å; Y101-I105 VanDerWaalsContact CZ-CD1 3.49Å; Y101-I105 WeakPolarHBondContact O-CG1 3.42Å; Y101-I105 PolarHBondContact O-N 3.35Å; Y102-I105 PolarHBondContact O-N 2.93Å; I105-I107 PolarHBondContact O-N 3.35Å; I105-V108 PolarHBondContact O-N 2.9Å; I105-T109 WeakPolarHBondContact O-CB 3.39Å; I105-T109 PolarHBondContact O-N 2.91Å; I105-T109 PolarHBondContact O-OG1 2.81Å; I105-R218 WeakPolarHBondContact CG2-O 3.22Å; I105-E221 HydrophobicContact CD1-CG 4.14Å; I105-F222 HydrophobicContact CB-CD2 4.45Å; I105-F222 HydrophobicContact CG2-CB 3.75Å; I105-F222 HydrophobicContact CG2-CD2 4.31Å; I105-F222 HydrophobicContact CG2-CG 4.49Å
106	G	94.7	Very high	92.4	Very high	9 Å²	9	47.5 Å²	47.5	9%	0.093	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-45.8	172.9	0	0	0	0	0	112.9	Y102 Y103 W104 T109 I110	Y102-G106 PolarHBondContact O-N 3.33Å; Y103-G106 WeakPolarHBondContact O-CA 3.31Å; Y103-G106 PolarHBondContact O-N 3.5Å; W104-G106 PolarHBondContact O-N 2.7Å; G106-T109 PolarHBondContact O-N 3.43Å; G106-I110 WeakPolarHBondContact O-CG1 3.35Å; G106-I110 PolarHBondContact O-N 2.89Å
107	I	96	Very high	92.9	Very high	85 Å²	85	48.7 Å²	48.7	44%	0.436	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-47.3	175.2	-65.4	167.3	0	0	0	110.5	Y103 W104 I105 T109 I110 T111 V146	Y103-I107 WeakPolarHBondContact O-CG1 3.27Å; Y103-I107 PolarHBondContact O-N 2.83Å; W104-I107 WeakPolarHBondContact O-CB 3.27Å; W104-I107 PolarHBondContact O-N 3.44Å; W104-I107 VanDerWaalsContact O-N 3.09Å; I105-I107 PolarHBondContact O-N 3.35Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 2.92Å; I107-I110 PolarHBondContact O-N 3.47Å; I107-T111 PolarHBondContact O-N 2.79Å; I107-T111 VanDerWaalsContact O-N 3.14Å; I107-V146 HydrophobicContact CG2-CG1 4.35Å
108	V	95.9	Very high	93.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-36.7	177.3	177.9	0	0	0	0	111.3	W104 I105 T111 V112 V146 Y147 D150 K215 R218	W104-V108 HydrophobicContact CZ2-CG2 4.33Å; W104-V108 WeakPolarHBondContact O-CG2 3.4Å; W104-V108 PolarHBondContact O-N 3.11Å; I105-V108 PolarHBondContact O-N 2.9Å; V108-T111 PolarHBondContact O-N 3.2Å; V108-T111 PolarHBondContact O-OG1 3.35Å; V108-V112 HydrophobicContact CG1-CG2 4.49Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.41Å; V108-V146 HydrophobicContact CG2-CG1 4.15Å; V108-Y147 HydrophobicContact CG1-CE1 4.33Å; V108-D150 HydrophobicContact CG2-CB 4.13Å; V108-K215 HydrophobicContact CG1-CG 4.37Å; V108-R218 HydrophobicContact CG1-CB 4.1Å; V108-R218 HydrophobicContact CG1-CG 4.24Å
109	T	94.9	Very high	93.6	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-37.9	178.8	-61.2	0	0	0	0	111.9	I105 G106 I107 T111 V112 L113 F222	I105-T109 WeakPolarHBondContact O-CB 3.39Å; I105-T109 PolarHBondContact O-N 2.91Å; I105-T109 PolarHBondContact O-OG1 2.81Å; G106-T109 PolarHBondContact O-N 3.43Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 2.92Å; T109-T111 VanDerWaalsContact C-N 3.33Å; T109-V112 PolarHBondContact O-N 2.99Å; T109-L113 WeakPolarHBondContact O-CB 3.46Å; T109-L113 PolarHBondContact O-N 2.94Å; T109-F222 HydrophobicContact CG2-CB 4.29Å; T109-F222 HydrophobicContact CG2-CD1 3.82Å; T109-F222 HydrophobicContact CG2-CG 4.24Å; T109-F222 VanDerWaalsContact OG1-CB 3.23Å; T109-F222 WeakPolarHBondContact OG1-CB 3.4Å
110	I	95.1	Very high	93.8	Very high	120 Å²	120	38 Å²	38	62%	0.615	20%	0.197	S	C	*	.	H	α-helix	trans	-63.2	-41	174.3	-68	164.9	0	0	0	110.6	G106 I107 L113 Y114	G106-I110 WeakPolarHBondContact O-CG1 3.35Å; G106-I110 PolarHBondContact O-N 2.89Å; I107-I110 PolarHBondContact O-N 3.47Å; I110-L113 PolarHBondContact O-N 3.41Å; I110-Y114 PolarHBondContact O-N 3.32Å
111	T	95.4	Very high	93.9	Very high	17 Å²	17	37.1 Å²	37.1	10%	0.104	18%	0.179	C	C	.	.	H	α-helix	trans	-70	-35.2	177.9	61.9	0	0	0	0	112.7	I107 V108 T109 Y114 N115 I143 V146 Y147	I107-T111 PolarHBondContact O-N 2.79Å; I107-T111 VanDerWaalsContact O-N 3.14Å; V108-T111 PolarHBondContact O-N 3.2Å; V108-T111 PolarHBondContact O-OG1 3.35Å; T109-T111 VanDerWaalsContact C-N 3.33Å; T111-Y114 PolarHBondContact O-N 2.91Å; T111-N115 PolarHBondContact O-N 3.44Å; T111-N115 PolarHBondContact O-ND2 2.91Å; T111-I143 HydrophobicContact CG2-CG1 4.09Å; T111-I143 HydrophobicContact CG2-CG2 4.36Å; T111-V146 HydrophobicContact CG2-CB 4.49Å; T111-V146 HydrophobicContact CG2-CG1 4.26Å; T111-V146 HydrophobicContact CG2-CG2 4.49Å; T111-Y147 WeakPolarHBondContact OG1-CE1 3.29Å
112	V	94.7	Very high	93.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-45.8	171	173.6	0	0	0	0	111	V108 T109 Y114 N115 A116 Y147 K215 S219	V108-V112 HydrophobicContact CG1-CG2 4.49Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.41Å; T109-V112 PolarHBondContact O-N 2.99Å; V112-Y114 VanDerWaalsContact C-N 3.34Å; V112-Y114 PolarHBondContact O-N 3.49Å; V112-N115 PolarHBondContact O-N 2.85Å; V112-A116 WeakPolarHBondContact O-CB 3.37Å; V112-A116 PolarHBondContact O-N 2.87Å; V112-Y147 HydrophobicContact CG2-CE1 4.18Å; V112-Y147 WeakPolarHBondContact CG2-OH 3.46Å; V112-K215 HydrophobicContact CG2-CB 3.94Å; V112-K215 HydrophobicContact CG2-CG 4.08Å; V112-S219 WeakPolarHBondContact CG1-OG 3.43Å
113	L	94.1	Very high	93.7	Very high	73 Å²	73	37.3 Å²	37.3	38%	0.382	19%	0.187	S	C	.	.	H	α-helix	trans	-62.8	-41.1	178.1	-178.9	61.7	0	0	0	111.6	T109 I110 A116 I117 T243 V247	T109-L113 WeakPolarHBondContact O-CB 3.46Å; T109-L113 PolarHBondContact O-N 2.94Å; I110-L113 PolarHBondContact O-N 3.41Å; L113-A116 PolarHBondContact O-N 2.84Å; L113-I117 HydrophobicContact CD1-CD1 4.05Å; L113-I117 HydrophobicContact CD1-CG1 4.47Å; L113-I117 HydrophobicContact CG-CD1 4.14Å; L113-I117 WeakPolarHBondContact O-CG1 3.35Å; L113-I117 PolarHBondContact O-N 3Å; L113-I117 VanDerWaalsContact O-N 3.15Å; L113-T243 HydrophobicContact CD1-CG2 4.46Å; L113-V247 HydrophobicContact CD1-CG2 4.11Å
114	Y	94.5	Very high	93.5	Very high	57 Å²	57	30.4 Å²	30.4	22%	0.224	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-50.3	172.3	170.8	-86	0	0	0	111.2	I110 T111 V112 A116 I117 V118 W136 I143	I110-Y114 PolarHBondContact O-N 3.32Å; T111-Y114 PolarHBondContact O-N 2.91Å; V112-Y114 VanDerWaalsContact C-N 3.34Å; V112-Y114 PolarHBondContact O-N 3.49Å; Y114-A116 VanDerWaalsContact C-N 3.3Å; Y114-A116 PolarHBondContact O-N 2.99Å; Y114-I117 PolarHBondContact O-N 3.04Å; Y114-V118 HydrophobicContact CD1-CB 4.48Å; Y114-V118 HydrophobicContact CD1-CG2 4.43Å; Y114-V118 HydrophobicContact CD2-CG2 3.85Å; Y114-V118 HydrophobicContact CE1-CB 4.15Å; Y114-V118 HydrophobicContact CE1-CG1 4.28Å; Y114-V118 HydrophobicContact CE1-CG2 4.23Å; Y114-V118 HydrophobicContact CE2-CB 4.39Å; Y114-V118 HydrophobicContact CE2-CG2 3.61Å; Y114-V118 HydrophobicContact CG-CG2 4.28Å; Y114-V118 WeakPolarHBondContact O-CB 3.48Å; Y114-V118 WeakPolarHBondContact O-CG2 3.34Å; Y114-V118 PolarHBondContact O-N 3.5Å; Y114-W136 WeakPolarHBondContact OH-CZ3 3.38Å; Y114-I143 HydrophobicContact CD1-CD1 3.12Å; Y114-I143 HydrophobicContact CE1-CD1 3.31Å; Y114-I143 HydrophobicContact CG-CD1 3.94Å
115	N	93.7	Very high	93.3	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.032	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-38.3	178.6	-79.6	-34.9	0	0	0	112	T111 V112 I117 L119 I143 Y147 L213	T111-N115 PolarHBondContact O-N 3.44Å; T111-N115 PolarHBondContact O-ND2 2.91Å; V112-N115 PolarHBondContact O-N 2.85Å; N115-I117 VanDerWaalsContact C-N 3.26Å; N115-I117 PolarHBondContact O-N 3.31Å; N115-L119 HydrophobicContact CB-CD1 3.98Å; N115-L119 HydrophobicContact CB-CG 4.39Å; N115-L119 VanDerWaalsContact O-CB 3.23Å; N115-L119 WeakPolarHBondContact O-CB 3.37Å; N115-L119 VanDerWaalsContact O-CG 3.22Å; N115-L119 WeakPolarHBondContact O-CG 3.36Å; N115-L119 PolarHBondContact O-N 3.5Å; N115-L119 VanDerWaalsContact O-N 3.1Å; N115-I143 WeakPolarHBondContact ND2-CG2 3.44Å; N115-Y147 PolarHBondContact ND2-OH 3.13Å; N115-Y147 VanDerWaalsContact ND2-OH 3.17Å; N115-L213 HydrophobicContact CB-CD2 4.06Å
116	A	93.6	Very high	92.8	Very high	14 Å²	14	28.4 Å²	28.4	12%	0.116	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-27.3	178.2	0	0	0	0	0	113.3	V112 L113 Y114 P120 L213 W251	V112-A116 WeakPolarHBondContact O-CB 3.37Å; V112-A116 PolarHBondContact O-N 2.87Å; L113-A116 PolarHBondContact O-N 2.84Å; Y114-A116 VanDerWaalsContact C-N 3.3Å; Y114-A116 PolarHBondContact O-N 2.99Å; A116-P120 WeakPolarHBondContact O-CD 3.36Å; A116-P120 WeakPolarHBondContact O-CG 3.45Å; A116-L213 HydrophobicContact CB-CD2 4.11Å; A116-W251 PolarHBondContact O-NE1 2.85Å
117	I	93.8	Very high	92.3	Very high	66 Å²	66	30.9 Å²	30.9	34%	0.338	16%	0.164	S	C	.	.	H	α-helix	trans	-93.5	-47.4	177.9	-62.8	168.2	0	0	0	110.7	L113 Y114 N115 M121 H250	L113-I117 HydrophobicContact CD1-CD1 4.05Å; L113-I117 HydrophobicContact CD1-CG1 4.47Å; L113-I117 HydrophobicContact CG-CD1 4.14Å; L113-I117 WeakPolarHBondContact O-CG1 3.35Å; L113-I117 PolarHBondContact O-N 3Å; L113-I117 VanDerWaalsContact O-N 3.15Å; Y114-I117 PolarHBondContact O-N 3.04Å; N115-I117 VanDerWaalsContact C-N 3.26Å; N115-I117 PolarHBondContact O-N 3.31Å; I117-M121 WeakPolarHBondContact O-CB 3.23Å; I117-H250 PolarHBondContact O-NE2 2.85Å
118	V	92.7	Very high	91.7	Very high	14 Å²	14	28.3 Å²	28.3	9%	0.085	15%	0.15	C	C	.	.	H	α-helix	trans	-76.9	-33.7	-169.9	173.9	0	0	0	0	112.6	Y114 R122 W136	Y114-V118 HydrophobicContact CD1-CB 4.48Å; Y114-V118 HydrophobicContact CD1-CG2 4.43Å; Y114-V118 HydrophobicContact CD2-CG2 3.85Å; Y114-V118 HydrophobicContact CE1-CB 4.15Å; Y114-V118 HydrophobicContact CE1-CG1 4.28Å; Y114-V118 HydrophobicContact CE1-CG2 4.23Å; Y114-V118 HydrophobicContact CE2-CB 4.39Å; Y114-V118 HydrophobicContact CE2-CG2 3.61Å; Y114-V118 HydrophobicContact CG-CG2 4.28Å; Y114-V118 WeakPolarHBondContact O-CB 3.48Å; Y114-V118 WeakPolarHBondContact O-CG2 3.34Å; Y114-V118 PolarHBondContact O-N 3.5Å; V118-R122 VanDerWaalsContact CG1-CD 3.45Å; V118-R122 HydrophobicContact CG1-CG 4.09Å; V118-R122 WeakPolarHBondContact O-CB 3.38Å; V118-R122 VanDerWaalsContact O-CG 3.3Å; V118-R122 WeakPolarHBondContact O-CG 3.5Å; V118-R122 PolarHBondContact O-N 3.36Å; V118-W136 HydrophobicContact CG1-CE3 4.3Å; V118-W136 HydrophobicContact CG1-CZ3 4.12Å
119	L	91.6	Very high	91.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-50.5	-178	-64.6	174.9	0	0	0	113.1	N115 M121 R122 S123 R209 F210 L213	N115-L119 HydrophobicContact CB-CD1 3.98Å; N115-L119 HydrophobicContact CB-CG 4.39Å; N115-L119 VanDerWaalsContact O-CB 3.23Å; N115-L119 WeakPolarHBondContact O-CB 3.37Å; N115-L119 VanDerWaalsContact O-CG 3.22Å; N115-L119 WeakPolarHBondContact O-CG 3.36Å; N115-L119 PolarHBondContact O-N 3.5Å; N115-L119 VanDerWaalsContact O-N 3.1Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 3.14Å; L119-R122 PolarHBondContact O-N 2.98Å; L119-S123 WeakPolarHBondContact O-CB 3.17Å; L119-S123 PolarHBondContact O-N 2.76Å; L119-R209 HydrophobicContact CD1-CB 4.33Å; L119-R209 WeakPolarHBondContact CD1-O 3.44Å; L119-R209 HydrophobicContact CD2-CB 3.63Å; L119-F210 HydrophobicContact CB-CD2 4.44Å; L119-F210 HydrophobicContact CB-CE2 4.13Å; L119-L213 HydrophobicContact CD1-CD2 4.26Å; L119-L213 HydrophobicContact CD1-CG 4.22Å
120	P	92.9	Very high	90.5	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-41.2	175.8	-22.2	34.4	0	0	0	112.2	A116 R122 S123 A124 F210 W251 C254	A116-P120 WeakPolarHBondContact O-CD 3.36Å; A116-P120 WeakPolarHBondContact O-CG 3.45Å; P120-R122 PolarHBondContact O-N 2.99Å; P120-S123 PolarHBondContact O-N 3.4Å; P120-S123 VanDerWaalsContact O-N 3.17Å; P120-A124 PolarHBondContact O-N 2.93Å; P120-F210 HydrophobicContact CG-CZ 4.38Å; P120-W251 HydrophobicContact CG-CD2 4.08Å; P120-W251 HydrophobicContact CG-CG 4.33Å; P120-W251 HydrophobicContact CG-CZ2 3.96Å; P120-C254 HydrophobicContact CB-CB 3.94Å
121	M	91.8	Very high	89.9	Confident	32 Å²	32	33.9 Å²	33.9	16%	0.158	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-48.1	177.7	-171.5	177.6	-179.9	0	0	111.9	I117 L119 S123 A124 F125 F128	I117-M121 WeakPolarHBondContact O-CB 3.23Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 3.14Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 2.97Å; M121-A124 PolarHBondContact O-N 3.35Å; M121-F125 HydrophobicContact CG-CD2 4.04Å; M121-F125 WeakPolarHBondContact O-CB 3.36Å; M121-F125 WeakPolarHBondContact O-CD2 3.26Å; M121-F125 PolarHBondContact O-N 3.5Å; M121-F128 HydrophobicContact CE-CD1 4.21Å; M121-F128 HydrophobicContact CE-CD2 3.71Å; M121-F128 HydrophobicContact CE-CE1 4.24Å; M121-F128 HydrophobicContact CE-CE2 3.71Å; M121-F128 HydrophobicContact CE-CG 3.94Å; M121-F128 HydrophobicContact CE-CZ 3.97Å; M121-F128 HydrophobicContact CG-CD1 4.05Å; M121-F128 HydrophobicContact CG-CE1 4.22Å; M121-F128 HydrophobicContact CG-CG 4.49Å; M121-F128 HydrophobicContact SD-CD1 4.16Å; M121-F128 HydrophobicContact SD-CE1 3.85Å; M121-F128 HydrophobicContact SD-CE2 4.26Å; M121-F128 HydrophobicContact SD-CG 4.49Å; M121-F128 HydrophobicContact SD-CZ 3.87Å
122	R	90.1	Very high	89.4	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-30.2	177.1	-74.8	170.4	62	174.7	-1.8	113.2	V118 L119 P120 F128 D140	V118-R122 VanDerWaalsContact CG1-CD 3.45Å; V118-R122 HydrophobicContact CG1-CG 4.09Å; V118-R122 WeakPolarHBondContact O-CB 3.38Å; V118-R122 VanDerWaalsContact O-CG 3.3Å; V118-R122 WeakPolarHBondContact O-CG 3.5Å; V118-R122 PolarHBondContact O-N 3.36Å; L119-R122 PolarHBondContact O-N 2.98Å; P120-R122 PolarHBondContact O-N 2.99Å; R122-F128 HydrophobicContact CG-CD1 3.65Å; R122-F128 HydrophobicContact CG-CE1 3.89Å; R122-D140 IonicContact CZ-OD2 2.78Å; R122-D140 VanDerWaalsContact NH1-CG 3.33Å; R122-D140 IonicContact NH1-OD1 3.12Å; R122-D140 PolarHBondContact NH1-OD1 2.83Å; R122-D140 VanDerWaalsContact NH1-OD1 3.17Å; R122-D140 IonicContact NH1-OD2 3.1Å; R122-D140 PolarHBondContact NH1-OD2 3.16Å; R122-D140 IonicContact NH2-OD2 3.89Å; R122-D140 PolarHBondContact NH2-OD2 2.97Å
123	S	88.9	Confident	88.8	Confident	45 Å²	45	37 Å²	37	32%	0.315	20%	0.197	S	C	.	.	H	α-helix	trans	-72.4	-37	177.9	-167.1	0	0	0	0	112.4	L119 P120 M121	L119-S123 WeakPolarHBondContact O-CB 3.17Å; L119-S123 PolarHBondContact O-N 2.76Å; P120-S123 PolarHBondContact O-N 3.4Å; P120-S123 VanDerWaalsContact O-N 3.17Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 2.97Å
124	A	90.7	Very high	88.4	Confident	5 Å²	5	39.4 Å²	39.4	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-86.7	-48.6	-178.4	0	0	0	0	0	112.3	P120 M121 C254 F257	P120-A124 PolarHBondContact O-N 2.93Å; M121-A124 PolarHBondContact O-N 3.35Å; A124-C254 HydrophobicContact CB-CB 3.9Å; A124-C254 VanDerWaalsContact CB-O 3.25Å; A124-C254 WeakPolarHBondContact CB-O 3.36Å; A124-F257 HydrophobicContact CB-CD1 4.23Å; A124-F257 WeakPolarHBondContact O-CD1 3.4Å; A124-F257 WeakPolarHBondContact O-CE1 3.31Å
125	F	90.7	Very high	88.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.			trans	-99.8	87.1	-173.3	-56.8	-83.4	0	0	0	111.1	M121 Q127 F128 F257 L294 Q297 Y298	M121-F125 HydrophobicContact CG-CD2 4.04Å; M121-F125 WeakPolarHBondContact O-CB 3.36Å; M121-F125 WeakPolarHBondContact O-CD2 3.26Å; M121-F125 PolarHBondContact O-N 3.5Å; F125-Q127 VanDerWaalsContact C-N 3.28Å; F125-Q127 PolarHBondContact O-N 3.42Å; F125-F128 HydrophobicContact CB-CB 4.24Å; F125-F128 VanDerWaalsContact O-CB 3.24Å; F125-F128 WeakPolarHBondContact O-CB 3.43Å; F125-F128 PolarHBondContact O-N 2.87Å; F125-F257 AromaticContact CD1-CD1 3.55Å; F125-F257 HydrophobicContact CD1-CD1 3.55Å; F125-F257 HydrophobicContact CD1-CD2 4.36Å; F125-F257 AromaticContact CD1-CE1 3.55Å; F125-F257 HydrophobicContact CD1-CE1 3.55Å; F125-F257 HydrophobicContact CD1-CE2 4.36Å; F125-F257 AromaticContact CD1-CG 3.98Å; F125-F257 HydrophobicContact CD1-CG 3.98Å; F125-F257 AromaticContact CD1-CZ 3.98Å; F125-F257 HydrophobicContact CD1-CZ 3.98Å; F125-F257 HydrophobicContact CE1-CB 3.95Å; F125-F257 AromaticContact CE1-CD1 3.5Å; F125-F257 HydrophobicContact CE1-CD1 3.5Å; F125-F257 VanDerWaalsContact CE1-CD1 3.5Å; F125-F257 AromaticContact CE1-CD2 3.69Å; F125-F257 HydrophobicContact CE1-CD2 3.69Å; F125-F257 AromaticContact CE1-CE1 3.86Å; F125-F257 HydrophobicContact CE1-CE1 3.86Å; F125-F257 HydrophobicContact CE1-CE2 4.05Å; F125-F257 AromaticContact CE1-CG 3.4Å; F125-F257 HydrophobicContact CE1-CG 3.4Å; F125-F257 VanDerWaalsContact CE1-CG 3.4Å; F125-F257 HydrophobicContact CE1-CZ 4.12Å; F125-F257 HydrophobicContact CG-CD1 4.17Å; F125-F257 HydrophobicContact CG-CE1 4.3Å; F125-F257 HydrophobicContact CZ-CB 3.83Å; F125-F257 HydrophobicContact CZ-CD1 4.08Å; F125-F257 HydrophobicContact CZ-CD2 4.38Å; F125-F257 AromaticContact CZ-CG 3.83Å; F125-F257 HydrophobicContact CZ-CG 3.83Å; F125-L294 HydrophobicContact CB-CD1 3.63Å; F125-L294 HydrophobicContact CD1-CD1 4.01Å; F125-L294 HydrophobicContact CG-CD1 4.02Å; F125-Q297 HydrophobicContact CD1-CB 4.05Å; F125-Q297 HydrophobicContact CE1-CB 3.79Å; F125-Y298 AromaticContact CE2-CD2 3.82Å; F125-Y298 HydrophobicContact CE2-CD2 3.82Å; F125-Y298 AromaticContact CZ-CD2 3.95Å; F125-Y298 HydrophobicContact CZ-CD2 3.95Å
126	T	83.4	Confident	87.9	Confident	18 Å²	18	41.7 Å²	41.7	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-30.2	-176	53.8	0	0	0	0	114	F128 H129 E130 Y204 R261	T126-F128 PolarHBondContact O-N 3.17Å; T126-F128 VanDerWaalsContact O-N 3.14Å; T126-H129 WeakPolarHBondContact O-CB 3.22Å; T126-H129 PolarHBondContact O-N 2.95Å; T126-E130 WeakPolarHBondContact O-CG 3.17Å; T126-E130 PolarHBondContact O-N 3.17Å; T126-Y204 HydrophobicContact CG2-CD1 4.01Å; T126-Y204 HydrophobicContact CG2-CG 4.37Å; T126-R261 PolarHBondContact OG1-NH1 3.09Å; T126-R261 PolarHBondContact OG1-NH2 3.41Å
127	Q	83.7	Confident	87.4	Confident	62 Å²	62	44.9 Å²	44.9	29%	0.29	24%	0.24	S	C	.	.	H	α-helix	trans	-54.4	-33	172.9	-67.9	-179.7	-6.4	0	0	111.9	F125 E130 L131 D292 L294	F125-Q127 VanDerWaalsContact C-N 3.28Å; F125-Q127 PolarHBondContact O-N 3.42Å; Q127-E130 PolarHBondContact O-N 3.44Å; Q127-L131 PolarHBondContact O-N 2.99Å; Q127-D292 PolarHBondContact NE2-O 3.47Å; Q127-D292 VanDerWaalsContact NE2-O 3.08Å; Q127-D292 PolarHBondContact OE1-O 3.08Å; Q127-L294 HydrophobicContact CB-CD1 4.47Å
128	F	84.3	Confident	87.3	Confident	30 Å²	30	45.7 Å²	45.7	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-36.1	177.6	-175.9	-112.7	0	0	0	112.5	M121 R122 F125 T126 W136 L294	M121-F128 HydrophobicContact CE-CD1 4.21Å; M121-F128 HydrophobicContact CE-CD2 3.71Å; M121-F128 HydrophobicContact CE-CE1 4.24Å; M121-F128 HydrophobicContact CE-CE2 3.71Å; M121-F128 HydrophobicContact CE-CG 3.94Å; M121-F128 HydrophobicContact CE-CZ 3.97Å; M121-F128 HydrophobicContact CG-CD1 4.05Å; M121-F128 HydrophobicContact CG-CE1 4.22Å; M121-F128 HydrophobicContact CG-CG 4.49Å; M121-F128 HydrophobicContact SD-CD1 4.16Å; M121-F128 HydrophobicContact SD-CE1 3.85Å; M121-F128 HydrophobicContact SD-CE2 4.26Å; M121-F128 HydrophobicContact SD-CG 4.49Å; M121-F128 HydrophobicContact SD-CZ 3.87Å; R122-F128 HydrophobicContact CG-CD1 3.65Å; R122-F128 HydrophobicContact CG-CE1 3.89Å; F125-F128 HydrophobicContact CB-CB 4.24Å; F125-F128 VanDerWaalsContact O-CB 3.24Å; F125-F128 WeakPolarHBondContact O-CB 3.43Å; F125-F128 PolarHBondContact O-N 2.87Å; T126-F128 PolarHBondContact O-N 3.17Å; T126-F128 VanDerWaalsContact O-N 3.14Å; F128-W136 HydrophobicContact CD1-CZ2 4.3Å; F128-W136 HydrophobicContact CD2-CZ2 4.47Å; F128-W136 AromaticContact CE1-CH2 3.74Å; F128-W136 HydrophobicContact CE1-CH2 3.74Å; F128-W136 AromaticContact CE1-CZ2 3.52Å; F128-W136 HydrophobicContact CE1-CZ2 3.52Å; F128-W136 HydrophobicContact CE1-CZ3 4.48Å; F128-W136 HydrophobicContact CE2-CH2 4.17Å; F128-W136 AromaticContact CE2-CZ2 3.75Å; F128-W136 HydrophobicContact CE2-CZ2 3.75Å; F128-W136 AromaticContact CZ-CH2 3.33Å; F128-W136 HydrophobicContact CZ-CH2 3.33Å; F128-W136 AromaticContact CZ-CZ2 3.22Å; F128-W136 HydrophobicContact CZ-CZ2 3.22Å; F128-W136 HydrophobicContact CZ-CZ3 4.38Å; F128-W136 PolarHBondContact O-NE1 3.35Å; F128-L294 HydrophobicContact CB-CD1 4.14Å; F128-L294 HydrophobicContact CB-CD2 3.99Å; F128-L294 HydrophobicContact CD2-CD2 3.79Å; F128-L294 HydrophobicContact CG-CD2 4.36Å
129	H	81.9	Confident	87.2	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-69.8	-39	175.2	-178	60.5	0	0	0	111.7	T126 L131 H203	T126-H129 WeakPolarHBondContact O-CB 3.22Å; T126-H129 PolarHBondContact O-N 2.95Å; H129-L131 VanDerWaalsContact C-N 3.31Å; H129-L131 PolarHBondContact O-N 3.28Å; H129-H203 PolarHBondContact NE2-O 3.34Å
130	E	82.1	Confident	87.2	Confident	100 Å²	100	48.4 Å²	48.4	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-26	-177.6	-71.4	166.9	-155.5	0	0	113.6	T126 Q127 S132 Y204	T126-E130 WeakPolarHBondContact O-CG 3.17Å; T126-E130 PolarHBondContact O-N 3.17Å; Q127-E130 PolarHBondContact O-N 3.44Å; E130-S132 VanDerWaalsContact C-N 3.31Å; E130-S132 PolarHBondContact O-N 3.03Å; E130-Y204 HydrophobicContact CG-CE1 3.91Å; E130-Y204 WeakPolarHBondContact OE1-CE1 3.15Å
131	L	83.8	Confident	87.1	Confident	142 Å²	142	53.1 Å²	53.1	74%	0.743	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-37.4	-177.6	-164.8	72.6	0	0	0	113.2	Q127 H129	Q127-L131 PolarHBondContact O-N 2.99Å; H129-L131 VanDerWaalsContact C-N 3.31Å; H129-L131 PolarHBondContact O-N 3.28Å
132	S	84.9	Confident	87.1	Confident	33 Å²	33	55 Å²	55	23%	0.231	29%	0.294	C	S	.	.			trans	-159.4	65	-176.1	55.7	0	0	0	0	114	E130 I134 T135 W136	E130-S132 VanDerWaalsContact C-N 3.31Å; E130-S132 PolarHBondContact O-N 3.03Å; S132-I134 VanDerWaalsContact C-N 3.29Å; S132-I134 PolarHBondContact O-N 3.08Å; S132-T135 PolarHBondContact O-N 2.88Å; S132-W136 PolarHBondContact O-N 3.46Å; S132-W136 PolarHBondContact OG-NE1 2.86Å
133	P	82.2	Confident	87.3	Confident	54 Å²	54	55.5 Å²	55.5	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-58.1	-36.6	-173.8	22.6	-34.2	0	0	0	113.8	M137	P133-M137 WeakPolarHBondContact O-CB 3.23Å; P133-M137 PolarHBondContact O-N 3.36Å
134	I	85.8	Confident	87.5	Confident	124 Å²	124	54.6 Å²	54.6	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-66.7	-45.6	-180	-61.9	168.5	0	0	0	111	S132 W136 M137 V138	S132-I134 VanDerWaalsContact C-N 3.29Å; S132-I134 PolarHBondContact O-N 3.08Å; I134-W136 VanDerWaalsContact C-N 3.33Å; I134-W136 PolarHBondContact O-N 3.47Å; I134-M137 PolarHBondContact O-N 2.81Å; I134-V138 WeakPolarHBondContact O-CG2 3.34Å; I134-V138 PolarHBondContact O-N 2.78Å
135	T	89	Confident	87.6	Confident	80 Å²	80	58.2 Å²	58.2	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-43.6	-179.8	-53	0	0	0	0	110.9	S132 M137 V138 L139	S132-T135 PolarHBondContact O-N 2.88Å; T135-M137 VanDerWaalsContact C-N 3.34Å; T135-M137 PolarHBondContact O-N 2.8Å; T135-V138 PolarHBondContact O-N 3.03Å; T135-L139 HydrophobicContact CG2-CD1 4.34Å; T135-L139 WeakPolarHBondContact O-CG 3.48Å; T135-L139 PolarHBondContact O-N 2.99Å
136	W	87.2	Confident	87.8	Confident	31 Å²	31	59.7 Å²	59.7	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-44.4	175.2	-67.5	127.6	0	0	0	112.3	Y114 V118 F128 S132 I134 V138 L139 D140	Y114-W136 WeakPolarHBondContact OH-CZ3 3.38Å; V118-W136 HydrophobicContact CG1-CE3 4.3Å; V118-W136 HydrophobicContact CG1-CZ3 4.12Å; F128-W136 HydrophobicContact CD1-CZ2 4.3Å; F128-W136 HydrophobicContact CD2-CZ2 4.47Å; F128-W136 AromaticContact CE1-CH2 3.74Å; F128-W136 HydrophobicContact CE1-CH2 3.74Å; F128-W136 AromaticContact CE1-CZ2 3.52Å; F128-W136 HydrophobicContact CE1-CZ2 3.52Å; F128-W136 HydrophobicContact CE1-CZ3 4.48Å; F128-W136 HydrophobicContact CE2-CH2 4.17Å; F128-W136 AromaticContact CE2-CZ2 3.75Å; F128-W136 HydrophobicContact CE2-CZ2 3.75Å; F128-W136 AromaticContact CZ-CH2 3.33Å; F128-W136 HydrophobicContact CZ-CH2 3.33Å; F128-W136 AromaticContact CZ-CZ2 3.22Å; F128-W136 HydrophobicContact CZ-CZ2 3.22Å; F128-W136 HydrophobicContact CZ-CZ3 4.38Å; F128-W136 PolarHBondContact O-NE1 3.35Å; S132-W136 PolarHBondContact O-N 3.46Å; S132-W136 PolarHBondContact OG-NE1 2.86Å; I134-W136 VanDerWaalsContact C-N 3.33Å; I134-W136 PolarHBondContact O-N 3.47Å; W136-V138 PolarHBondContact O-N 3.06Å; W136-L139 HydrophobicContact CE3-CD1 4.13Å; W136-L139 HydrophobicContact CZ3-CD1 4.18Å; W136-L139 PolarHBondContact O-N 3.14Å; W136-D140 WeakPolarHBondContact O-CB 3.45Å; W136-D140 PolarHBondContact O-N 3.47Å
137	M	84.6	Confident	88.4	Confident	81 Å²	81	59 Å²	59	40%	0.399	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-41.6	178.2	-172.4	172.6	72.6	0	0	112.3	P133 I134 T135 D140 Y141	P133-M137 WeakPolarHBondContact O-CB 3.23Å; P133-M137 PolarHBondContact O-N 3.36Å; I134-M137 PolarHBondContact O-N 2.81Å; T135-M137 VanDerWaalsContact C-N 3.34Å; T135-M137 PolarHBondContact O-N 2.8Å; M137-D140 PolarHBondContact O-N 3.25Å; M137-Y141 HydrophobicContact CG-CD2 3.69Å; M137-Y141 HydrophobicContact CG-CE2 3.32Å; M137-Y141 WeakPolarHBondContact O-CD2 3.44Å; M137-Y141 PolarHBondContact O-N 3.17Å; M137-Y141 VanDerWaalsContact O-N 3.11Å; M137-Y141 HydrophobicContact SD-CE2 3.96Å
138	V	90.8	Very high	88.8	Confident	82 Å²	82	62.1 Å²	62.1	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-46.9	175.4	172.3	0	0	0	0	111	I134 T135 W136 D140 Y141 C142	I134-V138 WeakPolarHBondContact O-CG2 3.34Å; I134-V138 PolarHBondContact O-N 2.78Å; T135-V138 PolarHBondContact O-N 3.03Å; W136-V138 PolarHBondContact O-N 3.06Å; V138-D140 PolarHBondContact O-N 3.45Å; V138-Y141 PolarHBondContact O-N 2.86Å; V138-C142 PolarHBondContact O-N 2.87Å; V138-C142 PolarHBondContact O-SG 3.32Å
139	L	91.4	Very high	89.2	Confident	70 Å²	70	65.5 Å²	65.5	37%	0.366	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-43.5	178.9	-72.2	170.9	0	0	0	112.2	T135 W136 Y141 C142 I143	T135-L139 HydrophobicContact CG2-CD1 4.34Å; T135-L139 WeakPolarHBondContact O-CG 3.48Å; T135-L139 PolarHBondContact O-N 2.99Å; W136-L139 HydrophobicContact CE3-CD1 4.13Å; W136-L139 HydrophobicContact CZ3-CD1 4.18Å; W136-L139 PolarHBondContact O-N 3.14Å; L139-Y141 PolarHBondContact O-N 2.93Å; L139-C142 WeakPolarHBondContact O-CB 3.42Å; L139-C142 PolarHBondContact O-N 2.89Å; L139-I143 WeakPolarHBondContact O-CG1 3.32Å; L139-I143 PolarHBondContact O-N 2.93Å
140	D	90.5	Very high	89.8	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-43.9	-180	-63.8	-17	0	0	0	111.2	R122 W136 M137 V138 I143 D144 R209	R122-D140 IonicContact CZ-OD2 2.78Å; R122-D140 VanDerWaalsContact NH1-CG 3.33Å; R122-D140 IonicContact NH1-OD1 3.12Å; R122-D140 PolarHBondContact NH1-OD1 2.83Å; R122-D140 VanDerWaalsContact NH1-OD1 3.17Å; R122-D140 IonicContact NH1-OD2 3.1Å; R122-D140 PolarHBondContact NH1-OD2 3.16Å; R122-D140 IonicContact NH2-OD2 3.89Å; R122-D140 PolarHBondContact NH2-OD2 2.97Å; W136-D140 WeakPolarHBondContact O-CB 3.45Å; W136-D140 PolarHBondContact O-N 3.47Å; M137-D140 PolarHBondContact O-N 3.25Å; V138-D140 PolarHBondContact O-N 3.45Å; D140-I143 PolarHBondContact O-N 3.18Å; D140-D144 PolarHBondContact O-N 3.24Å; D140-R209 IonicContact OD2-CZ 3.93Å; D140-R209 IonicContact OD2-NE 3.38Å; D140-R209 IonicContact OD2-NH1 3.77Å; D140-R209 PolarHBondContact OD2-NH1 2.86Å
141	Y	90.5	Very high	90.3	Very high	106 Å²	106	61 Å²	61	42%	0.416	33%	0.327	S	S	.	.	H	α-helix	trans	-69.6	-33	176.5	-72.7	-55.9	0	0	0	113.3	M137 V138 L139 I143 D144 C145	M137-Y141 HydrophobicContact CG-CD2 3.69Å; M137-Y141 HydrophobicContact CG-CE2 3.32Å; M137-Y141 WeakPolarHBondContact O-CD2 3.44Å; M137-Y141 PolarHBondContact O-N 3.17Å; M137-Y141 VanDerWaalsContact O-N 3.11Å; M137-Y141 HydrophobicContact SD-CE2 3.96Å; V138-Y141 PolarHBondContact O-N 2.86Å; L139-Y141 PolarHBondContact O-N 2.93Å; Y141-I143 VanDerWaalsContact C-N 3.27Å; Y141-I143 PolarHBondContact O-N 2.83Å; Y141-D144 PolarHBondContact O-N 3.42Å; Y141-C145 PolarHBondContact O-N 2.86Å; Y141-C145 PolarHBondContact O-SG 3.36Å
142	C	93.4	Very high	90.7	Very high	72 Å²	72	58.6 Å²	58.6	49%	0.486	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-38.9	171	-73	0	0	0	0	111.6	V138 L139 C145 V146	V138-C142 PolarHBondContact O-N 2.87Å; V138-C142 PolarHBondContact O-SG 3.32Å; L139-C142 WeakPolarHBondContact O-CB 3.42Å; L139-C142 PolarHBondContact O-N 2.89Å; C142-C145 WeakPolarHBondContact O-CB 3.35Å; C142-C145 PolarHBondContact O-N 2.81Å; C142-V146 PolarHBondContact O-N 3.18Å
143	I	93.5	Very high	91	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-71.5	-41.2	177.3	-67.9	168.3	0	0	0	111.6	T111 Y114 N115 L139 D140 Y141 C145 V146 Y147	T111-I143 HydrophobicContact CG2-CG1 4.09Å; T111-I143 HydrophobicContact CG2-CG2 4.36Å; Y114-I143 HydrophobicContact CD1-CD1 3.12Å; Y114-I143 HydrophobicContact CE1-CD1 3.31Å; Y114-I143 HydrophobicContact CG-CD1 3.94Å; N115-I143 WeakPolarHBondContact ND2-CG2 3.44Å; L139-I143 WeakPolarHBondContact O-CG1 3.32Å; L139-I143 PolarHBondContact O-N 2.93Å; D140-I143 PolarHBondContact O-N 3.18Å; Y141-I143 VanDerWaalsContact C-N 3.27Å; Y141-I143 PolarHBondContact O-N 2.83Å; I143-C145 PolarHBondContact O-N 2.81Å; I143-V146 WeakPolarHBondContact O-CA 3.42Å; I143-V146 WeakPolarHBondContact O-CB 3.45Å; I143-V146 PolarHBondContact O-N 3.41Å; I143-Y147 HydrophobicContact CG2-CE1 4.24Å; I143-Y147 HydrophobicContact CG2-CE2 4.32Å; I143-Y147 PolarHBondContact O-N 3.48Å
144	D	92.9	Very high	91.4	Very high	25 Å²	25	55.2 Å²	55.2	13%	0.134	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-34.7	174.1	-79	-14.5	0	0	0	111.1	D140 Y141 Y147 F148 R212	D140-D144 PolarHBondContact O-N 3.24Å; Y141-D144 PolarHBondContact O-N 3.42Å; D144-Y147 PolarHBondContact O-N 3.28Å; D144-F148 PolarHBondContact O-N 3.42Å; D144-R212 IonicContact OD1-NE 2.74Å; D144-R212 PolarHBondContact OD1-NE 3.41Å; D144-R212 IonicContact OD1-NH2 2.82Å; D144-R212 IonicContact OD2-CZ 3.07Å; D144-R212 IonicContact OD2-NE 3.22Å; D144-R212 IonicContact OD2-NH2 3.91Å; D144-R212 PolarHBondContact OD2-NH2 3.46Å
145	C	93.7	Very high	91.6	Very high	81 Å²	81	51.9 Å²	51.9	55%	0.547	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-40.1	170	-70.5	0	0	0	0	112.7	Y141 C142 I143 Y147 F148 M149	Y141-C145 PolarHBondContact O-N 2.86Å; Y141-C145 PolarHBondContact O-SG 3.36Å; C142-C145 WeakPolarHBondContact O-CB 3.35Å; C142-C145 PolarHBondContact O-N 2.81Å; I143-C145 PolarHBondContact O-N 2.81Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; C145-F148 PolarHBondContact O-N 3.45Å; C145-M149 WeakPolarHBondContact O-CG 3.46Å; C145-M149 PolarHBondContact O-N 3.37Å
146	V	95.3	Very high	91.6	Very high	32 Å²	32	50.3 Å²	50.3	19%	0.194	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-41.5	174.9	174.1	0	0	0	0	110.6	W104 I107 V108 T111 C142 I143 M149 D150	W104-V146 HydrophobicContact CH2-CG1 4.46Å; I107-V146 HydrophobicContact CG2-CG1 4.35Å; V108-V146 HydrophobicContact CG2-CG1 4.15Å; T111-V146 HydrophobicContact CG2-CB 4.49Å; T111-V146 HydrophobicContact CG2-CG1 4.26Å; T111-V146 HydrophobicContact CG2-CG2 4.49Å; C142-V146 PolarHBondContact O-N 3.18Å; I143-V146 WeakPolarHBondContact O-CA 3.42Å; I143-V146 WeakPolarHBondContact O-CB 3.45Å; I143-V146 PolarHBondContact O-N 3.41Å; V146-M149 PolarHBondContact O-N 3.05Å; V146-D150 PolarHBondContact O-N 3.31Å
147	Y	94.3	Very high	91.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-37.9	176.6	-71.4	-5.8	0	0	0	112.9	V108 T111 V112 N115 I143 D144 C145 M149 D150 I151 T188 R212 K215	V108-Y147 HydrophobicContact CG1-CE1 4.33Å; T111-Y147 WeakPolarHBondContact OG1-CE1 3.29Å; V112-Y147 HydrophobicContact CG2-CE1 4.18Å; V112-Y147 WeakPolarHBondContact CG2-OH 3.46Å; N115-Y147 PolarHBondContact ND2-OH 3.13Å; N115-Y147 VanDerWaalsContact ND2-OH 3.17Å; I143-Y147 HydrophobicContact CG2-CE1 4.24Å; I143-Y147 HydrophobicContact CG2-CE2 4.32Å; I143-Y147 PolarHBondContact O-N 3.48Å; D144-Y147 PolarHBondContact O-N 3.28Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; Y147-M149 VanDerWaalsContact C-N 3.34Å; Y147-D150 PolarHBondContact O-N 3.46Å; Y147-I151 WeakPolarHBondContact O-CG1 3.46Å; Y147-I151 PolarHBondContact O-N 3.22Å; Y147-I151 VanDerWaalsContact O-N 3.11Å; Y147-T188 HydrophobicContact CD2-CG2 3.59Å; Y147-T188 HydrophobicContact CE2-CG2 3.65Å; Y147-T188 HydrophobicContact CG-CG2 4.49Å; Y147-R212 HydrophobicContact CD2-CG 4.5Å; Y147-R212 HydrophobicContact CE2-CB 4.05Å; Y147-R212 HydrophobicContact CE2-CG 4.05Å; Y147-R212 PolarHBondContact OH-O 3.04Å; Y147-K215 HydrophobicContact CD1-CG 4.32Å; Y147-K215 HydrophobicContact CE1-CB 4.41Å; Y147-K215 HydrophobicContact CE1-CG 3.98Å; Y147-K215 HydrophobicContact CE2-CB 4.33Å
148	F	93.4	Very high	91.7	Very high	129 Å²	129	46.7 Å²	46.7	57%	0.566	24%	0.241	S	C	*	.	H	α-helix	trans	-60.9	-45	172.1	-174.3	-96	0	0	0	111.6	D144 C145 D150 I151 F152 I189	D144-F148 PolarHBondContact O-N 3.42Å; C145-F148 PolarHBondContact O-N 3.45Å; F148-D150 VanDerWaalsContact C-N 3.28Å; F148-D150 PolarHBondContact O-N 3.26Å; F148-I151 WeakPolarHBondContact O-CB 3.42Å; F148-I151 PolarHBondContact O-N 2.65Å; F148-F152 PolarHBondContact O-N 2.92Å; F148-I189 HydrophobicContact CB-CD1 3.78Å; F148-I189 HydrophobicContact CD2-CD1 3.74Å; F148-I189 HydrophobicContact CG-CD1 4.26Å
149	M	93.1	Very high	91.6	Very high	100 Å²	100	45.9 Å²	45.9	49%	0.493	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-34.5	175.2	-69.6	-64.8	179.5	0	0	111.9	W104 C145 V146 Y147 I151 F152 V153	W104-M149 HydrophobicContact CH2-CB 3.57Å; W104-M149 HydrophobicContact CZ2-CB 3.72Å; C145-M149 WeakPolarHBondContact O-CG 3.46Å; C145-M149 PolarHBondContact O-N 3.37Å; V146-M149 PolarHBondContact O-N 3.05Å; Y147-M149 VanDerWaalsContact C-N 3.34Å; M149-I151 VanDerWaalsContact C-N 3.33Å; M149-I151 PolarHBondContact O-N 3.18Å; M149-F152 WeakPolarHBondContact O-CB 3.46Å; M149-F152 PolarHBondContact O-N 3.17Å; M149-F152 VanDerWaalsContact O-N 3.16Å; M149-V153 WeakPolarHBondContact O-CG2 3.18Å; M149-V153 PolarHBondContact O-N 3.49Å
150	D	94.2	Very high	91.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-36	176.5	-170.8	64.1	0	0	0	112.3	W104 V108 V146 Y147 F148 F152 V153 G154 K215 R218	W104-D150 HydrophobicContact CZ2-CB 4.28Å; W104-D150 PolarHBondContact NE1-OD1 3.3Å; V108-D150 HydrophobicContact CG2-CB 4.13Å; V146-D150 PolarHBondContact O-N 3.31Å; Y147-D150 PolarHBondContact O-N 3.46Å; F148-D150 VanDerWaalsContact C-N 3.28Å; F148-D150 PolarHBondContact O-N 3.26Å; D150-F152 VanDerWaalsContact C-N 3.32Å; D150-V153 PolarHBondContact O-N 2.94Å; D150-G154 PolarHBondContact O-N 3.35Å; D150-K215 WeakPolarHBondContact OD2-CE 3.37Å; D150-K215 IonicContact OD2-NZ 2.73Å; D150-K215 PolarHBondContact OD2-NZ 2.82Å; D150-R218 IonicContact OD1-NE 3.69Å; D150-R218 IonicContact OD1-NH2 2.9Å; D150-R218 IonicContact OD2-CZ 2.76Å; D150-R218 IonicContact OD2-NE 3.13Å; D150-R218 PolarHBondContact OD2-NE 2.83Å; D150-R218 VanDerWaalsContact OD2-NE 3.14Å; D150-R218 IonicContact OD2-NH2 3.56Å; D150-R218 PolarHBondContact OD2-NH2 3.41Å
151	I	92.6	Very high	91.1	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.092	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-42.8	172.3	-65.5	172.5	0	0	0	110.1	Y147 F148 M149 V153 G154 F155 Y176 D185 I189	Y147-I151 WeakPolarHBondContact O-CG1 3.46Å; Y147-I151 PolarHBondContact O-N 3.22Å; Y147-I151 VanDerWaalsContact O-N 3.11Å; F148-I151 WeakPolarHBondContact O-CB 3.42Å; F148-I151 PolarHBondContact O-N 2.65Å; M149-I151 VanDerWaalsContact C-N 3.33Å; M149-I151 PolarHBondContact O-N 3.18Å; I151-V153 VanDerWaalsContact C-N 3.35Å; I151-V153 PolarHBondContact O-N 3.25Å; I151-G154 PolarHBondContact O-N 3.48Å; I151-G154 VanDerWaalsContact O-N 3.16Å; I151-F155 HydrophobicContact CG2-CD2 3.98Å; I151-F155 HydrophobicContact CG2-CE2 3.67Å; I151-F155 VanDerWaalsContact O-CD2 3.23Å; I151-F155 WeakPolarHBondContact O-CD2 3.49Å; I151-F155 PolarHBondContact O-N 2.89Å; I151-Y176 HydrophobicContact CG2-CE1 4.49Å; I151-D185 HydrophobicContact CD1-CB 4.14Å; I151-D185 HydrophobicContact CG1-CB 3.94Å; I151-I189 HydrophobicContact CD1-CB 4.41Å; I151-I189 HydrophobicContact CD1-CD1 3.96Å; I151-I189 HydrophobicContact CD1-CG2 4.3Å
152	F	91.7	Very high	90.9	Very high	91 Å²	91	56.4 Å²	56.4	40%	0.399	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.5	179.8	-97.7	0	0	0	112	F148 M149 D150 G154 F155 R156	F148-F152 PolarHBondContact O-N 2.92Å; M149-F152 WeakPolarHBondContact O-CB 3.46Å; M149-F152 PolarHBondContact O-N 3.17Å; M149-F152 VanDerWaalsContact O-N 3.16Å; D150-F152 VanDerWaalsContact C-N 3.32Å; F152-G154 VanDerWaalsContact C-N 3.33Å; F152-F155 PolarHBondContact O-N 3.16Å; F152-R156 HydrophobicContact CE1-CG 4.43Å; F152-R156 HydrophobicContact CZ-CG 4.41Å; F152-R156 PolarHBondContact O-N 3.49Å
153	V	91.2	Very high	90.3	Very high	13 Å²	13	55.7 Å²	55.7	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-44.3	172.1	168.8	0	0	0	0	110.3	I94 Y101 W104 M149 D150 I151 F155 R156 T157	I94-V153 HydrophobicContact CD1-CB 4.13Å; I94-V153 HydrophobicContact CD1-CG1 3.76Å; I94-V153 HydrophobicContact CD1-CG2 3.85Å; Y101-V153 HydrophobicContact CD2-CG1 4Å; Y101-V153 HydrophobicContact CE2-CG1 3.87Å; W104-V153 HydrophobicContact CD2-CG2 4.34Å; W104-V153 HydrophobicContact CZ2-CG2 4.26Å; M149-V153 WeakPolarHBondContact O-CG2 3.18Å; M149-V153 PolarHBondContact O-N 3.49Å; D150-V153 PolarHBondContact O-N 2.94Å; I151-V153 VanDerWaalsContact C-N 3.35Å; I151-V153 PolarHBondContact O-N 3.25Å; V153-F155 VanDerWaalsContact C-N 3.32Å; V153-F155 PolarHBondContact O-N 3.12Å; V153-R156 CarbonylContact O-C 3.59Å; V153-R156 WeakPolarHBondContact O-CA 3.46Å; V153-R156 PolarHBondContact O-N 3.05Å; V153-T157 PolarHBondContact O-N 2.75Å; V153-T157 PolarHBondContact O-OG1 3.15Å
154	G	90.1	Very high	89.9	Confident	4 Å²	4	61 Å²	61	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-57	-38.5	177	0	0	0	0	0	114.2	D150 I151 F152 R156	D150-G154 PolarHBondContact O-N 3.35Å; I151-G154 PolarHBondContact O-N 3.48Å; I151-G154 VanDerWaalsContact O-N 3.16Å; F152-G154 VanDerWaalsContact C-N 3.33Å; G154-R156 PolarHBondContact O-N 2.8Å
155	F	90.9	Very high	89.7	Confident	53 Å²	53	61.8 Å²	61.8	23%	0.232	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-19.8	173	-80.6	-70.2	0	0	0	114	I151 F152 V153 K173 Y176 L177 F182	I151-F155 HydrophobicContact CG2-CD2 3.98Å; I151-F155 HydrophobicContact CG2-CE2 3.67Å; I151-F155 VanDerWaalsContact O-CD2 3.23Å; I151-F155 WeakPolarHBondContact O-CD2 3.49Å; I151-F155 PolarHBondContact O-N 2.89Å; F152-F155 PolarHBondContact O-N 3.16Å; V153-F155 VanDerWaalsContact C-N 3.32Å; V153-F155 PolarHBondContact O-N 3.12Å; F155-K173 HydrophobicContact CD1-CB 4.3Å; F155-K173 HydrophobicContact CD1-CG 3.94Å; F155-K173 HydrophobicContact CE1-CG 3.92Å; F155-Y176 AromaticContact CD1-CD1 3.69Å; F155-Y176 HydrophobicContact CD1-CD1 3.69Å; F155-Y176 HydrophobicContact CD1-CE1 4.44Å; F155-Y176 HydrophobicContact CD2-CD1 4.15Å; F155-Y176 HydrophobicContact CD2-CE1 4.1Å; F155-Y176 AromaticContact CE1-CD1 3.68Å; F155-Y176 HydrophobicContact CE1-CD1 3.68Å; F155-Y176 HydrophobicContact CE1-CE1 4.35Å; F155-Y176 HydrophobicContact CE2-CD1 4.15Å; F155-Y176 HydrophobicContact CE2-CE1 4Å; F155-Y176 AromaticContact CG-CD1 3.92Å; F155-Y176 HydrophobicContact CG-CD1 3.92Å; F155-Y176 HydrophobicContact CG-CE1 4.31Å; F155-Y176 AromaticContact CZ-CD1 3.91Å; F155-Y176 HydrophobicContact CZ-CD1 3.91Å; F155-Y176 HydrophobicContact CZ-CE1 4.12Å; F155-L177 HydrophobicContact CE1-CD2 4.11Å; F155-L177 HydrophobicContact CE1-CG 4.15Å; F155-L177 HydrophobicContact CZ-CD2 4.21Å; F155-F182 HydrophobicContact CE2-CE2 4.24Å; F155-F182 HydrophobicContact CZ-CD2 4.32Å; F155-F182 AromaticContact CZ-CE2 3.79Å; F155-F182 HydrophobicContact CZ-CE2 3.79Å
156	R	88.9	Confident	89.4	Confident	48 Å²	48	58.8 Å²	58.8	18%	0.181	30%	0.3	C	S	.	.	H	α-helix	trans	-109.3	-4.1	-177.7	-61.9	-55.3	-173.4	127.3	-5.3	113.8	K90 L92 I94 F152 V153 G154 G158	K90-R156 PolarHBondContact O-NH1 3.09Å; L92-R156 WeakPolarHBondContact O-CD 3.44Å; L92-R156 PolarHBondContact O-NH1 3.05Å; I94-R156 HydrophobicContact CD1-CB 4.38Å; I94-R156 HydrophobicContact CG1-CB 4.48Å; I94-R156 PolarHBondContact N-O 3.48Å; F152-R156 HydrophobicContact CE1-CG 4.43Å; F152-R156 HydrophobicContact CZ-CG 4.41Å; F152-R156 PolarHBondContact O-N 3.49Å; V153-R156 CarbonylContact O-C 3.59Å; V153-R156 WeakPolarHBondContact O-CA 3.46Å; V153-R156 PolarHBondContact O-N 3.05Å; G154-R156 PolarHBondContact O-N 2.8Å; R156-G158 PolarHBondContact O-N 3.27Å
157	T	88.7	Confident	88.8	Confident	31 Å²	31	65.7 Å²	65.7	19%	0.19	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-70.1	119.6	177.7	-58.3	0	0	0	0	110.4	I94 Y101 V153 L172	I94-T157 WeakPolarHBondContact O-CA 3.31Å; Y101-T157 HydrophobicContact CE2-CG2 4.33Å; V153-T157 PolarHBondContact O-N 2.75Å; V153-T157 PolarHBondContact O-OG1 3.15Å; T157-L172 WeakPolarHBondContact O-CD2 3.32Å
158	G	85.7	Confident	88.5	Confident	4 Å²	4	69.3 Å²	69.3	4%	0.041	34%	0.342	C	S	.	.			trans	-69.5	145.5	174.8	0	0	0	0	0	112.4	I94 R156	I94-G158 PolarHBondContact O-N 3.35Å; R156-G158 PolarHBondContact O-N 3.27Å
159	Y	87.6	Confident	88.1	Confident	65 Å²	65	66.6 Å²	66.6	26%	0.255	33%	0.329	S	S	.	.			trans	-116.6	160.2	168.4	69.6	-90.5	0	0	0	110.1	E161 V166 L172 A175	Y159-E161 HydrophobicContact CD2-CB 4.45Å; Y159-E161 HydrophobicContact CE2-CB 3.92Å; Y159-E161 HydrophobicContact CE2-CG 4.38Å; Y159-E161 WeakPolarHBondContact CE2-OE2 3.44Å; Y159-E161 PolarHBondContact OH-OE2 3.5Å; Y159-V166 HydrophobicContact CD2-CG2 4.38Å; Y159-V166 HydrophobicContact CE1-CB 4.22Å; Y159-V166 HydrophobicContact CE1-CG1 4.29Å; Y159-V166 HydrophobicContact CE2-CB 4.36Å; Y159-V166 HydrophobicContact CE2-CG2 3.83Å; Y159-V166 PolarHBondContact O-N 3.38Å; Y159-L172 HydrophobicContact CD1-CD2 3.63Å; Y159-L172 HydrophobicContact CE1-CD2 3.82Å; Y159-A175 HydrophobicContact CD1-CB 3.99Å; Y159-A175 HydrophobicContact CE1-CB 3.67Å
160	L	87.5	Confident	87.9	Confident	121 Å²	121	67 Å²	67	63%	0.634	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.1	-179.5	-157.6	74.9	0	0	0	110.1	G163 L164	L160-G163 VanDerWaalsContact CD1-C 3.47Å; L160-G163 WeakPolarHBondContact CD1-O 3.47Å; L160-L164 WeakPolarHBondContact CA-O 3.27Å
161	E	84.6	Confident	87.6	Confident	89 Å²	89	71.6 Å²	71.6	42%	0.416	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.4	173.4	-161.1	170.7	169.3	0	0	107.3	Y159 G163 L164 V166	Y159-E161 HydrophobicContact CD2-CB 4.45Å; Y159-E161 HydrophobicContact CE2-CB 3.92Å; Y159-E161 HydrophobicContact CE2-CG 4.38Å; Y159-E161 WeakPolarHBondContact CE2-OE2 3.44Å; Y159-E161 PolarHBondContact OH-OE2 3.5Å; E161-G163 PolarHBondContact O-N 3.39Å; E161-G163 VanDerWaalsContact O-N 3.13Å; E161-L164 PolarHBondContact N-O 3.06Å; E161-L164 PolarHBondContact O-N 3.19Å; E161-L164 VanDerWaalsContact O-O 3.12Å; E161-V166 HydrophobicContact CB-CG2 3.45Å; E161-V166 VanDerWaalsContact CB-CG2 3.45Å; E161-V166 HydrophobicContact CG-CG2 4.49Å; E161-V166 WeakPolarHBondContact OE2-CG2 3.26Å
162	E	85.7	Confident	87.5	Confident	192 Å²	192	70.9 Å²	70.9	90%	0.897	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	31.3	-175.5	-57.3	-176.1	165.3	0	0	114.8	L164	E162-L164 PolarHBondContact O-N 3.08Å
163	G	81.5	Confident	87.4	Confident	56 Å²	56	71.1 Å²	71.1	58%	0.577	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	2.3	-177.6	0	0	0	0	0	114.5	L160 E161	L160-G163 VanDerWaalsContact CD1-C 3.47Å; L160-G163 WeakPolarHBondContact CD1-O 3.47Å; E161-G163 PolarHBondContact O-N 3.39Å; E161-G163 VanDerWaalsContact O-N 3.13Å
164	L	85.2	Confident	87.4	Confident	127 Å²	127	76.5 Å²	76.5	67%	0.665	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	138.8	176.9	-64.1	174.3	0	0	0	111	L160 E161 E162 V166	L160-L164 WeakPolarHBondContact CA-O 3.27Å; E161-L164 PolarHBondContact N-O 3.06Å; E161-L164 PolarHBondContact O-N 3.19Å; E161-L164 VanDerWaalsContact O-O 3.12Å; E162-L164 PolarHBondContact O-N 3.08Å; L164-V166 PolarHBondContact O-N 2.94Å
165	L	87	Confident	87.4	Confident	41 Å²	41	78 Å²	78	22%	0.215	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	114.9	176.4	-175.4	74.8	0	0	0	109.3	D95 R167	D95-L165 HydrophobicContact CB-CD2 3.81Å; L165-R167 HydrophobicContact CD2-CG 4.44Å; L165-R167 PolarHBondContact O-N 3.17Å
166	V	87.4	Confident	87.4	Confident	19 Å²	19	76.1 Å²	76.1	12%	0.115	38%	0.375	C	S	.	.			trans	-71.3	119.7	175.5	-179.1	0	0	0	0	109	Y159 E161 L164 D168 K171	Y159-V166 HydrophobicContact CD2-CG2 4.38Å; Y159-V166 HydrophobicContact CE1-CB 4.22Å; Y159-V166 HydrophobicContact CE1-CG1 4.29Å; Y159-V166 HydrophobicContact CE2-CB 4.36Å; Y159-V166 HydrophobicContact CE2-CG2 3.83Å; Y159-V166 PolarHBondContact O-N 3.38Å; E161-V166 HydrophobicContact CB-CG2 3.45Å; E161-V166 VanDerWaalsContact CB-CG2 3.45Å; E161-V166 HydrophobicContact CG-CG2 4.49Å; E161-V166 WeakPolarHBondContact OE2-CG2 3.26Å; L164-V166 PolarHBondContact O-N 2.94Å; V166-D168 HydrophobicContact CG1-CB 4.25Å; V166-K171 HydrophobicContact CG1-CB 4.05Å; V166-K171 HydrophobicContact CG1-CD 3.96Å
167	R	84	Confident	87.5	Confident	176 Å²	176	77.5 Å²	77.5	66%	0.664	39%	0.386	S	S	*	.			trans	-104	-0	179	-65	-174.1	174.9	-165.6	-4.3	113.9	V93 L165 K169	V93-R167 HydrophobicContact CG1-CG 4.26Å; V93-R167 HydrophobicContact CG2-CB 4.14Å; V93-R167 WeakPolarHBondContact CG2-O 3.48Å; L165-R167 HydrophobicContact CD2-CG 4.44Å; L165-R167 PolarHBondContact O-N 3.17Å; R167-K169 PolarHBondContact O-N 3.39Å
168	D	86.8	Confident	87.7	Confident	79 Å²	79	85.2 Å²	85.2	42%	0.422	42%	0.417	S	S	.	.			trans	-76.5	115.8	-177.1	-174.5	-3.9	0	0	0	111.6	V166 E170 K171 L172	V166-D168 HydrophobicContact CG1-CB 4.25Å; D168-E170 VanDerWaalsContact C-N 3.31Å; D168-E170 PolarHBondContact O-N 2.61Å; D168-E170 PolarHBondContact OD1-N 3.45Å; D168-K171 HydrophobicContact CB-CB 4.15Å; D168-K171 HydrophobicContact CB-CD 4.07Å; D168-K171 HydrophobicContact CB-CG 4.05Å; D168-K171 WeakPolarHBondContact O-CB 3.15Å; D168-K171 PolarHBondContact O-N 3.12Å; D168-K171 VanDerWaalsContact O-N 3.15Å; D168-L172 WeakPolarHBondContact O-CG 3.37Å; D168-L172 PolarHBondContact O-N 3.11Å
169	K	85.6	Confident	87.9	Confident	71 Å²	71	91 Å²	91	31%	0.309	44%	0.438	S	S	.	.	H	α-helix	trans	-60.3	-37.9	-172.4	-60.6	169.8	-163.9	168.6	0	112.7	K90 D91 R167 L172 K173	K90-K169 WeakPolarHBondContact O-CE 3.27Å; K90-K169 PolarHBondContact O-NZ 3.31Å; D91-K169 IonicContact OD1-NZ 2.81Å; D91-K169 PolarHBondContact OD1-NZ 3.16Å; R167-K169 PolarHBondContact O-N 3.39Å; K169-L172 PolarHBondContact O-N 3.33Å; K169-K173 WeakPolarHBondContact O-CB 3.21Å; K169-K173 PolarHBondContact O-N 3.02Å
170	E	88.2	Confident	88	Confident	109 Å²	109	98.1 Å²	98.1	51%	0.509	46%	0.464	S	S	.	.	H	α-helix	trans	-69.8	-39.7	-179.9	-69.1	-56.3	141.8	0	0	110.7	D168 K173 Q174	D168-E170 VanDerWaalsContact C-N 3.31Å; D168-E170 PolarHBondContact O-N 2.61Å; D168-E170 PolarHBondContact OD1-N 3.45Å; E170-K173 PolarHBondContact O-N 2.96Å; E170-Q174 WeakPolarHBondContact O-CB 2.93Å; E170-Q174 VanDerWaalsContact O-CG 3.26Å; E170-Q174 WeakPolarHBondContact O-CG 3.34Å; E170-Q174 PolarHBondContact O-N 3.05Å
171	K	89.3	Confident	88.1	Confident	97 Å²	97	94.7 Å²	94.7	42%	0.422	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-44	173.4	-66.2	-172.1	-179.8	-171.4	0	111.8	V166 D168 K173 Q174 A175	V166-K171 HydrophobicContact CG1-CB 4.05Å; V166-K171 HydrophobicContact CG1-CD 3.96Å; D168-K171 HydrophobicContact CB-CB 4.15Å; D168-K171 HydrophobicContact CB-CD 4.07Å; D168-K171 HydrophobicContact CB-CG 4.05Å; D168-K171 WeakPolarHBondContact O-CB 3.15Å; D168-K171 PolarHBondContact O-N 3.12Å; D168-K171 VanDerWaalsContact O-N 3.15Å; K171-K173 PolarHBondContact O-N 3.44Å; K171-Q174 PolarHBondContact O-N 3.37Å; K171-A175 WeakPolarHBondContact O-CB 3.39Å; K171-A175 PolarHBondContact O-N 2.88Å
172	L	89.9	Confident	88.4	Confident	3 Å²	3	92.5 Å²	92.5	2%	0.016	43%	0.434	C	S	.	.	H	α-helix	trans	-60.8	-45.5	177.1	-63.7	-175.9	0	0	0	111.7	V93 T157 Y159 D168 K169 A175 Y176	V93-L172 HydrophobicContact CG1-CD1 3.87Å; V93-L172 HydrophobicContact CG2-CD1 4.24Å; T157-L172 WeakPolarHBondContact O-CD2 3.32Å; Y159-L172 HydrophobicContact CD1-CD2 3.63Å; Y159-L172 HydrophobicContact CE1-CD2 3.82Å; D168-L172 WeakPolarHBondContact O-CG 3.37Å; D168-L172 PolarHBondContact O-N 3.11Å; K169-L172 PolarHBondContact O-N 3.33Å; L172-A175 PolarHBondContact O-N 3.45Å; L172-Y176 WeakPolarHBondContact O-CB 3.24Å; L172-Y176 PolarHBondContact O-N 2.92Å
173	K	90.1	Very high	88.7	Confident	95 Å²	95	88.4 Å²	88.4	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-60.5	-49	176.8	-179.5	-174.8	174	-171.4	0	111.7	F155 K169 E170 K171 A175 Y176 L177	F155-K173 HydrophobicContact CD1-CB 4.3Å; F155-K173 HydrophobicContact CD1-CG 3.94Å; F155-K173 HydrophobicContact CE1-CG 3.92Å; K169-K173 WeakPolarHBondContact O-CB 3.21Å; K169-K173 PolarHBondContact O-N 3.02Å; E170-K173 PolarHBondContact O-N 2.96Å; K171-K173 PolarHBondContact O-N 3.44Å; K173-A175 VanDerWaalsContact C-N 3.34Å; K173-A175 PolarHBondContact O-N 3.23Å; K173-Y176 PolarHBondContact O-N 3.43Å; K173-L177 HydrophobicContact CG-CD1 3.95Å; K173-L177 HydrophobicContact CG-CG 4.49Å; K173-L177 WeakPolarHBondContact O-CB 3.41Å; K173-L177 VanDerWaalsContact O-CG 3.28Å; K173-L177 WeakPolarHBondContact O-CG 3.23Å; K173-L177 PolarHBondContact O-N 3.14Å
174	Q	91.5	Very high	89.2	Confident	127 Å²	127	88 Å²	88	59%	0.593	40%	0.401	S	S	*	.	H	α-helix	trans	-63.3	-41.3	178.6	-71.2	175.8	19	0	0	111.7	E170 K171 K178	E170-Q174 WeakPolarHBondContact O-CB 2.93Å; E170-Q174 VanDerWaalsContact O-CG 3.26Å; E170-Q174 WeakPolarHBondContact O-CG 3.34Å; E170-Q174 PolarHBondContact O-N 3.05Å; K171-Q174 PolarHBondContact O-N 3.37Å; Q174-K178 WeakPolarHBondContact O-CB 3.32Å; Q174-K178 PolarHBondContact O-N 3.35Å; Q174-K178 VanDerWaalsContact O-N 3.07Å
175	A	89.7	Confident	89.6	Confident	36 Å²	36	82 Å²	82	30%	0.298	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-41.6	176.6	0	0	0	0	0	112	Y159 K171 L172 K173 R179	Y159-A175 HydrophobicContact CD1-CB 3.99Å; Y159-A175 HydrophobicContact CE1-CB 3.67Å; K171-A175 WeakPolarHBondContact O-CB 3.39Å; K171-A175 PolarHBondContact O-N 2.88Å; L172-A175 PolarHBondContact O-N 3.45Å; K173-A175 VanDerWaalsContact C-N 3.34Å; K173-A175 PolarHBondContact O-N 3.23Å; A175-R179 PolarHBondContact O-N 2.94Å
176	Y	91	Very high	89.9	Confident	13 Å²	13	83.7 Å²	83.7	5%	0.051	38%	0.378	C	S	.	.	H	α-helix	trans	-68.1	-46.5	178.1	-174.3	-119.2	0	0	0	112.2	I151 F155 L172 K173 K178 R179 F182 D185	I151-Y176 HydrophobicContact CG2-CE1 4.49Å; F155-Y176 AromaticContact CD1-CD1 3.69Å; F155-Y176 HydrophobicContact CD1-CD1 3.69Å; F155-Y176 HydrophobicContact CD1-CE1 4.44Å; F155-Y176 HydrophobicContact CD2-CD1 4.15Å; F155-Y176 HydrophobicContact CD2-CE1 4.1Å; F155-Y176 AromaticContact CE1-CD1 3.68Å; F155-Y176 HydrophobicContact CE1-CD1 3.68Å; F155-Y176 HydrophobicContact CE1-CE1 4.35Å; F155-Y176 HydrophobicContact CE2-CD1 4.15Å; F155-Y176 HydrophobicContact CE2-CE1 4Å; F155-Y176 AromaticContact CG-CD1 3.92Å; F155-Y176 HydrophobicContact CG-CD1 3.92Å; F155-Y176 HydrophobicContact CG-CE1 4.31Å; F155-Y176 AromaticContact CZ-CD1 3.91Å; F155-Y176 HydrophobicContact CZ-CD1 3.91Å; F155-Y176 HydrophobicContact CZ-CE1 4.12Å; L172-Y176 WeakPolarHBondContact O-CB 3.24Å; L172-Y176 PolarHBondContact O-N 2.92Å; K173-Y176 PolarHBondContact O-N 3.43Å; Y176-K178 VanDerWaalsContact C-N 3.26Å; Y176-K178 PolarHBondContact O-N 3.37Å; Y176-R179 WeakPolarHBondContact O-CB 3.47Å; Y176-R179 PolarHBondContact O-N 3.36Å; Y176-F182 HydrophobicContact CD1-CB 4.49Å; Y176-F182 AromaticContact CD1-CD2 3.98Å; Y176-F182 HydrophobicContact CD1-CD2 3.98Å; Y176-F182 HydrophobicContact CE1-CB 4.25Å; Y176-F182 AromaticContact CE1-CD2 3.47Å; Y176-F182 HydrophobicContact CE1-CD2 3.47Å; Y176-F182 VanDerWaalsContact CE1-CD2 3.47Å; Y176-F182 HydrophobicContact CE1-CE2 4.29Å; Y176-F182 HydrophobicContact CE1-CG 4.29Å; Y176-F182 WeakPolarHBondContact O-CB 3.29Å; Y176-D185 PolarHBondContact OH-OD2 2.96Å
177	L	91.6	Very high	90.1	Very high	76 Å²	76	86.4 Å²	86.4	40%	0.398	39%	0.391	S	S	.	.	H	α-helix	trans	-61.4	-32.9	177.7	-72.1	171.6	0	0	0	113	F155 K173 R179 F182	F155-L177 HydrophobicContact CE1-CD2 4.11Å; F155-L177 HydrophobicContact CE1-CG 4.15Å; F155-L177 HydrophobicContact CZ-CD2 4.21Å; K173-L177 HydrophobicContact CG-CD1 3.95Å; K173-L177 HydrophobicContact CG-CG 4.49Å; K173-L177 WeakPolarHBondContact O-CB 3.41Å; K173-L177 VanDerWaalsContact O-CG 3.28Å; K173-L177 WeakPolarHBondContact O-CG 3.23Å; K173-L177 PolarHBondContact O-N 3.14Å; L177-R179 VanDerWaalsContact C-N 3.29Å; L177-F182 HydrophobicContact CD2-CD1 3.82Å; L177-F182 HydrophobicContact CD2-CD2 4.27Å; L177-F182 HydrophobicContact CD2-CE1 3.5Å; L177-F182 HydrophobicContact CD2-CE2 3.98Å; L177-F182 HydrophobicContact CD2-CG 4.19Å; L177-F182 HydrophobicContact CD2-CZ 3.58Å
178	K	91	Very high	90.4	Very high	194 Å²	194	78.1 Å²	78.1	84%	0.843	36%	0.36	S	S	*	.	H	α-helix	trans	-74	-20.5	176.7	-167.5	175.5	-179.1	-179.6	0	112.6	Q174 Y176	Q174-K178 WeakPolarHBondContact O-CB 3.32Å; Q174-K178 PolarHBondContact O-N 3.35Å; Q174-K178 VanDerWaalsContact O-N 3.07Å; Y176-K178 VanDerWaalsContact C-N 3.26Å; Y176-K178 PolarHBondContact O-N 3.37Å
179	R	90.1	Very high	90.5	Very high	126 Å²	126	76.5 Å²	76.5	48%	0.475	35%	0.351	S	S	.	.	S	Bend	trans	-81.3	137.1	-176	-164.1	-177	-73.5	-148.9	-5.4	110.7	A175 Y176 L177 Q181 F182	A175-R179 PolarHBondContact O-N 2.94Å; Y176-R179 WeakPolarHBondContact O-CB 3.47Å; Y176-R179 PolarHBondContact O-N 3.36Å; L177-R179 VanDerWaalsContact C-N 3.29Å; R179-Q181 HydrophobicContact CG-CB 4.08Å; R179-Q181 HydrophobicContact CG-CG 4.08Å; R179-Q181 PolarHBondContact O-N 3.23Å; R179-F182 PolarHBondContact O-N 3.27Å
180	R	89.6	Confident	90.6	Very high	214 Å²	214	77.4 Å²	77.4	81%	0.808	36%	0.359	S	S	*	.	H	α-helix	trans	-54.9	-26.5	175.3	-73.7	-175.1	167.3	-172.4	-3.7	114	F182 I183 I184	R180-F182 PolarHBondContact O-N 2.82Å; R180-I183 PolarHBondContact O-N 3.24Å; R180-I184 PolarHBondContact O-N 3.3Å
181	Q	89.5	Confident	90.4	Very high	48 Å²	48	75.8 Å²	75.8	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-56.3	-36.6	176.1	-69.2	177.4	-18	0	0	112.4	R179 I183 I184 D185 Y217	R179-Q181 HydrophobicContact CG-CB 4.08Å; R179-Q181 HydrophobicContact CG-CG 4.08Å; R179-Q181 PolarHBondContact O-N 3.23Å; Q181-I183 PolarHBondContact O-N 3.5Å; Q181-I184 PolarHBondContact O-N 2.84Å; Q181-D185 WeakPolarHBondContact O-CB 3.35Å; Q181-D185 PolarHBondContact O-N 2.82Å; Q181-Y217 HydrophobicContact CB-CE2 4.31Å; Q181-Y217 HydrophobicContact CG-CD2 4.31Å; Q181-Y217 HydrophobicContact CG-CE2 3.92Å
182	F	91.1	Very high	90.1	Very high	43 Å²	43	72.3 Å²	72.3	19%	0.189	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-41.9	178.3	176.2	-110.3	0	0	0	112.4	F155 Y176 L177 R179 R180 I184 D185 I186	F155-F182 HydrophobicContact CE2-CE2 4.24Å; F155-F182 HydrophobicContact CZ-CD2 4.32Å; F155-F182 AromaticContact CZ-CE2 3.79Å; F155-F182 HydrophobicContact CZ-CE2 3.79Å; Y176-F182 HydrophobicContact CD1-CB 4.49Å; Y176-F182 AromaticContact CD1-CD2 3.98Å; Y176-F182 HydrophobicContact CD1-CD2 3.98Å; Y176-F182 HydrophobicContact CE1-CB 4.25Å; Y176-F182 AromaticContact CE1-CD2 3.47Å; Y176-F182 HydrophobicContact CE1-CD2 3.47Å; Y176-F182 VanDerWaalsContact CE1-CD2 3.47Å; Y176-F182 HydrophobicContact CE1-CE2 4.29Å; Y176-F182 HydrophobicContact CE1-CG 4.29Å; Y176-F182 WeakPolarHBondContact O-CB 3.29Å; L177-F182 HydrophobicContact CD2-CD1 3.82Å; L177-F182 HydrophobicContact CD2-CD2 4.27Å; L177-F182 HydrophobicContact CD2-CE1 3.5Å; L177-F182 HydrophobicContact CD2-CE2 3.98Å; L177-F182 HydrophobicContact CD2-CG 4.19Å; L177-F182 HydrophobicContact CD2-CZ 3.58Å; R179-F182 PolarHBondContact O-N 3.27Å; R180-F182 PolarHBondContact O-N 2.82Å; F182-I184 VanDerWaalsContact C-N 3.33Å; F182-I184 PolarHBondContact O-N 3.48Å; F182-D185 WeakPolarHBondContact O-CB 3.19Å; F182-D185 PolarHBondContact O-N 3.3Å; F182-I186 HydrophobicContact CD1-CG1 4.46Å; F182-I186 HydrophobicContact CD2-CG1 4.35Å; F182-I186 HydrophobicContact CE1-CG1 3.98Å; F182-I186 HydrophobicContact CE2-CD1 3.82Å; F182-I186 HydrophobicContact CE2-CG1 3.88Å; F182-I186 HydrophobicContact CZ-CD1 3.77Å; F182-I186 HydrophobicContact CZ-CG1 3.68Å; F182-I186 WeakPolarHBondContact O-CG1 3.28Å; F182-I186 PolarHBondContact O-N 2.84Å
183	I	92.6	Very high	89.6	Confident	106 Å²	106	72.5 Å²	72.5	54%	0.544	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-43.3	179.1	-58.4	177.1	0	0	0	110.4	R180 Q181 D185 I186 I187	R180-I183 PolarHBondContact O-N 3.24Å; Q181-I183 PolarHBondContact O-N 3.5Å; I183-D185 VanDerWaalsContact C-N 3.29Å; I183-D185 PolarHBondContact O-N 2.83Å; I183-I186 PolarHBondContact O-N 3.38Å; I183-I187 HydrophobicContact CG2-CD1 4.07Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 3.34Å; I183-I187 VanDerWaalsContact O-N 3.07Å
184	I	93.1	Very high	89	Confident	48 Å²	48	72.9 Å²	72.9	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-41.1	177.2	-62.5	173.3	0	0	0	110.5	R180 Q181 F182 I187 T188 M214 Y217	R180-I184 PolarHBondContact O-N 3.3Å; Q181-I184 PolarHBondContact O-N 2.84Å; F182-I184 VanDerWaalsContact C-N 3.33Å; F182-I184 PolarHBondContact O-N 3.48Å; I184-I187 PolarHBondContact O-N 3.36Å; I184-T188 PolarHBondContact O-N 3.38Å; I184-T188 PolarHBondContact O-OG1 2.94Å; I184-M214 HydrophobicContact CG2-CB 4.03Å; I184-M214 VanDerWaalsContact CG2-O 3.25Å; I184-M214 WeakPolarHBondContact CG2-O 3.48Å; I184-Y217 HydrophobicContact CB-CE1 4.41Å; I184-Y217 HydrophobicContact CG2-CD1 3.85Å; I184-Y217 HydrophobicContact CG2-CE1 3.85Å
185	D	93.3	Very high	88.5	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-39.7	178	-84.7	11	0	0	0	113.1	I151 Y176 Q181 F182 I183 T188 I189 K215 Y217	I151-D185 HydrophobicContact CD1-CB 4.14Å; I151-D185 HydrophobicContact CG1-CB 3.94Å; Y176-D185 PolarHBondContact OH-OD2 2.96Å; Q181-D185 WeakPolarHBondContact O-CB 3.35Å; Q181-D185 PolarHBondContact O-N 2.82Å; F182-D185 WeakPolarHBondContact O-CB 3.19Å; F182-D185 PolarHBondContact O-N 3.3Å; I183-D185 VanDerWaalsContact C-N 3.29Å; I183-D185 PolarHBondContact O-N 2.83Å; D185-T188 WeakPolarHBondContact O-CB 3.21Å; D185-T188 PolarHBondContact O-N 3.38Å; D185-I189 PolarHBondContact O-N 2.77Å; D185-K215 IonicContact OD1-NZ 3.92Å; D185-K215 PolarHBondContact OD1-NZ 3.25Å; D185-K215 IonicContact OD2-NZ 3.79Å; D185-K215 PolarHBondContact OD2-NZ 2.81Å; D185-Y217 VanDerWaalsContact CG-OH 3.24Å; D185-Y217 VanDerWaalsContact OD1-CE1 3.32Å; D185-Y217 WeakPolarHBondContact OD1-CE1 3.4Å; D185-Y217 PolarHBondContact OD1-OH 3.29Å; D185-Y217 PolarHBondContact OD2-OH 2.9Å
186	I	92.2	Very high	87.8	Confident	77 Å²	77	70.1 Å²	70.1	40%	0.395	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-40.7	174.8	-65	-59.6	0	0	0	111.5	F182 I183 T188 I189 L190	F182-I186 HydrophobicContact CD1-CG1 4.46Å; F182-I186 HydrophobicContact CD2-CG1 4.35Å; F182-I186 HydrophobicContact CE1-CG1 3.98Å; F182-I186 HydrophobicContact CE2-CD1 3.82Å; F182-I186 HydrophobicContact CE2-CG1 3.88Å; F182-I186 HydrophobicContact CZ-CD1 3.77Å; F182-I186 HydrophobicContact CZ-CG1 3.68Å; F182-I186 WeakPolarHBondContact O-CG1 3.28Å; F182-I186 PolarHBondContact O-N 2.84Å; I183-I186 PolarHBondContact O-N 3.38Å; I186-T188 VanDerWaalsContact C-N 3.28Å; I186-T188 PolarHBondContact O-N 2.79Å; I186-I189 PolarHBondContact O-N 3.22Å; I186-L190 PolarHBondContact O-N 3.39Å
187	I	91.6	Very high	86.9	Confident	76 Å²	76	76.3 Å²	76.3	39%	0.39	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-38.3	176.1	-67	166.3	0	0	0	110.8	I183 I184 I189 L190 N211 M214	I183-I187 HydrophobicContact CG2-CD1 4.07Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 3.34Å; I183-I187 VanDerWaalsContact O-N 3.07Å; I184-I187 PolarHBondContact O-N 3.36Å; I187-I189 PolarHBondContact O-N 3.26Å; I187-L190 WeakPolarHBondContact O-CB 3.49Å; I187-L190 PolarHBondContact O-N 2.88Å; I187-N211 PolarHBondContact O-ND2 3.16Å; I187-N211 VanDerWaalsContact O-ND2 3.09Å; I187-M214 HydrophobicContact CG2-CG 4.33Å
188	T	91.3	Very high	86.4	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-40.6	-179.4	-55.8	0	0	0	0	111.8	Y147 I184 D185 I186 L190 N211 R212 K215	Y147-T188 HydrophobicContact CD2-CG2 3.59Å; Y147-T188 HydrophobicContact CE2-CG2 3.65Å; Y147-T188 HydrophobicContact CG-CG2 4.49Å; I184-T188 PolarHBondContact O-N 3.38Å; I184-T188 PolarHBondContact O-OG1 2.94Å; D185-T188 WeakPolarHBondContact O-CB 3.21Å; D185-T188 PolarHBondContact O-N 3.38Å; I186-T188 VanDerWaalsContact C-N 3.28Å; I186-T188 PolarHBondContact O-N 2.79Å; T188-L190 VanDerWaalsContact C-N 3.35Å; T188-N211 PolarHBondContact O-ND2 3.48Å; T188-R212 WeakPolarHBondContact O-CD 3.35Å; T188-K215 HydrophobicContact CG2-CB 3.89Å; T188-K215 HydrophobicContact CG2-CD 4.2Å; T188-K215 HydrophobicContact CG2-CG 4.47Å
189	I	88.9	Confident	85.5	Confident	45 Å²	45	72.2 Å²	72.2	23%	0.231	36%	0.359	C	S	.	.	H	α-helix	trans	-87.8	-3.6	-175.5	-152.8	160.7	0	0	0	113.9	F148 I151 D185 I186 I187 P191	F148-I189 HydrophobicContact CB-CD1 3.78Å; F148-I189 HydrophobicContact CD2-CD1 3.74Å; F148-I189 HydrophobicContact CG-CD1 4.26Å; I151-I189 HydrophobicContact CD1-CB 4.41Å; I151-I189 HydrophobicContact CD1-CD1 3.96Å; I151-I189 HydrophobicContact CD1-CG2 4.3Å; D185-I189 PolarHBondContact O-N 2.77Å; I186-I189 PolarHBondContact O-N 3.22Å; I187-I189 PolarHBondContact O-N 3.26Å; I189-P191 WeakPolarHBondContact O-CD 3.27Å
190	L	88	Confident	84.6	Confident	91 Å²	91	73.1 Å²	73.1	48%	0.476	37%	0.372	S	S	.	.			trans	-58.4	123.7	-178.9	-162.8	141.4	0	0	0	109.1	I186 I187 T188 T192 N211	I186-L190 PolarHBondContact O-N 3.39Å; I187-L190 WeakPolarHBondContact O-CB 3.49Å; I187-L190 PolarHBondContact O-N 2.88Å; T188-L190 VanDerWaalsContact C-N 3.35Å; L190-T192 HydrophobicContact CD2-CG2 3.44Å; L190-T192 VanDerWaalsContact CD2-CG2 3.44Å; L190-T192 PolarHBondContact O-N 3.37Å; L190-N211 PolarHBondContact O-ND2 3.18Å
191	P	83.1	Confident	83.6	Confident	74 Å²	74	66.1 Å²	66.1	48%	0.481	35%	0.348	S	S	.	.			trans	-79.5	62.7	-172.2	34	-37.8	0	0	0	110.4	I189 D193 L194	I189-P191 WeakPolarHBondContact O-CD 3.27Å; P191-D193 PolarHBondContact O-N 2.96Å; P191-L194 HydrophobicContact CB-CD1 3.91Å; P191-L194 HydrophobicContact CB-CG 4.07Å; P191-L194 HydrophobicContact CG-CD1 3.8Å; P191-L194 HydrophobicContact CG-CG 4.47Å; P191-L194 WeakPolarHBondContact O-CB 3.39Å; P191-L194 WeakPolarHBondContact O-CG 3.09Å; P191-L194 PolarHBondContact O-N 3.27Å
192	T	83.4	Confident	82.3	Confident	25 Å²	25	68.7 Å²	68.7	15%	0.153	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-57.6	-20.9	176.3	51	0	0	0	0	111.9	L190 L194 L195 L208 N211 R212	L190-T192 HydrophobicContact CD2-CG2 3.44Å; L190-T192 VanDerWaalsContact CD2-CG2 3.44Å; L190-T192 PolarHBondContact O-N 3.37Å; T192-L194 PolarHBondContact O-N 2.91Å; T192-L195 WeakPolarHBondContact O-CB 3.5Å; T192-L195 WeakPolarHBondContact O-CG 3.34Å; T192-L195 PolarHBondContact O-N 3.46Å; T192-L208 WeakPolarHBondContact CB-O 3.5Å; T192-L208 PolarHBondContact OG1-O 3.49Å; T192-N211 PolarHBondContact OG1-OD1 3.38Å; T192-R212 PolarHBondContact OG1-NH1 2.9Å
193	D	78.9	Confident	80.9	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.037	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-62.3	-24.8	174.8	-51.2	-7.5	0	0	0	113	P191 L195 Y196 R209 R212	P191-D193 PolarHBondContact O-N 2.96Å; D193-L195 PolarHBondContact O-N 3.1Å; D193-L195 VanDerWaalsContact O-N 3.11Å; D193-Y196 HydrophobicContact CB-CD2 3.82Å; D193-Y196 HydrophobicContact CB-CE2 3.69Å; D193-Y196 WeakPolarHBondContact O-CB 3.39Å; D193-Y196 WeakPolarHBondContact O-CD2 3.46Å; D193-Y196 PolarHBondContact O-N 3.48Å; D193-R209 WeakPolarHBondContact OD1-CG 3.38Å; D193-R209 IonicContact OD1-CZ 2.76Å; D193-R209 IonicContact OD1-NE 2.68Å; D193-R209 PolarHBondContact OD1-NE 3.31Å; D193-R209 VanDerWaalsContact OD1-NE 3.1Å; D193-R209 IonicContact OD2-CZ 2.7Å; D193-R209 IonicContact OD2-NE 2.82Å; D193-R209 PolarHBondContact OD2-NE 3.16Å; D193-R209 IonicContact OD2-NH2 3.17Å; D193-R209 PolarHBondContact OD2-NH2 3.23Å; D193-R212 IonicContact OD1-CZ 3.55Å; D193-R212 IonicContact OD1-NH1 3.31Å; D193-R212 PolarHBondContact OD1-NH1 3.2Å; D193-R212 IonicContact OD1-NH2 2.63Å; D193-R212 PolarHBondContact OD1-NH2 3.44Å; D193-R212 VanDerWaalsContact OD1-NH2 3.1Å; D193-R212 IonicContact OD2-CZ 2.74Å; D193-R212 IonicContact OD2-NH1 2.82Å; D193-R212 IonicContact OD2-NH2 3.83Å; D193-R212 PolarHBondContact OD2-NH2 3.36Å
194	L	77.3	Confident	79.6	Confident	103 Å²	103	71.9 Å²	71.9	54%	0.539	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-62	-19.5	175.3	-66.4	174.2	0	0	0	111.7	P191 T192 Y196 L197	P191-L194 HydrophobicContact CB-CD1 3.91Å; P191-L194 HydrophobicContact CB-CG 4.07Å; P191-L194 HydrophobicContact CG-CD1 3.8Å; P191-L194 HydrophobicContact CG-CG 4.47Å; P191-L194 WeakPolarHBondContact O-CB 3.39Å; P191-L194 WeakPolarHBondContact O-CG 3.09Å; P191-L194 PolarHBondContact O-N 3.27Å; T192-L194 PolarHBondContact O-N 2.91Å; L194-Y196 PolarHBondContact O-N 3.26Å; L194-L197 WeakPolarHBondContact O-CB 3.46Å; L194-L197 WeakPolarHBondContact O-CG 3.42Å; L194-L197 PolarHBondContact O-N 3.46Å; L194-L197 VanDerWaalsContact O-N 3.16Å
195	L	80.3	Confident	78.7	Confident	69 Å²	69	70 Å²	70	36%	0.361	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-66.9	-15.5	172.5	-61.3	170.2	0	0	0	112.8	T192 D193 L197 I198 F201 L208	T192-L195 WeakPolarHBondContact O-CB 3.5Å; T192-L195 WeakPolarHBondContact O-CG 3.34Å; T192-L195 PolarHBondContact O-N 3.46Å; D193-L195 PolarHBondContact O-N 3.1Å; D193-L195 VanDerWaalsContact O-N 3.11Å; L195-L197 PolarHBondContact O-N 3.37Å; L195-L197 VanDerWaalsContact O-N 3.17Å; L195-I198 HydrophobicContact CD2-CD1 3.72Å; L195-I198 WeakPolarHBondContact O-CB 3.33Å; L195-I198 PolarHBondContact O-N 3.06Å; L195-F201 HydrophobicContact CB-CD2 4.45Å; L195-L208 HydrophobicContact CB-CD1 4.03Å; L195-L208 HydrophobicContact CD1-CD2 4.02Å
196	Y	75	Confident	78.1	Confident	35 Å²	35	70 Å²	70	14%	0.137	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-61.2	-18.4	169.8	-64.8	-44.2	0	0	0	113.5	D193 L194 I198 A205 L208	D193-Y196 HydrophobicContact CB-CD2 3.82Å; D193-Y196 HydrophobicContact CB-CE2 3.69Å; D193-Y196 WeakPolarHBondContact O-CB 3.39Å; D193-Y196 WeakPolarHBondContact O-CD2 3.46Å; D193-Y196 PolarHBondContact O-N 3.48Å; L194-Y196 PolarHBondContact O-N 3.26Å; Y196-I198 PolarHBondContact O-N 3.35Å; Y196-A205 HydrophobicContact CE1-CB 4.09Å; Y196-A205 VanDerWaalsContact CE1-O 3.31Å; Y196-A205 WeakPolarHBondContact CE1-O 3.33Å; Y196-A205 PolarHBondContact OH-O 2.92Å; Y196-L208 HydrophobicContact CD1-CD1 4.12Å; Y196-L208 HydrophobicContact CE1-CD1 3.88Å
197	L	73.8	Confident	77.7	Confident	144 Å²	144	73.3 Å²	73.3	75%	0.754	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-74	-17.7	176	-62.2	173.5	0	0	0	112.4	L194 L195	L194-L197 WeakPolarHBondContact O-CB 3.46Å; L194-L197 WeakPolarHBondContact O-CG 3.42Å; L194-L197 PolarHBondContact O-N 3.46Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L195-L197 PolarHBondContact O-N 3.37Å; L195-L197 VanDerWaalsContact O-N 3.17Å
198	I	79.7	Confident	77.3	Confident	67 Å²	67	70.9 Å²	70.9	34%	0.344	36%	0.359	S	S	.	.	S	Bend	trans	-83.8	120.9	178.1	-58.1	172.9	0	0	0	107.7	L195 Y196 I200 F201	L195-I198 HydrophobicContact CD2-CD1 3.72Å; L195-I198 WeakPolarHBondContact O-CB 3.33Å; L195-I198 PolarHBondContact O-N 3.06Å; Y196-I198 PolarHBondContact O-N 3.35Å; I198-I200 HydrophobicContact CG2-CB 4.11Å; I198-I200 HydrophobicContact CG2-CD1 4.09Å; I198-I200 HydrophobicContact CG2-CG1 4.19Å; I198-I200 PolarHBondContact O-N 3Å; I198-F201 HydrophobicContact CB-CD2 4.03Å; I198-F201 HydrophobicContact CD1-CD2 4.34Å; I198-F201 HydrophobicContact CD1-CE2 4.46Å; I198-F201 HydrophobicContact CG2-CD2 4.15Å; I198-F201 CarbonylContact O-C 3.53Å; I198-F201 PolarHBondContact O-N 3.38Å
199	P	72.4	Confident	77.2	Confident	116 Å²	116	71.3 Å²	71.3	75%	0.753	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.6	-174.3	-25.5	32.4	0	0	0	115.2	F201	P199-F201 VanDerWaalsContact C-N 3.28Å; P199-F201 PolarHBondContact O-N 3.38Å
200	I	71.6	Confident	77.2	Confident	145 Å²	145	72.6 Å²	72.6	74%	0.744	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-37	177.2	-56.6	163.9	0	0	0	110.4	I198 N202	I198-I200 HydrophobicContact CG2-CB 4.11Å; I198-I200 HydrophobicContact CG2-CD1 4.09Å; I198-I200 HydrophobicContact CG2-CG1 4.19Å; I198-I200 PolarHBondContact O-N 3Å; I200-N202 PolarHBondContact O-N 2.87Å
201	F	68.5	Low	77.4	Confident	67 Å²	67	69.4 Å²	69.4	29%	0.294	35%	0.348	S	S	.	.	S	Bend	trans	-94.4	83.7	176.1	-60.6	-65.2	0	0	0	108.2	L195 I198 P199 A205 W207 L208	L195-F201 HydrophobicContact CB-CD2 4.45Å; I198-F201 HydrophobicContact CB-CD2 4.03Å; I198-F201 HydrophobicContact CD1-CD2 4.34Å; I198-F201 HydrophobicContact CD1-CE2 4.46Å; I198-F201 HydrophobicContact CG2-CD2 4.15Å; I198-F201 CarbonylContact O-C 3.53Å; I198-F201 PolarHBondContact O-N 3.38Å; P199-F201 VanDerWaalsContact C-N 3.28Å; P199-F201 PolarHBondContact O-N 3.38Å; F201-A205 HydrophobicContact CB-CB 4.47Å; F201-W207 HydrophobicContact CE1-CZ2 4.43Å; F201-L208 HydrophobicContact CB-CD1 4.37Å
202	N	62.6	Low	77.8	Confident	103 Å²	103	66.1 Å²	66.1	55%	0.551	33%	0.326	S	S	*	.			trans	-49.9	154.5	170.8	-85.7	-29.7	0	0	0	111	I200 Y204 A205	I200-N202 PolarHBondContact O-N 2.87Å; N202-Y204 HydrophobicContact CB-CD2 3.62Å; N202-Y204 HydrophobicContact CB-CE2 4.29Å; N202-Y204 HydrophobicContact CB-CG 4.48Å; N202-Y204 PolarHBondContact O-N 3.15Å; N202-A205 WeakPolarHBondContact O-CB 3.43Å; N202-A205 PolarHBondContact O-N 3.37Å
203	H	61.1	Low	78.2	Confident	110 Å²	110	66.2 Å²	66.2	51%	0.509	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-19.7	174.2	-103.7	46.3	0	0	0	114.2	H129 A205	H129-H203 PolarHBondContact NE2-O 3.34Å; H203-A205 PolarHBondContact O-N 3.35Å
204	Y	64.9	Low	78.8	Confident	106 Å²	106	70.2 Å²	70.2	42%	0.416	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.4	175.3	-51.5	-63.2	0	0	0	115	T126 E130 N202 S206	T126-Y204 HydrophobicContact CG2-CD1 4.01Å; T126-Y204 HydrophobicContact CG2-CG 4.37Å; E130-Y204 HydrophobicContact CG-CE1 3.91Å; E130-Y204 WeakPolarHBondContact OE1-CE1 3.15Å; N202-Y204 HydrophobicContact CB-CD2 3.62Å; N202-Y204 HydrophobicContact CB-CE2 4.29Å; N202-Y204 HydrophobicContact CB-CG 4.48Å; N202-Y204 PolarHBondContact O-N 3.15Å; Y204-S206 PolarHBondContact O-N 2.96Å
205	A	75.8	Confident	79.6	Confident	7 Å²	7	65.4 Å²	65.4	6%	0.058	32%	0.32	C	S	.	.			trans	-76	52	-177.6	0	0	0	0	0	113.4	Y196 F201 N202 H203 W207 L208	Y196-A205 HydrophobicContact CE1-CB 4.09Å; Y196-A205 VanDerWaalsContact CE1-O 3.31Å; Y196-A205 WeakPolarHBondContact CE1-O 3.33Å; Y196-A205 PolarHBondContact OH-O 2.92Å; F201-A205 HydrophobicContact CB-CB 4.47Å; N202-A205 WeakPolarHBondContact O-CB 3.43Å; N202-A205 PolarHBondContact O-N 3.37Å; H203-A205 PolarHBondContact O-N 3.35Å; A205-W207 VanDerWaalsContact CA-CD1 3.45Å; A205-W207 PolarHBondContact O-N 3.01Å; A205-L208 HydrophobicContact CB-CD1 3.76Å; A205-L208 HydrophobicContact CB-CG 4.17Å; A205-L208 WeakPolarHBondContact O-CB 3.22Å; A205-L208 PolarHBondContact O-N 3.36Å
206	S	80.6	Confident	80.2	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.007	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-58.1	-21.7	178	-66	0	0	0	0	112.9	Y204 L208 R209	Y204-S206 PolarHBondContact O-N 2.96Å; S206-L208 PolarHBondContact O-N 3.12Å; S206-R209 WeakPolarHBondContact O-CB 3.5Å; S206-R209 PolarHBondContact O-N 3.28Å; S206-R209 VanDerWaalsContact O-N 3.09Å
207	W	82.3	Confident	81	Confident	147 Å²	147	66.3 Å²	66.3	56%	0.557	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.1	-23.7	174.3	62.9	-73.5	0	0	0	114.3	F201 A205 R209 F210	F201-W207 HydrophobicContact CE1-CZ2 4.43Å; A205-W207 VanDerWaalsContact CA-CD1 3.45Å; A205-W207 PolarHBondContact O-N 3.01Å; W207-R209 PolarHBondContact O-N 3.33Å; W207-F210 VanDerWaalsContact CA-CD2 3.46Å; W207-F210 HydrophobicContact CB-CD2 4.26Å; W207-F210 HydrophobicContact CB-CE2 4.23Å; W207-F210 WeakPolarHBondContact O-CB 3.41Å; W207-F210 VanDerWaalsContact O-CD2 3.27Å; W207-F210 WeakPolarHBondContact O-CD2 3.26Å; W207-F210 PolarHBondContact O-N 3Å; W207-F210 VanDerWaalsContact O-N 3.14Å
208	L	84.1	Confident	81.8	Confident	25 Å²	25	59.7 Å²	59.7	13%	0.131	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-61.9	-23.4	174	-67.9	168.7	0	0	0	112.9	T192 L195 Y196 F201 A205 S206 F210 N211	T192-L208 WeakPolarHBondContact CB-O 3.5Å; T192-L208 PolarHBondContact OG1-O 3.49Å; L195-L208 HydrophobicContact CB-CD1 4.03Å; L195-L208 HydrophobicContact CD1-CD2 4.02Å; Y196-L208 HydrophobicContact CD1-CD1 4.12Å; Y196-L208 HydrophobicContact CE1-CD1 3.88Å; F201-L208 HydrophobicContact CB-CD1 4.37Å; A205-L208 HydrophobicContact CB-CD1 3.76Å; A205-L208 HydrophobicContact CB-CG 4.17Å; A205-L208 WeakPolarHBondContact O-CB 3.22Å; A205-L208 PolarHBondContact O-N 3.36Å; S206-L208 PolarHBondContact O-N 3.12Å; L208-F210 VanDerWaalsContact C-N 3.33Å; L208-N211 PolarHBondContact O-OD1 3.32Å
209	R	88.7	Confident	82.4	Confident	11 Å²	11	57.1 Å²	57.1	4%	0.042	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-83.4	0.5	177.8	-79.2	-179.4	165.2	146.6	7.9	114.5	L119 D140 D193 S206 W207 N211 R212	L119-R209 HydrophobicContact CD1-CB 4.33Å; L119-R209 WeakPolarHBondContact CD1-O 3.44Å; L119-R209 HydrophobicContact CD2-CB 3.63Å; D140-R209 IonicContact OD2-CZ 3.93Å; D140-R209 IonicContact OD2-NE 3.38Å; D140-R209 IonicContact OD2-NH1 3.77Å; D140-R209 PolarHBondContact OD2-NH1 2.86Å; D193-R209 WeakPolarHBondContact OD1-CG 3.38Å; D193-R209 IonicContact OD1-CZ 2.76Å; D193-R209 IonicContact OD1-NE 2.68Å; D193-R209 PolarHBondContact OD1-NE 3.31Å; D193-R209 VanDerWaalsContact OD1-NE 3.1Å; D193-R209 IonicContact OD2-CZ 2.7Å; D193-R209 IonicContact OD2-NE 2.82Å; D193-R209 PolarHBondContact OD2-NE 3.16Å; D193-R209 IonicContact OD2-NH2 3.17Å; D193-R209 PolarHBondContact OD2-NH2 3.23Å; S206-R209 WeakPolarHBondContact O-CB 3.5Å; S206-R209 PolarHBondContact O-N 3.28Å; S206-R209 VanDerWaalsContact O-N 3.09Å; W207-R209 PolarHBondContact O-N 3.33Å; R209-N211 PolarHBondContact O-N 3.07Å; R209-N211 VanDerWaalsContact O-N 3.11Å; R209-N211 PolarHBondContact O-OD1 3.44Å; R209-R212 WeakPolarHBondContact O-CB 3.05Å; R209-R212 WeakPolarHBondContact O-CD 3.25Å; R209-R212 PolarHBondContact O-N 3.04Å; R209-R212 VanDerWaalsContact O-N 3.07Å
210	F	90	Very high	83.4	Confident	72 Å²	72	56.5 Å²	56.5	32%	0.316	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.4	-177.9	-86.5	-124.5	0	0	0	113.4	L119 P120 W207 L208 R212 L213 W251	L119-F210 HydrophobicContact CB-CD2 4.44Å; L119-F210 HydrophobicContact CB-CE2 4.13Å; P120-F210 HydrophobicContact CG-CZ 4.38Å; W207-F210 VanDerWaalsContact CA-CD2 3.46Å; W207-F210 HydrophobicContact CB-CD2 4.26Å; W207-F210 HydrophobicContact CB-CE2 4.23Å; W207-F210 WeakPolarHBondContact O-CB 3.41Å; W207-F210 VanDerWaalsContact O-CD2 3.27Å; W207-F210 WeakPolarHBondContact O-CD2 3.26Å; W207-F210 PolarHBondContact O-N 3Å; W207-F210 VanDerWaalsContact O-N 3.14Å; L208-F210 VanDerWaalsContact C-N 3.33Å; F210-R212 PolarHBondContact O-N 3.39Å; F210-R212 VanDerWaalsContact O-N 3.13Å; F210-L213 HydrophobicContact CD1-CD1 3.93Å; F210-L213 HydrophobicContact CE1-CD1 4.38Å; F210-L213 HydrophobicContact CG-CD1 4.31Å; F210-L213 WeakPolarHBondContact O-CB 3.41Å; F210-L213 PolarHBondContact O-N 3.02Å; F210-L213 VanDerWaalsContact O-N 3.07Å; F210-W251 HydrophobicContact CE1-CH2 4.37Å
211	N	91.3	Very high	84.4	Confident	24 Å²	24	51.5 Å²	51.5	13%	0.128	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.8	-26.2	172.1	66.5	-47	0	0	0	112.9	I187 T188 L190 T192 L208 R209 L213 M214	I187-N211 PolarHBondContact O-ND2 3.16Å; I187-N211 VanDerWaalsContact O-ND2 3.09Å; T188-N211 PolarHBondContact O-ND2 3.48Å; L190-N211 PolarHBondContact O-ND2 3.18Å; T192-N211 PolarHBondContact OG1-OD1 3.38Å; L208-N211 PolarHBondContact O-OD1 3.32Å; R209-N211 PolarHBondContact O-N 3.07Å; R209-N211 VanDerWaalsContact O-N 3.11Å; R209-N211 PolarHBondContact O-OD1 3.44Å; N211-L213 PolarHBondContact O-N 3.18Å; N211-M214 VanDerWaalsContact O-CB 3.31Å; N211-M214 WeakPolarHBondContact O-CB 3.34Å; N211-M214 WeakPolarHBondContact O-CG 3.3Å; N211-M214 PolarHBondContact O-N 2.66Å
212	R	92	Very high	85.6	Confident	5 Å²	5	50.3 Å²	50.3	2%	0.019	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-66.4	-21	178.3	-80.6	59.8	173.8	-145.9	-12.3	113.4	D144 Y147 T188 T192 D193 R209 F210 M214	D144-R212 IonicContact OD1-NE 2.74Å; D144-R212 PolarHBondContact OD1-NE 3.41Å; D144-R212 IonicContact OD1-NH2 2.82Å; D144-R212 IonicContact OD2-CZ 3.07Å; D144-R212 IonicContact OD2-NE 3.22Å; D144-R212 IonicContact OD2-NH2 3.91Å; D144-R212 PolarHBondContact OD2-NH2 3.46Å; Y147-R212 HydrophobicContact CD2-CG 4.5Å; Y147-R212 HydrophobicContact CE2-CB 4.05Å; Y147-R212 HydrophobicContact CE2-CG 4.05Å; Y147-R212 PolarHBondContact OH-O 3.04Å; T188-R212 WeakPolarHBondContact O-CD 3.35Å; T192-R212 PolarHBondContact OG1-NH1 2.9Å; D193-R212 IonicContact OD1-CZ 3.55Å; D193-R212 IonicContact OD1-NH1 3.31Å; D193-R212 PolarHBondContact OD1-NH1 3.2Å; D193-R212 IonicContact OD1-NH2 2.63Å; D193-R212 PolarHBondContact OD1-NH2 3.44Å; D193-R212 VanDerWaalsContact OD1-NH2 3.1Å; D193-R212 IonicContact OD2-CZ 2.74Å; D193-R212 IonicContact OD2-NH1 2.82Å; D193-R212 IonicContact OD2-NH2 3.83Å; D193-R212 PolarHBondContact OD2-NH2 3.36Å; R209-R212 WeakPolarHBondContact O-CB 3.05Å; R209-R212 WeakPolarHBondContact O-CD 3.25Å; R209-R212 PolarHBondContact O-N 3.04Å; R209-R212 VanDerWaalsContact O-N 3.07Å; F210-R212 PolarHBondContact O-N 3.39Å; F210-R212 VanDerWaalsContact O-N 3.13Å; R212-M214 PolarHBondContact O-N 2.86Å
213	L	91.4	Very high	87.1	Confident	27 Å²	27	46 Å²	46	14%	0.141	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-75.1	-15.1	178.4	-60.1	175.9	0	0	0	112.7	N115 A116 L119 F210 N211 K215 I216 W251	N115-L213 HydrophobicContact CB-CD2 4.06Å; A116-L213 HydrophobicContact CB-CD2 4.11Å; L119-L213 HydrophobicContact CD1-CD2 4.26Å; L119-L213 HydrophobicContact CD1-CG 4.22Å; F210-L213 HydrophobicContact CD1-CD1 3.93Å; F210-L213 HydrophobicContact CE1-CD1 4.38Å; F210-L213 HydrophobicContact CG-CD1 4.31Å; F210-L213 WeakPolarHBondContact O-CB 3.41Å; F210-L213 PolarHBondContact O-N 3.02Å; F210-L213 VanDerWaalsContact O-N 3.07Å; N211-L213 PolarHBondContact O-N 3.18Å; L213-K215 PolarHBondContact O-N 3.4Å; L213-I216 WeakPolarHBondContact O-CB 3.45Å; L213-I216 PolarHBondContact O-N 3.37Å; L213-W251 HydrophobicContact CD1-CH2 3.5Å; L213-W251 HydrophobicContact CD1-CZ2 3.63Å
214	M	92.3	Very high	88.5	Confident	91 Å²	91	45.7 Å²	45.7	45%	0.448	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-60.5	-19.1	175.3	-67	-62.3	-68.1	0	0	112.8	I184 I187 N211 R212 I216	I184-M214 HydrophobicContact CG2-CB 4.03Å; I184-M214 VanDerWaalsContact CG2-O 3.25Å; I184-M214 WeakPolarHBondContact CG2-O 3.48Å; I187-M214 HydrophobicContact CG2-CG 4.33Å; N211-M214 VanDerWaalsContact O-CB 3.31Å; N211-M214 WeakPolarHBondContact O-CB 3.34Å; N211-M214 WeakPolarHBondContact O-CG 3.3Å; N211-M214 PolarHBondContact O-N 2.66Å; R212-M214 PolarHBondContact O-N 2.86Å; M214-I216 PolarHBondContact O-N 2.9Å
215	K	92.7	Very high	89.8	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.009	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-71.7	-1.4	174.6	-154.7	73.6	176.4	-173.4	0	114.1	V108 V112 Y147 D150 D185 T188 L213 Y217 R218	V108-K215 HydrophobicContact CG1-CG 4.37Å; V112-K215 HydrophobicContact CG2-CB 3.94Å; V112-K215 HydrophobicContact CG2-CG 4.08Å; Y147-K215 HydrophobicContact CD1-CG 4.32Å; Y147-K215 HydrophobicContact CE1-CB 4.41Å; Y147-K215 HydrophobicContact CE1-CG 3.98Å; Y147-K215 HydrophobicContact CE2-CB 4.33Å; D150-K215 WeakPolarHBondContact OD2-CE 3.37Å; D150-K215 IonicContact OD2-NZ 2.73Å; D150-K215 PolarHBondContact OD2-NZ 2.82Å; D185-K215 IonicContact OD1-NZ 3.92Å; D185-K215 PolarHBondContact OD1-NZ 3.25Å; D185-K215 IonicContact OD2-NZ 3.79Å; D185-K215 PolarHBondContact OD2-NZ 2.81Å; T188-K215 HydrophobicContact CG2-CB 3.89Å; T188-K215 HydrophobicContact CG2-CD 4.2Å; T188-K215 HydrophobicContact CG2-CG 4.47Å; L213-K215 PolarHBondContact O-N 3.4Å; K215-Y217 HydrophobicContact CD-CE1 4.08Å; K215-Y217 PolarHBondContact O-N 2.83Å; K215-R218 HydrophobicContact CD-CG 4.38Å; K215-R218 HydrophobicContact CG-CG 4.28Å; K215-R218 PolarHBondContact O-N 3.27Å
216	I	92.4	Very high	90.7	Very high	88 Å²	88	43.8 Å²	43.8	45%	0.451	20%	0.203	S	C	.	.	H	α-helix	trans	-53.3	-25.2	179.3	-163.8	164.7	0	0	0	114.2	L213 M214 R218 S219 F220	L213-I216 WeakPolarHBondContact O-CB 3.45Å; L213-I216 PolarHBondContact O-N 3.37Å; M214-I216 PolarHBondContact O-N 2.9Å; I216-R218 PolarHBondContact O-N 3.39Å; I216-S219 VanDerWaalsContact O-CB 3.31Å; I216-S219 WeakPolarHBondContact O-CB 3.23Å; I216-S219 PolarHBondContact O-N 3.5Å; I216-F220 HydrophobicContact CD1-CZ 4.39Å; I216-F220 HydrophobicContact CG1-CE2 4.08Å; I216-F220 HydrophobicContact CG1-CZ 4.25Å; I216-F220 HydrophobicContact CG2-CE2 4.26Å; I216-F220 PolarHBondContact O-N 2.89Å
217	Y	92.3	Very high	91.2	Very high	34 Å²	34	46 Å²	46	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-30.1	176.1	81.7	-92.7	0	0	0	113.4	Q181 I184 D185 K215 S219 F220 E221	Q181-Y217 HydrophobicContact CB-CE2 4.31Å; Q181-Y217 HydrophobicContact CG-CD2 4.31Å; Q181-Y217 HydrophobicContact CG-CE2 3.92Å; I184-Y217 HydrophobicContact CB-CE1 4.41Å; I184-Y217 HydrophobicContact CG2-CD1 3.85Å; I184-Y217 HydrophobicContact CG2-CE1 3.85Å; D185-Y217 VanDerWaalsContact CG-OH 3.24Å; D185-Y217 VanDerWaalsContact OD1-CE1 3.32Å; D185-Y217 WeakPolarHBondContact OD1-CE1 3.4Å; D185-Y217 PolarHBondContact OD1-OH 3.29Å; D185-Y217 PolarHBondContact OD2-OH 2.9Å; K215-Y217 HydrophobicContact CD-CE1 4.08Å; K215-Y217 PolarHBondContact O-N 2.83Å; Y217-S219 VanDerWaalsContact C-N 3.34Å; Y217-F220 PolarHBondContact O-N 3.23Å; Y217-E221 PolarHBondContact O-N 3.35Å
218	R	92.1	Very high	91.5	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-33.6	174.9	-72.9	-60.8	-164.4	-178.3	5.1	112.2	Y101 I105 V108 D150 K215 I216 F220 E221 F222	Y101-R218 PolarHBondContact OH-NH1 2.94Å; I105-R218 WeakPolarHBondContact CG2-O 3.22Å; V108-R218 HydrophobicContact CG1-CB 4.1Å; V108-R218 HydrophobicContact CG1-CG 4.24Å; D150-R218 IonicContact OD1-NE 3.69Å; D150-R218 IonicContact OD1-NH2 2.9Å; D150-R218 IonicContact OD2-CZ 2.76Å; D150-R218 IonicContact OD2-NE 3.13Å; D150-R218 PolarHBondContact OD2-NE 2.83Å; D150-R218 VanDerWaalsContact OD2-NE 3.14Å; D150-R218 IonicContact OD2-NH2 3.56Å; D150-R218 PolarHBondContact OD2-NH2 3.41Å; K215-R218 HydrophobicContact CD-CG 4.38Å; K215-R218 HydrophobicContact CG-CG 4.28Å; K215-R218 PolarHBondContact O-N 3.27Å; I216-R218 PolarHBondContact O-N 3.39Å; R218-F220 VanDerWaalsContact C-N 3.34Å; R218-E221 IonicContact CZ-OE2 2.82Å; R218-E221 IonicContact NH1-OE2 3.38Å; R218-E221 PolarHBondContact NH1-OE2 2.93Å; R218-E221 PolarHBondContact O-N 3.14Å; R218-F222 PolarHBondContact O-N 3.35Å
219	S	92	Very high	91.8	Very high	13 Å²	13	48.6 Å²	48.6	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-38.5	175.6	-52.9	0	0	0	0	111.2	V112 I216 Y217 F222 V223	V112-S219 WeakPolarHBondContact CG1-OG 3.43Å; I216-S219 VanDerWaalsContact O-CB 3.31Å; I216-S219 WeakPolarHBondContact O-CB 3.23Å; I216-S219 PolarHBondContact O-N 3.5Å; Y217-S219 VanDerWaalsContact C-N 3.34Å; S219-F222 WeakPolarHBondContact O-CB 3.32Å; S219-F222 PolarHBondContact O-N 3.47Å; S219-V223 VanDerWaalsContact O-CG2 3.24Å; S219-V223 WeakPolarHBondContact O-CG2 3.33Å; S219-V223 PolarHBondContact O-N 3.14Å
220	F	93	Very high	91.9	Very high	104 Å²	104	50.5 Å²	50.5	46%	0.456	25%	0.247	S	C	.	.	H	α-helix	trans	-62.6	-44.4	172.3	-63	-54	0	0	0	111.7	I216 Y217 R218 F222 V223 D224	I216-F220 HydrophobicContact CD1-CZ 4.39Å; I216-F220 HydrophobicContact CG1-CE2 4.08Å; I216-F220 HydrophobicContact CG1-CZ 4.25Å; I216-F220 HydrophobicContact CG2-CE2 4.26Å; I216-F220 PolarHBondContact O-N 2.89Å; Y217-F220 PolarHBondContact O-N 3.23Å; R218-F220 VanDerWaalsContact C-N 3.34Å; F220-F222 VanDerWaalsContact C-N 3.28Å; F220-F222 PolarHBondContact O-N 3.21Å; F220-V223 PolarHBondContact O-N 3.41Å; F220-D224 PolarHBondContact O-N 3.4Å
221	E	92.6	Very high	91.8	Very high	40 Å²	40	54.8 Å²	54.8	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-38.2	174.5	-177.6	179.6	-177.3	0	0	112.3	Y101 I105 Y217 R218 R225	Y101-E221 PolarHBondContact OH-OE1 3.21Å; Y101-E221 VanDerWaalsContact OH-OE1 3.05Å; Y101-E221 PolarHBondContact OH-OE2 3.06Å; I105-E221 HydrophobicContact CD1-CG 4.14Å; Y217-E221 PolarHBondContact O-N 3.35Å; R218-E221 IonicContact CZ-OE2 2.82Å; R218-E221 IonicContact NH1-OE2 3.38Å; R218-E221 PolarHBondContact NH1-OE2 2.93Å; R218-E221 PolarHBondContact O-N 3.14Å; E221-R225 WeakPolarHBondContact O-CB 3.41Å; E221-R225 WeakPolarHBondContact O-CD 3.45Å; E221-R225 VanDerWaalsContact O-CG 3.23Å; E221-R225 WeakPolarHBondContact O-CG 3.3Å; E221-R225 PolarHBondContact O-N 3.44Å; E221-R225 IonicContact OE1-CZ 3.82Å; E221-R225 VanDerWaalsContact OE1-CZ 3.31Å; E221-R225 IonicContact OE1-NE 2.73Å; E221-R225 PolarHBondContact OE1-NE 3.15Å; E221-R225 IonicContact OE1-NH2 2.86Å; E221-R225 PolarHBondContact OE1-NH2 3.29Å
222	F	93.7	Very high	91.7	Very high	42 Å²	42	62 Å²	62	18%	0.184	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-48.9	174.9	-177.7	-108.1	0	0	0	112	Y102 I105 T109 R218 S219 F220 D224 R225 T226	Y102-F222 HydrophobicContact CD2-CE2 4.48Å; Y102-F222 HydrophobicContact CE2-CD2 4.26Å; Y102-F222 AromaticContact CE2-CE2 3.85Å; Y102-F222 HydrophobicContact CE2-CE2 3.85Å; Y102-F222 AromaticContact CZ-CE2 3.95Å; I105-F222 HydrophobicContact CB-CD2 4.45Å; I105-F222 HydrophobicContact CG2-CB 3.75Å; I105-F222 HydrophobicContact CG2-CD2 4.31Å; I105-F222 HydrophobicContact CG2-CG 4.49Å; T109-F222 HydrophobicContact CG2-CB 4.29Å; T109-F222 HydrophobicContact CG2-CD1 3.82Å; T109-F222 HydrophobicContact CG2-CG 4.24Å; T109-F222 VanDerWaalsContact OG1-CB 3.23Å; T109-F222 WeakPolarHBondContact OG1-CB 3.4Å; R218-F222 PolarHBondContact O-N 3.35Å; S219-F222 WeakPolarHBondContact O-CB 3.32Å; S219-F222 PolarHBondContact O-N 3.47Å; F220-F222 VanDerWaalsContact C-N 3.28Å; F220-F222 PolarHBondContact O-N 3.21Å; F222-D224 VanDerWaalsContact C-N 3.35Å; F222-D224 PolarHBondContact O-N 3.01Å; F222-R225 PolarHBondContact O-N 2.96Å; F222-T226 WeakPolarHBondContact CZ-OG1 3.22Å; F222-T226 WeakPolarHBondContact O-CB 3.22Å; F222-T226 PolarHBondContact O-N 2.92Å; F222-T226 PolarHBondContact O-OG1 3.23Å; F222-T226 VanDerWaalsContact O-OG1 3.08Å
223	V	93	Very high	91.6	Very high	13 Å²	13	64 Å²	64	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-48.1	-179.1	170.5	0	0	0	0	110.5	S219 F220 R225 T226 E227 F236 M240	S219-V223 VanDerWaalsContact O-CG2 3.24Å; S219-V223 WeakPolarHBondContact O-CG2 3.33Å; S219-V223 PolarHBondContact O-N 3.14Å; F220-V223 PolarHBondContact O-N 3.41Å; V223-R225 VanDerWaalsContact C-N 3.31Å; V223-R225 PolarHBondContact O-N 3.07Å; V223-T226 PolarHBondContact O-N 2.97Å; V223-E227 VanDerWaalsContact O-CB 3.3Å; V223-E227 WeakPolarHBondContact O-CB 3.44Å; V223-E227 PolarHBondContact O-N 2.99Å; V223-F236 HydrophobicContact CG1-CE1 4.05Å; V223-M240 HydrophobicContact CG1-CG 4.38Å; V223-M240 HydrophobicContact CG2-CE 3.54Å; V223-M240 HydrophobicContact CG2-CG 4.19Å; V223-M240 HydrophobicContact CG2-SD 3.87Å
224	D	92.2	Very high	91.4	Very high	102 Å²	102	64.5 Å²	64.5	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-40.2	179.1	-66.3	-18.1	0	0	0	112	F220 F222 T228	F220-D224 PolarHBondContact O-N 3.4Å; F222-D224 VanDerWaalsContact C-N 3.35Å; F222-D224 PolarHBondContact O-N 3.01Å; D224-T228 WeakPolarHBondContact O-CG2 3.42Å; D224-T228 PolarHBondContact O-N 3.02Å; D224-T228 PolarHBondContact O-OG1 3.01Å; D224-T228 VanDerWaalsContact O-OG1 3.08Å
225	R	92	Very high	91.2	Very high	57 Å²	57	65.7 Å²	65.7	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-72	-38.4	178	-72.4	170.6	-179.1	-109	-3.5	112.6	S96 Y101 Y102 E221 F222 V223 E227 T228 R229	S96-R225 PolarHBondContact O-NH1 2.87Å; Y101-R225 VanDerWaalsContact CD1-NH1 3.3Å; Y101-R225 VanDerWaalsContact CE1-CZ 3.44Å; Y101-R225 VanDerWaalsContact CE1-NH2 3.31Å; Y102-R225 HydrophobicContact CD2-CB 4.15Å; Y102-R225 HydrophobicContact CE2-CB 4.31Å; E221-R225 WeakPolarHBondContact O-CB 3.41Å; E221-R225 WeakPolarHBondContact O-CD 3.45Å; E221-R225 VanDerWaalsContact O-CG 3.23Å; E221-R225 WeakPolarHBondContact O-CG 3.3Å; E221-R225 PolarHBondContact O-N 3.44Å; E221-R225 IonicContact OE1-CZ 3.82Å; E221-R225 VanDerWaalsContact OE1-CZ 3.31Å; E221-R225 IonicContact OE1-NE 2.73Å; E221-R225 PolarHBondContact OE1-NE 3.15Å; E221-R225 IonicContact OE1-NH2 2.86Å; E221-R225 PolarHBondContact OE1-NH2 3.29Å; F222-R225 PolarHBondContact O-N 2.96Å; V223-R225 VanDerWaalsContact C-N 3.31Å; V223-R225 PolarHBondContact O-N 3.07Å; R225-E227 VanDerWaalsContact C-N 3.34Å; R225-T228 PolarHBondContact O-OG1 3.24Å; R225-R229 WeakPolarHBondContact O-CB 3.47Å; R225-R229 WeakPolarHBondContact O-CG 3.28Å; R225-R229 PolarHBondContact O-N 3.01Å; R225-R229 VanDerWaalsContact O-N 3.13Å
226	T	93.4	Very high	91.2	Very high	17 Å²	17	67.6 Å²	67.6	10%	0.104	33%	0.331	C	S	.	.	H	α-helix	trans	-70.3	-36.7	177.2	-60.2	0	0	0	0	110.5	Y102 F222 V223 T228 R229 T230 F236	Y102-T226 WeakPolarHBondContact CE2-OG1 3.37Å; Y102-T226 PolarHBondContact OH-OG1 3.42Å; F222-T226 WeakPolarHBondContact CZ-OG1 3.22Å; F222-T226 WeakPolarHBondContact O-CB 3.22Å; F222-T226 PolarHBondContact O-N 2.92Å; F222-T226 PolarHBondContact O-OG1 3.23Å; F222-T226 VanDerWaalsContact O-OG1 3.08Å; V223-T226 PolarHBondContact O-N 2.97Å; T226-T228 PolarHBondContact O-N 2.96Å; T226-R229 PolarHBondContact O-N 3.26Å; T226-T230 WeakPolarHBondContact O-CB 3.49Å; T226-T230 WeakPolarHBondContact O-CG2 3.24Å; T226-T230 PolarHBondContact O-N 3.42Å; T226-F236 HydrophobicContact CG2-CD1 4.45Å; T226-F236 HydrophobicContact CG2-CD2 3.92Å; T226-F236 HydrophobicContact CG2-CE1 3.98Å; T226-F236 HydrophobicContact CG2-CE2 3.4Å; T226-F236 VanDerWaalsContact CG2-CE2 3.4Å; T226-F236 HydrophobicContact CG2-CG 4.42Å; T226-F236 HydrophobicContact CG2-CZ 3.43Å; T226-F236 VanDerWaalsContact CG2-CZ 3.43Å
227	E	91.2	Very high	91.1	Very high	48 Å²	48	67.8 Å²	67.8	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176	-170.8	179.3	144.9	0	0	112.3	V223 R225 T230 P233 F236 R237	V223-E227 VanDerWaalsContact O-CB 3.3Å; V223-E227 WeakPolarHBondContact O-CB 3.44Å; V223-E227 PolarHBondContact O-N 2.99Å; R225-E227 VanDerWaalsContact C-N 3.34Å; E227-T230 WeakPolarHBondContact O-CG2 3.5Å; E227-P233 HydrophobicContact CG-CB 4.12Å; E227-F236 HydrophobicContact CB-CD1 4.13Å; E227-F236 HydrophobicContact CB-CE1 4.26Å; E227-R237 VanDerWaalsContact CD-NE 3.3Å; E227-R237 IonicContact OE1-CZ 3.19Å; E227-R237 IonicContact OE1-NE 2.7Å; E227-R237 PolarHBondContact OE1-NE 3.01Å; E227-R237 IonicContact OE1-NH2 2.57Å; E227-R237 PolarHBondContact OE1-NH2 3.12Å; E227-R237 IonicContact OE2-NE 3.46Å
228	T	89.8	Confident	91	Very high	120 Å²	120	69.5 Å²	69.5	74%	0.736	34%	0.337	S	S	*	.	H	α-helix	trans	-74.4	-27	177.5	50.4	0	0	0	0	113.4	D224 R225 T226	D224-T228 WeakPolarHBondContact O-CG2 3.42Å; D224-T228 PolarHBondContact O-N 3.02Å; D224-T228 PolarHBondContact O-OG1 3.01Å; D224-T228 VanDerWaalsContact O-OG1 3.08Å; R225-T228 PolarHBondContact O-OG1 3.24Å; T226-T228 PolarHBondContact O-N 2.96Å
229	R	90.4	Very high	90.9	Very high	106 Å²	106	72.6 Å²	72.6	40%	0.4	36%	0.36	S	S	.	.	H	α-helix	trans	-85.9	-22.9	177.8	-74.8	-174	173.9	-154.2	-3.3	114.2	S97 R225 T226	S97-R229 PolarHBondContact O-NH2 3.02Å; R225-R229 WeakPolarHBondContact O-CB 3.47Å; R225-R229 WeakPolarHBondContact O-CG 3.28Å; R225-R229 PolarHBondContact O-N 3.01Å; R225-R229 VanDerWaalsContact O-N 3.13Å; T226-R229 PolarHBondContact O-N 3.26Å
230	T	89.7	Confident	90.9	Very high	50 Å²	50	73.8 Å²	73.8	31%	0.307	36%	0.364	S	S	.	.			trans	-78.5	135.1	-177.4	-174.2	0	0	0	0	111.5	T226 E227 R232 P233 F236	T226-T230 WeakPolarHBondContact O-CB 3.49Å; T226-T230 WeakPolarHBondContact O-CG2 3.24Å; T226-T230 PolarHBondContact O-N 3.42Å; E227-T230 WeakPolarHBondContact O-CG2 3.5Å; T230-R232 PolarHBondContact O-N 3.38Å; T230-R232 PolarHBondContact OG1-N 3.33Å; T230-P233 HydrophobicContact CG2-CB 4.31Å; T230-F236 HydrophobicContact CG2-CB 4.01Å; T230-F236 HydrophobicContact CG2-CG 4.47Å
231	N	89.2	Confident	90.9	Very high	162 Å²	162	70 Å²	70	87%	0.866	35%	0.349	S	S	*	.	S	Bend	trans	-69.6	-7	171.9	-68	-21.1	0	0	0	112.8
232	R	87.4	Confident	90.8	Very high	177 Å²	177	71.4 Å²	71.4	67%	0.668	36%	0.36	S	S	*	.			trans	-132.9	71.9	-180	-66.4	-168.3	171.2	91.6	0.4	110.9	T230 N234 L235 F236	T230-R232 PolarHBondContact O-N 3.38Å; T230-R232 PolarHBondContact OG1-N 3.33Å; R232-N234 VanDerWaalsContact C-N 3.35Å; R232-N234 PolarHBondContact O-N 2.9Å; R232-L235 HydrophobicContact CB-CB 4.19Å; R232-L235 PolarHBondContact O-N 2.86Å; R232-F236 PolarHBondContact O-N 3.37Å
233	P	90.1	Very high	90.7	Very high	47 Å²	47	71.6 Å²	71.6	31%	0.305	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-41.4	-175.5	22.8	-33.4	0	0	0	112.4	E227 T230 L235 F236 R237	E227-P233 HydrophobicContact CG-CB 4.12Å; T230-P233 HydrophobicContact CG2-CB 4.31Å; P233-L235 PolarHBondContact O-N 3.24Å; P233-F236 PolarHBondContact O-N 2.73Å; P233-R237 WeakPolarHBondContact O-CG 3.46Å; P233-R237 PolarHBondContact O-N 3.13Å
234	N	87.2	Confident	90.7	Very high	37 Å²	37	75 Å²	75	20%	0.198	38%	0.377	C	S	.	.	H	α-helix	trans	-61.7	-44.5	-179.7	-65.1	-36.1	0	0	0	112.3	R232 F236 R237 I238 M348 M352	R232-N234 VanDerWaalsContact C-N 3.35Å; R232-N234 PolarHBondContact O-N 2.9Å; N234-F236 VanDerWaalsContact C-N 3.31Å; N234-F236 PolarHBondContact O-N 3.05Å; N234-R237 PolarHBondContact O-N 3.28Å; N234-I238 WeakPolarHBondContact O-CG1 3.47Å; N234-I238 PolarHBondContact O-N 3.47Å; N234-M348 HydrophobicContact CB-CG 4.11Å; N234-M348 HydrophobicContact CB-SD 4.15Å; N234-M352 HydrophobicContact CB-CG 3.72Å; N234-M352 HydrophobicContact CB-SD 3.89Å; N234-M352 WeakPolarHBondContact ND2-CG 3.19Å
235	L	88.3	Confident	90.7	Very high	115 Å²	115	72.4 Å²	72.4	60%	0.602	36%	0.362	S	S	*	.	H	α-helix	trans	-61.3	-41.3	177.4	-179.9	62.9	0	0	0	111.8	R232 P233 I238 S239	R232-L235 HydrophobicContact CB-CB 4.19Å; R232-L235 PolarHBondContact O-N 2.86Å; P233-L235 PolarHBondContact O-N 3.24Å; L235-I238 PolarHBondContact O-N 3.27Å; L235-S239 PolarHBondContact O-N 3.18Å
236	F	92.3	Very high	90.8	Very high	42 Å²	42	74 Å²	74	18%	0.184	38%	0.375	C	S	.	.	H	α-helix	trans	-63.8	-43.5	176.5	179.9	-106.1	0	0	0	111.8	V223 T226 E227 T230 R232 P233 N234 I238 S239 M240	V223-F236 HydrophobicContact CG1-CE1 4.05Å; T226-F236 HydrophobicContact CG2-CD1 4.45Å; T226-F236 HydrophobicContact CG2-CD2 3.92Å; T226-F236 HydrophobicContact CG2-CE1 3.98Å; T226-F236 HydrophobicContact CG2-CE2 3.4Å; T226-F236 VanDerWaalsContact CG2-CE2 3.4Å; T226-F236 HydrophobicContact CG2-CG 4.42Å; T226-F236 HydrophobicContact CG2-CZ 3.43Å; T226-F236 VanDerWaalsContact CG2-CZ 3.43Å; E227-F236 HydrophobicContact CB-CD1 4.13Å; E227-F236 HydrophobicContact CB-CE1 4.26Å; T230-F236 HydrophobicContact CG2-CB 4.01Å; T230-F236 HydrophobicContact CG2-CG 4.47Å; R232-F236 PolarHBondContact O-N 3.37Å; P233-F236 PolarHBondContact O-N 2.73Å; N234-F236 VanDerWaalsContact C-N 3.31Å; N234-F236 PolarHBondContact O-N 3.05Å; F236-I238 PolarHBondContact O-N 2.85Å; F236-S239 PolarHBondContact O-N 3.38Å; F236-M240 PolarHBondContact O-N 3.39Å
237	R	90.6	Very high	90.9	Very high	92 Å²	92	74.5 Å²	74.5	35%	0.347	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-43	175.4	-68.9	178.2	-172.5	173.9	3.6	112.3	E227 P233 N234 M240 L241 M348	E227-R237 VanDerWaalsContact CD-NE 3.3Å; E227-R237 IonicContact OE1-CZ 3.19Å; E227-R237 IonicContact OE1-NE 2.7Å; E227-R237 PolarHBondContact OE1-NE 3.01Å; E227-R237 IonicContact OE1-NH2 2.57Å; E227-R237 PolarHBondContact OE1-NH2 3.12Å; E227-R237 IonicContact OE2-NE 3.46Å; P233-R237 WeakPolarHBondContact O-CG 3.46Å; P233-R237 PolarHBondContact O-N 3.13Å; N234-R237 PolarHBondContact O-N 3.28Å; R237-M240 PolarHBondContact O-N 3.45Å; R237-L241 WeakPolarHBondContact O-CB 3.46Å; R237-L241 PolarHBondContact O-N 3.04Å; R237-M348 HydrophobicContact CB-CE 3.36Å; R237-M348 HydrophobicContact CB-SD 3.88Å
238	I	90.1	Very high	91	Very high	71 Å²	71	76 Å²	76	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-49.7	174.6	-60	-178.3	0	0	0	109.9	N234 L235 F236 M240 L241 T242 M348	N234-I238 WeakPolarHBondContact O-CG1 3.47Å; N234-I238 PolarHBondContact O-N 3.47Å; L235-I238 PolarHBondContact O-N 3.27Å; F236-I238 PolarHBondContact O-N 2.85Å; I238-M240 VanDerWaalsContact C-N 3.27Å; I238-M240 PolarHBondContact O-N 3.5Å; I238-L241 PolarHBondContact O-N 3.45Å; I238-T242 PolarHBondContact O-N 3.26Å; I238-T242 PolarHBondContact O-OG1 3.13Å; I238-T242 VanDerWaalsContact O-OG1 3.06Å; I238-M348 HydrophobicContact CB-SD 4.36Å; I238-M348 HydrophobicContact CD1-SD 3.92Å; I238-M348 HydrophobicContact CG1-CE 3.92Å; I238-M348 HydrophobicContact CG1-SD 3.17Å; I238-M348 WeakPolarHBondContact CG1-SD 3.45Å
239	S	91	Very high	91.3	Very high	70 Å²	70	71 Å²	71	49%	0.49	36%	0.355	S	S	.	.	H	α-helix	trans	-59.7	-39.2	-179	-172.1	0	0	0	0	112.1	L235 F236 T243	L235-S239 PolarHBondContact O-N 3.18Å; F236-S239 PolarHBondContact O-N 3.38Å; S239-T243 PolarHBondContact O-N 3.36Å; S239-T243 VanDerWaalsContact O-N 3.1Å; S239-T243 PolarHBondContact O-OG1 3.47Å; S239-T243 VanDerWaalsContact O-OG1 3.05Å
240	M	91.9	Very high	91.5	Very high	37 Å²	37	66.3 Å²	66.3	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-70.1	-43.7	178.2	-163.7	67.6	-168.2	0	0	111.6	V223 F236 R237 I238 T242 T243 Y244	V223-M240 HydrophobicContact CG1-CG 4.38Å; V223-M240 HydrophobicContact CG2-CE 3.54Å; V223-M240 HydrophobicContact CG2-CG 4.19Å; V223-M240 HydrophobicContact CG2-SD 3.87Å; F236-M240 PolarHBondContact O-N 3.39Å; R237-M240 PolarHBondContact O-N 3.45Å; I238-M240 VanDerWaalsContact C-N 3.27Å; I238-M240 PolarHBondContact O-N 3.5Å; M240-T242 VanDerWaalsContact C-N 3.31Å; M240-T242 PolarHBondContact O-N 3.02Å; M240-T243 WeakPolarHBondContact O-CB 3.39Å; M240-T243 PolarHBondContact O-N 2.84Å; M240-T243 VanDerWaalsContact O-N 3.12Å; M240-Y244 HydrophobicContact CE-CD1 4.03Å; M240-Y244 HydrophobicContact CE-CE1 3.16Å; M240-Y244 HydrophobicContact CE-CE2 4.44Å; M240-Y244 VanDerWaalsContact CE-CZ 3.41Å; M240-Y244 WeakPolarHBondContact CE-OH 3.26Å; M240-Y244 HydrophobicContact CG-CD2 4.29Å; M240-Y244 HydrophobicContact CG-CE1 4.07Å; M240-Y244 HydrophobicContact CG-CE2 3.63Å; M240-Y244 WeakPolarHBondContact O-CD2 3.43Å; M240-Y244 PolarHBondContact O-N 3.4Å; M240-Y244 HydrophobicContact SD-CE1 4.36Å
241	L	92.1	Very high	91.8	Very high	26 Å²	26	67.8 Å²	67.8	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-44.3	175.9	-177.5	63.8	0	0	0	111.2	R237 I238 T243 Y244 I245 V341 N344 V345	R237-L241 WeakPolarHBondContact O-CB 3.46Å; R237-L241 PolarHBondContact O-N 3.04Å; I238-L241 PolarHBondContact O-N 3.45Å; L241-T243 VanDerWaalsContact C-N 3.35Å; L241-T243 PolarHBondContact O-N 3.08Å; L241-Y244 PolarHBondContact O-N 3.43Å; L241-I245 HydrophobicContact CG-CD1 4.16Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 3.48Å; L241-V341 HydrophobicContact CD1-CG2 4.48Å; L241-V341 HydrophobicContact CD2-CG1 4.45Å; L241-N344 HydrophobicContact CD2-CB 4.08Å; L241-V345 HydrophobicContact CD2-CG2 3.72Å
242	T	91.6	Very high	92.1	Very high	69 Å²	69	60.6 Å²	60.6	42%	0.423	30%	0.3	S	S	.	.	H	α-helix	trans	-59.5	-44	174.3	-57.9	0	0	0	0	111.7	I238 M240 Y244 I245 L246	I238-T242 PolarHBondContact O-N 3.26Å; I238-T242 PolarHBondContact O-OG1 3.13Å; I238-T242 VanDerWaalsContact O-OG1 3.06Å; M240-T242 VanDerWaalsContact C-N 3.31Å; M240-T242 PolarHBondContact O-N 3.02Å; T242-Y244 PolarHBondContact O-N 3.44Å; T242-I245 PolarHBondContact O-N 3.28Å; T242-L246 HydrophobicContact CG2-CD1 4.22Å; T242-L246 WeakPolarHBondContact O-CG 3.46Å; T242-L246 PolarHBondContact O-N 2.76Å
243	T	92	Very high	92.5	Very high	46 Å²	46	52.2 Å²	52.2	28%	0.282	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-42.9	175.8	-60.1	0	0	0	0	111.8	L113 S239 M240 L241 I245 L246 V247	L113-T243 HydrophobicContact CD1-CG2 4.46Å; S239-T243 PolarHBondContact O-N 3.36Å; S239-T243 VanDerWaalsContact O-N 3.1Å; S239-T243 PolarHBondContact O-OG1 3.47Å; S239-T243 VanDerWaalsContact O-OG1 3.05Å; M240-T243 WeakPolarHBondContact O-CB 3.39Å; M240-T243 PolarHBondContact O-N 2.84Å; M240-T243 VanDerWaalsContact O-N 3.12Å; L241-T243 VanDerWaalsContact C-N 3.35Å; L241-T243 PolarHBondContact O-N 3.08Å; T243-I245 PolarHBondContact O-N 2.9Å; T243-L246 PolarHBondContact O-N 3.07Å; T243-V247 WeakPolarHBondContact O-CG2 3.2Å; T243-V247 PolarHBondContact O-N 2.91Å
244	Y	92.2	Very high	92.8	Very high	84 Å²	84	50.2 Å²	50.2	33%	0.329	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-44.1	175.6	-64.2	-33.8	0	0	0	112	M240 L241 T242 V247 L248	M240-Y244 HydrophobicContact CE-CD1 4.03Å; M240-Y244 HydrophobicContact CE-CE1 3.16Å; M240-Y244 HydrophobicContact CE-CE2 4.44Å; M240-Y244 VanDerWaalsContact CE-CZ 3.41Å; M240-Y244 WeakPolarHBondContact CE-OH 3.26Å; M240-Y244 HydrophobicContact CG-CD2 4.29Å; M240-Y244 HydrophobicContact CG-CE1 4.07Å; M240-Y244 HydrophobicContact CG-CE2 3.63Å; M240-Y244 WeakPolarHBondContact O-CD2 3.43Å; M240-Y244 PolarHBondContact O-N 3.4Å; M240-Y244 HydrophobicContact SD-CE1 4.36Å; L241-Y244 PolarHBondContact O-N 3.43Å; T242-Y244 PolarHBondContact O-N 3.44Å; Y244-V247 PolarHBondContact O-N 2.83Å; Y244-L248 VanDerWaalsContact O-CG 3.3Å; Y244-L248 WeakPolarHBondContact O-CG 3.33Å; Y244-L248 PolarHBondContact O-N 3.19Å
245	I	92.9	Very high	93.1	Very high	47 Å²	47	52.7 Å²	52.7	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-46	177	-65.9	162.8	0	0	0	110.7	L241 T242 T243 V247 L248 I249 V341	L241-I245 HydrophobicContact CG-CD1 4.16Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 3.48Å; T242-I245 PolarHBondContact O-N 3.28Å; T243-I245 PolarHBondContact O-N 2.9Å; I245-V247 VanDerWaalsContact C-N 3.34Å; I245-V247 PolarHBondContact O-N 3.31Å; I245-L248 PolarHBondContact O-N 2.88Å; I245-I249 HydrophobicContact CG2-CD1 3.71Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.33Å; I245-I249 PolarHBondContact O-N 2.83Å; I245-V341 HydrophobicContact CD1-CB 4.27Å; I245-V341 HydrophobicContact CD1-CG1 3.6Å; I245-V341 HydrophobicContact CD1-CG2 3.58Å; I245-V341 HydrophobicContact CG1-CG2 3.73Å
246	L	94.1	Very high	93.4	Very high	91 Å²	91	47.2 Å²	47.2	48%	0.476	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-41	178.8	-71	172.6	0	0	0	112.2	T242 T243 H250 F302	T242-L246 HydrophobicContact CG2-CD1 4.22Å; T242-L246 WeakPolarHBondContact O-CG 3.46Å; T242-L246 PolarHBondContact O-N 2.76Å; T243-L246 PolarHBondContact O-N 3.07Å; L246-H250 VanDerWaalsContact O-CB 3.26Å; L246-H250 WeakPolarHBondContact O-CB 3.12Å; L246-H250 PolarHBondContact O-N 3.46Å; L246-F302 HydrophobicContact CD2-CZ 4.4Å
247	V	94.2	Very high	93.5	Very high	28 Å²	28	45.5 Å²	45.5	17%	0.17	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-41	175.3	173.7	0	0	0	0	110.8	L113 T243 Y244 I245 H250 W251	L113-V247 HydrophobicContact CD1-CG2 4.11Å; T243-V247 WeakPolarHBondContact O-CG2 3.2Å; T243-V247 PolarHBondContact O-N 2.91Å; Y244-V247 PolarHBondContact O-N 2.83Å; I245-V247 VanDerWaalsContact C-N 3.34Å; I245-V247 PolarHBondContact O-N 3.31Å; V247-H250 WeakPolarHBondContact O-CB 3.48Å; V247-H250 PolarHBondContact O-N 2.84Å; V247-W251 PolarHBondContact O-N 3.36Å
248	L	94.1	Very high	93.6	Very high	78 Å²	78	42.4 Å²	42.4	41%	0.408	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-45.6	176.7	-72.2	170.4	0	0	0	112.4	Y244 I245 H250 W251 N252 I337	Y244-L248 VanDerWaalsContact O-CG 3.3Å; Y244-L248 WeakPolarHBondContact O-CG 3.33Å; Y244-L248 PolarHBondContact O-N 3.19Å; I245-L248 PolarHBondContact O-N 2.88Å; L248-H250 VanDerWaalsContact C-N 3.27Å; L248-H250 PolarHBondContact O-N 3.29Å; L248-W251 PolarHBondContact O-N 2.98Å; L248-N252 PolarHBondContact O-N 3.46Å; L248-I337 HydrophobicContact CD1-CD1 4.27Å; L248-I337 HydrophobicContact CD1-CG2 4.24Å
249	I	95.3	Very high	93.8	Very high	16 Å²	16	41.1 Å²	41.1	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-42.1	175.2	-65.5	168.3	0	0	0	110.2	I245 N252 A253 F302 S305 T306 L309	I245-I249 HydrophobicContact CG2-CD1 3.71Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.33Å; I245-I249 PolarHBondContact O-N 2.83Å; I249-N252 PolarHBondContact O-N 3.39Å; I249-A253 VanDerWaalsContact O-CB 3.31Å; I249-A253 WeakPolarHBondContact O-CB 3.08Å; I249-A253 PolarHBondContact O-N 3.44Å; I249-F302 HydrophobicContact CB-CE2 4.16Å; I249-F302 HydrophobicContact CB-CZ 4.21Å; I249-F302 HydrophobicContact CG2-CD1 4.22Å; I249-F302 HydrophobicContact CG2-CD2 3.87Å; I249-F302 HydrophobicContact CG2-CE1 3.88Å; I249-F302 HydrophobicContact CG2-CE2 3.51Å; I249-F302 HydrophobicContact CG2-CG 4.21Å; I249-F302 HydrophobicContact CG2-CZ 3.52Å; I249-S305 PolarHBondContact O-OG 2.96Å; I249-T306 WeakPolarHBondContact CG2-OG1 3.36Å; I249-L309 HydrophobicContact CB-CD1 4.37Å; I249-L309 HydrophobicContact CG1-CD1 3.85Å
250	H	96.1	Very high	93.8	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.032	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-45.8	175.8	172.3	79	0	0	0	112.5	I117 L246 V247 L248 A253 C254 Y298	I117-H250 PolarHBondContact O-NE2 2.85Å; L246-H250 VanDerWaalsContact O-CB 3.26Å; L246-H250 WeakPolarHBondContact O-CB 3.12Å; L246-H250 PolarHBondContact O-N 3.46Å; V247-H250 WeakPolarHBondContact O-CB 3.48Å; V247-H250 PolarHBondContact O-N 2.84Å; L248-H250 VanDerWaalsContact C-N 3.27Å; L248-H250 PolarHBondContact O-N 3.29Å; H250-A253 WeakPolarHBondContact O-CB 3.43Å; H250-A253 PolarHBondContact O-N 3.04Å; H250-C254 PolarHBondContact O-N 2.83Å; H250-C254 PolarHBondContact O-SG 3.05Å; H250-Y298 AromaticContact CE1-CE2 3.86Å; H250-Y298 AromaticContact ND1-CE2 3.53Å; H250-Y298 AromaticContact ND1-CZ 3.75Å; H250-Y298 PolarHBondContact ND1-OH 3.15Å
251	W	95.8	Very high	93.8	Very high	81 Å²	81	41.4 Å²	41.4	31%	0.307	21%	0.208	S	C	.	.	H	α-helix	trans	-61.8	-46.7	176.8	-84.6	51	0	0	0	111.3	A116 P120 F210 L213 V247 L248 A253 C254 I255	A116-W251 PolarHBondContact O-NE1 2.85Å; P120-W251 HydrophobicContact CG-CD2 4.08Å; P120-W251 HydrophobicContact CG-CG 4.33Å; P120-W251 HydrophobicContact CG-CZ2 3.96Å; F210-W251 HydrophobicContact CE1-CH2 4.37Å; L213-W251 HydrophobicContact CD1-CH2 3.5Å; L213-W251 HydrophobicContact CD1-CZ2 3.63Å; V247-W251 PolarHBondContact O-N 3.36Å; L248-W251 PolarHBondContact O-N 2.98Å; W251-A253 VanDerWaalsContact C-N 3.31Å; W251-A253 PolarHBondContact O-N 3.49Å; W251-C254 WeakPolarHBondContact O-CB 3.34Å; W251-C254 PolarHBondContact O-N 2.94Å; W251-C254 VanDerWaalsContact O-N 3.16Å; W251-I255 VanDerWaalsContact O-CG1 3.28Å; W251-I255 WeakPolarHBondContact O-CG1 2.89Å; W251-I255 PolarHBondContact O-N 3Å
252	N	95.2	Very high	93.7	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.064	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-35.9	178.5	-170.7	42.7	0	0	0	112.1	L248 I249 C254 I255 Y256 S305 L309 D330	L248-N252 PolarHBondContact O-N 3.46Å; I249-N252 PolarHBondContact O-N 3.39Å; N252-C254 PolarHBondContact O-N 2.82Å; N252-I255 PolarHBondContact O-N 3.3Å; N252-Y256 WeakPolarHBondContact O-CB 3.43Å; N252-Y256 PolarHBondContact O-N 3.33Å; N252-S305 WeakPolarHBondContact CB-OG 3.45Å; N252-S305 PolarHBondContact ND2-OG 3.38Å; N252-L309 HydrophobicContact CB-CD1 3.93Å; N252-D330 PolarHBondContact ND2-OD1 3.05Å; N252-D330 PolarHBondContact ND2-OD2 2.94Å; N252-D330 PolarHBondContact OD1-OD1 2.84Å; N252-D330 VanDerWaalsContact OD1-OD1 3.06Å; N252-D330 PolarHBondContact OD1-OD2 3.41Å
253	A	95.9	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-42.1	172.1	0	0	0	0	0	112.4	I249 H250 W251 Y256 F257 S301 F302 S305	I249-A253 VanDerWaalsContact O-CB 3.31Å; I249-A253 WeakPolarHBondContact O-CB 3.08Å; I249-A253 PolarHBondContact O-N 3.44Å; H250-A253 WeakPolarHBondContact O-CB 3.43Å; H250-A253 PolarHBondContact O-N 3.04Å; W251-A253 VanDerWaalsContact C-N 3.31Å; W251-A253 PolarHBondContact O-N 3.49Å; A253-Y256 PolarHBondContact O-N 3.06Å; A253-F257 PolarHBondContact O-N 3.43Å; A253-S301 WeakPolarHBondContact CB-O 3.27Å; A253-F302 HydrophobicContact CB-CB 4.36Å; A253-S305 PolarHBondContact N-OG 3.5Å
254	C	95	Very high	93.4	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-38.6	175.6	-64.4	0	0	0	0	111.7	P120 A124 H250 W251 N252 G258	P120-C254 HydrophobicContact CB-CB 3.94Å; A124-C254 HydrophobicContact CB-CB 3.9Å; A124-C254 VanDerWaalsContact CB-O 3.25Å; A124-C254 WeakPolarHBondContact CB-O 3.36Å; H250-C254 PolarHBondContact O-N 2.83Å; H250-C254 PolarHBondContact O-SG 3.05Å; W251-C254 WeakPolarHBondContact O-CB 3.34Å; W251-C254 PolarHBondContact O-N 2.94Å; W251-C254 VanDerWaalsContact O-N 3.16Å; N252-C254 PolarHBondContact O-N 2.82Å; C254-G258 PolarHBondContact O-N 3.1Å
255	I	94.5	Very high	93.1	Very high	89 Å²	89	40.1 Å²	40.1	46%	0.456	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-47.1	176.1	-68.1	165.7	0	0	0	110.4	W251 N252 F257 G258 F259 F326	W251-I255 VanDerWaalsContact O-CG1 3.28Å; W251-I255 WeakPolarHBondContact O-CG1 2.89Å; W251-I255 PolarHBondContact O-N 3Å; N252-I255 PolarHBondContact O-N 3.3Å; I255-F257 PolarHBondContact O-N 3.32Å; I255-G258 PolarHBondContact O-N 2.94Å; I255-F259 VanDerWaalsContact O-CB 3.28Å; I255-F259 WeakPolarHBondContact O-CB 3.43Å; I255-F259 PolarHBondContact O-N 3.13Å; I255-F326 HydrophobicContact CG2-CE2 3.67Å; I255-F326 HydrophobicContact CG2-CZ 3.96Å
256	Y	94.8	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-46.8	177	169	-104	0	0	0	112.4	N252 A253 F259 S260 F270 Y300 W304 F326	N252-Y256 WeakPolarHBondContact O-CB 3.43Å; N252-Y256 PolarHBondContact O-N 3.33Å; A253-Y256 PolarHBondContact O-N 3.06Å; Y256-F259 PolarHBondContact O-N 3.28Å; Y256-S260 WeakPolarHBondContact O-CB 3.44Å; Y256-S260 PolarHBondContact O-N 3.27Å; Y256-S260 PolarHBondContact O-OG 3.3Å; Y256-F270 HydrophobicContact CE2-CE1 4.18Å; Y256-F270 HydrophobicContact CE2-CZ 4.2Å; Y256-F270 PolarHBondContact OH-O 3.03Å; Y256-Y300 HydrophobicContact CE1-CD1 4.24Å; Y256-Y300 AromaticContact CE1-CE1 3.94Å; Y256-Y300 HydrophobicContact CE1-CE1 3.94Å; Y256-W304 HydrophobicContact CD1-CB 4.39Å; Y256-W304 HydrophobicContact CD1-CD2 4.16Å; Y256-W304 HydrophobicContact CD1-CE3 4.1Å; Y256-W304 HydrophobicContact CD1-CG 4.28Å; Y256-W304 AromaticContact CD2-CD2 3.54Å; Y256-W304 HydrophobicContact CD2-CD2 3.54Å; Y256-W304 AromaticContact CD2-CE2 3.66Å; Y256-W304 AromaticContact CD2-CE3 3.49Å; Y256-W304 HydrophobicContact CD2-CE3 3.49Å; Y256-W304 VanDerWaalsContact CD2-CE3 3.49Å; Y256-W304 HydrophobicContact CD2-CG 4.28Å; Y256-W304 AromaticContact CD2-CH2 3.81Å; Y256-W304 HydrophobicContact CD2-CH2 3.81Å; Y256-W304 AromaticContact CD2-CZ2 3.82Å; Y256-W304 HydrophobicContact CD2-CZ2 3.82Å; Y256-W304 AromaticContact CD2-CZ3 3.64Å; Y256-W304 HydrophobicContact CD2-CZ3 3.64Å; Y256-W304 HydrophobicContact CE1-CB 4.22Å; Y256-W304 HydrophobicContact CE1-CD2 4.27Å; Y256-W304 HydrophobicContact CE1-CG 4.05Å; Y256-W304 AromaticContact CE2-CD2 3.68Å; Y256-W304 HydrophobicContact CE2-CD2 3.68Å; Y256-W304 AromaticContact CE2-CE2 3.56Å; Y256-W304 HydrophobicContact CE2-CE3 4.14Å; Y256-W304 HydrophobicContact CE2-CG 4.07Å; Y256-W304 HydrophobicContact CE2-CH2 4.44Å; Y256-W304 AromaticContact CE2-CZ2 3.98Å; Y256-W304 HydrophobicContact CE2-CZ2 3.98Å; Y256-W304 AromaticContact CE2-NE1 3.76Å; Y256-W304 AromaticContact CG-CD2 3.79Å; Y256-W304 HydrophobicContact CG-CD2 3.79Å; Y256-W304 AromaticContact CG-CE3 3.46Å; Y256-W304 HydrophobicContact CG-CE3 3.46Å; Y256-W304 VanDerWaalsContact CG-CE3 3.46Å; Y256-W304 HydrophobicContact CG-CG 4.39Å; Y256-W304 HydrophobicContact CG-CH2 4.49Å; Y256-W304 AromaticContact CG-CZ3 3.86Å; Y256-W304 HydrophobicContact CG-CZ3 3.86Å; Y256-W304 AromaticContact CZ-CD1 3.95Å; Y256-W304 AromaticContact CZ-CG 3.94Å; Y256-F326 HydrophobicContact CD2-CE1 4.31Å
257	F	94.3	Very high	92.3	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-42.1	177.7	-171.1	-98.2	0	0	0	111.9	A124 F125 A253 I255 F259 S260 R261 Y272 Q297	A124-F257 HydrophobicContact CB-CD1 4.23Å; A124-F257 WeakPolarHBondContact O-CD1 3.4Å; A124-F257 WeakPolarHBondContact O-CE1 3.31Å; F125-F257 AromaticContact CD1-CD1 3.55Å; F125-F257 HydrophobicContact CD1-CD1 3.55Å; F125-F257 HydrophobicContact CD1-CD2 4.36Å; F125-F257 AromaticContact CD1-CE1 3.55Å; F125-F257 HydrophobicContact CD1-CE1 3.55Å; F125-F257 HydrophobicContact CD1-CE2 4.36Å; F125-F257 AromaticContact CD1-CG 3.98Å; F125-F257 HydrophobicContact CD1-CG 3.98Å; F125-F257 AromaticContact CD1-CZ 3.98Å; F125-F257 HydrophobicContact CD1-CZ 3.98Å; F125-F257 HydrophobicContact CE1-CB 3.95Å; F125-F257 AromaticContact CE1-CD1 3.5Å; F125-F257 HydrophobicContact CE1-CD1 3.5Å; F125-F257 VanDerWaalsContact CE1-CD1 3.5Å; F125-F257 AromaticContact CE1-CD2 3.69Å; F125-F257 HydrophobicContact CE1-CD2 3.69Å; F125-F257 AromaticContact CE1-CE1 3.86Å; F125-F257 HydrophobicContact CE1-CE1 3.86Å; F125-F257 HydrophobicContact CE1-CE2 4.05Å; F125-F257 AromaticContact CE1-CG 3.4Å; F125-F257 HydrophobicContact CE1-CG 3.4Å; F125-F257 VanDerWaalsContact CE1-CG 3.4Å; F125-F257 HydrophobicContact CE1-CZ 4.12Å; F125-F257 HydrophobicContact CG-CD1 4.17Å; F125-F257 HydrophobicContact CG-CE1 4.3Å; F125-F257 HydrophobicContact CZ-CB 3.83Å; F125-F257 HydrophobicContact CZ-CD1 4.08Å; F125-F257 HydrophobicContact CZ-CD2 4.38Å; F125-F257 AromaticContact CZ-CG 3.83Å; F125-F257 HydrophobicContact CZ-CG 3.83Å; A253-F257 PolarHBondContact O-N 3.43Å; I255-F257 PolarHBondContact O-N 3.32Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 3.04Å; F257-S260 PolarHBondContact O-N 3.28Å; F257-R261 WeakPolarHBondContact O-CB 3.49Å; F257-R261 PolarHBondContact O-N 3.08Å; F257-Y272 HydrophobicContact CD2-CG 4.31Å; F257-Y272 AromaticContact CE2-CD1 3.88Å; F257-Y272 HydrophobicContact CE2-CD1 3.88Å; F257-Y272 HydrophobicContact CE2-CE1 4.28Å; F257-Y272 HydrophobicContact CE2-CG 4.08Å; F257-Q297 HydrophobicContact CD2-CB 4.32Å; F257-Q297 HydrophobicContact CE2-CB 3.71Å; F257-Q297 HydrophobicContact CE2-CG 3.82Å; F257-Q297 HydrophobicContact CZ-CB 4.11Å; F257-Q297 HydrophobicContact CZ-CG 4.04Å; F257-Q297 VanDerWaalsContact CZ-OE1 3.22Å
258	G	92.7	Very high	91.9	Very high	27 Å²	27	33.2 Å²	33.2	28%	0.278	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-41	174.7	0	0	0	0	0	112.6	C254 I255 R261 A262	C254-G258 PolarHBondContact O-N 3.1Å; I255-G258 PolarHBondContact O-N 2.94Å; G258-R261 PolarHBondContact O-N 3.48Å; G258-A262 WeakPolarHBondContact O-CB 3.26Å; G258-A262 PolarHBondContact O-N 2.93Å
259	F	93.4	Very high	91.5	Very high	44 Å²	44	29.7 Å²	29.7	19%	0.193	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-45.5	174.4	178.5	-88.8	0	0	0	111.8	I255 Y256 F257 R261 A262 S263 F270 A322 E323 F326	I255-F259 VanDerWaalsContact O-CB 3.28Å; I255-F259 WeakPolarHBondContact O-CB 3.43Å; I255-F259 PolarHBondContact O-N 3.13Å; Y256-F259 PolarHBondContact O-N 3.28Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 3.04Å; F259-R261 VanDerWaalsContact C-N 3.28Å; F259-R261 PolarHBondContact O-N 3.37Å; F259-A262 PolarHBondContact O-N 3.38Å; F259-S263 VanDerWaalsContact O-CB 3.23Å; F259-S263 WeakPolarHBondContact O-CB 3.35Å; F259-S263 PolarHBondContact O-N 2.87Å; F259-S263 PolarHBondContact O-OG 3.16Å; F259-F270 HydrophobicContact CD1-CE1 4.31Å; F259-F270 HydrophobicContact CE1-CD1 4.45Å; F259-F270 HydrophobicContact CE1-CE1 4.01Å; F259-A322 HydrophobicContact CZ-CB 4.37Å; F259-E323 HydrophobicContact CE1-CG 3.96Å; F259-E323 HydrophobicContact CZ-CG 4.08Å; F259-F326 HydrophobicContact CD1-CD1 4.31Å; F259-F326 HydrophobicContact CD2-CD2 4.12Å; F259-F326 HydrophobicContact CD2-CG 4.23Å; F259-F326 HydrophobicContact CE1-CD1 4.47Å; F259-F326 HydrophobicContact CE2-CB 4.1Å; F259-F326 HydrophobicContact CE2-CD2 4.46Å; F259-F326 HydrophobicContact CE2-CG 4.24Å; F259-F326 HydrophobicContact CG-CD1 4.47Å; F259-F326 HydrophobicContact CG-CD2 4.38Å; F259-F326 HydrophobicContact CG-CG 4.36Å; F259-F326 HydrophobicContact CZ-CB 4.14Å; F259-F326 HydrophobicContact CZ-CG 4.41Å
260	S	92.8	Very high	91.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-41.3	176	-64.8	0	0	0	0	111.5	Y256 F257 S263 G264 Y272	Y256-S260 WeakPolarHBondContact O-CB 3.44Å; Y256-S260 PolarHBondContact O-N 3.27Å; Y256-S260 PolarHBondContact O-OG 3.3Å; F257-S260 PolarHBondContact O-N 3.28Å; S260-S263 WeakPolarHBondContact O-CB 3.34Å; S260-S263 PolarHBondContact O-N 3.37Å; S260-G264 CarbonylContact O-C 3.33Å; S260-G264 PolarHBondContact O-N 3.17Å; S260-G264 VanDerWaalsContact O-N 3.16Å; S260-Y272 PolarHBondContact OG-N 3.39Å
261	R	90.3	Very high	90.9	Very high	113 Å²	113	28.6 Å²	28.6	43%	0.426	17%	0.166	S	C	.	.	H	α-helix	trans	-66.1	-45.7	175.7	-177.5	-173.1	179.9	145.1	3.5	112.6	T126 F257 G258 F259 S263 G264 L265	T126-R261 PolarHBondContact OG1-NH1 3.09Å; T126-R261 PolarHBondContact OG1-NH2 3.41Å; F257-R261 WeakPolarHBondContact O-CB 3.49Å; F257-R261 PolarHBondContact O-N 3.08Å; G258-R261 PolarHBondContact O-N 3.48Å; F259-R261 VanDerWaalsContact C-N 3.28Å; F259-R261 PolarHBondContact O-N 3.37Å; R261-S263 PolarHBondContact O-N 3.16Å; R261-G264 PolarHBondContact O-N 3.44Å; R261-L265 HydrophobicContact CB-CD2 4.42Å
262	A	90.3	Very high	90.7	Very high	91 Å²	91	24.7 Å²	24.7	75%	0.752	15%	0.151	S	C	*	.	H	α-helix	trans	-64.6	-32	179.5	0	0	0	0	0	112.2	G258 F259	G258-A262 WeakPolarHBondContact O-CB 3.26Å; G258-A262 PolarHBondContact O-N 2.93Å; F259-A262 PolarHBondContact O-N 3.38Å
263	S	89.7	Confident	90.4	Very high	29 Å²	29	24.3 Å²	24.3	20%	0.203	15%	0.149	C	C	.	.	H	α-helix	trans	-73	-23.1	174.8	-84.2	0	0	0	0	115	F259 S260 R261 R320	F259-S263 VanDerWaalsContact O-CB 3.23Å; F259-S263 WeakPolarHBondContact O-CB 3.35Å; F259-S263 PolarHBondContact O-N 2.87Å; F259-S263 PolarHBondContact O-OG 3.16Å; S260-S263 WeakPolarHBondContact O-CB 3.34Å; S260-S263 PolarHBondContact O-N 3.37Å; R261-S263 PolarHBondContact O-N 3.16Å; S263-R320 PolarHBondContact O-NH1 3.5Å; S263-R320 PolarHBondContact OG-NH2 3.06Å
264	G	87.6	Confident	89.9	Confident	31 Å²	31	26.1 Å²	26.1	32%	0.32	16%	0.161	S	C	.	.			trans	102.9	114.1	-168.3	0	0	0	0	0	111.2	S260 R261 S266 S267	S260-G264 CarbonylContact O-C 3.33Å; S260-G264 PolarHBondContact O-N 3.17Å; S260-G264 VanDerWaalsContact O-N 3.16Å; R261-G264 PolarHBondContact O-N 3.44Å; G264-S266 PolarHBondContact O-N 3.4Å; G264-S267 PolarHBondContact O-N 3.46Å; G264-S267 PolarHBondContact O-OG 3.31Å; G264-S267 VanDerWaalsContact O-OG 3.13Å
265	L	87	Confident	89.2	Confident	48 Å²	48	27.3 Å²	27.3	25%	0.251	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	135	177.2	-64.8	172.8	0	0	0	110.1	R261 S267 Y272 Y284	R261-L265 HydrophobicContact CB-CD2 4.42Å; L265-S267 VanDerWaalsContact C-N 3.26Å; L265-S267 PolarHBondContact O-N 3.44Å; L265-Y272 HydrophobicContact CD2-CD1 4.3Å; L265-Y284 WeakPolarHBondContact O-CE2 3.32Å
266	S	84.7	Confident	88.2	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.021	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	19.5	-178	-144.5	0	0	0	0	116.7	G264 Y272 R275 Y284 K285	G264-S266 PolarHBondContact O-N 3.4Å; S266-Y272 PolarHBondContact N-O 3.35Å; S266-R275 PolarHBondContact O-NH1 2.9Å; S266-Y284 WeakPolarHBondContact O-CA 3.26Å; S266-K285 WeakPolarHBondContact CB-O 3.48Å; S266-K285 PolarHBondContact OG-O 2.91Å
267	S	85.1	Confident	87	Confident	18 Å²	18	30.2 Å²	30.2	13%	0.126	19%	0.193	C	C	.	.	S	Bend	trans	-60.9	-44.8	173.7	56.1	0	0	0	0	112.6	G264 L265 V271 D282 E283	G264-S267 PolarHBondContact O-N 3.46Å; G264-S267 PolarHBondContact O-OG 3.31Å; G264-S267 VanDerWaalsContact O-OG 3.13Å; L265-S267 VanDerWaalsContact C-N 3.26Å; L265-S267 PolarHBondContact O-N 3.44Å; S267-V271 WeakPolarHBondContact OG-CG2 3.4Å; S267-D282 CarbonylContact O-C 3.33Å; S267-E283 CarbonylContact O-C 3.49Å; S267-E283 PolarHBondContact O-N 3.27Å
268	D	85.7	Confident	86	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-143.5	-172.8	-173.7	56.9	56.3	0	0	0	110.8	F270 V271 R275 V319 R320	D268-F270 WeakPolarHBondContact OD1-CA 3.48Å; D268-F270 WeakPolarHBondContact OD1-CB 3.5Å; D268-F270 PolarHBondContact OD1-N 3.27Å; D268-V271 WeakPolarHBondContact OD1-CG2 3.33Å; D268-V271 PolarHBondContact OD1-N 3.47Å; D268-R275 WeakPolarHBondContact O-CD 3.44Å; D268-V319 HydrophobicContact CB-CB 4.24Å; D268-V319 HydrophobicContact CB-CG2 4.13Å; D268-R320 IonicContact OD2-CZ 3.33Å; D268-R320 VanDerWaalsContact OD2-CZ 3.28Å; D268-R320 IonicContact OD2-NE 3.67Å; D268-R320 PolarHBondContact OD2-NE 3.46Å; D268-R320 IonicContact OD2-NH2 3.81Å; D268-R320 PolarHBondContact OD2-NH2 3Å
269	S	85.9	Confident	85.2	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-76.5	-20.4	-180	57.3	0	0	0	0	115.3	D279 P316	S269-D279 WeakPolarHBondContact CB-O 3.42Å; S269-D279 PolarHBondContact OG-O 3.19Å; S269-P316 WeakPolarHBondContact O-CB 3.24Å
270	F	88.8	Confident	84.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-84.6	-40.9	-175.5	177.5	-97.9	0	0	0	111.6	Y256 F259 D268 W304 P318 E323 F326 I327	Y256-F270 HydrophobicContact CE2-CE1 4.18Å; Y256-F270 HydrophobicContact CE2-CZ 4.2Å; Y256-F270 PolarHBondContact OH-O 3.03Å; F259-F270 HydrophobicContact CD1-CE1 4.31Å; F259-F270 HydrophobicContact CE1-CD1 4.45Å; F259-F270 HydrophobicContact CE1-CE1 4.01Å; D268-F270 WeakPolarHBondContact OD1-CA 3.48Å; D268-F270 WeakPolarHBondContact OD1-CB 3.5Å; D268-F270 PolarHBondContact OD1-N 3.27Å; F270-W304 AromaticContact CE2-CZ2 3.66Å; F270-W304 HydrophobicContact CE2-CZ2 3.66Å; F270-W304 HydrophobicContact CZ-CH2 4.26Å; F270-W304 AromaticContact CZ-CZ2 3.56Å; F270-W304 HydrophobicContact CZ-CZ2 3.56Å; F270-P318 HydrophobicContact CD2-CB 4.27Å; F270-E323 HydrophobicContact CD1-CB 3.85Å; F270-E323 HydrophobicContact CD1-CG 3.77Å; F270-E323 HydrophobicContact CE1-CB 4.04Å; F270-E323 HydrophobicContact CE1-CG 4.22Å; F270-E323 HydrophobicContact CG-CB 4.31Å; F270-E323 HydrophobicContact CG-CG 4.46Å; F270-F326 HydrophobicContact CE1-CD1 4.17Å; F270-F326 AromaticContact CZ-CD1 3.99Å; F270-F326 HydrophobicContact CZ-CD1 3.99Å; F270-F326 HydrophobicContact CZ-CE1 4.36Å; F270-I327 HydrophobicContact CE2-CD1 4.13Å
271	V	90.4	Very high	83.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-69.6	153	176.5	-60	0	0	0	0	111.7	S267 D268 P273	S267-V271 WeakPolarHBondContact OG-CG2 3.4Å; D268-V271 WeakPolarHBondContact OD1-CG2 3.33Å; D268-V271 PolarHBondContact OD1-N 3.47Å; V271-P273 CarbonylContact O-C 3.39Å
272	Y	91.1	Very high	82.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-61.3	141	171.8	-177.8	-89.2	0	0	0	112	F257 S260 L265 S266 W291 Q297 Y300	F257-Y272 HydrophobicContact CD2-CG 4.31Å; F257-Y272 AromaticContact CE2-CD1 3.88Å; F257-Y272 HydrophobicContact CE2-CD1 3.88Å; F257-Y272 HydrophobicContact CE2-CE1 4.28Å; F257-Y272 HydrophobicContact CE2-CG 4.08Å; S260-Y272 PolarHBondContact OG-N 3.39Å; L265-Y272 HydrophobicContact CD2-CD1 4.3Å; S266-Y272 PolarHBondContact N-O 3.35Å; Y272-W291 HydrophobicContact CE1-CB 4.47Å; Y272-W291 VanDerWaalsContact CE1-O 3.28Å; Y272-W291 WeakPolarHBondContact CE1-O 3.23Å; Y272-W291 AromaticContact CE2-CE3 3.74Å; Y272-W291 HydrophobicContact CE2-CE3 3.74Å; Y272-W291 HydrophobicContact CE2-CZ3 4.13Å; Y272-W291 AromaticContact CZ-CE3 3.78Å; Y272-W291 WeakPolarHBondContact OH-CA 3.37Å; Y272-W291 PolarHBondContact OH-O 3.19Å; Y272-Q297 HydrophobicContact CD1-CG 4.49Å; Y272-Q297 HydrophobicContact CE1-CB 4.41Å; Y272-Q297 HydrophobicContact CE1-CG 3.6Å; Y272-Q297 HydrophobicContact CE2-CG 4.45Å; Y272-Q297 WeakPolarHBondContact OH-CA 3.5Å; Y272-Q297 VanDerWaalsContact OH-CG 3.29Å; Y272-Q297 WeakPolarHBondContact OH-CG 3.48Å; Y272-Q297 PolarHBondContact OH-N 3.48Å; Y272-Y300 AromaticContact CD2-CD1 3.53Å; Y272-Y300 HydrophobicContact CD2-CD1 3.53Å; Y272-Y300 HydrophobicContact CD2-CE1 4.15Å; Y272-Y300 HydrophobicContact CD2-CG 4.21Å; Y272-Y300 AromaticContact CE2-CD1 3.97Å; Y272-Y300 HydrophobicContact CE2-CD1 3.97Å; Y272-Y300 HydrophobicContact CE2-CG 4.19Å
273	P	89.2	Confident	82.1	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.026	25%	0.253	C	S	.	.	S	Bend	cis	-82.4	159.4	-4.8	32	-33.2	0	0	0	113.8	V271 R275 Y287 W291	V271-P273 CarbonylContact O-C 3.39Å; P273-R275 PolarHBondContact O-N 3.03Å; P273-Y287 HydrophobicContact CG-CD1 3.78Å; P273-Y287 HydrophobicContact CG-CD2 4.37Å; P273-Y287 HydrophobicContact CG-CG 3.65Å; P273-W291 HydrophobicContact CB-CB 3.82Å; P273-W291 HydrophobicContact CB-CD2 3.69Å; P273-W291 HydrophobicContact CB-CE3 3.84Å; P273-W291 HydrophobicContact CB-CG 3.69Å; P273-W291 HydrophobicContact CG-CB 4.21Å; P273-W291 HydrophobicContact CG-CG 4.32Å
274	P	83.7	Confident	81.6	Confident	37 Å²	37	48.2 Å²	48.2	24%	0.24	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.8	-180	23.2	-33.6	0	0	0	112.3	W291 Y300	P274-W291 VanDerWaalsContact CD-CZ3 3.42Å; P274-W291 HydrophobicContact CG-CE3 4.32Å; P274-W291 HydrophobicContact CG-CH2 3.18Å; P274-W291 HydrophobicContact CG-CZ2 3.61Å; P274-W291 HydrophobicContact CG-CZ3 3.58Å; P274-Y300 HydrophobicContact CB-CD2 4.47Å; P274-Y300 HydrophobicContact CB-CE2 3.59Å; P274-Y300 WeakPolarHBondContact CB-OH 3.2Å; P274-Y300 HydrophobicContact CG-CD2 3.79Å; P274-Y300 HydrophobicContact CG-CE1 4.43Å; P274-Y300 HydrophobicContact CG-CE2 3.39Å; P274-Y300 HydrophobicContact CG-CG 4.48Å
275	R	81.2	Confident	81.2	Confident	32 Å²	32	50.8 Å²	50.8	12%	0.121	27%	0.273	C	S	.	.			trans	-108.5	168.8	167.6	-65.5	163.8	66.5	166.6	-8.9	109.8	S266 D268 P273 S277 D279 S281 E283 K285	S266-R275 PolarHBondContact O-NH1 2.9Å; D268-R275 WeakPolarHBondContact O-CD 3.44Å; P273-R275 PolarHBondContact O-N 3.03Å; R275-S277 PolarHBondContact O-N 2.86Å; R275-D279 IonicContact CZ-OD2 3.38Å; R275-D279 IonicContact NE-OD2 2.59Å; R275-D279 PolarHBondContact NE-OD2 3.48Å; R275-D279 IonicContact NH2-OD1 3.17Å; R275-D279 PolarHBondContact NH2-OD1 3.03Å; R275-D279 IonicContact NH2-OD2 2.69Å; R275-D279 PolarHBondContact NH2-OD2 2.89Å; R275-S281 PolarHBondContact NH2-O 3.4Å; R275-S281 PolarHBondContact NH2-OG 3.42Å; R275-E283 PolarHBondContact NH1-O 3.47Å; R275-E283 PolarHBondContact NH2-O 3.35Å; R275-K285 VanDerWaalsContact NH2-CD 3.29Å
276	S	74.5	Confident	80.8	Confident	76 Å²	76	55.3 Å²	55.3	53%	0.531	30%	0.297	S	S	.	.			trans	-55.3	136.6	172.2	50.1	0	0	0	0	110.2	D278 D279	S276-D278 PolarHBondContact O-N 2.94Å; S276-D279 VanDerWaalsContact O-CB 3.25Å; S276-D279 WeakPolarHBondContact O-CB 3.47Å; S276-D279 PolarHBondContact O-N 2.98Å; S276-D279 WeakPolarHBondContact OG-CB 3.45Å
277	S	69.7	Low	80.7	Confident	74 Å²	74	58.2 Å²	58.2	52%	0.517	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.5	179.7	51.8	0	0	0	0	114.2	R275 D279	R275-S277 PolarHBondContact O-N 2.86Å; S277-D279 VanDerWaalsContact C-N 3.28Å
278	D	72.7	Confident	80.7	Confident	142 Å²	142	62 Å²	62	76%	0.759	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.7	-179.8	-57.7	-17.1	0	0	0	112.4	S276 T280	S276-D278 PolarHBondContact O-N 2.94Å; D278-T280 PolarHBondContact O-N 3.48Å
279	D	75.3	Confident	80.5	Confident	22 Å²	22	69.5 Å²	69.5	12%	0.118	37%	0.366	C	S	.	.			trans	-87.7	90.9	-178.3	-171.5	2.1	0	0	0	110.8	S269 R275 S276 S277 S281 K285	S269-D279 WeakPolarHBondContact CB-O 3.42Å; S269-D279 PolarHBondContact OG-O 3.19Å; R275-D279 IonicContact CZ-OD2 3.38Å; R275-D279 IonicContact NE-OD2 2.59Å; R275-D279 PolarHBondContact NE-OD2 3.48Å; R275-D279 IonicContact NH2-OD1 3.17Å; R275-D279 PolarHBondContact NH2-OD1 3.03Å; R275-D279 IonicContact NH2-OD2 2.69Å; R275-D279 PolarHBondContact NH2-OD2 2.89Å; S276-D279 VanDerWaalsContact O-CB 3.25Å; S276-D279 WeakPolarHBondContact O-CB 3.47Å; S276-D279 PolarHBondContact O-N 2.98Å; S276-D279 WeakPolarHBondContact OG-CB 3.45Å; S277-D279 VanDerWaalsContact C-N 3.28Å; D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 WeakPolarHBondContact OD1-CB 3.47Å; D279-S281 PolarHBondContact OD1-N 2.9Å; D279-S281 PolarHBondContact OD1-OG 3.48Å; D279-K285 IonicContact OD1-NZ 3.82Å; D279-K285 PolarHBondContact OD1-NZ 3.42Å; D279-K285 IonicContact OD2-NZ 3.22Å; D279-K285 PolarHBondContact OD2-NZ 2.95Å
280	T	73.1	Confident	80.5	Confident	113 Å²	113	75 Å²	75	69%	0.693	39%	0.391	S	S	*	.			trans	-90.3	14.2	176.3	63.4	0	0	0	0	113	D278	D278-T280 PolarHBondContact O-N 3.48Å
281	S	75.9	Confident	80.4	Confident	32 Å²	32	78.1 Å²	78.1	22%	0.224	40%	0.403	C	S	.	.			trans	-79	126.2	179.2	63.6	0	0	0	0	110.7	R275 D279 E283	R275-S281 PolarHBondContact NH2-O 3.4Å; R275-S281 PolarHBondContact NH2-OG 3.42Å; D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 WeakPolarHBondContact OD1-CB 3.47Å; D279-S281 PolarHBondContact OD1-N 2.9Å; D279-S281 PolarHBondContact OD1-OG 3.48Å; S281-E283 PolarHBondContact O-N 2.83Å; S281-E283 VanDerWaalsContact O-N 3.09Å
282	D	76	Confident	80.2	Confident	96 Å²	96	81.7 Å²	81.7	51%	0.513	42%	0.422	S	S	.	.			trans	-83	40.6	170.5	-156.5	5.4	0	0	0	110.2	S267	S267-D282 CarbonylContact O-C 3.33Å
283	E	77.3	Confident	80.1	Confident	133 Å²	133	89.5 Å²	89.5	62%	0.621	45%	0.452	S	S	*	.			trans	-106.8	129.8	178.8	-73.2	-173.9	177.2	0	0	109.5	S267 R275 S281 K285	S267-E283 CarbonylContact O-C 3.49Å; S267-E283 PolarHBondContact O-N 3.27Å; R275-E283 PolarHBondContact NH1-O 3.47Å; R275-E283 PolarHBondContact NH2-O 3.35Å; S281-E283 PolarHBondContact O-N 2.83Å; S281-E283 VanDerWaalsContact O-N 3.09Å; E283-K285 PolarHBondContact O-N 2.88Å
284	Y	79.4	Confident	80.1	Confident	149 Å²	149	91.4 Å²	91.4	58%	0.584	46%	0.461	S	S	*	.			trans	-59.5	125.4	173.3	177.8	-97.9	0	0	0	111	L265 S266 N286	L265-Y284 WeakPolarHBondContact O-CE2 3.32Å; S266-Y284 WeakPolarHBondContact O-CA 3.26Å; Y284-N286 VanDerWaalsContact CE1-OD1 3.3Å; Y284-N286 WeakPolarHBondContact CE1-OD1 3.49Å
285	K	79	Confident	80.5	Confident	85 Å²	85	97.2 Å²	97.2	37%	0.37	48%	0.483	S	S	.	.			trans	-118.4	136.3	174.6	-68.4	-172.6	-174.6	165.9	0	110.6	S266 R275 D279 E283 Y287	S266-K285 WeakPolarHBondContact CB-O 3.48Å; S266-K285 PolarHBondContact OG-O 2.91Å; R275-K285 VanDerWaalsContact NH2-CD 3.29Å; D279-K285 IonicContact OD1-NZ 3.82Å; D279-K285 PolarHBondContact OD1-NZ 3.42Å; D279-K285 IonicContact OD2-NZ 3.22Å; D279-K285 PolarHBondContact OD2-NZ 2.95Å; E283-K285 PolarHBondContact O-N 2.88Å; K285-Y287 PolarHBondContact O-N 3.27Å
286	N	79.1	Confident	81	Confident	142 Å²	142	96.8 Å²	96.8	76%	0.759	49%	0.485	S	S	*	.			trans	-64.6	134.3	172.2	-72.6	-23	0	0	0	109.8	Y284	Y284-N286 VanDerWaalsContact CE1-OD1 3.3Å; Y284-N286 WeakPolarHBondContact CE1-OD1 3.49Å
287	Y	81.5	Confident	81.9	Confident	65 Å²	65	93.4 Å²	93.4	26%	0.255	46%	0.461	S	S	.	.			trans	-107.2	154.2	176	57.6	-98.3	0	0	0	111.7	P273 K285 W291 D292	P273-Y287 HydrophobicContact CG-CD1 3.78Å; P273-Y287 HydrophobicContact CG-CD2 4.37Å; P273-Y287 HydrophobicContact CG-CG 3.65Å; K285-Y287 PolarHBondContact O-N 3.27Å; Y287-W291 HydrophobicContact CD2-CB 3.7Å; Y287-W291 HydrophobicContact CE2-CB 4.35Å; Y287-W291 HydrophobicContact CG-CB 4.33Å; Y287-D292 HydrophobicContact CE2-CB 3.98Å; Y287-D292 PolarHBondContact OH-OD1 3.17Å
288	T	84.5	Confident	83.1	Confident	96 Å²	96	92.8 Å²	92.8	59%	0.589	45%	0.448	S	S	*	.			trans	-65	150.3	-179.4	-44.9	0	0	0	0	111.7	Q290 W291	T288-Q290 HydrophobicContact CG2-CB 4.35Å; T288-Q290 PolarHBondContact O-N 3.5Å; T288-W291 PolarHBondContact O-N 3.28Å
289	E	82.2	Confident	84.1	Confident	159 Å²	159	89.1 Å²	89.1	74%	0.743	43%	0.43	S	S	*	.	H	α-helix	trans	-49.4	-26.7	173.8	-65	-175.1	174.9	0	0	114	W291 D292	E289-W291 VanDerWaalsContact C-N 3.25Å; E289-W291 PolarHBondContact O-N 2.82Å; E289-D292 PolarHBondContact O-N 3.21Å; E289-D292 VanDerWaalsContact O-N 3.1Å
290	Q	86.2	Confident	85	Confident	117 Å²	117	89.4 Å²	89.4	55%	0.547	43%	0.43	S	S	.	.	H	α-helix	trans	-54.7	-41.2	173.6	179	177.9	-7.9	0	0	112.5	T288 D292 S296	T288-Q290 HydrophobicContact CG2-CB 4.35Å; T288-Q290 PolarHBondContact O-N 3.5Å; Q290-D292 VanDerWaalsContact C-N 3.33Å; Q290-S296 WeakPolarHBondContact O-CB 3.14Å; Q290-S296 PolarHBondContact O-OG 2.9Å
291	W	86.5	Confident	86	Confident	66 Å²	66	84 Å²	84	25%	0.25	40%	0.397	C	S	.	.	H	α-helix	trans	-82.5	-11.1	-179.8	-64.2	107	0	0	0	112.7	Y272 P273 P274 Y287 T288 E289 R293 Y300	Y272-W291 HydrophobicContact CE1-CB 4.47Å; Y272-W291 VanDerWaalsContact CE1-O 3.28Å; Y272-W291 WeakPolarHBondContact CE1-O 3.23Å; Y272-W291 AromaticContact CE2-CE3 3.74Å; Y272-W291 HydrophobicContact CE2-CE3 3.74Å; Y272-W291 HydrophobicContact CE2-CZ3 4.13Å; Y272-W291 AromaticContact CZ-CE3 3.78Å; Y272-W291 WeakPolarHBondContact OH-CA 3.37Å; Y272-W291 PolarHBondContact OH-O 3.19Å; P273-W291 HydrophobicContact CB-CB 3.82Å; P273-W291 HydrophobicContact CB-CD2 3.69Å; P273-W291 HydrophobicContact CB-CE3 3.84Å; P273-W291 HydrophobicContact CB-CG 3.69Å; P273-W291 HydrophobicContact CG-CB 4.21Å; P273-W291 HydrophobicContact CG-CG 4.32Å; P274-W291 VanDerWaalsContact CD-CZ3 3.42Å; P274-W291 HydrophobicContact CG-CE3 4.32Å; P274-W291 HydrophobicContact CG-CH2 3.18Å; P274-W291 HydrophobicContact CG-CZ2 3.61Å; P274-W291 HydrophobicContact CG-CZ3 3.58Å; Y287-W291 HydrophobicContact CD2-CB 3.7Å; Y287-W291 HydrophobicContact CE2-CB 4.35Å; Y287-W291 HydrophobicContact CG-CB 4.33Å; T288-W291 PolarHBondContact O-N 3.28Å; E289-W291 VanDerWaalsContact C-N 3.25Å; E289-W291 PolarHBondContact O-N 2.82Å; W291-R293 VanDerWaalsContact C-N 3.34Å; W291-Y300 HydrophobicContact CH2-CD2 4.33Å; W291-Y300 HydrophobicContact CZ3-CD2 4.1Å; W291-Y300 HydrophobicContact CZ3-CG 4.15Å
292	D	86	Confident	86.9	Confident	75 Å²	75	85.1 Å²	85.1	40%	0.401	40%	0.398	S	S	.	.	H	α-helix	trans	-81	-17.9	174.7	-158.8	45.1	0	0	0	113	Q127 Y287 E289 Q290 Q297	Q127-D292 PolarHBondContact NE2-O 3.47Å; Q127-D292 VanDerWaalsContact NE2-O 3.08Å; Q127-D292 PolarHBondContact OE1-O 3.08Å; Y287-D292 HydrophobicContact CE2-CB 3.98Å; Y287-D292 PolarHBondContact OH-OD1 3.17Å; E289-D292 PolarHBondContact O-N 3.21Å; E289-D292 VanDerWaalsContact O-N 3.1Å; Q290-D292 VanDerWaalsContact C-N 3.33Å; D292-Q297 PolarHBondContact O-NE2 3.02Å
293	R	89.3	Confident	87.8	Confident	164 Å²	164	86.4 Å²	86.4	62%	0.619	40%	0.396	S	S	*	.	S	Bend	trans	-68.5	132.1	180	-62.6	178	-178	-175.2	-0.1	111.6	W291 F295 S296 Q297	W291-R293 VanDerWaalsContact C-N 3.34Å; R293-F295 PolarHBondContact O-N 3.25Å; R293-F295 VanDerWaalsContact O-N 3.15Å; R293-S296 WeakPolarHBondContact O-CB 3.43Å; R293-S296 PolarHBondContact O-N 3.44Å; R293-Q297 PolarHBondContact O-N 2.83Å; R293-Q297 VanDerWaalsContact O-N 3.08Å
294	L	90.2	Very high	88.6	Confident	44 Å²	44	80.1 Å²	80.1	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-48.3	-43.4	175.1	179	67.8	0	0	0	113.6	F125 Q127 F128 S296 Q297 Y298	F125-L294 HydrophobicContact CB-CD1 3.63Å; F125-L294 HydrophobicContact CD1-CD1 4.01Å; F125-L294 HydrophobicContact CG-CD1 4.02Å; Q127-L294 HydrophobicContact CB-CD1 4.47Å; F128-L294 HydrophobicContact CB-CD1 4.14Å; F128-L294 HydrophobicContact CB-CD2 3.99Å; F128-L294 HydrophobicContact CD2-CD2 3.79Å; F128-L294 HydrophobicContact CG-CD2 4.36Å; L294-S296 PolarHBondContact O-N 3.03Å; L294-Q297 PolarHBondContact O-N 3.11Å; L294-Y298 PolarHBondContact O-N 3Å
295	F	91.4	Very high	89.3	Confident	160 Å²	160	73 Å²	73	70%	0.702	34%	0.339	S	S	*	.	H	α-helix	trans	-62.2	-43	179.9	-176.7	-100.6	0	0	0	111.8	R293 Y298 V299	R293-F295 PolarHBondContact O-N 3.25Å; R293-F295 VanDerWaalsContact O-N 3.15Å; F295-Y298 PolarHBondContact O-N 3.42Å; F295-V299 HydrophobicContact CD1-CG2 4.08Å; F295-V299 HydrophobicContact CD2-CG2 4.13Å; F295-V299 HydrophobicContact CE1-CG2 3.73Å; F295-V299 HydrophobicContact CE2-CG2 3.79Å; F295-V299 HydrophobicContact CG-CG2 4.27Å; F295-V299 HydrophobicContact CZ-CG2 3.58Å; F295-V299 WeakPolarHBondContact O-CB 3.25Å; F295-V299 WeakPolarHBondContact O-CG2 3.3Å; F295-V299 PolarHBondContact O-N 3.45Å
296	S	91.9	Very high	90	Very high	22 Å²	22	71 Å²	71	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-42.8	177.3	-53.7	0	0	0	0	111.5	Q290 R293 L294 Y298 Y300	Q290-S296 WeakPolarHBondContact O-CB 3.14Å; Q290-S296 PolarHBondContact O-OG 2.9Å; R293-S296 WeakPolarHBondContact O-CB 3.43Å; R293-S296 PolarHBondContact O-N 3.44Å; L294-S296 PolarHBondContact O-N 3.03Å; S296-Y298 PolarHBondContact O-N 2.93Å; S296-Y300 WeakPolarHBondContact O-CB 3.34Å; S296-Y300 PolarHBondContact O-N 3.44Å
297	Q	92.8	Very high	90.7	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.028	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-49.2	177	-66	175.1	6.5	0	0	111.2	F125 F257 Y272 D292 R293 L294 S301	F125-Q297 HydrophobicContact CD1-CB 4.05Å; F125-Q297 HydrophobicContact CE1-CB 3.79Å; F257-Q297 HydrophobicContact CD2-CB 4.32Å; F257-Q297 HydrophobicContact CE2-CB 3.71Å; F257-Q297 HydrophobicContact CE2-CG 3.82Å; F257-Q297 HydrophobicContact CZ-CB 4.11Å; F257-Q297 HydrophobicContact CZ-CG 4.04Å; F257-Q297 VanDerWaalsContact CZ-OE1 3.22Å; Y272-Q297 HydrophobicContact CD1-CG 4.49Å; Y272-Q297 HydrophobicContact CE1-CB 4.41Å; Y272-Q297 HydrophobicContact CE1-CG 3.6Å; Y272-Q297 HydrophobicContact CE2-CG 4.45Å; Y272-Q297 WeakPolarHBondContact OH-CA 3.5Å; Y272-Q297 VanDerWaalsContact OH-CG 3.29Å; Y272-Q297 WeakPolarHBondContact OH-CG 3.48Å; Y272-Q297 PolarHBondContact OH-N 3.48Å; D292-Q297 PolarHBondContact O-NE2 3.02Å; R293-Q297 PolarHBondContact O-N 2.83Å; R293-Q297 VanDerWaalsContact O-N 3.08Å; L294-Q297 PolarHBondContact O-N 3.11Å; Q297-S301 VanDerWaalsContact O-CB 3.29Å; Q297-S301 WeakPolarHBondContact O-CB 3.3Å; Q297-S301 PolarHBondContact O-N 2.96Å; Q297-S301 VanDerWaalsContact O-N 3.13Å; Q297-S301 PolarHBondContact O-OG 3.32Å
298	Y	94.6	Very high	91.3	Very high	61 Å²	61	61.8 Å²	61.8	24%	0.239	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-50.2	-179.9	-179.7	-101.1	0	0	0	112.3	F125 H250 L294 F295 S296 Y300 S301 F302	F125-Y298 AromaticContact CE2-CD2 3.82Å; F125-Y298 HydrophobicContact CE2-CD2 3.82Å; F125-Y298 AromaticContact CZ-CD2 3.95Å; F125-Y298 HydrophobicContact CZ-CD2 3.95Å; H250-Y298 AromaticContact CE1-CE2 3.86Å; H250-Y298 AromaticContact ND1-CE2 3.53Å; H250-Y298 AromaticContact ND1-CZ 3.75Å; H250-Y298 PolarHBondContact ND1-OH 3.15Å; L294-Y298 PolarHBondContact O-N 3Å; F295-Y298 PolarHBondContact O-N 3.42Å; S296-Y298 PolarHBondContact O-N 2.93Å; Y298-Y300 PolarHBondContact O-N 3.45Å; Y298-S301 PolarHBondContact O-N 3.21Å; Y298-F302 HydrophobicContact CE1-CD2 4.39Å; Y298-F302 VanDerWaalsContact O-CB 3.3Å; Y298-F302 WeakPolarHBondContact O-CB 3.48Å; Y298-F302 PolarHBondContact O-N 3.25Å
299	V	94.7	Very high	91.7	Very high	65 Å²	65	57.9 Å²	57.9	39%	0.394	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-43.4	-175.8	169.9	0	0	0	0	111.5	F295 F302 Y303	F295-V299 HydrophobicContact CD1-CG2 4.08Å; F295-V299 HydrophobicContact CD2-CG2 4.13Å; F295-V299 HydrophobicContact CE1-CG2 3.73Å; F295-V299 HydrophobicContact CE2-CG2 3.79Å; F295-V299 HydrophobicContact CG-CG2 4.27Å; F295-V299 HydrophobicContact CZ-CG2 3.58Å; F295-V299 WeakPolarHBondContact O-CB 3.25Å; F295-V299 WeakPolarHBondContact O-CG2 3.3Å; F295-V299 PolarHBondContact O-N 3.45Å; V299-F302 PolarHBondContact O-N 3.36Å; V299-Y303 WeakPolarHBondContact O-CB 3.39Å; V299-Y303 PolarHBondContact O-N 3.4Å
300	Y	93.5	Very high	92.2	Very high	27 Å²	27	52.3 Å²	52.3	11%	0.106	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-44.5	176.7	178.4	-91.5	0	0	0	111.7	Y256 Y272 P274 W291 S296 Y298 F302 Y303 W304	Y256-Y300 HydrophobicContact CE1-CD1 4.24Å; Y256-Y300 AromaticContact CE1-CE1 3.94Å; Y256-Y300 HydrophobicContact CE1-CE1 3.94Å; Y272-Y300 AromaticContact CD2-CD1 3.53Å; Y272-Y300 HydrophobicContact CD2-CD1 3.53Å; Y272-Y300 HydrophobicContact CD2-CE1 4.15Å; Y272-Y300 HydrophobicContact CD2-CG 4.21Å; Y272-Y300 AromaticContact CE2-CD1 3.97Å; Y272-Y300 HydrophobicContact CE2-CD1 3.97Å; Y272-Y300 HydrophobicContact CE2-CG 4.19Å; P274-Y300 HydrophobicContact CB-CD2 4.47Å; P274-Y300 HydrophobicContact CB-CE2 3.59Å; P274-Y300 WeakPolarHBondContact CB-OH 3.2Å; P274-Y300 HydrophobicContact CG-CD2 3.79Å; P274-Y300 HydrophobicContact CG-CE1 4.43Å; P274-Y300 HydrophobicContact CG-CE2 3.39Å; P274-Y300 HydrophobicContact CG-CG 4.48Å; W291-Y300 HydrophobicContact CH2-CD2 4.33Å; W291-Y300 HydrophobicContact CZ3-CD2 4.1Å; W291-Y300 HydrophobicContact CZ3-CG 4.15Å; S296-Y300 WeakPolarHBondContact O-CB 3.34Å; S296-Y300 PolarHBondContact O-N 3.44Å; Y298-Y300 PolarHBondContact O-N 3.45Å; Y300-F302 VanDerWaalsContact C-N 3.26Å; Y300-F302 PolarHBondContact O-N 3.32Å; Y300-Y303 WeakPolarHBondContact O-CB 3.49Å; Y300-Y303 PolarHBondContact O-N 2.92Å; Y300-W304 HydrophobicContact CE1-CB 4.46Å; Y300-W304 WeakPolarHBondContact O-CB 3.25Å; Y300-W304 PolarHBondContact O-N 3.09Å
301	S	94.6	Very high	92.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-37.1	177.9	-56.4	0	0	0	0	111.9	A253 Q297 Y298 S305	A253-S301 WeakPolarHBondContact CB-O 3.27Å; Q297-S301 VanDerWaalsContact O-CB 3.29Å; Q297-S301 WeakPolarHBondContact O-CB 3.3Å; Q297-S301 PolarHBondContact O-N 2.96Å; Q297-S301 VanDerWaalsContact O-N 3.13Å; Q297-S301 PolarHBondContact O-OG 3.32Å; Y298-S301 PolarHBondContact O-N 3.21Å; S301-S305 VanDerWaalsContact O-CB 3.25Å; S301-S305 WeakPolarHBondContact O-CB 3.39Å; S301-S305 PolarHBondContact O-N 3.5Å
302	F	95.3	Very high	92.6	Very high	56 Å²	56	50.9 Å²	50.9	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-41.6	174.8	-167.4	-85.8	0	0	0	112.1	L246 I249 A253 Y298 V299 Y300 T306	L246-F302 HydrophobicContact CD2-CZ 4.4Å; I249-F302 HydrophobicContact CB-CE2 4.16Å; I249-F302 HydrophobicContact CB-CZ 4.21Å; I249-F302 HydrophobicContact CG2-CD1 4.22Å; I249-F302 HydrophobicContact CG2-CD2 3.87Å; I249-F302 HydrophobicContact CG2-CE1 3.88Å; I249-F302 HydrophobicContact CG2-CE2 3.51Å; I249-F302 HydrophobicContact CG2-CG 4.21Å; I249-F302 HydrophobicContact CG2-CZ 3.52Å; A253-F302 HydrophobicContact CB-CB 4.36Å; Y298-F302 HydrophobicContact CE1-CD2 4.39Å; Y298-F302 VanDerWaalsContact O-CB 3.3Å; Y298-F302 WeakPolarHBondContact O-CB 3.48Å; Y298-F302 PolarHBondContact O-N 3.25Å; V299-F302 PolarHBondContact O-N 3.36Å; Y300-F302 VanDerWaalsContact C-N 3.26Å; Y300-F302 PolarHBondContact O-N 3.32Å; F302-T306 WeakPolarHBondContact O-CB 3.38Å; F302-T306 PolarHBondContact O-N 3.07Å; F302-T306 PolarHBondContact O-OG1 3.4Å
303	Y	94.2	Very high	92.5	Very high	123 Å²	123	49 Å²	49	48%	0.482	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-49.1	174.2	172	-107.8	0	0	0	111.8	V299 Y300 S305 T306 L307	V299-Y303 WeakPolarHBondContact O-CB 3.39Å; V299-Y303 PolarHBondContact O-N 3.4Å; Y300-Y303 WeakPolarHBondContact O-CB 3.49Å; Y300-Y303 PolarHBondContact O-N 2.92Å; Y303-S305 PolarHBondContact O-N 2.82Å; Y303-T306 WeakPolarHBondContact O-CB 3.41Å; Y303-T306 PolarHBondContact O-N 3.18Å; Y303-L307 HydrophobicContact CD1-CD1 4.15Å; Y303-L307 HydrophobicContact CE1-CD1 3.56Å; Y303-L307 HydrophobicContact CE1-CG 4.47Å; Y303-L307 HydrophobicContact CE2-CD1 4.06Å; Y303-L307 HydrophobicContact CE2-CD2 4.36Å; Y303-L307 HydrophobicContact CE2-CG 4.17Å; Y303-L307 PolarHBondContact O-N 3.07Å
304	W	94	Very high	92.3	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-49.6	176.1	-175.1	96.2	0	0	0	111.3	Y256 F270 Y300 T306 L307 I308 T315 F326 D330	Y256-W304 HydrophobicContact CD1-CB 4.39Å; Y256-W304 HydrophobicContact CD1-CD2 4.16Å; Y256-W304 HydrophobicContact CD1-CE3 4.1Å; Y256-W304 HydrophobicContact CD1-CG 4.28Å; Y256-W304 AromaticContact CD2-CD2 3.54Å; Y256-W304 HydrophobicContact CD2-CD2 3.54Å; Y256-W304 AromaticContact CD2-CE2 3.66Å; Y256-W304 AromaticContact CD2-CE3 3.49Å; Y256-W304 HydrophobicContact CD2-CE3 3.49Å; Y256-W304 VanDerWaalsContact CD2-CE3 3.49Å; Y256-W304 HydrophobicContact CD2-CG 4.28Å; Y256-W304 AromaticContact CD2-CH2 3.81Å; Y256-W304 HydrophobicContact CD2-CH2 3.81Å; Y256-W304 AromaticContact CD2-CZ2 3.82Å; Y256-W304 HydrophobicContact CD2-CZ2 3.82Å; Y256-W304 AromaticContact CD2-CZ3 3.64Å; Y256-W304 HydrophobicContact CD2-CZ3 3.64Å; Y256-W304 HydrophobicContact CE1-CB 4.22Å; Y256-W304 HydrophobicContact CE1-CD2 4.27Å; Y256-W304 HydrophobicContact CE1-CG 4.05Å; Y256-W304 AromaticContact CE2-CD2 3.68Å; Y256-W304 HydrophobicContact CE2-CD2 3.68Å; Y256-W304 AromaticContact CE2-CE2 3.56Å; Y256-W304 HydrophobicContact CE2-CE3 4.14Å; Y256-W304 HydrophobicContact CE2-CG 4.07Å; Y256-W304 HydrophobicContact CE2-CH2 4.44Å; Y256-W304 AromaticContact CE2-CZ2 3.98Å; Y256-W304 HydrophobicContact CE2-CZ2 3.98Å; Y256-W304 AromaticContact CE2-NE1 3.76Å; Y256-W304 AromaticContact CG-CD2 3.79Å; Y256-W304 HydrophobicContact CG-CD2 3.79Å; Y256-W304 AromaticContact CG-CE3 3.46Å; Y256-W304 HydrophobicContact CG-CE3 3.46Å; Y256-W304 VanDerWaalsContact CG-CE3 3.46Å; Y256-W304 HydrophobicContact CG-CG 4.39Å; Y256-W304 HydrophobicContact CG-CH2 4.49Å; Y256-W304 AromaticContact CG-CZ3 3.86Å; Y256-W304 HydrophobicContact CG-CZ3 3.86Å; Y256-W304 AromaticContact CZ-CD1 3.95Å; Y256-W304 AromaticContact CZ-CG 3.94Å; F270-W304 AromaticContact CE2-CZ2 3.66Å; F270-W304 HydrophobicContact CE2-CZ2 3.66Å; F270-W304 HydrophobicContact CZ-CH2 4.26Å; F270-W304 AromaticContact CZ-CZ2 3.56Å; F270-W304 HydrophobicContact CZ-CZ2 3.56Å; Y300-W304 HydrophobicContact CE1-CB 4.46Å; Y300-W304 WeakPolarHBondContact O-CB 3.25Å; Y300-W304 PolarHBondContact O-N 3.09Å; W304-T306 VanDerWaalsContact C-N 3.31Å; W304-T306 PolarHBondContact O-N 2.81Å; W304-L307 PolarHBondContact O-N 3.37Å; W304-I308 HydrophobicContact CD2-CG1 4.16Å; W304-I308 HydrophobicContact CE3-CG1 4.12Å; W304-I308 HydrophobicContact CH2-CD1 4.48Å; W304-I308 HydrophobicContact CH2-CG1 3.71Å; W304-I308 HydrophobicContact CZ2-CD1 4.18Å; W304-I308 HydrophobicContact CZ2-CG1 3.76Å; W304-I308 HydrophobicContact CZ3-CG1 3.9Å; W304-I308 PolarHBondContact O-N 3.18Å; W304-I308 VanDerWaalsContact O-N 3.16Å; W304-T315 HydrophobicContact CG-CG2 4.16Å; W304-F326 HydrophobicContact CH2-CD1 4.49Å; W304-F326 AromaticContact CH2-CE1 3.72Å; W304-F326 HydrophobicContact CH2-CE1 3.72Å; W304-F326 HydrophobicContact CZ3-CE1 4.23Å; W304-D330 WeakPolarHBondContact CZ3-OD2 3.31Å
305	S	94.7	Very high	92.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-42	176.8	169.8	0	0	0	0	112.4	I249 N252 A253 S301 Y303 L307 I308 L309	I249-S305 PolarHBondContact O-OG 2.96Å; N252-S305 WeakPolarHBondContact CB-OG 3.45Å; N252-S305 PolarHBondContact ND2-OG 3.38Å; A253-S305 PolarHBondContact N-OG 3.5Å; S301-S305 VanDerWaalsContact O-CB 3.25Å; S301-S305 WeakPolarHBondContact O-CB 3.39Å; S301-S305 PolarHBondContact O-N 3.5Å; Y303-S305 PolarHBondContact O-N 2.82Å; S305-L307 PolarHBondContact O-N 3.03Å; S305-I308 PolarHBondContact O-N 3.09Å; S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 WeakPolarHBondContact O-CG 3.27Å; S305-L309 PolarHBondContact O-N 3.5Å
306	T	93.8	Very high	91.8	Very high	42 Å²	42	40.8 Å²	40.8	26%	0.258	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-44.5	178.3	-57.1	0	0	0	0	111.1	I249 F302 Y303 W304 I308 T310	I249-T306 WeakPolarHBondContact CG2-OG1 3.36Å; F302-T306 WeakPolarHBondContact O-CB 3.38Å; F302-T306 PolarHBondContact O-N 3.07Å; F302-T306 PolarHBondContact O-OG1 3.4Å; Y303-T306 WeakPolarHBondContact O-CB 3.41Å; Y303-T306 PolarHBondContact O-N 3.18Å; W304-T306 VanDerWaalsContact C-N 3.31Å; W304-T306 PolarHBondContact O-N 2.81Å; T306-I308 PolarHBondContact O-N 3.36Å; T306-T310 HydrophobicContact CG2-CG2 4.23Å; T306-T310 VanDerWaalsContact O-CB 3.31Å; T306-T310 WeakPolarHBondContact O-CB 3.44Å; T306-T310 VanDerWaalsContact O-CG2 3.31Å; T306-T310 WeakPolarHBondContact O-CG2 3.49Å; T306-T310 PolarHBondContact O-N 3.42Å; T306-T310 PolarHBondContact O-OG1 2.98Å
307	L	93.6	Very high	91.5	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-40.3	179.4	-72	173.6	0	0	0	112.9	Y303 W304 S305 T311 I312 G313 T315	Y303-L307 HydrophobicContact CD1-CD1 4.15Å; Y303-L307 HydrophobicContact CE1-CD1 3.56Å; Y303-L307 HydrophobicContact CE1-CG 4.47Å; Y303-L307 HydrophobicContact CE2-CD1 4.06Å; Y303-L307 HydrophobicContact CE2-CD2 4.36Å; Y303-L307 HydrophobicContact CE2-CG 4.17Å; Y303-L307 PolarHBondContact O-N 3.07Å; W304-L307 PolarHBondContact O-N 3.37Å; S305-L307 PolarHBondContact O-N 3.03Å; L307-T311 PolarHBondContact O-N 3.06Å; L307-I312 HydrophobicContact CD2-CB 4.01Å; L307-I312 HydrophobicContact CD2-CD1 4.12Å; L307-I312 HydrophobicContact CD2-CG2 3.93Å; L307-I312 PolarHBondContact O-N 3.47Å; L307-G313 PolarHBondContact O-N 3.4Å; L307-T315 HydrophobicContact CB-CG2 4.08Å; L307-T315 HydrophobicContact CD1-CG2 4.08Å
308	I	93.6	Very high	91.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-70.8	-49.9	178.6	-62	-59.7	0	0	0	110.9	W304 S305 T306 T310 T311 T315 I327 D330	W304-I308 HydrophobicContact CD2-CG1 4.16Å; W304-I308 HydrophobicContact CE3-CG1 4.12Å; W304-I308 HydrophobicContact CH2-CD1 4.48Å; W304-I308 HydrophobicContact CH2-CG1 3.71Å; W304-I308 HydrophobicContact CZ2-CD1 4.18Å; W304-I308 HydrophobicContact CZ2-CG1 3.76Å; W304-I308 HydrophobicContact CZ3-CG1 3.9Å; W304-I308 PolarHBondContact O-N 3.18Å; W304-I308 VanDerWaalsContact O-N 3.16Å; S305-I308 PolarHBondContact O-N 3.09Å; T306-I308 PolarHBondContact O-N 3.36Å; I308-T310 VanDerWaalsContact C-N 3.26Å; I308-T310 PolarHBondContact O-N 2.95Å; I308-T311 PolarHBondContact O-N 3.27Å; I308-T315 HydrophobicContact CD1-CG2 3.65Å; I308-T315 HydrophobicContact CG1-CG2 4.02Å; I308-I327 HydrophobicContact CD1-CD1 4.24Å; I308-I327 HydrophobicContact CD1-CG1 4.29Å; I308-D330 HydrophobicContact CG2-CB 4.25Å; I308-D330 VanDerWaalsContact CG2-OD2 3.27Å; I308-D330 WeakPolarHBondContact CG2-OD2 3.23Å
309	L	93	Very high	91	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-22.6	-177.1	-66.9	-179.9	0	0	0	113.5	I249 N252 S305 T311 I337	I249-L309 HydrophobicContact CB-CD1 4.37Å; I249-L309 HydrophobicContact CG1-CD1 3.85Å; N252-L309 HydrophobicContact CB-CD1 3.93Å; S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 WeakPolarHBondContact O-CG 3.27Å; S305-L309 PolarHBondContact O-N 3.5Å; L309-T311 VanDerWaalsContact C-N 3.34Å; L309-I337 HydrophobicContact CD2-CD1 4.27Å
310	T	91.8	Very high	90.7	Very high	43 Å²	43	46.7 Å²	46.7	26%	0.264	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	6.9	172.7	58.7	0	0	0	0	113.4	T306 I308 I312	T306-T310 HydrophobicContact CG2-CG2 4.23Å; T306-T310 VanDerWaalsContact O-CB 3.31Å; T306-T310 WeakPolarHBondContact O-CB 3.44Å; T306-T310 VanDerWaalsContact O-CG2 3.31Å; T306-T310 WeakPolarHBondContact O-CG2 3.49Å; T306-T310 PolarHBondContact O-N 3.42Å; T306-T310 PolarHBondContact O-OG1 2.98Å; I308-T310 VanDerWaalsContact C-N 3.26Å; I308-T310 PolarHBondContact O-N 2.95Å; T310-I312 PolarHBondContact O-N 3.45Å; T310-I312 VanDerWaalsContact O-N 3.16Å; T310-I312 WeakPolarHBondContact OG1-CD1 3.17Å
311	T	91.1	Very high	90.7	Very high	54 Å²	54	51.8 Å²	51.8	33%	0.331	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	17.4	176.9	69.5	0	0	0	0	115.1	L307 I308 L309 V335	L307-T311 PolarHBondContact O-N 3.06Å; I308-T311 PolarHBondContact O-N 3.27Å; L309-T311 VanDerWaalsContact C-N 3.34Å; T311-V335 HydrophobicContact CG2-CB 4.48Å; T311-V335 HydrophobicContact CG2-CG2 3.72Å
312	I	91.6	Very high	90.6	Very high	99 Å²	99	54.5 Å²	54.5	51%	0.508	29%	0.288	S	S	.	.			trans	-72.1	-43	175.2	-59.2	173.5	0	0	0	109.6	L307 T310 E314	L307-I312 HydrophobicContact CD2-CB 4.01Å; L307-I312 HydrophobicContact CD2-CD1 4.12Å; L307-I312 HydrophobicContact CD2-CG2 3.93Å; L307-I312 PolarHBondContact O-N 3.47Å; T310-I312 PolarHBondContact O-N 3.45Å; T310-I312 VanDerWaalsContact O-N 3.16Å; T310-I312 WeakPolarHBondContact OG1-CD1 3.17Å; I312-E314 VanDerWaalsContact C-N 3.28Å; I312-E314 HydrophobicContact CG2-CB 4.41Å; I312-E314 HydrophobicContact CG2-CG 4.07Å; I312-E314 PolarHBondContact O-N 3.22Å
313	G	82.1	Confident	90.4	Very high	34 Å²	34	51.8 Å²	51.8	35%	0.351	28%	0.276	S	S	.	.			trans	70	12.5	169	0	0	0	0	0	116.5	L307 T315	L307-G313 PolarHBondContact O-N 3.4Å; G313-T315 PolarHBondContact O-N 3.02Å
314	E	85.3	Confident	90.4	Very high	151 Å²	151	51.6 Å²	51.6	71%	0.706	28%	0.275	S	S	*	.			trans	-76	58.7	175.5	-70.4	-174.5	173.8	0	0	112	I312	I312-E314 VanDerWaalsContact C-N 3.28Å; I312-E314 HydrophobicContact CG2-CB 4.41Å; I312-E314 HydrophobicContact CG2-CG 4.07Å; I312-E314 PolarHBondContact O-N 3.22Å
315	T	85.8	Confident	90.4	Very high	24 Å²	24	56.7 Å²	56.7	15%	0.147	30%	0.301	C	S	.	.	S	Bend	trans	-114	156.5	-179.9	58.6	0	0	0	0	111.5	W304 L307 I308 G313	W304-T315 HydrophobicContact CG-CG2 4.16Å; L307-T315 HydrophobicContact CB-CG2 4.08Å; L307-T315 HydrophobicContact CD1-CG2 4.08Å; I308-T315 HydrophobicContact CD1-CG2 3.65Å; I308-T315 HydrophobicContact CG1-CG2 4.02Å; G313-T315 PolarHBondContact O-N 3.02Å
316	P	86.3	Confident	90.4	Very high	21 Å²	21	58.2 Å²	58.2	14%	0.136	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-52.6	144.2	173.9	-25	34	0	0	0	112	S269	S269-P316 WeakPolarHBondContact O-CB 3.24Å
317	K	85.9	Confident	90.4	Very high	155 Å²	155	57.5 Å²	57.5	67%	0.674	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-69.8	136.7	-178.5	-65.2	177.7	-177.6	171.7	0	109.9
318	P	88.6	Confident	90.4	Very high	16 Å²	16	61.2 Å²	61.2	10%	0.104	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-63.6	142.9	171.7	29.2	-36.6	0	0	0	110.5	F270 E323 Y324 I327	F270-P318 HydrophobicContact CD2-CB 4.27Å; P318-E323 HydrophobicContact CB-CB 3.58Å; P318-Y324 HydrophobicContact CB-CD1 4.4Å; P318-Y324 HydrophobicContact CB-CD2 4.06Å; P318-Y324 HydrophobicContact CB-CE1 4.5Å; P318-Y324 HydrophobicContact CB-CE2 4.13Å; P318-Y324 HydrophobicContact CB-CG 4.18Å; P318-Y324 HydrophobicContact CG-CD1 3.66Å; P318-Y324 HydrophobicContact CG-CD2 4.13Å; P318-Y324 HydrophobicContact CG-CE1 3.57Å; P318-Y324 HydrophobicContact CG-CE2 4.02Å; P318-Y324 HydrophobicContact CG-CG 3.94Å; P318-Y324 VanDerWaalsContact O-CE2 3.28Å; P318-Y324 WeakPolarHBondContact O-CE2 3.34Å; P318-Y324 PolarHBondContact O-OH 3.07Å; P318-Y324 VanDerWaalsContact O-OH 3.07Å; P318-I327 HydrophobicContact CG-CG2 4.14Å
319	V	87.2	Confident	90.4	Very high	46 Å²	46	66.1 Å²	66.1	28%	0.279	35%	0.351	S	S	.	.			trans	-106.5	-43.7	-179.9	-179.2	0	0	0	0	110.2	D268 E323	D268-V319 HydrophobicContact CB-CB 4.24Å; D268-V319 HydrophobicContact CB-CG2 4.13Å; V319-E323 PolarHBondContact N-OE2 3.37Å
320	R	88.5	Confident	90.4	Very high	61 Å²	61	66.1 Å²	66.1	23%	0.23	35%	0.351	C	S	.	.	S	Bend	trans	-97.4	150.1	-174.6	-62.7	174.9	-66	148.9	13.9	112.2	S263 D268 A322 E323 Y324	S263-R320 PolarHBondContact O-NH1 3.5Å; S263-R320 PolarHBondContact OG-NH2 3.06Å; D268-R320 IonicContact OD2-CZ 3.33Å; D268-R320 VanDerWaalsContact OD2-CZ 3.28Å; D268-R320 IonicContact OD2-NE 3.67Å; D268-R320 PolarHBondContact OD2-NE 3.46Å; D268-R320 IonicContact OD2-NH2 3.81Å; D268-R320 PolarHBondContact OD2-NH2 3Å; R320-A322 PolarHBondContact O-N 2.95Å; R320-A322 VanDerWaalsContact O-N 3.14Å; R320-E323 HydrophobicContact CB-CG 4.05Å; R320-E323 IonicContact CZ-OE1 2.75Å; R320-E323 PolarHBondContact N-OE2 3.38Å; R320-E323 IonicContact NE-OE1 2.94Å; R320-E323 PolarHBondContact NE-OE1 3.39Å; R320-E323 IonicContact NH2-OE1 3.1Å; R320-E323 PolarHBondContact NH2-OE1 2.99Å; R320-E323 WeakPolarHBondContact O-CA 3.47Å; R320-E323 VanDerWaalsContact O-CB 3.29Å; R320-E323 WeakPolarHBondContact O-CB 3.42Å; R320-E323 PolarHBondContact O-N 3.37Å; R320-Y324 WeakPolarHBondContact O-CD2 3.4Å; R320-Y324 PolarHBondContact O-N 3.5Å; R320-Y324 VanDerWaalsContact O-N 3.15Å
321	N	92.8	Very high	90.4	Very high	135 Å²	135	68.3 Å²	68.3	72%	0.722	36%	0.357	S	S	*	.	H	α-helix	trans	-54.9	-36.6	-179.2	-69.8	-19.7	0	0	0	113.4	E323 Y324 I325	N321-E323 VanDerWaalsContact C-N 3.28Å; N321-E323 PolarHBondContact O-N 3.02Å; N321-Y324 PolarHBondContact O-N 3.24Å; N321-I325 WeakPolarHBondContact O-CG1 3.33Å; N321-I325 PolarHBondContact O-N 2.91Å; N321-I325 VanDerWaalsContact O-N 3.12Å
322	A	92.4	Very high	90.6	Very high	56 Å²	56	71 Å²	71	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-35.4	176.8	0	0	0	0	0	112.2	F259 R320 I325 F326	F259-A322 HydrophobicContact CZ-CB 4.37Å; R320-A322 PolarHBondContact O-N 2.95Å; R320-A322 VanDerWaalsContact O-N 3.14Å; A322-I325 PolarHBondContact O-N 3.49Å; A322-F326 WeakPolarHBondContact O-CB 3.43Å; A322-F326 PolarHBondContact O-N 3.36Å
323	E	93	Very high	90.6	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-72.7	-40.4	179	-53.1	178.2	149.5	0	0	111	F259 F270 P318 V319 R320 N321 I325 F326 I327	F259-E323 HydrophobicContact CE1-CG 3.96Å; F259-E323 HydrophobicContact CZ-CG 4.08Å; F270-E323 HydrophobicContact CD1-CB 3.85Å; F270-E323 HydrophobicContact CD1-CG 3.77Å; F270-E323 HydrophobicContact CE1-CB 4.04Å; F270-E323 HydrophobicContact CE1-CG 4.22Å; F270-E323 HydrophobicContact CG-CB 4.31Å; F270-E323 HydrophobicContact CG-CG 4.46Å; P318-E323 HydrophobicContact CB-CB 3.58Å; V319-E323 PolarHBondContact N-OE2 3.37Å; R320-E323 HydrophobicContact CB-CG 4.05Å; R320-E323 IonicContact CZ-OE1 2.75Å; R320-E323 PolarHBondContact N-OE2 3.38Å; R320-E323 IonicContact NE-OE1 2.94Å; R320-E323 PolarHBondContact NE-OE1 3.39Å; R320-E323 IonicContact NH2-OE1 3.1Å; R320-E323 PolarHBondContact NH2-OE1 2.99Å; R320-E323 WeakPolarHBondContact O-CA 3.47Å; R320-E323 VanDerWaalsContact O-CB 3.29Å; R320-E323 WeakPolarHBondContact O-CB 3.42Å; R320-E323 PolarHBondContact O-N 3.37Å; N321-E323 VanDerWaalsContact C-N 3.28Å; N321-E323 PolarHBondContact O-N 3.02Å; E323-I325 VanDerWaalsContact C-N 3.32Å; E323-I325 PolarHBondContact O-N 3.47Å; E323-F326 PolarHBondContact O-N 2.84Å; E323-I327 VanDerWaalsContact O-CG2 3.3Å; E323-I327 WeakPolarHBondContact O-CG2 3.38Å; E323-I327 PolarHBondContact O-N 3.27Å
324	Y	92.9	Very high	91.1	Very high	119 Å²	119	67.8 Å²	67.8	47%	0.467	35%	0.347	S	S	.	.	H	α-helix	trans	-57.8	-43.9	172	-82.6	-81.4	0	0	0	111.8	P318 R320 N321 I327 T328	P318-Y324 HydrophobicContact CB-CD1 4.4Å; P318-Y324 HydrophobicContact CB-CD2 4.06Å; P318-Y324 HydrophobicContact CB-CE1 4.5Å; P318-Y324 HydrophobicContact CB-CE2 4.13Å; P318-Y324 HydrophobicContact CB-CG 4.18Å; P318-Y324 HydrophobicContact CG-CD1 3.66Å; P318-Y324 HydrophobicContact CG-CD2 4.13Å; P318-Y324 HydrophobicContact CG-CE1 3.57Å; P318-Y324 HydrophobicContact CG-CE2 4.02Å; P318-Y324 HydrophobicContact CG-CG 3.94Å; P318-Y324 VanDerWaalsContact O-CE2 3.28Å; P318-Y324 WeakPolarHBondContact O-CE2 3.34Å; P318-Y324 PolarHBondContact O-OH 3.07Å; P318-Y324 VanDerWaalsContact O-OH 3.07Å; R320-Y324 WeakPolarHBondContact O-CD2 3.4Å; R320-Y324 PolarHBondContact O-N 3.5Å; R320-Y324 VanDerWaalsContact O-N 3.15Å; N321-Y324 PolarHBondContact O-N 3.24Å; Y324-I327 WeakPolarHBondContact O-CG2 3.42Å; Y324-T328 VanDerWaalsContact O-CB 3.26Å; Y324-T328 WeakPolarHBondContact O-CB 3.45Å; Y324-T328 PolarHBondContact O-N 3.22Å; Y324-T328 VanDerWaalsContact O-N 3.09Å; Y324-T328 PolarHBondContact O-OG1 3.42Å
325	I	95.4	Very high	91.5	Very high	107 Å²	107	63.5 Å²	63.5	55%	0.549	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-46.5	176.9	-66	167.6	0	0	0	110.2	N321 A322 E323 T328 I329	N321-I325 WeakPolarHBondContact O-CG1 3.33Å; N321-I325 PolarHBondContact O-N 2.91Å; N321-I325 VanDerWaalsContact O-N 3.12Å; A322-I325 PolarHBondContact O-N 3.49Å; E323-I325 VanDerWaalsContact C-N 3.32Å; E323-I325 PolarHBondContact O-N 3.47Å; I325-T328 PolarHBondContact O-N 3.22Å; I325-I329 HydrophobicContact CG2-CD1 3.78Å; I325-I329 WeakPolarHBondContact O-CG1 3.14Å; I325-I329 PolarHBondContact O-N 3.35Å
326	F	93.9	Very high	91.9	Very high	32 Å²	32	67.6 Å²	67.6	14%	0.14	35%	0.351	C	S	.	.	H	α-helix	trans	-58.3	-53.9	-179.8	176.1	-104.2	0	0	0	112	I255 Y256 F259 F270 W304 A322 E323 T328 I329 D330	I255-F326 HydrophobicContact CG2-CE2 3.67Å; I255-F326 HydrophobicContact CG2-CZ 3.96Å; Y256-F326 HydrophobicContact CD2-CE1 4.31Å; F259-F326 HydrophobicContact CD1-CD1 4.31Å; F259-F326 HydrophobicContact CD2-CD2 4.12Å; F259-F326 HydrophobicContact CD2-CG 4.23Å; F259-F326 HydrophobicContact CE1-CD1 4.47Å; F259-F326 HydrophobicContact CE2-CB 4.1Å; F259-F326 HydrophobicContact CE2-CD2 4.46Å; F259-F326 HydrophobicContact CE2-CG 4.24Å; F259-F326 HydrophobicContact CG-CD1 4.47Å; F259-F326 HydrophobicContact CG-CD2 4.38Å; F259-F326 HydrophobicContact CG-CG 4.36Å; F259-F326 HydrophobicContact CZ-CB 4.14Å; F259-F326 HydrophobicContact CZ-CG 4.41Å; F270-F326 HydrophobicContact CE1-CD1 4.17Å; F270-F326 AromaticContact CZ-CD1 3.99Å; F270-F326 HydrophobicContact CZ-CD1 3.99Å; F270-F326 HydrophobicContact CZ-CE1 4.36Å; W304-F326 HydrophobicContact CH2-CD1 4.49Å; W304-F326 AromaticContact CH2-CE1 3.72Å; W304-F326 HydrophobicContact CH2-CE1 3.72Å; W304-F326 HydrophobicContact CZ3-CE1 4.23Å; A322-F326 WeakPolarHBondContact O-CB 3.43Å; A322-F326 PolarHBondContact O-N 3.36Å; E323-F326 PolarHBondContact O-N 2.84Å; F326-T328 VanDerWaalsContact C-N 3.32Å; F326-T328 PolarHBondContact O-N 3.29Å; F326-I329 PolarHBondContact O-N 2.91Å; F326-D330 WeakPolarHBondContact O-CB 3.16Å; F326-D330 PolarHBondContact O-N 3.05Å
327	I	93	Very high	92.2	Very high	28 Å²	28	68.5 Å²	68.5	14%	0.144	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-34.9	-179.5	-162.2	177.5	0	0	0	111.8	F270 I308 P318 E323 Y324 D330 F331	F270-I327 HydrophobicContact CE2-CD1 4.13Å; I308-I327 HydrophobicContact CD1-CD1 4.24Å; I308-I327 HydrophobicContact CD1-CG1 4.29Å; P318-I327 HydrophobicContact CG-CG2 4.14Å; E323-I327 VanDerWaalsContact O-CG2 3.3Å; E323-I327 WeakPolarHBondContact O-CG2 3.38Å; E323-I327 PolarHBondContact O-N 3.27Å; Y324-I327 WeakPolarHBondContact O-CG2 3.42Å; I327-D330 PolarHBondContact O-N 3.38Å; I327-F331 WeakPolarHBondContact O-CB 3.36Å; I327-F331 PolarHBondContact O-N 3.03Å
328	T	93.3	Very high	92.4	Very high	91 Å²	91	65.4 Å²	65.4	56%	0.558	34%	0.341	S	S	*	.	H	α-helix	trans	-65.5	-42.6	178	-59.5	0	0	0	0	111.3	Y324 I325 F326 L332	Y324-T328 VanDerWaalsContact O-CB 3.26Å; Y324-T328 WeakPolarHBondContact O-CB 3.45Å; Y324-T328 PolarHBondContact O-N 3.22Å; Y324-T328 VanDerWaalsContact O-N 3.09Å; Y324-T328 PolarHBondContact O-OG1 3.42Å; I325-T328 PolarHBondContact O-N 3.22Å; F326-T328 VanDerWaalsContact C-N 3.32Å; F326-T328 PolarHBondContact O-N 3.29Å; T328-L332 WeakPolarHBondContact O-CB 3.35Å; T328-L332 PolarHBondContact O-N 2.96Å; T328-L332 VanDerWaalsContact O-N 3.09Å
329	I	94.4	Very high	92.6	Very high	104 Å²	104	67.5 Å²	67.5	53%	0.533	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-47	176.2	-67.5	170.2	0	0	0	110.2	I325 F326 F331 L332 V333	I325-I329 HydrophobicContact CG2-CD1 3.78Å; I325-I329 WeakPolarHBondContact O-CG1 3.14Å; I325-I329 PolarHBondContact O-N 3.35Å; F326-I329 PolarHBondContact O-N 2.91Å; I329-F331 VanDerWaalsContact C-N 3.34Å; I329-F331 PolarHBondContact O-N 2.98Å; I329-L332 PolarHBondContact O-N 3.26Å; I329-V333 WeakPolarHBondContact O-CG2 3.27Å; I329-V333 PolarHBondContact O-N 2.92Å
330	D	93.5	Very high	92.8	Very high	13 Å²	13	69.2 Å²	69.2	7%	0.07	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-39.9	-178.8	-166.2	32	0	0	0	111.7	N252 W304 I308 F326 I327 V333 G334	N252-D330 PolarHBondContact ND2-OD1 3.05Å; N252-D330 PolarHBondContact ND2-OD2 2.94Å; N252-D330 PolarHBondContact OD1-OD1 2.84Å; N252-D330 VanDerWaalsContact OD1-OD1 3.06Å; N252-D330 PolarHBondContact OD1-OD2 3.41Å; W304-D330 WeakPolarHBondContact CZ3-OD2 3.31Å; I308-D330 HydrophobicContact CG2-CB 4.25Å; I308-D330 VanDerWaalsContact CG2-OD2 3.27Å; I308-D330 WeakPolarHBondContact CG2-OD2 3.23Å; F326-D330 WeakPolarHBondContact O-CB 3.16Å; F326-D330 PolarHBondContact O-N 3.05Å; I327-D330 PolarHBondContact O-N 3.38Å; D330-V333 PolarHBondContact O-N 3.14Å; D330-G334 PolarHBondContact O-N 2.92Å
331	F	92.4	Very high	92.9	Very high	88 Å²	88	67.6 Å²	67.6	39%	0.386	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-42.2	175.2	-166.8	-100.3	0	0	0	112.1	I327 I329 V333 G334 V335	I327-F331 WeakPolarHBondContact O-CB 3.36Å; I327-F331 PolarHBondContact O-N 3.03Å; I329-F331 VanDerWaalsContact C-N 3.34Å; I329-F331 PolarHBondContact O-N 2.98Å; F331-V333 PolarHBondContact O-N 3.4Å; F331-G334 PolarHBondContact O-N 3.49Å; F331-V335 HydrophobicContact CD1-CG2 4.2Å; F331-V335 HydrophobicContact CE1-CG2 3.95Å; F331-V335 HydrophobicContact CZ-CG2 4.38Å; F331-V335 WeakPolarHBondContact O-CG2 3.35Å; F331-V335 PolarHBondContact O-N 2.99Å
332	L	93.7	Very high	92.8	Very high	112 Å²	112	65.1 Å²	65.1	59%	0.586	36%	0.357	S	S	*	.	H	α-helix	trans	-62.4	-43	175.6	-177.6	65.1	0	0	0	111.6	T328 I329 L336	T328-L332 WeakPolarHBondContact O-CB 3.35Å; T328-L332 PolarHBondContact O-N 2.96Å; T328-L332 VanDerWaalsContact O-N 3.09Å; I329-L332 PolarHBondContact O-N 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.42Å; L332-L336 PolarHBondContact O-N 2.93Å
333	V	93.1	Very high	92.8	Very high	65 Å²	65	64.6 Å²	64.6	39%	0.394	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.3	170.9	0	0	0	0	110.8	I329 D330 F331 L336 I337	I329-V333 WeakPolarHBondContact O-CG2 3.27Å; I329-V333 PolarHBondContact O-N 2.92Å; D330-V333 PolarHBondContact O-N 3.14Å; F331-V333 PolarHBondContact O-N 3.4Å; V333-L336 PolarHBondContact O-N 3.41Å; V333-I337 HydrophobicContact CG1-CD1 3.59Å; V333-I337 HydrophobicContact CG1-CG1 4.3Å; V333-I337 WeakPolarHBondContact O-CG1 3.39Å; V333-I337 PolarHBondContact O-N 3.25Å
334	G	92.6	Very high	92.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58	-47.7	176.5	0	0	0	0	0	113.1	D330 F331 L336 I337 F338	D330-G334 PolarHBondContact O-N 2.92Å; F331-G334 PolarHBondContact O-N 3.49Å; G334-L336 VanDerWaalsContact C-N 3.33Å; G334-L336 PolarHBondContact O-N 3.32Å; G334-I337 PolarHBondContact O-N 2.95Å; G334-F338 WeakPolarHBondContact O-CB 3.3Å; G334-F338 PolarHBondContact O-N 3.4Å
335	V	93.5	Very high	92.7	Very high	61 Å²	61	65.5 Å²	65.5	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-43.6	176.6	172.3	0	0	0	0	111.4	T311 F331 A339	T311-V335 HydrophobicContact CG2-CB 4.48Å; T311-V335 HydrophobicContact CG2-CG2 3.72Å; F331-V335 HydrophobicContact CD1-CG2 4.2Å; F331-V335 HydrophobicContact CE1-CG2 3.95Å; F331-V335 HydrophobicContact CZ-CG2 4.38Å; F331-V335 WeakPolarHBondContact O-CG2 3.35Å; F331-V335 PolarHBondContact O-N 2.99Å; V335-A339 VanDerWaalsContact O-CB 3.32Å; V335-A339 WeakPolarHBondContact O-CB 3.45Å; V335-A339 PolarHBondContact O-N 3.06Å
336	L	93.6	Very high	92.5	Very high	109 Å²	109	61.9 Å²	61.9	57%	0.571	36%	0.361	S	S	*	.	H	α-helix	trans	-67	-42.5	178.9	-68.4	174.1	0	0	0	112.5	L332 V333 G334 T340	L332-L336 WeakPolarHBondContact O-CG 3.42Å; L332-L336 PolarHBondContact O-N 2.93Å; V333-L336 PolarHBondContact O-N 3.41Å; G334-L336 VanDerWaalsContact C-N 3.33Å; G334-L336 PolarHBondContact O-N 3.32Å; L336-T340 WeakPolarHBondContact O-CB 3.46Å; L336-T340 PolarHBondContact O-N 2.73Å; L336-T340 PolarHBondContact O-OG1 3.48Å
337	I	92	Very high	92.4	Very high	40 Å²	40	62.6 Å²	62.6	21%	0.205	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-49.9	176.7	-69.7	168.2	0	0	0	109.7	L248 L309 V333 G334 A339 T340 V341	L248-I337 HydrophobicContact CD1-CD1 4.27Å; L248-I337 HydrophobicContact CD1-CG2 4.24Å; L309-I337 HydrophobicContact CD2-CD1 4.27Å; V333-I337 HydrophobicContact CG1-CD1 3.59Å; V333-I337 HydrophobicContact CG1-CG1 4.3Å; V333-I337 WeakPolarHBondContact O-CG1 3.39Å; V333-I337 PolarHBondContact O-N 3.25Å; G334-I337 PolarHBondContact O-N 2.95Å; I337-A339 PolarHBondContact O-N 2.63Å; I337-T340 WeakPolarHBondContact O-CB 3.49Å; I337-T340 PolarHBondContact O-N 3.46Å; I337-T340 VanDerWaalsContact O-N 3.15Å; I337-V341 HydrophobicContact CG2-CG2 4.38Å; I337-V341 WeakPolarHBondContact O-CG2 3.44Å; I337-V341 PolarHBondContact O-N 3.32Å
338	F	90.3	Very high	92.2	Very high	90 Å²	90	62 Å²	62	40%	0.395	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-44.8	-178.7	-174.1	-105.4	0	0	0	111.9	G334 T340 V341 V342	G334-F338 WeakPolarHBondContact O-CB 3.3Å; G334-F338 PolarHBondContact O-N 3.4Å; F338-T340 VanDerWaalsContact C-N 3.31Å; F338-T340 PolarHBondContact O-N 3.2Å; F338-V341 PolarHBondContact O-N 2.74Å; F338-V342 HydrophobicContact CD1-CG2 4.31Å; F338-V342 HydrophobicContact CE1-CG2 3.91Å; F338-V342 HydrophobicContact CE2-CG2 4.25Å; F338-V342 HydrophobicContact CZ-CG2 3.87Å; F338-V342 WeakPolarHBondContact O-CG2 3.35Å; F338-V342 PolarHBondContact O-N 2.91Å
339	A	93	Very high	92	Very high	60 Å²	60	62 Å²	62	50%	0.496	37%	0.366	S	S	.	.	H	α-helix	trans	-58.8	-41.6	174.8	0	0	0	0	0	112.3	V335 I337 G343	V335-A339 VanDerWaalsContact O-CB 3.32Å; V335-A339 WeakPolarHBondContact O-CB 3.45Å; V335-A339 PolarHBondContact O-N 3.06Å; I337-A339 PolarHBondContact O-N 2.63Å; A339-G343 PolarHBondContact O-N 2.89Å
340	T	91.3	Very high	91.9	Very high	82 Å²	82	61.2 Å²	61.2	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-41.1	177.5	-57.4	0	0	0	0	111.8	L336 I337 F338 G343 N344	L336-T340 WeakPolarHBondContact O-CB 3.46Å; L336-T340 PolarHBondContact O-N 2.73Å; L336-T340 PolarHBondContact O-OG1 3.48Å; I337-T340 WeakPolarHBondContact O-CB 3.49Å; I337-T340 PolarHBondContact O-N 3.46Å; I337-T340 VanDerWaalsContact O-N 3.15Å; F338-T340 VanDerWaalsContact C-N 3.31Å; F338-T340 PolarHBondContact O-N 3.2Å; T340-G343 PolarHBondContact O-N 3.38Å; T340-N344 WeakPolarHBondContact O-CB 3.5Å; T340-N344 VanDerWaalsContact O-CG 3.28Å; T340-N344 PolarHBondContact O-N 3.38Å; T340-N344 PolarHBondContact O-ND2 3.03Å
341	V	91.4	Very high	91.6	Very high	28 Å²	28	65.1 Å²	65.1	17%	0.17	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-50.8	177.3	170.7	0	0	0	0	110.8	L241 I245 I337 F338 G343 N344 V345	L241-V341 HydrophobicContact CD1-CG2 4.48Å; L241-V341 HydrophobicContact CD2-CG1 4.45Å; I245-V341 HydrophobicContact CD1-CB 4.27Å; I245-V341 HydrophobicContact CD1-CG1 3.6Å; I245-V341 HydrophobicContact CD1-CG2 3.58Å; I245-V341 HydrophobicContact CG1-CG2 3.73Å; I337-V341 HydrophobicContact CG2-CG2 4.38Å; I337-V341 WeakPolarHBondContact O-CG2 3.44Å; I337-V341 PolarHBondContact O-N 3.32Å; F338-V341 PolarHBondContact O-N 2.74Å; V341-G343 VanDerWaalsContact C-N 3.31Å; V341-G343 PolarHBondContact O-N 3.46Å; V341-N344 PolarHBondContact O-N 3.01Å; V341-V345 HydrophobicContact CG1-CG2 4.37Å; V341-V345 WeakPolarHBondContact O-CG2 3.46Å; V341-V345 PolarHBondContact O-N 3.02Å
342	V	91	Very high	91.4	Very high	82 Å²	82	66 Å²	66	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-42.2	179.4	174.5	0	0	0	0	110.8	F338 G346	F338-V342 HydrophobicContact CD1-CG2 4.31Å; F338-V342 HydrophobicContact CE1-CG2 3.91Å; F338-V342 HydrophobicContact CE2-CG2 4.25Å; F338-V342 HydrophobicContact CZ-CG2 3.87Å; F338-V342 WeakPolarHBondContact O-CG2 3.35Å; F338-V342 PolarHBondContact O-N 2.91Å; V342-G346 PolarHBondContact O-N 2.87Å
343	G	92.6	Very high	91.2	Very high	45 Å²	45	64.3 Å²	64.3	46%	0.464	39%	0.385	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.5	0	0	0	0	0	113.2	A339 T340 V341 G346 A347	A339-G343 PolarHBondContact O-N 2.89Å; T340-G343 PolarHBondContact O-N 3.38Å; V341-G343 VanDerWaalsContact C-N 3.31Å; V341-G343 PolarHBondContact O-N 3.46Å; G343-G346 PolarHBondContact O-N 3.38Å; G343-A347 WeakPolarHBondContact O-CB 3.5Å; G343-A347 PolarHBondContact O-N 3.47Å
344	N	90.6	Very high	91	Very high	82 Å²	82	63.6 Å²	63.6	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-67.5	-40.4	179.6	-75.3	-24.1	0	0	0	112.8	L241 T340 V341 M348	L241-N344 HydrophobicContact CD2-CB 4.08Å; T340-N344 WeakPolarHBondContact O-CB 3.5Å; T340-N344 VanDerWaalsContact O-CG 3.28Å; T340-N344 PolarHBondContact O-N 3.38Å; T340-N344 PolarHBondContact O-ND2 3.03Å; V341-N344 PolarHBondContact O-N 3.01Å; N344-M348 WeakPolarHBondContact O-CB 3.31Å; N344-M348 PolarHBondContact O-N 2.87Å; N344-M348 VanDerWaalsContact O-N 3.09Å
345	V	91.3	Very high	90.6	Very high	56 Å²	56	65.6 Å²	65.6	34%	0.339	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-44.2	175.1	173.4	0	0	0	0	110.4	L241 V341 M348 I349	L241-V345 HydrophobicContact CD2-CG2 3.72Å; V341-V345 HydrophobicContact CG1-CG2 4.37Å; V341-V345 WeakPolarHBondContact O-CG2 3.46Å; V341-V345 PolarHBondContact O-N 3.02Å; V345-M348 WeakPolarHBondContact O-CB 3.17Å; V345-M348 PolarHBondContact O-N 3.38Å; V345-I349 HydrophobicContact CG1-CD1 3.99Å; V345-I349 WeakPolarHBondContact O-CG1 3.33Å; V345-I349 PolarHBondContact O-N 3.17Å
346	G	91.9	Very high	90.4	Very high	32 Å²	32	70.1 Å²	70.1	33%	0.33	41%	0.413	S	S	.	.	H	α-helix	trans	-57.8	-50.6	175.9	0	0	0	0	0	112.6	V342 G343 M348 I349 T350	V342-G346 PolarHBondContact O-N 2.87Å; G343-G346 PolarHBondContact O-N 3.38Å; G346-M348 PolarHBondContact O-N 3.05Å; G346-I349 PolarHBondContact O-N 3.1Å; G346-T350 PolarHBondContact O-N 3.5Å; G346-T350 VanDerWaalsContact O-N 3.09Å; G346-T350 PolarHBondContact O-OG1 3.12Å
347	A	91.5	Very high	90.2	Very high	47 Å²	47	68.3 Å²	68.3	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-60.4	-30.9	177	0	0	0	0	0	112.9	G343 T350 N351	G343-A347 WeakPolarHBondContact O-CB 3.5Å; G343-A347 PolarHBondContact O-N 3.47Å; A347-T350 VanDerWaalsContact C-OG1 3.32Å; A347-T350 WeakPolarHBondContact CA-OG1 3.46Å; A347-T350 PolarHBondContact O-OG1 3.02Å; A347-N351 WeakPolarHBondContact O-CB 3.41Å; A347-N351 PolarHBondContact O-N 3.1Å; A347-N351 VanDerWaalsContact O-N 3.16Å; A347-N351 PolarHBondContact O-ND2 2.96Å; A347-N351 VanDerWaalsContact O-ND2 3.09Å
348	M	89	Confident	90.1	Very high	15 Å²	15	70.7 Å²	70.7	7%	0.074	42%	0.416	C	S	.	.	H	α-helix	trans	-74.7	-40.6	177.4	-161.3	178.1	-46.7	0	0	112.6	N234 R237 I238 N344 V345 G346 T350 N351 M352	N234-M348 HydrophobicContact CB-CG 4.11Å; N234-M348 HydrophobicContact CB-SD 4.15Å; R237-M348 HydrophobicContact CB-CE 3.36Å; R237-M348 HydrophobicContact CB-SD 3.88Å; I238-M348 HydrophobicContact CB-SD 4.36Å; I238-M348 HydrophobicContact CD1-SD 3.92Å; I238-M348 HydrophobicContact CG1-CE 3.92Å; I238-M348 HydrophobicContact CG1-SD 3.17Å; I238-M348 WeakPolarHBondContact CG1-SD 3.45Å; N344-M348 WeakPolarHBondContact O-CB 3.31Å; N344-M348 PolarHBondContact O-N 2.87Å; N344-M348 VanDerWaalsContact O-N 3.09Å; V345-M348 WeakPolarHBondContact O-CB 3.17Å; V345-M348 PolarHBondContact O-N 3.38Å; G346-M348 PolarHBondContact O-N 3.05Å; M348-T350 VanDerWaalsContact C-N 3.31Å; M348-T350 PolarHBondContact O-N 2.85Å; M348-N351 PolarHBondContact O-N 3.3Å; M348-M352 WeakPolarHBondContact O-CG 3.47Å; M348-M352 PolarHBondContact O-N 2.94Å
349	I	89.8	Confident	90	Very high	91 Å²	91	66.9 Å²	66.9	47%	0.467	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-41.3	175.7	-67.7	168.1	0	0	0	110.5	V345 G346 M352 N353	V345-I349 HydrophobicContact CG1-CD1 3.99Å; V345-I349 WeakPolarHBondContact O-CG1 3.33Å; V345-I349 PolarHBondContact O-N 3.17Å; G346-I349 PolarHBondContact O-N 3.1Å; I349-M352 PolarHBondContact O-N 2.96Å; I349-N353 PolarHBondContact O-N 3.08Å; I349-N353 PolarHBondContact O-ND2 3.47Å
350	T	91.8	Very high	89.9	Confident	88 Å²	88	67.1 Å²	67.1	54%	0.54	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-42.7	176.2	54.7	0	0	0	0	111.6	G346 A347 M348 N353 A354	G346-T350 PolarHBondContact O-N 3.5Å; G346-T350 VanDerWaalsContact O-N 3.09Å; G346-T350 PolarHBondContact O-OG1 3.12Å; A347-T350 VanDerWaalsContact C-OG1 3.32Å; A347-T350 WeakPolarHBondContact CA-OG1 3.46Å; A347-T350 PolarHBondContact O-OG1 3.02Å; M348-T350 VanDerWaalsContact C-N 3.31Å; M348-T350 PolarHBondContact O-N 2.85Å; T350-N353 PolarHBondContact O-N 3.08Å; T350-A354 PolarHBondContact O-N 3.01Å; T350-A354 VanDerWaalsContact O-N 3.08Å
351	N	88	Confident	90	Very high	94 Å²	94	68.2 Å²	68.2	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-37.9	177.3	-73.5	-23.1	0	0	0	112.7	A347 M348 N353 A354	A347-N351 WeakPolarHBondContact O-CB 3.41Å; A347-N351 PolarHBondContact O-N 3.1Å; A347-N351 VanDerWaalsContact O-N 3.16Å; A347-N351 PolarHBondContact O-ND2 2.96Å; A347-N351 VanDerWaalsContact O-ND2 3.09Å; M348-N351 PolarHBondContact O-N 3.3Å; N351-N353 VanDerWaalsContact C-N 3.3Å; N351-N353 PolarHBondContact O-N 3.01Å; N351-A354 WeakPolarHBondContact O-CB 3.27Å; N351-A354 PolarHBondContact O-N 3.3Å
352	M	86.9	Confident	90	Very high	108 Å²	108	71.4 Å²	71.4	53%	0.532	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-35.4	175.8	-77.3	178.7	62.5	0	0	112.7	N234 M348 I349	N234-M352 HydrophobicContact CB-CG 3.72Å; N234-M352 HydrophobicContact CB-SD 3.89Å; N234-M352 WeakPolarHBondContact ND2-CG 3.19Å; M348-M352 WeakPolarHBondContact O-CG 3.47Å; M348-M352 PolarHBondContact O-N 2.94Å; I349-M352 PolarHBondContact O-N 2.96Å
353	N	89.1	Confident	90	Very high	75 Å²	75	68.1 Å²	68.1	40%	0.401	39%	0.385	S	S	.	.	H	α-helix	trans	-92.4	-2.1	-178.3	-71.3	-39.3	0	0	0	113.8	I349 T350 N351 A355 R356 T357	I349-N353 PolarHBondContact O-N 3.08Å; I349-N353 PolarHBondContact O-ND2 3.47Å; T350-N353 PolarHBondContact O-N 3.08Å; N351-N353 VanDerWaalsContact C-N 3.3Å; N351-N353 PolarHBondContact O-N 3.01Å; N353-A355 PolarHBondContact O-N 3.31Å; N353-R356 WeakPolarHBondContact O-CB 3.27Å; N353-R356 PolarHBondContact O-N 3.13Å; N353-T357 PolarHBondContact O-N 2.81Å; N353-T357 PolarHBondContact O-OG1 3.03Å; N353-T357 VanDerWaalsContact O-OG1 3.13Å
354	A	89.5	Confident	90	Very high	51 Å²	51	69.7 Å²	69.7	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-52.4	-50.1	-172	0	0	0	0	0	113.6	T350 N351 R356 T357 E358	T350-A354 PolarHBondContact O-N 3.01Å; T350-A354 VanDerWaalsContact O-N 3.08Å; N351-A354 WeakPolarHBondContact O-CB 3.27Å; N351-A354 PolarHBondContact O-N 3.3Å; A354-R356 VanDerWaalsContact C-N 3.32Å; A354-R356 PolarHBondContact O-N 3.24Å; A354-T357 PolarHBondContact O-N 3.18Å; A354-E358 WeakPolarHBondContact O-CB 3.49Å; A354-E358 PolarHBondContact O-N 3.16Å
355	A	85.5	Confident	90.2	Very high	42 Å²	42	67.9 Å²	67.9	35%	0.347	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-35.4	-179.9	0	0	0	0	0	113.1	N353 F359 L397	N353-A355 PolarHBondContact O-N 3.31Å; A355-F359 WeakPolarHBondContact O-CB 3.37Å; A355-F359 PolarHBondContact O-N 3.38Å; A355-F359 VanDerWaalsContact O-N 3.12Å; A355-L397 HydrophobicContact CB-CD2 4.24Å
356	R	87.8	Confident	90.3	Very high	155 Å²	155	67.4 Å²	67.4	59%	0.585	38%	0.38	S	S	*	.	H	α-helix	trans	-69.6	-45.3	175.6	-177.2	178.3	-179.5	176.9	0.3	110.5	N353 A354 E358 F359 Q360 W391	N353-R356 WeakPolarHBondContact O-CB 3.27Å; N353-R356 PolarHBondContact O-N 3.13Å; A354-R356 VanDerWaalsContact C-N 3.32Å; A354-R356 PolarHBondContact O-N 3.24Å; R356-E358 VanDerWaalsContact C-N 3.33Å; R356-E358 PolarHBondContact O-N 2.85Å; R356-F359 PolarHBondContact O-N 2.86Å; R356-Q360 HydrophobicContact CG-CG 4.4Å; R356-Q360 WeakPolarHBondContact O-CB 3.37Å; R356-Q360 VanDerWaalsContact O-CG 3.24Å; R356-Q360 WeakPolarHBondContact O-CG 3.39Å; R356-Q360 PolarHBondContact O-N 3.38Å; R356-W391 HydrophobicContact CB-CH2 4.02Å; R356-W391 HydrophobicContact CB-CZ2 4.12Å; R356-W391 HydrophobicContact CG-CH2 4.46Å; R356-W391 HydrophobicContact CG-CZ2 4.16Å
357	T	91	Very high	90.4	Very high	71 Å²	71	69.1 Å²	69.1	44%	0.436	38%	0.378	S	S	.	.	H	α-helix	trans	-60.6	-43.2	177.1	-57.2	0	0	0	0	111	N353 A354 Q360 N361	N353-T357 PolarHBondContact O-N 2.81Å; N353-T357 PolarHBondContact O-OG1 3.03Å; N353-T357 VanDerWaalsContact O-OG1 3.13Å; A354-T357 PolarHBondContact O-N 3.18Å; T357-Q360 PolarHBondContact O-N 3.07Å; T357-N361 WeakPolarHBondContact O-CB 3.37Å; T357-N361 PolarHBondContact O-N 3.23Å; T357-N361 PolarHBondContact O-ND2 3.16Å; T357-N361 PolarHBondContact O-OD1 3.41Å
358	E	89.5	Confident	90.6	Very high	90 Å²	90	76.2 Å²	76.2	42%	0.421	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-46	177.1	-167.4	-166	151.2	0	0	112.2	A354 R356 N361 K362	A354-E358 WeakPolarHBondContact O-CB 3.49Å; A354-E358 PolarHBondContact O-N 3.16Å; R356-E358 VanDerWaalsContact C-N 3.33Å; R356-E358 PolarHBondContact O-N 2.85Å; E358-N361 PolarHBondContact O-N 3.31Å; E358-K362 WeakPolarHBondContact O-CG 3.48Å; E358-K362 PolarHBondContact O-N 3.46Å; E358-K362 VanDerWaalsContact OE1-CE 3.23Å; E358-K362 WeakPolarHBondContact OE1-CE 3.5Å; E358-K362 IonicContact OE1-NZ 2.84Å; E358-K362 PolarHBondContact OE1-NZ 3.02Å
359	F	88.3	Confident	90.9	Very high	11 Å²	11	82.4 Å²	82.4	5%	0.048	42%	0.418	C	S	.	.	H	α-helix	trans	-62.7	-43.8	176.4	179.9	-91.7	0	0	0	112.2	A355 R356 K362 M363 F387 W391	A355-F359 WeakPolarHBondContact O-CB 3.37Å; A355-F359 PolarHBondContact O-N 3.38Å; A355-F359 VanDerWaalsContact O-N 3.12Å; R356-F359 PolarHBondContact O-N 2.86Å; F359-K362 PolarHBondContact O-N 2.99Å; F359-M363 PolarHBondContact O-N 2.8Å; F359-F387 AromaticContact CE2-CD1 3.91Å; F359-F387 HydrophobicContact CE2-CD1 3.91Å; F359-F387 HydrophobicContact CZ-CB 4.07Å; F359-F387 AromaticContact CZ-CD1 3.83Å; F359-F387 HydrophobicContact CZ-CD1 3.83Å; F359-F387 HydrophobicContact CZ-CG 4.46Å; F359-F387 WeakPolarHBondContact CZ-O 3.32Å; F359-W391 HydrophobicContact CB-CE3 3.62Å; F359-W391 HydrophobicContact CB-CH2 4.3Å; F359-W391 HydrophobicContact CB-CZ3 3.47Å; F359-W391 VanDerWaalsContact CB-CZ3 3.47Å; F359-W391 HydrophobicContact CD1-CB 4.33Å; F359-W391 AromaticContact CD1-CD2 3.9Å; F359-W391 HydrophobicContact CD1-CD2 3.9Å; F359-W391 AromaticContact CD1-CE3 3.71Å; F359-W391 HydrophobicContact CD1-CE3 3.71Å; F359-W391 HydrophobicContact CD1-CG 4.18Å; F359-W391 HydrophobicContact CD1-CZ3 4.35Å; F359-W391 HydrophobicContact CD2-CB 4.45Å; F359-W391 HydrophobicContact CD2-CD2 4.37Å; F359-W391 AromaticContact CD2-CE3 3.56Å; F359-W391 HydrophobicContact CD2-CE3 3.56Å; F359-W391 HydrophobicContact CD2-CZ3 4.23Å; F359-W391 HydrophobicContact CE1-CB 3.77Å; F359-W391 HydrophobicContact CE1-CD2 4.23Å; F359-W391 HydrophobicContact CE1-CE3 4.32Å; F359-W391 HydrophobicContact CE1-CG 4.02Å; F359-W391 HydrophobicContact CE2-CB 3.9Å; F359-W391 HydrophobicContact CE2-CE3 4.17Å; F359-W391 AromaticContact CG-CD2 3.99Å; F359-W391 HydrophobicContact CG-CD2 3.99Å; F359-W391 AromaticContact CG-CE3 3.3Å; F359-W391 HydrophobicContact CG-CE3 3.3Å; F359-W391 AromaticContact CG-CZ3 3.76Å; F359-W391 HydrophobicContact CG-CZ3 3.76Å; F359-W391 HydrophobicContact CZ-CB 3.55Å; F359-W391 HydrophobicContact CZ-CG 4.26Å
360	Q	90.6	Very high	91.1	Very high	65 Å²	65	78.5 Å²	78.5	30%	0.304	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176	-69.7	-66.2	-42.8	0	0	111.1	R356 T357 K362 M363 D364	R356-Q360 HydrophobicContact CG-CG 4.4Å; R356-Q360 WeakPolarHBondContact O-CB 3.37Å; R356-Q360 VanDerWaalsContact O-CG 3.24Å; R356-Q360 WeakPolarHBondContact O-CG 3.39Å; R356-Q360 PolarHBondContact O-N 3.38Å; T357-Q360 PolarHBondContact O-N 3.07Å; Q360-K362 VanDerWaalsContact C-N 3.33Å; Q360-K362 PolarHBondContact O-N 3.15Å; Q360-M363 PolarHBondContact O-N 3.44Å; Q360-M363 VanDerWaalsContact O-N 3.15Å; Q360-D364 WeakPolarHBondContact O-CB 3.42Å; Q360-D364 VanDerWaalsContact O-CG 3.31Å; Q360-D364 PolarHBondContact O-N 3.05Å
361	N	92.6	Very high	91.2	Very high	104 Å²	104	81.4 Å²	81.4	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-59.1	-41.9	175.9	-70.1	-15	0	0	0	112.2	T357 E358 G365	T357-N361 WeakPolarHBondContact O-CB 3.37Å; T357-N361 PolarHBondContact O-N 3.23Å; T357-N361 PolarHBondContact O-ND2 3.16Å; T357-N361 PolarHBondContact O-OD1 3.41Å; E358-N361 PolarHBondContact O-N 3.31Å; N361-G365 PolarHBondContact O-N 2.98Å
362	K	90.9	Very high	91.6	Very high	96 Å²	96	84.2 Å²	84.2	42%	0.417	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-47.2	174.4	-72.4	177.5	-174.6	170	0	111	E358 F359 Q360 G365 V366	E358-K362 WeakPolarHBondContact O-CG 3.48Å; E358-K362 PolarHBondContact O-N 3.46Å; E358-K362 VanDerWaalsContact OE1-CE 3.23Å; E358-K362 WeakPolarHBondContact OE1-CE 3.5Å; E358-K362 IonicContact OE1-NZ 2.84Å; E358-K362 PolarHBondContact OE1-NZ 3.02Å; F359-K362 PolarHBondContact O-N 2.99Å; Q360-K362 VanDerWaalsContact C-N 3.33Å; Q360-K362 PolarHBondContact O-N 3.15Å; K362-G365 PolarHBondContact O-N 2.94Å; K362-V366 WeakPolarHBondContact O-CG2 3.43Å; K362-V366 PolarHBondContact O-N 3.19Å; K362-V366 VanDerWaalsContact O-N 3.12Å
363	M	90.8	Very high	92	Very high	13 Å²	13	86.4 Å²	86.4	6%	0.064	42%	0.416	C	S	.	.	H	α-helix	trans	-62.8	-44.2	178.6	179.5	178.6	56.4	0	0	112.3	F359 Q360 G365 V366 K367	F359-M363 PolarHBondContact O-N 2.8Å; Q360-M363 PolarHBondContact O-N 3.44Å; Q360-M363 VanDerWaalsContact O-N 3.15Å; M363-G365 VanDerWaalsContact C-N 3.32Å; M363-G365 PolarHBondContact O-N 3.21Å; M363-V366 PolarHBondContact O-N 2.93Å; M363-V366 VanDerWaalsContact O-N 3.16Å; M363-K367 HydrophobicContact CG-CD 4.37Å; M363-K367 WeakPolarHBondContact O-CG 3.45Å; M363-K367 PolarHBondContact O-N 2.84Å
364	D	94	Very high	92.2	Very high	78 Å²	78	92 Å²	92	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-66.7	-36	179.8	-70.1	-17.5	0	0	0	111.4	Q360 V366 K367 R368	Q360-D364 WeakPolarHBondContact O-CB 3.42Å; Q360-D364 VanDerWaalsContact O-CG 3.31Å; Q360-D364 PolarHBondContact O-N 3.05Å; D364-V366 VanDerWaalsContact C-N 3.35Å; D364-V366 PolarHBondContact O-N 3.5Å; D364-K367 PolarHBondContact O-N 2.6Å; D364-K367 IonicContact OD1-NZ 3.28Å; D364-R368 WeakPolarHBondContact O-CB 3.43Å; D364-R368 PolarHBondContact O-N 2.75Å
365	G	94.9	Very high	92.5	Very high	43 Å²	43	91.4 Å²	91.4	44%	0.443	43%	0.428	S	S	.	.	H	α-helix	trans	-58.5	-44	169.6	0	0	0	0	0	112.7	N361 K362 M363 R368 Y369	N361-G365 PolarHBondContact O-N 2.98Å; K362-G365 PolarHBondContact O-N 2.94Å; M363-G365 VanDerWaalsContact C-N 3.32Å; M363-G365 PolarHBondContact O-N 3.21Å; G365-R368 PolarHBondContact O-N 2.88Å; G365-Y369 PolarHBondContact O-N 3.21Å
366	V	93.8	Very high	92.9	Very high	46 Å²	46	94.5 Å²	94.5	28%	0.279	44%	0.439	S	S	.	.	H	α-helix	trans	-68.3	-40.7	177.2	177.8	0	0	0	0	111.6	K362 M363 D364 Y369 M370 V383 F387	K362-V366 WeakPolarHBondContact O-CG2 3.43Å; K362-V366 PolarHBondContact O-N 3.19Å; K362-V366 VanDerWaalsContact O-N 3.12Å; M363-V366 PolarHBondContact O-N 2.93Å; M363-V366 VanDerWaalsContact O-N 3.16Å; D364-V366 VanDerWaalsContact C-N 3.35Å; D364-V366 PolarHBondContact O-N 3.5Å; V366-Y369 WeakPolarHBondContact O-CB 3.31Å; V366-Y369 PolarHBondContact O-N 3.43Å; V366-M370 HydrophobicContact CG1-CE 4.08Å; V366-M370 HydrophobicContact CG1-SD 4.41Å; V366-M370 WeakPolarHBondContact O-CG 3.33Å; V366-M370 PolarHBondContact O-N 2.99Å; V366-V383 HydrophobicContact CG1-CG1 3.83Å; V366-F387 HydrophobicContact CB-CE2 4.37Å; V366-F387 HydrophobicContact CG1-CE2 4.11Å; V366-F387 HydrophobicContact CG2-CE2 4.08Å; V366-F387 HydrophobicContact CG2-CZ 3.83Å
367	K	93.7	Very high	93.2	Very high	69 Å²	69	93.5 Å²	93.5	30%	0.3	44%	0.439	S	S	.	.	H	α-helix	trans	-59.8	-47.2	174.5	-73.5	175	-176.6	165.8	0	111.7	M363 D364 Y369 M370 E371	M363-K367 HydrophobicContact CG-CD 4.37Å; M363-K367 WeakPolarHBondContact O-CG 3.45Å; M363-K367 PolarHBondContact O-N 2.84Å; D364-K367 PolarHBondContact O-N 2.6Å; D364-K367 IonicContact OD1-NZ 3.28Å; K367-Y369 VanDerWaalsContact C-N 3.27Å; K367-Y369 PolarHBondContact O-N 3.46Å; K367-M370 HydrophobicContact CG-CE 4.18Å; K367-M370 PolarHBondContact O-N 3.47Å; K367-M370 VanDerWaalsContact O-N 3.14Å; K367-E371 PolarHBondContact O-N 3.28Å
368	R	94.8	Very high	93.3	Very high	196 Å²	196	96.9 Å²	96.9	74%	0.74	45%	0.45	S	S	*	.	H	α-helix	trans	-59.7	-38.9	176.8	-170.5	175.1	-175.1	168.6	1.9	111.9	D364 G365 F372	D364-R368 WeakPolarHBondContact O-CB 3.43Å; D364-R368 PolarHBondContact O-N 2.75Å; G365-R368 PolarHBondContact O-N 2.88Å; R368-F372 WeakPolarHBondContact O-CB 3.37Å; R368-F372 PolarHBondContact O-N 2.93Å
369	Y	95.2	Very high	93.5	Very high	144 Å²	144	96.7 Å²	96.7	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-64.2	-44.5	174.6	179.1	-96.2	0	0	0	112.5	G365 V366 K367 F372 R373	G365-Y369 PolarHBondContact O-N 3.21Å; V366-Y369 WeakPolarHBondContact O-CB 3.31Å; V366-Y369 PolarHBondContact O-N 3.43Å; K367-Y369 VanDerWaalsContact C-N 3.27Å; K367-Y369 PolarHBondContact O-N 3.46Å; Y369-F372 PolarHBondContact O-N 3.34Å; Y369-R373 HydrophobicContact CD1-CG 4.49Å; Y369-R373 HydrophobicContact CD2-CG 4.43Å; Y369-R373 HydrophobicContact CE1-CG 4.05Å; Y369-R373 HydrophobicContact CE2-CG 3.98Å; Y369-R373 WeakPolarHBondContact O-CB 3.37Å; Y369-R373 WeakPolarHBondContact O-CG 3.47Å; Y369-R373 PolarHBondContact O-N 3.24Å
370	M	94.8	Very high	93.7	Very high	10 Å²	10	97.8 Å²	97.8	5%	0.049	46%	0.456	C	S	.	.	H	α-helix	trans	-64.8	-39.5	178.7	-70.5	-174.1	-63.7	0	0	112.3	V366 K367 R373 K374 V375 E380 V383	V366-M370 HydrophobicContact CG1-CE 4.08Å; V366-M370 HydrophobicContact CG1-SD 4.41Å; V366-M370 WeakPolarHBondContact O-CG 3.33Å; V366-M370 PolarHBondContact O-N 2.99Å; K367-M370 HydrophobicContact CG-CE 4.18Å; K367-M370 PolarHBondContact O-N 3.47Å; K367-M370 VanDerWaalsContact O-N 3.14Å; M370-R373 PolarHBondContact O-N 3.46Å; M370-K374 PolarHBondContact O-N 3.47Å; M370-V375 HydrophobicContact CB-CB 4.11Å; M370-V375 HydrophobicContact CB-CG2 4.15Å; M370-V375 HydrophobicContact CG-CB 4.41Å; M370-V375 HydrophobicContact CG-CG2 4.24Å; M370-V375 PolarHBondContact O-N 3.34Å; M370-E380 HydrophobicContact CE-CB 4.45Å; M370-E380 HydrophobicContact CE-CG 3.62Å; M370-E380 HydrophobicContact SD-CB 4.18Å; M370-E380 HydrophobicContact SD-CG 3.95Å; M370-V383 HydrophobicContact CE-CB 4.41Å; M370-V383 HydrophobicContact CE-CG1 4.21Å; M370-V383 HydrophobicContact SD-CB 3.96Å; M370-V383 HydrophobicContact SD-CG1 4.07Å; M370-V383 HydrophobicContact SD-CG2 4.1Å
371	E	93.7	Very high	93.8	Very high	149 Å²	149	99.3 Å²	99.3	70%	0.696	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-49.4	174.6	-175.4	175.5	-158.5	0	0	111.2	K367 R373 K374	K367-E371 PolarHBondContact O-N 3.28Å; E371-R373 VanDerWaalsContact C-N 3.28Å; E371-R373 PolarHBondContact O-N 3.39Å; E371-K374 PolarHBondContact O-N 3.49Å
372	F	95.4	Very high	93.9	Very high	152 Å²	152	100 Å²	100	67%	0.667	46%	0.461	S	S	*	.	H	α-helix	trans	-58.6	-39.5	177.9	179	-104.2	0	0	0	112.6	R368 Y369 K374	R368-F372 WeakPolarHBondContact O-CB 3.37Å; R368-F372 PolarHBondContact O-N 2.93Å; Y369-F372 PolarHBondContact O-N 3.34Å; F372-K374 VanDerWaalsContact C-N 3.31Å
373	R	95.9	Very high	94	Very high	154 Å²	154	97.3 Å²	97.3	58%	0.581	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	2.2	177.8	-65.5	-60.1	-170.5	-176	-0.9	114	Y369 M370 E371 V375	Y369-R373 HydrophobicContact CD1-CG 4.49Å; Y369-R373 HydrophobicContact CD2-CG 4.43Å; Y369-R373 HydrophobicContact CE1-CG 4.05Å; Y369-R373 HydrophobicContact CE2-CG 3.98Å; Y369-R373 WeakPolarHBondContact O-CB 3.37Å; Y369-R373 WeakPolarHBondContact O-CG 3.47Å; Y369-R373 PolarHBondContact O-N 3.24Å; M370-R373 PolarHBondContact O-N 3.46Å; E371-R373 VanDerWaalsContact C-N 3.28Å; E371-R373 PolarHBondContact O-N 3.39Å; R373-V375 VanDerWaalsContact C-N 3.28Å; R373-V375 HydrophobicContact CB-CG2 4.1Å; R373-V375 PolarHBondContact O-N 2.96Å
374	K	94	Very high	94.1	Very high	193 Å²	193	98.3 Å²	98.3	84%	0.839	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	46.1	-178.7	-58.6	-178.5	-179.3	179.6	0	112.6	M370 E371 F372	M370-K374 PolarHBondContact O-N 3.47Å; E371-K374 PolarHBondContact O-N 3.49Å; F372-K374 VanDerWaalsContact C-N 3.31Å
375	V	94.8	Very high	94	Very high	38 Å²	38	101.6 Å²	101.6	23%	0.23	46%	0.464	C	S	.	.			trans	-63.8	144.4	179	175.4	0	0	0	0	110.4	M370 R373 K377 L379	M370-V375 HydrophobicContact CB-CB 4.11Å; M370-V375 HydrophobicContact CB-CG2 4.15Å; M370-V375 HydrophobicContact CG-CB 4.41Å; M370-V375 HydrophobicContact CG-CG2 4.24Å; M370-V375 PolarHBondContact O-N 3.34Å; R373-V375 VanDerWaalsContact C-N 3.28Å; R373-V375 HydrophobicContact CB-CG2 4.1Å; R373-V375 PolarHBondContact O-N 2.96Å; V375-K377 PolarHBondContact O-N 2.88Å; V375-L379 HydrophobicContact CG1-CB 3.82Å; V375-L379 HydrophobicContact CG1-CD2 3.68Å; V375-L379 HydrophobicContact CG1-CG 4.01Å
376	N	94.8	Very high	93.8	Very high	108 Å²	108	103.6 Å²	103.6	58%	0.578	46%	0.458	S	S	*	.			trans	-57.7	136.5	175.9	-175.9	7	0	0	0	111.1	E378 L379 E380	N376-E378 PolarHBondContact O-N 3.41Å; N376-E378 VanDerWaalsContact O-N 3.14Å; N376-E378 PolarHBondContact OD1-N 2.84Å; N376-L379 PolarHBondContact O-N 2.96Å; N376-E380 PolarHBondContact O-N 3.19Å
377	K	92.8	Very high	93.6	Very high	134 Å²	134	103 Å²	103	58%	0.583	45%	0.452	S	S	*	.	H	α-helix	trans	-56.8	-31.1	-178.3	-70.3	-72.8	162.7	-161.3	0	113.2	V375 E380 L381	V375-K377 PolarHBondContact O-N 2.88Å; K377-E380 WeakPolarHBondContact CD-OE2 3.35Å; K377-E380 WeakPolarHBondContact CE-OE2 3.3Å; K377-E380 IonicContact NZ-OE1 3.69Å; K377-E380 PolarHBondContact NZ-OE1 2.9Å; K377-E380 IonicContact NZ-OE2 3.63Å; K377-E380 PolarHBondContact NZ-OE2 3.17Å; K377-E380 PolarHBondContact O-N 3.49Å; K377-L381 WeakPolarHBondContact O-CB 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.41Å; K377-L381 PolarHBondContact O-N 3.21Å
378	E	93.8	Very high	93.4	Very high	142 Å²	142	103.3 Å²	103.3	66%	0.664	46%	0.457	S	S	*	.	H	α-helix	trans	-64	-44.1	174.9	-172.6	179.7	-177.5	0	0	112.2	N376 R382	N376-E378 PolarHBondContact O-N 3.41Å; N376-E378 VanDerWaalsContact O-N 3.14Å; N376-E378 PolarHBondContact OD1-N 2.84Å; E378-R382 WeakPolarHBondContact O-CB 3.43Å; E378-R382 PolarHBondContact O-N 2.98Å
379	L	93.1	Very high	93.1	Very high	86 Å²	86	95.4 Å²	95.4	45%	0.45	43%	0.427	S	S	.	.	H	α-helix	trans	-69.3	-39.2	177.1	-173.4	63.9	0	0	0	110.8	V375 N376 L381 R382 V383	V375-L379 HydrophobicContact CG1-CB 3.82Å; V375-L379 HydrophobicContact CG1-CD2 3.68Å; V375-L379 HydrophobicContact CG1-CG 4.01Å; N376-L379 PolarHBondContact O-N 2.96Å; L379-L381 PolarHBondContact O-N 3.31Å; L379-R382 WeakPolarHBondContact O-CB 3.45Å; L379-R382 PolarHBondContact O-N 2.9Å; L379-R382 VanDerWaalsContact O-N 3.14Å; L379-V383 WeakPolarHBondContact O-CG2 3.42Å; L379-V383 PolarHBondContact O-N 3.36Å
380	E	93.2	Very high	92.7	Very high	34 Å²	34	89.5 Å²	89.5	16%	0.159	41%	0.405	C	S	.	.	H	α-helix	trans	-56.8	-49.8	174.5	-169.7	-176.6	154.1	0	0	111.7	M370 N376 K377 R382 V383 I384	M370-E380 HydrophobicContact CE-CB 4.45Å; M370-E380 HydrophobicContact CE-CG 3.62Å; M370-E380 HydrophobicContact SD-CB 4.18Å; M370-E380 HydrophobicContact SD-CG 3.95Å; N376-E380 PolarHBondContact O-N 3.19Å; K377-E380 WeakPolarHBondContact CD-OE2 3.35Å; K377-E380 WeakPolarHBondContact CE-OE2 3.3Å; K377-E380 IonicContact NZ-OE1 3.69Å; K377-E380 PolarHBondContact NZ-OE1 2.9Å; K377-E380 IonicContact NZ-OE2 3.63Å; K377-E380 PolarHBondContact NZ-OE2 3.17Å; K377-E380 PolarHBondContact O-N 3.49Å; E380-R382 VanDerWaalsContact C-N 3.27Å; E380-R382 PolarHBondContact O-N 3.26Å; E380-V383 PolarHBondContact O-N 3.47Å; E380-I384 HydrophobicContact CG-CD1 4.23Å; E380-I384 WeakPolarHBondContact O-CG1 3.37Å; E380-I384 PolarHBondContact O-N 3.23Å
381	L	93.6	Very high	92.3	Very high	97 Å²	97	92.9 Å²	92.9	51%	0.508	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-31	176.4	-73.5	172.6	0	0	0	112.9	K377 L379 R385	K377-L381 WeakPolarHBondContact O-CB 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.41Å; K377-L381 PolarHBondContact O-N 3.21Å; L379-L381 PolarHBondContact O-N 3.31Å; L381-R385 WeakPolarHBondContact O-CB 3.41Å; L381-R385 WeakPolarHBondContact O-CG 3.47Å; L381-R385 PolarHBondContact O-N 3.02Å; L381-R385 VanDerWaalsContact O-N 3.15Å; L381-R385 PolarHBondContact O-NE 3.43Å
382	R	93.4	Very high	92	Very high	119 Å²	119	90.6 Å²	90.6	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-70.7	-42.1	175.6	-178.5	175.5	161.1	-155.4	-15.5	111.4	E378 L379 E380 R385 W386 D452	E378-R382 WeakPolarHBondContact O-CB 3.43Å; E378-R382 PolarHBondContact O-N 2.98Å; L379-R382 WeakPolarHBondContact O-CB 3.45Å; L379-R382 PolarHBondContact O-N 2.9Å; L379-R382 VanDerWaalsContact O-N 3.14Å; E380-R382 VanDerWaalsContact C-N 3.27Å; E380-R382 PolarHBondContact O-N 3.26Å; R382-R385 PolarHBondContact O-N 3.11Å; R382-W386 PolarHBondContact O-N 3.5Å; R382-D452 IonicContact CZ-OD1 3.57Å; R382-D452 IonicContact NE-OD1 2.89Å; R382-D452 IonicContact NH1-OD1 2.84Å; R382-D452 IonicContact NH2-OD1 3.44Å; R382-D452 PolarHBondContact NH2-OD1 3.31Å; R382-D452 IonicContact NH2-OD2 3.62Å; R382-D452 PolarHBondContact NH2-OD2 3.02Å
383	V	93.1	Very high	91.3	Very high	38 Å²	38	86 Å²	86	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-63	-46.6	175.6	172.8	0	0	0	0	110.7	V366 M370 L379 E380 R385 W386 F387	V366-V383 HydrophobicContact CG1-CG1 3.83Å; M370-V383 HydrophobicContact CE-CB 4.41Å; M370-V383 HydrophobicContact CE-CG1 4.21Å; M370-V383 HydrophobicContact SD-CB 3.96Å; M370-V383 HydrophobicContact SD-CG1 4.07Å; M370-V383 HydrophobicContact SD-CG2 4.1Å; L379-V383 WeakPolarHBondContact O-CG2 3.42Å; L379-V383 PolarHBondContact O-N 3.36Å; E380-V383 PolarHBondContact O-N 3.47Å; V383-R385 PolarHBondContact O-N 2.94Å; V383-W386 WeakPolarHBondContact O-CB 3.43Å; V383-W386 PolarHBondContact O-N 2.79Å; V383-W386 VanDerWaalsContact O-N 3.17Å; V383-F387 HydrophobicContact CG1-CD2 3.78Å; V383-F387 HydrophobicContact CG1-CE2 3.85Å; V383-F387 WeakPolarHBondContact O-CD2 3.35Å; V383-F387 PolarHBondContact O-N 3.04Å
384	I	92.7	Very high	90.3	Very high	35 Å²	35	85.7 Å²	85.7	18%	0.179	40%	0.399	C	S	.	.	H	α-helix	trans	-59.5	-45.8	178	-65.7	166.8	0	0	0	110.9	E380 W386 F387 D388	E380-I384 HydrophobicContact CG-CD1 4.23Å; E380-I384 WeakPolarHBondContact O-CG1 3.37Å; E380-I384 PolarHBondContact O-N 3.23Å; I384-W386 VanDerWaalsContact C-N 3.3Å; I384-W386 PolarHBondContact O-N 3.23Å; I384-F387 PolarHBondContact O-N 3.02Å; I384-F387 VanDerWaalsContact O-N 3.17Å; I384-D388 PolarHBondContact O-N 3.29Å
385	R	92.3	Very high	88.9	Confident	147 Å²	147	77.6 Å²	77.6	56%	0.555	36%	0.364	S	S	*	.	H	α-helix	trans	-60.4	-37.4	176.4	-81	-175.7	-87.3	177.4	-8.6	113.2	L381 R382 V383 Y389	L381-R385 WeakPolarHBondContact O-CB 3.41Å; L381-R385 WeakPolarHBondContact O-CG 3.47Å; L381-R385 PolarHBondContact O-N 3.02Å; L381-R385 VanDerWaalsContact O-N 3.15Å; L381-R385 PolarHBondContact O-NE 3.43Å; R382-R385 PolarHBondContact O-N 3.11Å; V383-R385 PolarHBondContact O-N 2.94Å; R385-Y389 PolarHBondContact O-N 3.2Å
386	W	91	Very high	87.1	Confident	85 Å²	85	77.9 Å²	77.9	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-42.8	175.2	178.6	85.6	0	0	0	111.6	R382 V383 I384 Y389 L390 V447	R382-W386 PolarHBondContact O-N 3.5Å; V383-W386 WeakPolarHBondContact O-CB 3.43Å; V383-W386 PolarHBondContact O-N 2.79Å; V383-W386 VanDerWaalsContact O-N 3.17Å; I384-W386 VanDerWaalsContact C-N 3.3Å; I384-W386 PolarHBondContact O-N 3.23Å; W386-Y389 WeakPolarHBondContact O-CB 2.98Å; W386-Y389 PolarHBondContact O-N 3.06Å; W386-L390 HydrophobicContact CD2-CD1 3.88Å; W386-L390 HydrophobicContact CD2-CG 4.36Å; W386-L390 HydrophobicContact CE3-CD1 3.7Å; W386-L390 HydrophobicContact CH2-CD1 3.34Å; W386-L390 HydrophobicContact CZ2-CD1 3.52Å; W386-L390 HydrophobicContact CZ2-CG 4.35Å; W386-L390 HydrophobicContact CZ3-CD1 3.42Å; W386-L390 VanDerWaalsContact CZ3-CD1 3.42Å; W386-L390 WeakPolarHBondContact O-CG 3.34Å; W386-L390 PolarHBondContact O-N 3.41Å; W386-V447 PolarHBondContact NE1-O 3.45Å
387	F	89.8	Confident	85.4	Confident	32 Å²	32	75.9 Å²	75.9	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-44.1	172.8	-91.6	-83.9	0	0	0	112.1	F359 V366 V383 I384 Y389 L390 W391	F359-F387 AromaticContact CE2-CD1 3.91Å; F359-F387 HydrophobicContact CE2-CD1 3.91Å; F359-F387 HydrophobicContact CZ-CB 4.07Å; F359-F387 AromaticContact CZ-CD1 3.83Å; F359-F387 HydrophobicContact CZ-CD1 3.83Å; F359-F387 HydrophobicContact CZ-CG 4.46Å; F359-F387 WeakPolarHBondContact CZ-O 3.32Å; V366-F387 HydrophobicContact CB-CE2 4.37Å; V366-F387 HydrophobicContact CG1-CE2 4.11Å; V366-F387 HydrophobicContact CG2-CE2 4.08Å; V366-F387 HydrophobicContact CG2-CZ 3.83Å; V383-F387 HydrophobicContact CG1-CD2 3.78Å; V383-F387 HydrophobicContact CG1-CE2 3.85Å; V383-F387 WeakPolarHBondContact O-CD2 3.35Å; V383-F387 PolarHBondContact O-N 3.04Å; I384-F387 PolarHBondContact O-N 3.02Å; I384-F387 VanDerWaalsContact O-N 3.17Å; F387-Y389 VanDerWaalsContact C-N 3.3Å; F387-Y389 PolarHBondContact O-N 3.26Å; F387-L390 PolarHBondContact O-N 3.33Å; F387-L390 VanDerWaalsContact O-N 3.17Å; F387-W391 PolarHBondContact O-N 3.23Å
388	D	88.7	Confident	84	Confident	76 Å²	76	74.2 Å²	74.2	41%	0.406	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-40.1	176.4	-70.8	-26.5	0	0	0	111.8	I384 W391 T392	I384-D388 PolarHBondContact O-N 3.29Å; D388-W391 PolarHBondContact O-N 3.24Å; D388-T392 WeakPolarHBondContact O-CB 3.31Å; D388-T392 VanDerWaalsContact O-CG2 3.32Å; D388-T392 WeakPolarHBondContact O-CG2 3.35Å; D388-T392 PolarHBondContact O-N 3.25Å; D388-T392 PolarHBondContact O-OG1 3.29Å
389	Y	88.7	Confident	82.5	Confident	31 Å²	31	73.3 Å²	73.3	12%	0.122	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-45.1	173.7	178.7	-91.5	0	0	0	112	R385 W386 F387 W391 T392 N393 V447 Y518	R385-Y389 PolarHBondContact O-N 3.2Å; W386-Y389 WeakPolarHBondContact O-CB 2.98Å; W386-Y389 PolarHBondContact O-N 3.06Å; F387-Y389 VanDerWaalsContact C-N 3.3Å; F387-Y389 PolarHBondContact O-N 3.26Å; Y389-W391 PolarHBondContact O-N 2.7Å; Y389-T392 WeakPolarHBondContact CA-OG1 3.46Å; Y389-T392 PolarHBondContact O-N 2.91Å; Y389-T392 PolarHBondContact O-OG1 3.3Å; Y389-N393 VanDerWaalsContact CD2-ND2 3.27Å; Y389-N393 WeakPolarHBondContact CD2-ND2 3.45Å; Y389-N393 VanDerWaalsContact CE1-ND2 3.26Å; Y389-N393 WeakPolarHBondContact CE1-ND2 3.38Å; Y389-N393 WeakPolarHBondContact CE2-ND2 3.36Å; Y389-N393 WeakPolarHBondContact O-CB 3.45Å; Y389-N393 PolarHBondContact O-N 3.24Å; Y389-N393 PolarHBondContact O-ND2 3.01Å; Y389-N393 VanDerWaalsContact O-ND2 3.14Å; Y389-N393 PolarHBondContact OH-ND2 3.04Å; Y389-V447 HydrophobicContact CD1-CG1 3.93Å; Y389-V447 HydrophobicContact CE1-CG1 3.57Å; Y389-Y518 AromaticContact CD1-CD1 3.65Å; Y389-Y518 HydrophobicContact CD1-CD1 3.65Å; Y389-Y518 HydrophobicContact CD1-CE1 4.04Å; Y389-Y518 HydrophobicContact CD1-CG 4.15Å; Y389-Y518 AromaticContact CD2-CD1 3.67Å; Y389-Y518 HydrophobicContact CD2-CD1 3.67Å; Y389-Y518 AromaticContact CD2-CD2 3.53Å; Y389-Y518 HydrophobicContact CD2-CD2 3.53Å; Y389-Y518 AromaticContact CD2-CE1 3.94Å; Y389-Y518 HydrophobicContact CD2-CE1 3.94Å; Y389-Y518 AromaticContact CD2-CE2 3.79Å; Y389-Y518 HydrophobicContact CD2-CE2 3.79Å; Y389-Y518 AromaticContact CD2-CG 3.46Å; Y389-Y518 HydrophobicContact CD2-CG 3.46Å; Y389-Y518 VanDerWaalsContact CD2-CG 3.46Å; Y389-Y518 AromaticContact CD2-CZ 3.99Å; Y389-Y518 AromaticContact CE1-CD1 3.86Å; Y389-Y518 HydrophobicContact CE1-CD1 3.86Å; Y389-Y518 HydrophobicContact CE1-CG 4.05Å; Y389-Y518 AromaticContact CE2-CD1 3.85Å; Y389-Y518 HydrophobicContact CE2-CD1 3.85Å; Y389-Y518 AromaticContact CE2-CD2 3.59Å; Y389-Y518 HydrophobicContact CE2-CD2 3.59Å; Y389-Y518 HydrophobicContact CE2-CE2 4.32Å; Y389-Y518 AromaticContact CE2-CG 3.3Å; Y389-Y518 HydrophobicContact CE2-CG 3.3Å; Y389-Y518 AromaticContact CG-CD1 3.56Å; Y389-Y518 HydrophobicContact CG-CD1 3.56Å; Y389-Y518 HydrophobicContact CG-CD2 4.24Å; Y389-Y518 AromaticContact CG-CE1 3.63Å; Y389-Y518 HydrophobicContact CG-CE1 3.63Å; Y389-Y518 HydrophobicContact CG-CE2 4.29Å; Y389-Y518 AromaticContact CG-CG 3.88Å; Y389-Y518 HydrophobicContact CG-CG 3.88Å; Y389-Y518 AromaticContact CG-CZ 4Å; Y389-Y518 AromaticContact CZ-CD1 3.94Å; Y389-Y518 AromaticContact CZ-CG 3.62Å; Y389-Y518 WeakPolarHBondContact OH-CB 3.28Å
390	L	88	Confident	81.2	Confident	19 Å²	19	74.1 Å²	74.1	10%	0.099	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-41.4	177.6	-72.8	178.3	0	0	0	112.5	W386 F387 K394 Q395 V447	W386-L390 HydrophobicContact CD2-CD1 3.88Å; W386-L390 HydrophobicContact CD2-CG 4.36Å; W386-L390 HydrophobicContact CE3-CD1 3.7Å; W386-L390 HydrophobicContact CH2-CD1 3.34Å; W386-L390 HydrophobicContact CZ2-CD1 3.52Å; W386-L390 HydrophobicContact CZ2-CG 4.35Å; W386-L390 HydrophobicContact CZ3-CD1 3.42Å; W386-L390 VanDerWaalsContact CZ3-CD1 3.42Å; W386-L390 WeakPolarHBondContact O-CG 3.34Å; W386-L390 PolarHBondContact O-N 3.41Å; F387-L390 PolarHBondContact O-N 3.33Å; F387-L390 VanDerWaalsContact O-N 3.17Å; L390-K394 PolarHBondContact O-N 3.07Å; L390-K394 VanDerWaalsContact O-N 3.11Å; L390-Q395 HydrophobicContact CD2-CB 4.21Å; L390-Q395 PolarHBondContact O-N 3.41Å; L390-V447 HydrophobicContact CD2-CB 4.28Å; L390-V447 HydrophobicContact CD2-CG1 4.43Å; L390-V447 HydrophobicContact CD2-CG2 4.01Å
391	W	86	Confident	80	Confident	81 Å²	81	76.3 Å²	76.3	31%	0.307	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-47.8	177.8	179.9	-111.8	0	0	0	112.1	R356 F359 F387 D388 Y389 N393 K394	R356-W391 HydrophobicContact CB-CH2 4.02Å; R356-W391 HydrophobicContact CB-CZ2 4.12Å; R356-W391 HydrophobicContact CG-CH2 4.46Å; R356-W391 HydrophobicContact CG-CZ2 4.16Å; F359-W391 HydrophobicContact CB-CE3 3.62Å; F359-W391 HydrophobicContact CB-CH2 4.3Å; F359-W391 HydrophobicContact CB-CZ3 3.47Å; F359-W391 VanDerWaalsContact CB-CZ3 3.47Å; F359-W391 HydrophobicContact CD1-CB 4.33Å; F359-W391 AromaticContact CD1-CD2 3.9Å; F359-W391 HydrophobicContact CD1-CD2 3.9Å; F359-W391 AromaticContact CD1-CE3 3.71Å; F359-W391 HydrophobicContact CD1-CE3 3.71Å; F359-W391 HydrophobicContact CD1-CG 4.18Å; F359-W391 HydrophobicContact CD1-CZ3 4.35Å; F359-W391 HydrophobicContact CD2-CB 4.45Å; F359-W391 HydrophobicContact CD2-CD2 4.37Å; F359-W391 AromaticContact CD2-CE3 3.56Å; F359-W391 HydrophobicContact CD2-CE3 3.56Å; F359-W391 HydrophobicContact CD2-CZ3 4.23Å; F359-W391 HydrophobicContact CE1-CB 3.77Å; F359-W391 HydrophobicContact CE1-CD2 4.23Å; F359-W391 HydrophobicContact CE1-CE3 4.32Å; F359-W391 HydrophobicContact CE1-CG 4.02Å; F359-W391 HydrophobicContact CE2-CB 3.9Å; F359-W391 HydrophobicContact CE2-CE3 4.17Å; F359-W391 AromaticContact CG-CD2 3.99Å; F359-W391 HydrophobicContact CG-CD2 3.99Å; F359-W391 AromaticContact CG-CE3 3.3Å; F359-W391 HydrophobicContact CG-CE3 3.3Å; F359-W391 AromaticContact CG-CZ3 3.76Å; F359-W391 HydrophobicContact CG-CZ3 3.76Å; F359-W391 HydrophobicContact CZ-CB 3.55Å; F359-W391 HydrophobicContact CZ-CG 4.26Å; F387-W391 PolarHBondContact O-N 3.23Å; D388-W391 PolarHBondContact O-N 3.24Å; Y389-W391 PolarHBondContact O-N 2.7Å; W391-N393 VanDerWaalsContact C-N 3.28Å; W391-N393 PolarHBondContact O-N 3.11Å; W391-K394 PolarHBondContact O-N 3.47Å; W391-K394 VanDerWaalsContact O-N 3.16Å
392	T	86.6	Confident	78.9	Confident	101 Å²	101	74.3 Å²	74.3	62%	0.62	36%	0.36	S	S	*	.	H	α-helix	trans	-64.8	-32.9	-178.5	49	0	0	0	0	112.5	D388 Y389	D388-T392 WeakPolarHBondContact O-CB 3.31Å; D388-T392 VanDerWaalsContact O-CG2 3.32Å; D388-T392 WeakPolarHBondContact O-CG2 3.35Å; D388-T392 PolarHBondContact O-N 3.25Å; D388-T392 PolarHBondContact O-OG1 3.29Å; Y389-T392 WeakPolarHBondContact CA-OG1 3.46Å; Y389-T392 PolarHBondContact O-N 2.91Å; Y389-T392 PolarHBondContact O-OG1 3.3Å
393	N	81.8	Confident	78	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.294	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.7	176.6	-65.3	-46.9	0	0	0	114.6	Y389 W391 Q395	Y389-N393 VanDerWaalsContact CD2-ND2 3.27Å; Y389-N393 WeakPolarHBondContact CD2-ND2 3.45Å; Y389-N393 VanDerWaalsContact CE1-ND2 3.26Å; Y389-N393 WeakPolarHBondContact CE1-ND2 3.38Å; Y389-N393 WeakPolarHBondContact CE2-ND2 3.36Å; Y389-N393 WeakPolarHBondContact O-CB 3.45Å; Y389-N393 PolarHBondContact O-N 3.24Å; Y389-N393 PolarHBondContact O-ND2 3.01Å; Y389-N393 VanDerWaalsContact O-ND2 3.14Å; Y389-N393 PolarHBondContact OH-ND2 3.04Å; W391-N393 VanDerWaalsContact C-N 3.28Å; W391-N393 PolarHBondContact O-N 3.11Å; N393-Q395 HydrophobicContact CB-CG 4.45Å; N393-Q395 PolarHBondContact O-N 3.49Å
394	K	73.1	Confident	77.4	Confident	148 Å²	148	76 Å²	76	64%	0.643	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	14.7	177.4	-57.8	-176.5	179.4	-179	0	115.9	L390 W391 S396 L397	L390-K394 PolarHBondContact O-N 3.07Å; L390-K394 VanDerWaalsContact O-N 3.11Å; W391-K394 PolarHBondContact O-N 3.47Å; W391-K394 VanDerWaalsContact O-N 3.16Å; K394-S396 VanDerWaalsContact C-N 3.27Å; K394-S396 PolarHBondContact O-N 2.95Å; K394-L397 PolarHBondContact O-N 3.28Å
395	Q	64.6	Low	77	Confident	23 Å²	23	77 Å²	77	11%	0.107	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-66.5	-29.1	-177	-79.4	170.8	-38.6	0	0	112.5	L390 N393 L397 E398 L445 D520	L390-Q395 HydrophobicContact CD2-CB 4.21Å; L390-Q395 PolarHBondContact O-N 3.41Å; N393-Q395 HydrophobicContact CB-CG 4.45Å; N393-Q395 PolarHBondContact O-N 3.49Å; Q395-L397 PolarHBondContact O-N 3.3Å; Q395-E398 PolarHBondContact O-N 3.29Å; Q395-L445 HydrophobicContact CG-CD2 4.44Å; Q395-D520 PolarHBondContact NE2-OD1 2.77Å; Q395-D520 PolarHBondContact NE2-OD2 2.99Å
396	S	58.7	Low	76.7	Confident	44 Å²	44	74 Å²	74	31%	0.308	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-70.5	-10.3	-178	64.6	0	0	0	0	114.8	K394	K394-S396 VanDerWaalsContact C-N 3.27Å; K394-S396 PolarHBondContact O-N 2.95Å
397	L	59.3	Low	76	Confident	67 Å²	67	74.9 Å²	74.9	35%	0.351	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-97.3	-14.2	-176.3	-67.5	166.7	0	0	0	113.1	A355 K394 Q395 S401	A355-L397 HydrophobicContact CB-CD2 4.24Å; K394-L397 PolarHBondContact O-N 3.28Å; Q395-L397 PolarHBondContact O-N 3.3Å; L397-S401 PolarHBondContact O-OG 2.93Å
398	E	62.3	Low	75.5	Confident	99 Å²	99	78.3 Å²	78.3	46%	0.463	42%	0.42	S	S	.	.	H	α-helix	trans	-78.8	-39.9	-170.1	-69	-173.7	165.5	0	0	112.9	Q395 S401 L402	Q395-E398 PolarHBondContact O-N 3.29Å; E398-S401 PolarHBondContact O-N 2.79Å; E398-L402 HydrophobicContact CB-CD1 4.49Å; E398-L402 WeakPolarHBondContact O-CB 3.49Å; E398-L402 WeakPolarHBondContact O-CG 3.42Å; E398-L402 PolarHBondContact O-N 2.94Å
399	E	62.7	Low	75.3	Confident	122 Å²	122	78.2 Å²	78.2	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-66.7	-47	-169.4	-66.2	-168	165.6	0	0	113.5	S401 L402 N403	E399-S401 PolarHBondContact O-N 3.42Å; E399-L402 PolarHBondContact O-N 3.38Å; E399-N403 PolarHBondContact O-N 3.26Å; E399-N403 PolarHBondContact O-ND2 3.38Å
400	D	66	Low	74.9	Confident	104 Å²	104	79.7 Å²	79.7	56%	0.556	43%	0.426	S	S	*	.	H	α-helix	trans	-68.1	-38	-179.7	-69.8	-27.3	0	0	0	111.7	L402 N403	D400-L402 VanDerWaalsContact C-N 3.34Å; D400-L402 PolarHBondContact O-N 3.25Å; D400-N403 PolarHBondContact O-N 3.36Å
401	S	68	Low	74.3	Confident	79 Å²	79	79.4 Å²	79.4	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-65.8	-36.4	178.5	-55.8	0	0	0	0	112.1	L397 E398 E399 N403 A404	L397-S401 PolarHBondContact O-OG 2.93Å; E398-S401 PolarHBondContact O-N 2.79Å; E399-S401 PolarHBondContact O-N 3.42Å; S401-N403 VanDerWaalsContact C-N 3.3Å; S401-N403 PolarHBondContact O-N 2.96Å; S401-A404 PolarHBondContact O-N 2.98Å
402	L	70.6	Confident	74.1	Confident	55 Å²	55	79.1 Å²	79.1	29%	0.288	43%	0.429	S	S	.	.	H	α-helix	trans	-71.7	-24.7	179.3	-73.2	170.2	0	0	0	112.9	E398 E399 D400 A404 L405 I413	E398-L402 HydrophobicContact CB-CD1 4.49Å; E398-L402 WeakPolarHBondContact O-CB 3.49Å; E398-L402 WeakPolarHBondContact O-CG 3.42Å; E398-L402 PolarHBondContact O-N 2.94Å; E399-L402 PolarHBondContact O-N 3.38Å; D400-L402 VanDerWaalsContact C-N 3.34Å; D400-L402 PolarHBondContact O-N 3.25Å; L402-A404 VanDerWaalsContact C-N 3.28Å; L402-A404 PolarHBondContact O-N 3.46Å; L402-L405 HydrophobicContact CD2-CD1 4.07Å; L402-L405 PolarHBondContact O-N 3.35Å; L402-I413 HydrophobicContact CD2-CG2 4.26Å
403	N	74.6	Confident	73.9	Confident	104 Å²	104	77.5 Å²	77.5	56%	0.556	42%	0.416	S	S	*	.	H	α-helix	trans	-75	-16.4	178.6	-67.9	-28.7	0	0	0	113.3	E399 D400 S401 L405 K410	E399-N403 PolarHBondContact O-N 3.26Å; E399-N403 PolarHBondContact O-ND2 3.38Å; D400-N403 PolarHBondContact O-N 3.36Å; S401-N403 VanDerWaalsContact C-N 3.3Å; S401-N403 PolarHBondContact O-N 2.96Å; N403-L405 VanDerWaalsContact C-N 3.28Å; N403-K410 PolarHBondContact OD1-NZ 3.45Å; N403-K410 VanDerWaalsContact OD1-NZ 3.08Å
404	A	80.8	Confident	73.7	Confident	90 Å²	90	75.6 Å²	75.6	74%	0.744	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.7	173.2	0	0	0	0	0	113.3	S401 L402	S401-A404 PolarHBondContact O-N 2.98Å; L402-A404 VanDerWaalsContact C-N 3.28Å; L402-A404 PolarHBondContact O-N 3.46Å
405	L	82.4	Confident	73.9	Confident	56 Å²	56	70.5 Å²	70.5	29%	0.293	39%	0.387	S	S	.	.	S	Bend	trans	-88	143.9	-177.5	-71.1	160.9	0	0	0	111.2	L402 N403 L409 I413	L402-L405 HydrophobicContact CD2-CD1 4.07Å; L402-L405 PolarHBondContact O-N 3.35Å; N403-L405 VanDerWaalsContact C-N 3.28Å; L405-L409 HydrophobicContact CB-CB 4.45Å; L405-L409 HydrophobicContact CD2-CB 4.32Å; L405-L409 HydrophobicContact CD2-CD1 4.11Å; L405-I413 HydrophobicContact CD1-CD1 3.6Å
406	P	86.1	Confident	74.6	Confident	82 Å²	82	77.2 Å²	77.2	53%	0.532	42%	0.418	S	S	.	.			trans	-56.5	144.2	167.9	-22.4	31.7	0	0	0	111.7	K408 L409 K410	P406-K408 PolarHBondContact O-N 2.79Å; P406-L409 PolarHBondContact O-N 2.88Å; P406-K410 PolarHBondContact O-N 3.42Å
407	D	77.9	Confident	75.4	Confident	104 Å²	104	78.5 Å²	78.5	56%	0.556	42%	0.423	S	S	*	.	H	α-helix	trans	-48.9	-34	-178.8	-66.7	-20.4	0	0	0	113.5	K410 A411	D407-K410 PolarHBondContact O-N 3.33Å; D407-A411 VanDerWaalsContact O-CB 3.3Å; D407-A411 WeakPolarHBondContact O-CB 3.32Å; D407-A411 PolarHBondContact O-N 3.24Å
408	K	78.5	Confident	76.1	Confident	104 Å²	104	76.7 Å²	76.7	45%	0.452	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-48.7	176.3	-174.3	-176.3	174.5	-168.4	0	112.4	L27 F31 P406 A411 E412	L27-K408 HydrophobicContact CD2-CD 4.13Å; F31-K408 HydrophobicContact CE2-CG 4.29Å; F31-K408 HydrophobicContact CZ-CG 4.41Å; P406-K408 PolarHBondContact O-N 2.79Å; K408-A411 PolarHBondContact O-N 2.9Å; K408-E412 WeakPolarHBondContact CE-OE1 3.47Å; K408-E412 WeakPolarHBondContact O-CG 3.4Å; K408-E412 PolarHBondContact O-N 2.87Å
409	L	83.9	Confident	76.8	Confident	74 Å²	74	73.5 Å²	73.5	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-71.2	-36.3	178.5	-69.8	-179.2	0	0	0	110.9	L405 P406 A411 E412 I413	L405-L409 HydrophobicContact CB-CB 4.45Å; L405-L409 HydrophobicContact CD2-CB 4.32Å; L405-L409 HydrophobicContact CD2-CD1 4.11Å; P406-L409 PolarHBondContact O-N 2.88Å; L409-A411 VanDerWaalsContact C-N 3.32Å; L409-A411 PolarHBondContact O-N 3.4Å; L409-E412 PolarHBondContact O-N 2.9Å; L409-I413 WeakPolarHBondContact O-CB 3.48Å; L409-I413 VanDerWaalsContact O-CG1 3.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.3Å; L409-I413 PolarHBondContact O-N 3.15Å
410	K	80.1	Confident	77.4	Confident	62 Å²	62	72.4 Å²	72.4	27%	0.27	40%	0.396	S	S	.	.	H	α-helix	trans	-57.8	-45.6	171.8	-172.6	171.9	-179.3	172.3	0	111	N403 P406 D407 A414 L441	N403-K410 PolarHBondContact OD1-NZ 3.45Å; N403-K410 VanDerWaalsContact OD1-NZ 3.08Å; P406-K410 PolarHBondContact O-N 3.42Å; D407-K410 PolarHBondContact O-N 3.33Å; K410-A414 WeakPolarHBondContact O-CB 3.26Å; K410-A414 PolarHBondContact O-N 3.18Å; K410-L441 HydrophobicContact CG-CD2 4.36Å
411	A	77.1	Confident	77.8	Confident	13 Å²	13	68.4 Å²	68.4	11%	0.107	38%	0.376	C	S	.	.	H	α-helix	trans	-62.9	-47.3	175.2	0	0	0	0	0	112.1	D407 K408 L409 I413 A414 I415 V437 L441	D407-A411 VanDerWaalsContact O-CB 3.3Å; D407-A411 WeakPolarHBondContact O-CB 3.32Å; D407-A411 PolarHBondContact O-N 3.24Å; K408-A411 PolarHBondContact O-N 2.9Å; L409-A411 VanDerWaalsContact C-N 3.32Å; L409-A411 PolarHBondContact O-N 3.4Å; A411-I413 PolarHBondContact O-N 3.33Å; A411-A414 PolarHBondContact O-N 3.3Å; A411-I415 WeakPolarHBondContact O-CB 3.3Å; A411-I415 WeakPolarHBondContact O-CD1 3.48Å; A411-I415 WeakPolarHBondContact O-CG1 3.3Å; A411-I415 PolarHBondContact O-N 2.92Å; A411-V437 HydrophobicContact CB-CG1 4.49Å; A411-L441 HydrophobicContact CB-CD1 4.14Å; A411-L441 HydrophobicContact CB-CD2 3.89Å; A411-L441 HydrophobicContact CB-CG 4.28Å
412	E	80.2	Confident	78.3	Confident	75 Å²	75	64.7 Å²	64.7	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-45.5	178.9	-75.2	177.8	-156.6	0	0	112.1	F31 K408 L409 H416	F31-E412 HydrophobicContact CE1-CG 4.08Å; F31-E412 HydrophobicContact CZ-CG 4Å; F31-E412 WeakPolarHBondContact CZ-OE1 3.46Å; K408-E412 WeakPolarHBondContact CE-OE1 3.47Å; K408-E412 WeakPolarHBondContact O-CG 3.4Å; K408-E412 PolarHBondContact O-N 2.87Å; L409-E412 PolarHBondContact O-N 2.9Å; E412-H416 PolarHBondContact O-N 3.13Å
413	I	83.3	Confident	78.6	Confident	68 Å²	68	65.9 Å²	65.9	35%	0.349	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-48.4	176.3	-68.5	165.3	0	0	0	110.2	L402 L405 L409 A411 I415 H416 V417	L402-I413 HydrophobicContact CD2-CG2 4.26Å; L405-I413 HydrophobicContact CD1-CD1 3.6Å; L409-I413 WeakPolarHBondContact O-CB 3.48Å; L409-I413 VanDerWaalsContact O-CG1 3.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.3Å; L409-I413 PolarHBondContact O-N 3.15Å; A411-I413 PolarHBondContact O-N 3.33Å; I413-I415 VanDerWaalsContact C-N 3.28Å; I413-I415 PolarHBondContact O-N 3.04Å; I413-H416 PolarHBondContact O-N 3.47Å; I413-V417 HydrophobicContact CG2-CG2 4.01Å; I413-V417 VanDerWaalsContact O-CG2 3.26Å; I413-V417 WeakPolarHBondContact O-CG2 3.45Å; I413-V417 PolarHBondContact O-N 2.85Å
414	A	77.6	Confident	78.7	Confident	14 Å²	14	67.9 Å²	67.9	12%	0.116	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-35.2	-176.7	0	0	0	0	0	111.4	K410 A411 H418 V440	K410-A414 WeakPolarHBondContact O-CB 3.26Å; K410-A414 PolarHBondContact O-N 3.18Å; A411-A414 PolarHBondContact O-N 3.3Å; A414-H418 WeakPolarHBondContact O-CB 3.34Å; A414-H418 PolarHBondContact O-N 3.35Å; A414-V440 HydrophobicContact CB-CG1 3.16Å; A414-V440 WeakPolarHBondContact O-CG1 3.35Å
415	I	77.8	Confident	78.5	Confident	41 Å²	41	63.6 Å²	63.6	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-56.1	168.3	-66.5	160.2	0	0	0	108.7	A411 I413 V417 H418 F419 V437	A411-I415 WeakPolarHBondContact O-CB 3.3Å; A411-I415 WeakPolarHBondContact O-CD1 3.48Å; A411-I415 WeakPolarHBondContact O-CG1 3.3Å; A411-I415 PolarHBondContact O-N 2.92Å; I413-I415 VanDerWaalsContact C-N 3.28Å; I413-I415 PolarHBondContact O-N 3.04Å; I415-V417 PolarHBondContact O-N 3.26Å; I415-V417 VanDerWaalsContact O-N 3.14Å; I415-H418 PolarHBondContact O-N 3.02Å; I415-F419 HydrophobicContact CG2-CB 4.02Å; I415-F419 HydrophobicContact CG2-CD2 4.05Å; I415-F419 HydrophobicContact CG2-CG 4.26Å; I415-F419 WeakPolarHBondContact O-CA 3.24Å; I415-F419 WeakPolarHBondContact O-CB 3.5Å; I415-F419 PolarHBondContact O-N 2.67Å; I415-V437 HydrophobicContact CD1-CB 4.26Å; I415-V437 HydrophobicContact CD1-CG1 3.94Å; I415-V437 HydrophobicContact CD1-CG2 3.5Å; I415-V437 VanDerWaalsContact CD1-CG2 3.5Å; I415-V437 HydrophobicContact CG1-CG1 4.48Å; I415-V437 HydrophobicContact CG1-CG2 3.96Å
416	H	78.5	Confident	77.9	Confident	164 Å²	164	63.4 Å²	63.4	76%	0.759	32%	0.321	S	S	*	.	H	α-helix	trans	-58.5	-33.6	-177.1	-169.8	-76.3	0	0	0	113.5	E412 I413	E412-H416 PolarHBondContact O-N 3.13Å; I413-H416 PolarHBondContact O-N 3.47Å
417	V	75.4	Confident	77.3	Confident	71 Å²	71	59.9 Å²	59.9	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-85.8	-31.4	-178	-177.2	0	0	0	0	112.5	I413 I415	I413-V417 HydrophobicContact CG2-CG2 4.01Å; I413-V417 VanDerWaalsContact O-CG2 3.26Å; I413-V417 WeakPolarHBondContact O-CG2 3.45Å; I413-V417 PolarHBondContact O-N 2.85Å; I415-V417 PolarHBondContact O-N 3.26Å; I415-V417 VanDerWaalsContact O-N 3.14Å
418	H	74.9	Confident	77.1	Confident	30 Å²	30	55.2 Å²	55.2	14%	0.139	27%	0.273	C	S	.	.	H	α-helix	trans	-113.3	-14.3	-170.9	-54.7	-26.7	0	0	0	114.2	A414 I415 D420 T421 L422 V440 F522	A414-H418 WeakPolarHBondContact O-CB 3.34Å; A414-H418 PolarHBondContact O-N 3.35Å; I415-H418 PolarHBondContact O-N 3.02Å; H418-D420 PolarHBondContact O-N 2.84Å; H418-T421 PolarHBondContact O-N 2.99Å; H418-T421 VanDerWaalsContact O-N 3.16Å; H418-L422 HydrophobicContact CB-CD1 4.35Å; H418-L422 WeakPolarHBondContact O-CG 3.34Å; H418-L422 PolarHBondContact O-N 3.43Å; H418-V440 HydrophobicContact CB-CG2 4.38Å; H418-F522 HydrophobicContact CB-CZ 4.37Å; H418-F522 AromaticContact CD2-CE1 4Å; H418-F522 AromaticContact CD2-CZ 3.98Å; H418-F522 AromaticContact CE1-CE1 3.66Å; H418-F522 AromaticContact CE1-CZ 3.4Å; H418-F522 VanDerWaalsContact CE1-CZ 3.4Å; H418-F522 WeakPolarHBondContact CE1-CZ 3.42Å; H418-F522 AromaticContact CG-CZ 3.62Å; H418-F522 AromaticContact ND1-CE1 3.91Å; H418-F522 AromaticContact ND1-CZ 3.23Å; H418-F522 WeakPolarHBondContact ND1-CZ 3.44Å; H418-F522 AromaticContact NE2-CE1 3.71Å; H418-F522 AromaticContact NE2-CZ 3.85Å
419	F	75.8	Confident	76.8	Confident	31 Å²	31	56.2 Å²	56.2	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-43.6	-174.4	-173.3	-96.5	0	0	0	112.2	Y35 I415 T421 L422 Q423 L436	Y35-F419 HydrophobicContact CE1-CZ 4.17Å; Y35-F419 AromaticContact CZ-CZ 3.87Å; Y35-F419 WeakPolarHBondContact OH-CE1 3.4Å; Y35-F419 VanDerWaalsContact OH-CZ 3.31Å; Y35-F419 WeakPolarHBondContact OH-CZ 3.22Å; I415-F419 HydrophobicContact CG2-CB 4.02Å; I415-F419 HydrophobicContact CG2-CD2 4.05Å; I415-F419 HydrophobicContact CG2-CG 4.26Å; I415-F419 WeakPolarHBondContact O-CA 3.24Å; I415-F419 WeakPolarHBondContact O-CB 3.5Å; I415-F419 PolarHBondContact O-N 2.67Å; F419-T421 VanDerWaalsContact C-N 3.32Å; F419-T421 PolarHBondContact O-N 3.33Å; F419-L422 PolarHBondContact O-N 3.29Å; F419-Q423 HydrophobicContact CE1-CB 4.49Å; F419-Q423 VanDerWaalsContact O-CB 3.28Å; F419-Q423 WeakPolarHBondContact O-CB 3.33Å; F419-Q423 PolarHBondContact O-N 3.22Å; F419-L436 HydrophobicContact CD2-CD1 4.33Å; F419-L436 HydrophobicContact CE2-CD1 3.76Å; F419-L436 HydrophobicContact CZ-CD1 4.48Å
420	D	75.9	Confident	76.2	Confident	100 Å²	100	59.1 Å²	59.1	54%	0.535	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-40.5	177.6	-74.8	-6.2	0	0	0	112.3	H418 R424	H418-D420 PolarHBondContact O-N 2.84Å; D420-R424 WeakPolarHBondContact O-CD 3.39Å; D420-R424 WeakPolarHBondContact O-CG 3.46Å; D420-R424 PolarHBondContact O-N 3.2Å
421	T	75.2	Confident	75.8	Confident	20 Å²	20	56.9 Å²	56.9	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-43.3	177.1	-51	0	0	0	0	110.7	H418 F419 R424 V425 K468 F522	H418-T421 PolarHBondContact O-N 2.99Å; H418-T421 VanDerWaalsContact O-N 3.16Å; F419-T421 VanDerWaalsContact C-N 3.32Å; F419-T421 PolarHBondContact O-N 3.33Å; T421-R424 PolarHBondContact O-N 2.87Å; T421-V425 PolarHBondContact O-N 3.42Å; T421-K468 HydrophobicContact CG2-CB 4.37Å; T421-K468 HydrophobicContact CG2-CG 4.32Å; T421-F522 HydrophobicContact CG2-CE2 4.36Å
422	L	76.7	Confident	75.9	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-73.7	-32.7	-179.1	-68.8	173.9	0	0	0	113.1	H418 F419 R424 V425 F428 L436 V440 L443 I466	H418-L422 HydrophobicContact CB-CD1 4.35Å; H418-L422 WeakPolarHBondContact O-CG 3.34Å; H418-L422 PolarHBondContact O-N 3.43Å; F419-L422 PolarHBondContact O-N 3.29Å; L422-R424 VanDerWaalsContact C-N 3.27Å; L422-R424 PolarHBondContact O-N 3.3Å; L422-V425 VanDerWaalsContact O-CB 3.27Å; L422-V425 WeakPolarHBondContact O-CB 3.23Å; L422-V425 PolarHBondContact O-N 3.21Å; L422-V425 VanDerWaalsContact O-N 3.17Å; L422-F428 HydrophobicContact CD2-CD2 4.31Å; L422-F428 HydrophobicContact CD2-CE2 4.42Å; L422-L436 HydrophobicContact CB-CD2 3.84Å; L422-L436 HydrophobicContact CD1-CD2 4.32Å; L422-V440 HydrophobicContact CD1-CB 4.46Å; L422-V440 HydrophobicContact CD1-CG2 3.15Å; L422-L443 HydrophobicContact CD1-CD1 3.89Å; L422-L443 HydrophobicContact CD2-CD1 3.87Å; L422-L443 HydrophobicContact CG-CD1 4.34Å; L422-I466 HydrophobicContact CD2-CD1 3.49Å; L422-I466 VanDerWaalsContact CD2-CD1 3.49Å
423	Q	77.2	Confident	75.7	Confident	80 Å²	80	58.1 Å²	58.1	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-71.7	-25.7	174.7	-164.9	-175.6	-6.3	0	0	111.6	F419 V425 K429	F419-Q423 HydrophobicContact CE1-CB 4.49Å; F419-Q423 VanDerWaalsContact O-CB 3.28Å; F419-Q423 WeakPolarHBondContact O-CB 3.33Å; F419-Q423 PolarHBondContact O-N 3.22Å; Q423-V425 VanDerWaalsContact C-N 3.26Å; Q423-V425 PolarHBondContact O-N 3.04Å; Q423-K429 VanDerWaalsContact O-CE 3.29Å; Q423-K429 WeakPolarHBondContact O-CE 3.36Å; Q423-K429 WeakPolarHBondContact O-CG 3.44Å
424	R	76.4	Confident	75.4	Confident	145 Å²	145	54.9 Å²	54.9	55%	0.547	28%	0.278	S	S	.	.	H	α-helix	trans	-68.9	-27.1	170.8	-72.5	169.7	-166.3	-173.3	5.6	112.2	D420 T421 L422 S426 K429	D420-R424 WeakPolarHBondContact O-CD 3.39Å; D420-R424 WeakPolarHBondContact O-CG 3.46Å; D420-R424 PolarHBondContact O-N 3.2Å; T421-R424 PolarHBondContact O-N 2.87Å; L422-R424 VanDerWaalsContact C-N 3.27Å; L422-R424 PolarHBondContact O-N 3.3Å; R424-S426 PolarHBondContact O-N 3.33Å; R424-S426 VanDerWaalsContact O-N 3.13Å; R424-K429 WeakPolarHBondContact O-CE 3.23Å
425	V	76.8	Confident	75.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-65.7	112.4	176.7	172.5	0	0	0	0	109.8	T421 L422 Q423 I427 F428 K429 I466 G489 V491	T421-V425 PolarHBondContact O-N 3.42Å; L422-V425 VanDerWaalsContact O-CB 3.27Å; L422-V425 WeakPolarHBondContact O-CB 3.23Å; L422-V425 PolarHBondContact O-N 3.21Å; L422-V425 VanDerWaalsContact O-N 3.17Å; Q423-V425 VanDerWaalsContact C-N 3.26Å; Q423-V425 PolarHBondContact O-N 3.04Å; V425-I427 HydrophobicContact CG1-CB 4.04Å; V425-I427 HydrophobicContact CG1-CG1 4.33Å; V425-I427 PolarHBondContact O-N 2.93Å; V425-F428 HydrophobicContact CB-CD2 3.79Å; V425-F428 HydrophobicContact CB-CE2 4.5Å; V425-F428 HydrophobicContact CG1-CD2 3.45Å; V425-F428 VanDerWaalsContact CG1-CD2 3.45Å; V425-F428 HydrophobicContact CG1-CE2 3.87Å; V425-F428 HydrophobicContact CG1-CG 4.23Å; V425-F428 HydrophobicContact CG2-CD2 4.4Å; V425-F428 PolarHBondContact O-N 2.68Å; V425-K429 PolarHBondContact O-N 3.24Å; V425-I466 HydrophobicContact CG2-CG2 3.54Å; V425-G489 WeakPolarHBondContact CG2-O 3.37Å; V425-V491 HydrophobicContact CB-CG2 4.19Å; V425-V491 HydrophobicContact CG1-CG2 3.27Å; V425-V491 HydrophobicContact CG2-CG2 3.86Å
426	S	71.3	Confident	75.7	Confident	53 Å²	53	52.7 Å²	52.7	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.5	-178.6	55.3	0	0	0	0	115.3	R424 R546	R424-S426 PolarHBondContact O-N 3.33Å; R424-S426 VanDerWaalsContact O-N 3.13Å; S426-R546 VanDerWaalsContact OG-CZ 3.27Å; S426-R546 PolarHBondContact OG-NH1 3.3Å; S426-R546 PolarHBondContact OG-NH2 2.89Å
427	I	71.7	Confident	75.7	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.041	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-31.3	178	-52.5	173.6	0	0	0	111.3	V425 C431 V491 L543	V425-I427 HydrophobicContact CG1-CB 4.04Å; V425-I427 HydrophobicContact CG1-CG1 4.33Å; V425-I427 PolarHBondContact O-N 2.93Å; I427-C431 PolarHBondContact O-SG 2.88Å; I427-V491 HydrophobicContact CD1-CB 4.17Å; I427-V491 HydrophobicContact CD1-CG1 4.19Å; I427-V491 HydrophobicContact CD1-CG2 4.36Å; I427-L543 HydrophobicContact CG2-CB 4.4Å; I427-L543 HydrophobicContact CG2-CD1 3.59Å; I427-L543 HydrophobicContact CG2-CG 3.97Å
428	F	74.3	Confident	75.9	Confident	5 Å²	5	44 Å²	44	2%	0.022	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.7	-175.6	-55.8	-54.2	0	0	0	114	L422 V425 D430 C431 L436 L439 M464 I466	L422-F428 HydrophobicContact CD2-CD2 4.31Å; L422-F428 HydrophobicContact CD2-CE2 4.42Å; V425-F428 HydrophobicContact CB-CD2 3.79Å; V425-F428 HydrophobicContact CB-CE2 4.5Å; V425-F428 HydrophobicContact CG1-CD2 3.45Å; V425-F428 VanDerWaalsContact CG1-CD2 3.45Å; V425-F428 HydrophobicContact CG1-CE2 3.87Å; V425-F428 HydrophobicContact CG1-CG 4.23Å; V425-F428 HydrophobicContact CG2-CD2 4.4Å; V425-F428 PolarHBondContact O-N 2.68Å; F428-D430 VanDerWaalsContact C-N 3.3Å; F428-D430 PolarHBondContact O-N 3.33Å; F428-C431 PolarHBondContact O-N 2.57Å; F428-L436 HydrophobicContact CB-CD2 3.68Å; F428-L436 HydrophobicContact CG-CD2 4.1Å; F428-L439 HydrophobicContact CD1-CD1 4.05Å; F428-L439 HydrophobicContact CE1-CD1 3.48Å; F428-L439 VanDerWaalsContact CE1-CD1 3.48Å; F428-L439 HydrophobicContact CZ-CD1 3.77Å; F428-M464 HydrophobicContact CE2-CE 4.41Å; F428-M464 HydrophobicContact CZ-CE 3.92Å; F428-I466 HydrophobicContact CE2-CD1 3.9Å
429	K	73	Confident	76.3	Confident	126 Å²	126	42.7 Å²	42.7	55%	0.548	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-40.1	177	-79.5	-175	-177.9	-172.8	0	113.1	Q423 R424 V425	Q423-K429 VanDerWaalsContact O-CE 3.29Å; Q423-K429 WeakPolarHBondContact O-CE 3.36Å; Q423-K429 WeakPolarHBondContact O-CG 3.44Å; R424-K429 WeakPolarHBondContact O-CE 3.23Å; V425-K429 PolarHBondContact O-N 3.24Å
430	D	70.6	Confident	76.5	Confident	135 Å²	135	41.5 Å²	41.5	72%	0.722	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	6.7	-174.9	-55	-42.7	0	0	0	112.8	F428	F428-D430 VanDerWaalsContact C-N 3.3Å; F428-D430 PolarHBondContact O-N 3.33Å
431	C	73	Confident	76.6	Confident	14 Å²	14	39.3 Å²	39.3	10%	0.095	20%	0.199	C	C	.	.	S	Bend	trans	-85.6	153.3	-178.4	-68.6	0	0	0	0	112.2	I427 F428 L435 T539	I427-C431 PolarHBondContact O-SG 2.88Å; F428-C431 PolarHBondContact O-N 2.57Å; C431-L435 HydrophobicContact CB-CD2 4.14Å; C431-T539 WeakPolarHBondContact SG-CG2 3.38Å; C431-T539 PolarHBondContact SG-OG1 3.39Å
432	D	77.2	Confident	77	Confident	72 Å²	72	40.7 Å²	40.7	39%	0.385	20%	0.203	S	C	.	.			trans	-58.8	130.3	170.7	-177.6	44.3	0	0	0	109.7	G434 L435 Y536	D432-G434 PolarHBondContact O-N 3.46Å; D432-G434 PolarHBondContact OD2-N 2.98Å; D432-L435 WeakPolarHBondContact O-CB 3.44Å; D432-L435 PolarHBondContact O-N 3.34Å; D432-Y536 HydrophobicContact CB-CD1 4.32Å; D432-Y536 HydrophobicContact CB-CE1 4.07Å; D432-Y536 WeakPolarHBondContact OD2-CE1 3.24Å
433	P	76.9	Confident	77.4	Confident	42 Å²	42	41.7 Å²	41.7	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-54.6	-23.7	176.5	19.1	-34.6	0	0	0	113.7	L435 L436 V437	P433-L435 VanDerWaalsContact C-N 3.31Å; P433-L435 PolarHBondContact O-N 3.49Å; P433-L436 WeakPolarHBondContact O-CB 3.49Å; P433-L436 PolarHBondContact O-N 3.08Å; P433-V437 WeakPolarHBondContact O-CG2 3.48Å; P433-V437 PolarHBondContact O-N 2.92Å; P433-V437 VanDerWaalsContact O-N 3.14Å
434	G	78	Confident	77.7	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-40.4	173.1	0	0	0	0	0	113.3	D432 L436 V437 E438 Y536	D432-G434 PolarHBondContact O-N 3.46Å; D432-G434 PolarHBondContact OD2-N 2.98Å; G434-L436 VanDerWaalsContact C-N 3.35Å; G434-V437 PolarHBondContact O-N 3.15Å; G434-E438 PolarHBondContact O-N 2.93Å; G434-Y536 VanDerWaalsContact C-OH 3.29Å; G434-Y536 WeakPolarHBondContact CA-OH 3.3Å
435	L	81.7	Confident	78.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-40.9	175.5	175.7	65.8	0	0	0	111.2	C431 D432 P433 V437 E438 L439 A532 Y536 T539	C431-L435 HydrophobicContact CB-CD2 4.14Å; D432-L435 WeakPolarHBondContact O-CB 3.44Å; D432-L435 PolarHBondContact O-N 3.34Å; P433-L435 VanDerWaalsContact C-N 3.31Å; P433-L435 PolarHBondContact O-N 3.49Å; L435-V437 VanDerWaalsContact C-N 3.31Å; L435-V437 PolarHBondContact O-N 3.07Å; L435-E438 PolarHBondContact O-N 3.34Å; L435-L439 HydrophobicContact CD1-CD1 4.02Å; L435-L439 HydrophobicContact CD1-CD2 4.44Å; L435-L439 HydrophobicContact CD1-CG 3.93Å; L435-L439 HydrophobicContact CD2-CD1 4.27Å; L435-L439 HydrophobicContact CG-CD1 3.79Å; L435-L439 HydrophobicContact CG-CG 4.14Å; L435-L439 WeakPolarHBondContact O-CB 3.34Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.14Å; L435-L439 PolarHBondContact O-N 3.19Å; L435-A532 HydrophobicContact CD1-CB 3.83Å; L435-Y536 HydrophobicContact CB-CD1 4.22Å; L435-Y536 HydrophobicContact CB-CD2 3.85Å; L435-Y536 HydrophobicContact CB-CE1 4.32Å; L435-Y536 HydrophobicContact CB-CE2 3.96Å; L435-Y536 HydrophobicContact CB-CG 3.98Å; L435-Y536 HydrophobicContact CD1-CD2 3.62Å; L435-Y536 HydrophobicContact CD1-CE2 4.19Å; L435-Y536 HydrophobicContact CD1-CG 4.18Å; L435-Y536 HydrophobicContact CG-CD2 4.25Å; L435-Y536 HydrophobicContact CG-CG 4.48Å; L435-T539 HydrophobicContact CD2-CG2 3.46Å; L435-T539 VanDerWaalsContact CD2-CG2 3.46Å; L435-T539 WeakPolarHBondContact CD2-OG1 3.49Å
436	L	79.4	Confident	78.7	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-43.8	177.7	-76.2	173.5	0	0	0	111.3	F419 L422 F428 P433 G434 E438 L439 V440	F419-L436 HydrophobicContact CD2-CD1 4.33Å; F419-L436 HydrophobicContact CE2-CD1 3.76Å; F419-L436 HydrophobicContact CZ-CD1 4.48Å; L422-L436 HydrophobicContact CB-CD2 3.84Å; L422-L436 HydrophobicContact CD1-CD2 4.32Å; F428-L436 HydrophobicContact CB-CD2 3.68Å; F428-L436 HydrophobicContact CG-CD2 4.1Å; P433-L436 WeakPolarHBondContact O-CB 3.49Å; P433-L436 PolarHBondContact O-N 3.08Å; G434-L436 VanDerWaalsContact C-N 3.35Å; L436-E438 VanDerWaalsContact C-N 3.35Å; L436-E438 PolarHBondContact O-N 3.47Å; L436-L439 PolarHBondContact O-N 2.98Å; L436-V440 WeakPolarHBondContact O-CB 3.32Å; L436-V440 WeakPolarHBondContact O-CG2 3.39Å; L436-V440 PolarHBondContact O-N 3.15Å
437	V	77.5	Confident	79.7	Confident	27 Å²	27	39.7 Å²	39.7	16%	0.164	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-42.9	177.4	178.4	0	0	0	0	111.7	I28 A411 I415 P433 G434 L435 L441	I28-V437 HydrophobicContact CG1-CG1 4.49Å; A411-V437 HydrophobicContact CB-CG1 4.49Å; I415-V437 HydrophobicContact CD1-CB 4.26Å; I415-V437 HydrophobicContact CD1-CG1 3.94Å; I415-V437 HydrophobicContact CD1-CG2 3.5Å; I415-V437 VanDerWaalsContact CD1-CG2 3.5Å; I415-V437 HydrophobicContact CG1-CG1 4.48Å; I415-V437 HydrophobicContact CG1-CG2 3.96Å; P433-V437 WeakPolarHBondContact O-CG2 3.48Å; P433-V437 PolarHBondContact O-N 2.92Å; P433-V437 VanDerWaalsContact O-N 3.14Å; G434-V437 PolarHBondContact O-N 3.15Å; L435-V437 VanDerWaalsContact C-N 3.31Å; L435-V437 PolarHBondContact O-N 3.07Å; V437-L441 PolarHBondContact O-N 3.28Å
438	E	80.6	Confident	80.7	Confident	26 Å²	26	40.9 Å²	40.9	12%	0.121	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-43.4	179.1	-164.5	-171.3	153.1	0	0	111.9	G434 L435 L436 L441 K442	G434-E438 PolarHBondContact O-N 2.93Å; L435-E438 PolarHBondContact O-N 3.34Å; L436-E438 VanDerWaalsContact C-N 3.35Å; L436-E438 PolarHBondContact O-N 3.47Å; E438-L441 PolarHBondContact O-N 3.36Å; E438-K442 IonicContact OE1-NZ 3.25Å; E438-K442 PolarHBondContact OE1-NZ 2.82Å
439	L	82.3	Confident	81.6	Confident	2 Å²	2	41 Å²	41	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-45.5	178	-71.3	176.3	0	0	0	111.3	F428 L435 L436 L441 K442 L443 L524 L529 A532	F428-L439 HydrophobicContact CD1-CD1 4.05Å; F428-L439 HydrophobicContact CE1-CD1 3.48Å; F428-L439 VanDerWaalsContact CE1-CD1 3.48Å; F428-L439 HydrophobicContact CZ-CD1 3.77Å; L435-L439 HydrophobicContact CD1-CD1 4.02Å; L435-L439 HydrophobicContact CD1-CD2 4.44Å; L435-L439 HydrophobicContact CD1-CG 3.93Å; L435-L439 HydrophobicContact CD2-CD1 4.27Å; L435-L439 HydrophobicContact CG-CD1 3.79Å; L435-L439 HydrophobicContact CG-CG 4.14Å; L435-L439 WeakPolarHBondContact O-CB 3.34Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.14Å; L435-L439 PolarHBondContact O-N 3.19Å; L436-L439 PolarHBondContact O-N 2.98Å; L439-L441 PolarHBondContact O-N 2.92Å; L439-K442 CarbonylContact O-C 3.57Å; L439-K442 WeakPolarHBondContact O-CA 3.42Å; L439-K442 PolarHBondContact O-N 3.26Å; L439-L443 WeakPolarHBondContact O-CG 3.25Å; L439-L443 PolarHBondContact O-N 2.82Å; L439-L524 HydrophobicContact CD2-CD1 4.39Å; L439-L524 HydrophobicContact CD2-CD2 3.65Å; L439-L529 HydrophobicContact CD2-CD1 4.18Å; L439-A532 HydrophobicContact CD2-CB 3.88Å
440	V	80.4	Confident	82.5	Confident	6 Å²	6	38 Å²	38	4%	0.036	20%	0.202	C	C	.	.	H	α-helix	trans	-53.7	-39.2	-179.8	163.4	0	0	0	0	112.6	A414 H418 L422 L436 K442	A414-V440 HydrophobicContact CB-CG1 3.16Å; A414-V440 WeakPolarHBondContact O-CG1 3.35Å; H418-V440 HydrophobicContact CB-CG2 4.38Å; L422-V440 HydrophobicContact CD1-CB 4.46Å; L422-V440 HydrophobicContact CD1-CG2 3.15Å; L436-V440 WeakPolarHBondContact O-CB 3.32Å; L436-V440 WeakPolarHBondContact O-CG2 3.39Å; L436-V440 PolarHBondContact O-N 3.15Å; V440-K442 VanDerWaalsContact C-N 3.26Å; V440-K442 PolarHBondContact O-N 2.94Å
441	L	78.9	Confident	83.5	Confident	54 Å²	54	33.5 Å²	33.5	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-70.8	-21.8	178.8	-71.5	174	0	0	0	113.5	M24 K410 A411 V437 E438 L439	M24-L441 HydrophobicContact CE-CD1 3.94Å; K410-L441 HydrophobicContact CG-CD2 4.36Å; A411-L441 HydrophobicContact CB-CD1 4.14Å; A411-L441 HydrophobicContact CB-CD2 3.89Å; A411-L441 HydrophobicContact CB-CG 4.28Å; V437-L441 PolarHBondContact O-N 3.28Å; E438-L441 PolarHBondContact O-N 3.36Å; L439-L441 PolarHBondContact O-N 2.92Å
442	K	83.8	Confident	84.5	Confident	49 Å²	49	34.1 Å²	34.1	21%	0.213	19%	0.189	C	C	.	.	H	α-helix	trans	-99.6	-8.6	-179.3	-65.9	171.8	167.3	177.7	0	113.1	E438 L439 V440 L524 D528	E438-K442 IonicContact OE1-NZ 3.25Å; E438-K442 PolarHBondContact OE1-NZ 2.82Å; L439-K442 CarbonylContact O-C 3.57Å; L439-K442 WeakPolarHBondContact O-CA 3.42Å; L439-K442 PolarHBondContact O-N 3.26Å; V440-K442 VanDerWaalsContact C-N 3.26Å; V440-K442 PolarHBondContact O-N 2.94Å; K442-L524 HydrophobicContact CB-CD1 3.83Å; K442-D528 HydrophobicContact CB-CB 4.2Å; K442-D528 HydrophobicContact CD-CB 3.91Å; K442-D528 HydrophobicContact CG-CB 4.43Å; K442-D528 PolarHBondContact NZ-O 3.17Å
443	L	83.9	Confident	85.3	Confident	23 Å²	23	34.4 Å²	34.4	12%	0.12	19%	0.186	C	C	.	.			trans	-73.1	130.6	177.2	-68.7	175	0	0	0	110.9	L422 L439 I466 F522 L524	L422-L443 HydrophobicContact CD1-CD1 3.89Å; L422-L443 HydrophobicContact CD2-CD1 3.87Å; L422-L443 HydrophobicContact CG-CD1 4.34Å; L439-L443 WeakPolarHBondContact O-CG 3.25Å; L439-L443 PolarHBondContact O-N 2.82Å; L443-I466 HydrophobicContact CD2-CD1 4.22Å; L443-F522 HydrophobicContact CB-CB 4.21Å; L443-F522 HydrophobicContact CB-CD1 4.01Å; L443-F522 HydrophobicContact CB-CG 4.34Å; L443-F522 HydrophobicContact CD1-CB 4.17Å; L443-F522 HydrophobicContact CD1-CD1 4.43Å; L443-F522 HydrophobicContact CD1-CG 4.14Å; L443-F522 HydrophobicContact CD2-CB 3.98Å; L443-F522 HydrophobicContact CG-CB 4.32Å; L443-L524 HydrophobicContact CD2-CB 3.88Å; L443-L524 HydrophobicContact CD2-CD1 4.13Å; L443-L524 HydrophobicContact CD2-CG 4.47Å
444	Q	84.7	Confident	86.1	Confident	119 Å²	119	33.2 Å²	33.2	56%	0.556	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.5	173.5	-65.9	-177.9	-16.1	0	0	110	F522 C523	Q444-F522 CarbonylContact O-C 3.58Å; Q444-F522 WeakPolarHBondContact O-CA 3.19Å; Q444-C523 HydrophobicContact CB-CB 4.5Å; Q444-C523 PolarHBondContact N-O 3.5Å; Q444-C523 PolarHBondContact O-N 3.26Å
445	L	85.1	Confident	86.8	Confident	40 Å²	40	33.6 Å²	33.6	21%	0.209	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.4	177.1	-173.6	67.3	0	0	0	109.8	Q395 K468 D520 F522	Q395-L445 HydrophobicContact CG-CD2 4.44Å; L445-K468 HydrophobicContact CD1-CD 4.14Å; L445-D520 HydrophobicContact CD1-CB 4.16Å; L445-F522 HydrophobicContact CD1-CD1 4.18Å; L445-F522 HydrophobicContact CD1-CE1 3.93Å; L445-F522 HydrophobicContact CD1-CZ 4.45Å
446	Q	88.8	Confident	87.3	Confident	54 Å²	54	40.4 Å²	40.4	25%	0.252	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.3	174.8	-66.7	-172.5	8.6	0	0	110.6	F448 L521 C523	Q446-F448 HydrophobicContact CB-CE2 3.83Å; Q446-F448 HydrophobicContact CB-CZ 4.48Å; Q446-L521 PolarHBondContact N-O 2.82Å; Q446-L521 PolarHBondContact O-N 3.22Å; Q446-C523 HydrophobicContact CG-CB 4.08Å
447	V	90.9	Very high	87.8	Confident	23 Å²	23	45.2 Å²	45.2	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.8	-176.8	-177.3	0	0	0	0	109.9	W386 Y389 L390 S519	W386-V447 PolarHBondContact NE1-O 3.45Å; Y389-V447 HydrophobicContact CD1-CG1 3.93Å; Y389-V447 HydrophobicContact CE1-CG1 3.57Å; L390-V447 HydrophobicContact CD2-CB 4.28Å; L390-V447 HydrophobicContact CD2-CG1 4.43Å; L390-V447 HydrophobicContact CD2-CG2 4.01Å; V447-S519 WeakPolarHBondContact CA-O 3.25Å
448	F	92.9	Very high	88.3	Confident	33 Å²	33	45.1 Å²	45.1	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.8	178.4	-68.8	-90.8	0	0	0	111.1	Q446 D452 I454 Y518 S519 L521	Q446-F448 HydrophobicContact CB-CE2 3.83Å; Q446-F448 HydrophobicContact CB-CZ 4.48Å; F448-D452 HydrophobicContact CB-CB 4.46Å; F448-D452 HydrophobicContact CD1-CB 4.39Å; F448-I454 HydrophobicContact CB-CG1 4.25Å; F448-I454 HydrophobicContact CD1-CB 4.4Å; F448-I454 HydrophobicContact CD1-CG1 3.59Å; F448-I454 HydrophobicContact CD2-CG1 3.93Å; F448-I454 HydrophobicContact CE1-CB 4.19Å; F448-I454 HydrophobicContact CE1-CG1 3.84Å; F448-I454 HydrophobicContact CE1-CG2 4.07Å; F448-I454 HydrophobicContact CE2-CG1 4.17Å; F448-I454 HydrophobicContact CE2-CG2 4.11Å; F448-I454 HydrophobicContact CG-CG1 3.63Å; F448-I454 HydrophobicContact CZ-CB 4.37Å; F448-I454 HydrophobicContact CZ-CG1 4.13Å; F448-I454 HydrophobicContact CZ-CG2 3.77Å; F448-Y518 WeakPolarHBondContact O-CA 3.49Å; F448-S519 PolarHBondContact N-O 2.89Å; F448-S519 PolarHBondContact O-N 3.05Å; F448-L521 HydrophobicContact CD2-CB 4.47Å; F448-L521 HydrophobicContact CD2-CD1 3.57Å; F448-L521 HydrophobicContact CD2-CG 3.94Å; F448-L521 HydrophobicContact CE2-CB 4.36Å; F448-L521 HydrophobicContact CE2-CD1 3.64Å; F448-L521 HydrophobicContact CE2-CG 4.21Å
449	S	93	Very high	88.7	Confident	8 Å²	8	47.5 Å²	47.5	6%	0.056	24%	0.243	C	C	.	.			trans	-87.7	159.8	179.3	75.1	0	0	0	0	112.1	G451 D452 G517	S449-G451 PolarHBondContact O-N 3.27Å; S449-D452 WeakPolarHBondContact CA-OD2 3.41Å; S449-D452 WeakPolarHBondContact CB-OD2 3.36Å; S449-D452 PolarHBondContact N-OD2 3.49Å; S449-D452 VanDerWaalsContact O-CB 3.25Å; S449-D452 WeakPolarHBondContact O-CB 3.47Å; S449-D452 PolarHBondContact O-N 3.4Å; S449-D452 VanDerWaalsContact O-N 3.1Å; S449-D452 PolarHBondContact OG-OD1 2.71Å; S449-D452 PolarHBondContact OG-OD2 2.92Å; S449-G517 CarbonylContact C-O 3.53Å
450	P	93.9	Very high	89.1	Confident	62 Å²	62	52.7 Å²	52.7	40%	0.403	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	130.7	179.4	-20.2	28.8	0	0	0	112	D452 G517 Y518	P450-D452 VanDerWaalsContact C-N 3.32Å; P450-G517 WeakPolarHBondContact CA-O 3.31Å; P450-Y518 HydrophobicContact CG-CD2 3.82Å; P450-Y518 HydrophobicContact CG-CE2 3.86Å; P450-Y518 HydrophobicContact CG-CG 4.3Å
451	G	91.3	Very high	89.4	Confident	40 Å²	40	52.5 Å²	52.5	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-6.2	-178.2	0	0	0	0	0	114.7	S449 R514 S515	S449-G451 PolarHBondContact O-N 3.27Å; G451-R514 WeakPolarHBondContact O-CG 3.27Å; G451-S515 WeakPolarHBondContact CA-O 3.39Å; G451-S515 PolarHBondContact N-O 2.92Å
452	D	93.4	Very high	89.9	Confident	27 Å²	27	56.8 Å²	56.8	14%	0.144	29%	0.286	C	S	.	.			trans	-71.1	133.9	179.5	-72.3	-13.8	0	0	0	112.3	R382 F448 S449 P450 I454 R514 S515	R382-D452 IonicContact CZ-OD1 3.57Å; R382-D452 IonicContact NE-OD1 2.89Å; R382-D452 IonicContact NH1-OD1 2.84Å; R382-D452 IonicContact NH2-OD1 3.44Å; R382-D452 PolarHBondContact NH2-OD1 3.31Å; R382-D452 IonicContact NH2-OD2 3.62Å; R382-D452 PolarHBondContact NH2-OD2 3.02Å; F448-D452 HydrophobicContact CB-CB 4.46Å; F448-D452 HydrophobicContact CD1-CB 4.39Å; S449-D452 WeakPolarHBondContact CA-OD2 3.41Å; S449-D452 WeakPolarHBondContact CB-OD2 3.36Å; S449-D452 PolarHBondContact N-OD2 3.49Å; S449-D452 VanDerWaalsContact O-CB 3.25Å; S449-D452 WeakPolarHBondContact O-CB 3.47Å; S449-D452 PolarHBondContact O-N 3.4Å; S449-D452 VanDerWaalsContact O-N 3.1Å; S449-D452 PolarHBondContact OG-OD1 2.71Å; S449-D452 PolarHBondContact OG-OD2 2.92Å; P450-D452 VanDerWaalsContact C-N 3.32Å; D452-I454 PolarHBondContact O-N 3.13Å; D452-R514 CarbonylContact O-C 3.49Å; D452-R514 VanDerWaalsContact O-CA 3.27Å; D452-R514 WeakPolarHBondContact O-CA 3.46Å; D452-S515 PolarHBondContact O-N 3.28Å
453	Y	93.4	Very high	90.3	Very high	78 Å²	78	57 Å²	57	31%	0.306	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.3	168.4	-74.4	-97.4	0	0	0	108.5	R456 N512 V513 R514	Y453-R456 HydrophobicContact CD1-CG 4.29Å; Y453-R456 HydrophobicContact CG-CG 4.41Å; Y453-N512 HydrophobicContact CD1-CB 4.1Å; Y453-N512 HydrophobicContact CE1-CB 3.95Å; Y453-V513 CarbonylContact C-O 3.56Å; Y453-V513 WeakPolarHBondContact CA-O 3.25Å; Y453-R514 HydrophobicContact CD1-CB 4.29Å; Y453-R514 HydrophobicContact CD2-CG 4.44Å; Y453-R514 HydrophobicContact CE1-CB 4.26Å; Y453-R514 HydrophobicContact CE2-CG 4.36Å; Y453-R514 PolarHBondContact OH-NH1 2.91Å
454	I	93.9	Very high	90.6	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.092	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-37.7	175.4	-60.7	119	0	0	0	110.1	F448 D452 Y465 L472 F492 V513 L521	F448-I454 HydrophobicContact CB-CG1 4.25Å; F448-I454 HydrophobicContact CD1-CB 4.4Å; F448-I454 HydrophobicContact CD1-CG1 3.59Å; F448-I454 HydrophobicContact CD2-CG1 3.93Å; F448-I454 HydrophobicContact CE1-CB 4.19Å; F448-I454 HydrophobicContact CE1-CG1 3.84Å; F448-I454 HydrophobicContact CE1-CG2 4.07Å; F448-I454 HydrophobicContact CE2-CG1 4.17Å; F448-I454 HydrophobicContact CE2-CG2 4.11Å; F448-I454 HydrophobicContact CG-CG1 3.63Å; F448-I454 HydrophobicContact CZ-CB 4.37Å; F448-I454 HydrophobicContact CZ-CG1 4.13Å; F448-I454 HydrophobicContact CZ-CG2 3.77Å; D452-I454 PolarHBondContact O-N 3.13Å; I454-Y465 HydrophobicContact CG2-CD2 3.88Å; I454-Y465 HydrophobicContact CG2-CE1 4.48Å; I454-Y465 HydrophobicContact CG2-CE2 3.73Å; I454-Y465 HydrophobicContact CG2-CG 4.31Å; I454-L472 HydrophobicContact CD1-CD1 4.05Å; I454-L472 HydrophobicContact CD1-CD2 3.5Å; I454-L472 HydrophobicContact CD1-CG 4.31Å; I454-F492 HydrophobicContact CB-CE2 4.37Å; I454-F492 HydrophobicContact CB-CZ 4.39Å; I454-F492 HydrophobicContact CG2-CE2 3.86Å; I454-F492 HydrophobicContact CG2-CZ 3.86Å; I454-V513 HydrophobicContact CD1-CG1 4.08Å; I454-V513 PolarHBondContact N-O 3.46Å; I454-L521 HydrophobicContact CD1-CD1 4.14Å; I454-L521 HydrophobicContact CG1-CD1 3.93Å; I454-L521 HydrophobicContact CG2-CD1 3.99Å
455	C	92.4	Very high	90.9	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.054	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.2	170.5	58.8	0	0	0	0	110.4	R509 N512 V513	C455-R509 HydrophobicContact CB-CG 4.04Å; C455-N512 WeakPolarHBondContact O-CA 3.33Å; C455-V513 PolarHBondContact O-N 2.92Å; C455-V513 VanDerWaalsContact SG-CG2 3.54Å
456	R	91.8	Very high	91.2	Very high	144 Å²	144	49.4 Å²	49.4	54%	0.543	25%	0.25	S	C	.	.			trans	-107.8	149.3	171.4	-57.5	179.4	177.7	-169.8	-0.7	109.9	Y453 G458 D459 R509 N512	Y453-R456 HydrophobicContact CD1-CG 4.29Å; Y453-R456 HydrophobicContact CG-CG 4.41Å; R456-G458 PolarHBondContact O-N 3.32Å; R456-D459 WeakPolarHBondContact CB-OD2 3.36Å; R456-D459 PolarHBondContact N-OD2 3.37Å; R456-D459 WeakPolarHBondContact O-CB 3.42Å; R456-D459 PolarHBondContact O-N 3.14Å; R456-D459 VanDerWaalsContact O-N 3.12Å; R456-R509 VanDerWaalsContact O-CB 3.28Å; R456-R509 WeakPolarHBondContact O-CB 3.31Å; R456-N512 VanDerWaalsContact CA-OD1 3.24Å; R456-N512 WeakPolarHBondContact CA-OD1 3.42Å
457	K	90.1	Very high	91.3	Very high	109 Å²	109	46.8 Å²	46.8	47%	0.474	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	130.1	174.3	-178.7	177.3	171.9	-163.9	0	108.8	E477 S510 N512	K457-E477 HydrophobicContact CD-CG 4.35Å; K457-E477 VanDerWaalsContact CD-OE1 3.31Å; K457-E477 WeakPolarHBondContact CD-OE1 3.44Å; K457-E477 WeakPolarHBondContact CE-OE1 3.29Å; K457-E477 IonicContact NZ-OE1 3.39Å; K457-E477 PolarHBondContact NZ-OE1 2.65Å; K457-S510 WeakPolarHBondContact CG-O 3.44Å; K457-N512 PolarHBondContact N-OD1 3.19Å
458	G	88.1	Confident	91.1	Very high	25 Å²	25	47.8 Å²	47.8	26%	0.258	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	-16.3	-177.2	0	0	0	0	0	115.3	R456 R508 R509	R456-G458 PolarHBondContact O-N 3.32Å; G458-R508 WeakPolarHBondContact O-CD 3.47Å; G458-R508 PolarHBondContact O-NH1 2.85Å; G458-R509 PolarHBondContact N-O 3.46Å
459	D	90.8	Very high	90.9	Very high	75 Å²	75	52.3 Å²	52.3	40%	0.401	26%	0.256	S	S	.	.	S	Bend	trans	-63	153.9	175.2	-71.5	-16.4	0	0	0	111.1	R456 G461 R508 R509	R456-D459 WeakPolarHBondContact CB-OD2 3.36Å; R456-D459 PolarHBondContact N-OD2 3.37Å; R456-D459 WeakPolarHBondContact O-CB 3.42Å; R456-D459 PolarHBondContact O-N 3.14Å; R456-D459 VanDerWaalsContact O-N 3.12Å; D459-G461 PolarHBondContact O-N 3.26Å; D459-R508 CarbonylContact O-C 3.52Å; D459-R508 WeakPolarHBondContact O-CA 3.5Å; D459-R509 HydrophobicContact CB-CG 4.07Å; D459-R509 WeakPolarHBondContact O-CG 3.44Å; D459-R509 PolarHBondContact O-N 3.24Å
460	I	90.1	Very high	90.8	Very high	111 Å²	111	52.8 Å²	52.8	57%	0.569	26%	0.263	S	S	*	.	B	Isolated β-bridge	trans	-75.7	117.1	176.8	-58.8	171.2	0	0	0	108.8	K462	I460-K462 HydrophobicContact CG2-CG 4.19Å; I460-K462 PolarHBondContact O-N 2.97Å
461	G	87	Confident	90.9	Very high	3 Å²	3	56.5 Å²	56.5	3%	0.031	27%	0.272	C	S	.	.			trans	-83.4	101.5	179.9	0	0	0	0	0	112.3	D459 N507	D459-G461 PolarHBondContact O-N 3.26Å; G461-N507 PolarHBondContact N-O 2.84Å
462	K	89.1	Confident	91.1	Very high	144 Å²	144	54.6 Å²	54.6	63%	0.626	25%	0.253	S	S	*	.			trans	-97.4	-14.5	178.5	-61.8	-177.8	179.4	178.7	0	114.1	I460 K526	I460-K462 HydrophobicContact CG2-CG 4.19Å; I460-K462 PolarHBondContact O-N 2.97Å; K462-K526 WeakPolarHBondContact O-CB 3.33Å; K462-K526 PolarHBondContact O-N 2.8Å
463	E	91.3	Very high	91.2	Very high	54 Å²	54	53.9 Å²	53.9	25%	0.252	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.4	-166.9	-65.9	167	-178.4	0	0	109.8	Y465 R509 C523 L524	E463-Y465 PolarHBondContact OE2-OH 3.05Å; E463-R509 PolarHBondContact O-NH1 2.97Å; E463-R509 PolarHBondContact O-NH2 2.84Å; E463-C523 VanDerWaalsContact CB-SG 3.59Å; E463-C523 VanDerWaalsContact CG-SG 3.58Å; E463-C523 PolarHBondContact OE2-SG 3.37Å; E463-L524 CarbonylContact C-O 3.56Å; E463-L524 VanDerWaalsContact CA-O 3.27Å; E463-L524 WeakPolarHBondContact CA-O 3.41Å
464	M	89.8	Confident	91.2	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	157.1	161.8	62.3	178.2	-145.4	0	0	110.2	F428 I466 I497 C523 L524 L529	F428-M464 HydrophobicContact CE2-CE 4.41Å; F428-M464 HydrophobicContact CZ-CE 3.92Å; M464-I466 HydrophobicContact CE-CD1 4.22Å; M464-I466 HydrophobicContact CE-CG1 4.46Å; M464-I497 HydrophobicContact CB-CD1 3.59Å; M464-I497 HydrophobicContact CG-CD1 3.67Å; M464-I497 HydrophobicContact SD-CD1 3.78Å; M464-C523 WeakPolarHBondContact O-CA 3.47Å; M464-L524 HydrophobicContact CE-CB 3.85Å; M464-L524 HydrophobicContact CE-CD2 3.25Å; M464-L524 HydrophobicContact CE-CG 4.19Å; M464-L524 HydrophobicContact CG-CB 3.82Å; M464-L524 HydrophobicContact CG-CD2 4.41Å; M464-L524 PolarHBondContact N-O 3.06Å; M464-L524 PolarHBondContact O-N 3.1Å; M464-L524 HydrophobicContact SD-CD2 4.14Å; M464-L529 HydrophobicContact CE-CD1 4.47Å; M464-L529 HydrophobicContact SD-CD2 3.95Å
465	Y	92.5	Very high	91.2	Very high	16 Å²	16	50.5 Å²	50.5	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.9	179.8	-59.2	-76.1	0	0	0	111.2	I454 E463 V491 F492 L521 F522 C523	I454-Y465 HydrophobicContact CG2-CD2 3.88Å; I454-Y465 HydrophobicContact CG2-CE1 4.48Å; I454-Y465 HydrophobicContact CG2-CE2 3.73Å; I454-Y465 HydrophobicContact CG2-CG 4.31Å; E463-Y465 PolarHBondContact OE2-OH 3.05Å; Y465-V491 WeakPolarHBondContact O-CA 3.29Å; Y465-F492 VanDerWaalsContact CB-CE1 3.4Å; Y465-F492 HydrophobicContact CD2-CD2 4.16Å; Y465-F492 AromaticContact CD2-CE2 3.48Å; Y465-F492 HydrophobicContact CD2-CE2 3.48Å; Y465-F492 VanDerWaalsContact CD2-CE2 3.48Å; Y465-F492 AromaticContact CD2-CZ 3.77Å; Y465-F492 HydrophobicContact CD2-CZ 3.77Å; Y465-F492 HydrophobicContact CE2-CE2 4.4Å; Y465-F492 HydrophobicContact CG-CE1 4.34Å; Y465-F492 AromaticContact CG-CE2 3.99Å; Y465-F492 HydrophobicContact CG-CE2 3.99Å; Y465-F492 AromaticContact CG-CZ 3.78Å; Y465-F492 HydrophobicContact CG-CZ 3.78Å; Y465-F492 PolarHBondContact N-O 3.3Å; Y465-F492 PolarHBondContact O-N 2.93Å; Y465-L521 HydrophobicContact CD1-CB 4.34Å; Y465-L521 HydrophobicContact CD1-CD1 4.38Å; Y465-L521 HydrophobicContact CG-CD1 4.39Å; Y465-F522 CarbonylContact C-O 3.54Å; Y465-F522 VanDerWaalsContact CA-O 3.24Å; Y465-F522 WeakPolarHBondContact CA-O 3.31Å; Y465-C523 HydrophobicContact CD1-CB 3.95Å; Y465-C523 HydrophobicContact CE1-CB 3.78Å
466	I	90.1	Very high	91	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.1	173.8	-49.8	177.6	0	0	0	107.8	L422 V425 F428 L443 M464 K468 V491 L521 F522	L422-I466 HydrophobicContact CD2-CD1 3.49Å; L422-I466 VanDerWaalsContact CD2-CD1 3.49Å; V425-I466 HydrophobicContact CG2-CG2 3.54Å; F428-I466 HydrophobicContact CE2-CD1 3.9Å; L443-I466 HydrophobicContact CD2-CD1 4.22Å; M464-I466 HydrophobicContact CE-CD1 4.22Å; M464-I466 HydrophobicContact CE-CG1 4.46Å; I466-K468 PolarHBondContact O-N 3.5Å; I466-K468 VanDerWaalsContact O-N 3.17Å; I466-V491 HydrophobicContact CG1-CG2 4.13Å; I466-V491 HydrophobicContact CG2-CG2 4.31Å; I466-L521 CarbonylContact O-C 3.59Å; I466-L521 WeakPolarHBondContact O-CA 3.37Å; I466-F522 HydrophobicContact CB-CB 4.22Å; I466-F522 PolarHBondContact N-O 2.98Å; I466-F522 PolarHBondContact O-N 3.19Å
467	V	91.4	Very high	90.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.6	-179.8	-174.3	0	0	0	0	109.4	L472 G487 G489 S490 F492 L521	V467-L472 HydrophobicContact CG2-CD1 3.6Å; V467-L472 HydrophobicContact CG2-CG 4.2Å; V467-G487 WeakPolarHBondContact CB-O 3.48Å; V467-G489 PolarHBondContact O-N 3.26Å; V467-S490 VanDerWaalsContact CG2-OG 3.26Å; V467-S490 WeakPolarHBondContact CG2-OG 3.47Å; V467-S490 PolarHBondContact N-O 2.98Å; V467-F492 HydrophobicContact CG2-CD1 4.21Å; V467-F492 HydrophobicContact CG2-CE1 3.97Å; V467-L521 HydrophobicContact CB-CD2 4.18Å; V467-L521 HydrophobicContact CG1-CD2 4.2Å; V467-L521 HydrophobicContact CG2-CD2 3.91Å
468	K	86.8	Confident	90.3	Very high	44 Å²	44	51.5 Å²	51.5	19%	0.191	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-53.2	173.5	-175.3	-166.6	-171.6	179.9	0	110.5	T421 L445 I466 E488 D520 F522	T421-K468 HydrophobicContact CG2-CB 4.37Å; T421-K468 HydrophobicContact CG2-CG 4.32Å; L445-K468 HydrophobicContact CD1-CD 4.14Å; I466-K468 PolarHBondContact O-N 3.5Å; I466-K468 VanDerWaalsContact O-N 3.17Å; K468-E488 WeakPolarHBondContact O-CG 3.5Å; K468-D520 HydrophobicContact CB-CB 4.29Å; K468-D520 WeakPolarHBondContact CB-O 3.49Å; K468-D520 HydrophobicContact CD-CB 4.36Å; K468-D520 PolarHBondContact N-O 2.9Å; K468-F522 HydrophobicContact CB-CD2 3.94Å; K468-F522 HydrophobicContact CB-CE2 3.62Å; K468-F522 HydrophobicContact CB-CZ 4.31Å; K468-F522 HydrophobicContact CD-CE1 4.39Å; K468-F522 HydrophobicContact CD-CE2 3.64Å; K468-F522 HydrophobicContact CD-CZ 3.5Å; K468-F522 VanDerWaalsContact CD-CZ 3.5Å; K468-F522 HydrophobicContact CG-CD2 4.4Å; K468-F522 HydrophobicContact CG-CE2 3.58Å; K468-F522 HydrophobicContact CG-CZ 4Å
469	R	89	Confident	90	Very high	128 Å²	128	51 Å²	51	48%	0.483	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.3	-177.3	-171.4	179.8	172.1	-165.9	-1.8	110.5	S519 D520	R469-S519 WeakPolarHBondContact O-CA 3.45Å; R469-D520 HydrophobicContact CB-CB 3.98Å; R469-D520 PolarHBondContact N-O 3.16Å; R469-D520 VanDerWaalsContact N-O 3.16Å; R469-D520 PolarHBondContact O-N 3.24Å
470	G	91.4	Very high	89.7	Confident	18 Å²	18	56.1 Å²	56.1	19%	0.186	27%	0.27	C	S	.	.	S	Bend	trans	102.4	-172.7	175.7	0	0	0	0	0	113.5
471	K	94.7	Very high	89.6	Confident	140 Å²	140	54.4 Å²	54.4	61%	0.609	27%	0.265	S	S	*	.			trans	-131.4	130	-174.8	-66.7	-176.2	-179.4	-179.8	0	110	T485 V516 S519	K471-T485 HydrophobicContact CB-CG2 4.33Å; K471-V516 HydrophobicContact CB-CB 4.41Å; K471-V516 HydrophobicContact CB-CG2 4.49Å; K471-V516 WeakPolarHBondContact O-CB 3.48Å; K471-V516 PolarHBondContact O-N 3.01Å; K471-S519 PolarHBondContact N-OG 3.48Å
472	L	96	Very high	89.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.2	175.9	-46.6	177.4	0	0	0	109.6	I454 V467 T485 L486 F492 V513 R514 S519 L521	I454-L472 HydrophobicContact CD1-CD1 4.05Å; I454-L472 HydrophobicContact CD1-CD2 3.5Å; I454-L472 HydrophobicContact CD1-CG 4.31Å; V467-L472 HydrophobicContact CG2-CD1 3.6Å; V467-L472 HydrophobicContact CG2-CG 4.2Å; L472-T485 CarbonylContact O-C 3.45Å; L472-T485 VanDerWaalsContact O-CA 3.28Å; L472-T485 WeakPolarHBondContact O-CA 3.44Å; L472-T485 WeakPolarHBondContact O-CG2 3.41Å; L472-L486 HydrophobicContact CB-CB 4.17Å; L472-L486 PolarHBondContact N-O 2.87Å; L472-L486 PolarHBondContact O-N 3.31Å; L472-F492 HydrophobicContact CD1-CD1 3.99Å; L472-F492 HydrophobicContact CD1-CE1 3.17Å; L472-F492 HydrophobicContact CD1-CZ 3.49Å; L472-F492 VanDerWaalsContact CD1-CZ 3.49Å; L472-V513 HydrophobicContact CB-CG1 3.93Å; L472-V513 HydrophobicContact CD1-CG1 4Å; L472-R514 CarbonylContact C-O 3.41Å; L472-R514 WeakPolarHBondContact CA-O 3.36Å; L472-S519 WeakPolarHBondContact CD2-OG 3.21Å; L472-L521 HydrophobicContact CD1-CD1 4.2Å; L472-L521 HydrophobicContact CD1-CD2 3.88Å; L472-L521 HydrophobicContact CD2-CD2 4.44Å; L472-L521 HydrophobicContact CG-CD2 4.48Å
473	S	94.9	Very high	89.8	Confident	11 Å²	11	57.4 Å²	57.4	8%	0.077	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.8	174.4	-66.9	0	0	0	0	109.7	V475 R514 V516	S473-V475 VanDerWaalsContact O-CG2 3.29Å; S473-V475 WeakPolarHBondContact O-CG2 3.42Å; S473-R514 PolarHBondContact N-O 3.38Å; S473-R514 PolarHBondContact O-N 3.09Å; S473-V516 WeakPolarHBondContact OG-CG2 3.32Å
474	V	93.8	Very high	89.8	Confident	23 Å²	23	58.8 Å²	58.8	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.3	168.8	-173.1	0	0	0	0	107.4	V482 F483 V484 L486 A511 N512 V513	V474-V482 WeakPolarHBondContact O-CA 3.47Å; V474-F483 HydrophobicContact CG1-CD2 4.44Å; V474-F483 PolarHBondContact O-N 3.44Å; V474-V484 HydrophobicContact CG2-CB 4.39Å; V474-V484 PolarHBondContact N-O 2.85Å; V474-L486 HydrophobicContact CG2-CD1 4.03Å; V474-L486 HydrophobicContact CG2-CG 4.17Å; V474-A511 HydrophobicContact CG1-CB 3.69Å; V474-N512 CarbonylContact C-O 3.56Å; V474-N512 WeakPolarHBondContact CA-O 3.47Å; V474-V513 HydrophobicContact CG2-CG2 4.37Å
475	V	93.2	Very high	89.9	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.3	-169	-133.1	0	0	0	0	110.9	S473 G479 T481 V482 N512 R514	S473-V475 VanDerWaalsContact O-CG2 3.29Å; S473-V475 WeakPolarHBondContact O-CG2 3.42Å; V475-G479 VanDerWaalsContact CG1-C 3.46Å; V475-G479 WeakPolarHBondContact CG1-O 3.36Å; V475-T481 WeakPolarHBondContact CA-O 3.44Å; V475-T481 VanDerWaalsContact CG1-O 3.24Å; V475-T481 WeakPolarHBondContact CG1-O 3.45Å; V475-V482 HydrophobicContact CG1-CG2 4.36Å; V475-N512 PolarHBondContact N-O 3.32Å; V475-N512 WeakPolarHBondContact O-CB 3.45Å; V475-R514 HydrophobicContact CG2-CB 3.61Å
476	S	89.2	Confident	89.9	Confident	27 Å²	27	63.1 Å²	63.1	19%	0.189	32%	0.322	C	S	.	.			trans	-64.2	169.1	168.5	-172.1	0	0	0	0	112.2	D478 G479 T481 N512	S476-D478 PolarHBondContact O-N 3.25Å; S476-G479 PolarHBondContact O-N 3.09Å; S476-T481 WeakPolarHBondContact CB-OG1 3.41Å; S476-T481 PolarHBondContact N-O 2.82Å; S476-N512 PolarHBondContact O-ND2 3.33Å
477	E	86.2	Confident	89.9	Confident	131 Å²	131	64.7 Å²	64.7	61%	0.612	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33.6	174	-68.3	177.1	-167.1	0	0	111.7	K457 G479	K457-E477 HydrophobicContact CD-CG 4.35Å; K457-E477 VanDerWaalsContact CD-OE1 3.31Å; K457-E477 WeakPolarHBondContact CD-OE1 3.44Å; K457-E477 WeakPolarHBondContact CE-OE1 3.29Å; K457-E477 IonicContact NZ-OE1 3.39Å; K457-E477 PolarHBondContact NZ-OE1 2.65Å; E477-G479 PolarHBondContact O-N 3.39Å
478	D	81.8	Confident	89.8	Confident	125 Å²	125	69.8 Å²	69.8	67%	0.668	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.6	176	-56.6	-39.3	0	0	0	114	S476 K480	S476-D478 PolarHBondContact O-N 3.25Å; D478-K480 PolarHBondContact O-N 3.36Å
479	G	80.6	Confident	89.7	Confident	13 Å²	13	68.2 Å²	68.2	13%	0.134	36%	0.358	C	S	.	.	S	Bend	trans	67.1	1	-178.2	0	0	0	0	0	116	V475 S476 E477 R514	V475-G479 VanDerWaalsContact CG1-C 3.46Å; V475-G479 WeakPolarHBondContact CG1-O 3.36Å; S476-G479 PolarHBondContact O-N 3.09Å; E477-G479 PolarHBondContact O-N 3.39Å; G479-R514 PolarHBondContact O-NH1 2.84Å; G479-R514 PolarHBondContact O-NH2 3.43Å
480	K	84.4	Confident	89.7	Confident	183 Å²	183	63.3 Å²	63.3	80%	0.796	34%	0.344	S	S	*	.			trans	-96.8	-45.3	-176.2	-68.7	177.2	-176.2	176.6	0	113.6	D478	D478-K480 PolarHBondContact O-N 3.36Å
481	T	89.2	Confident	89.6	Confident	76 Å²	76	63.6 Å²	63.6	47%	0.466	34%	0.342	S	S	.	.			trans	-86.5	126	-178.2	52.7	0	0	0	0	110.4	V475 S476	V475-T481 WeakPolarHBondContact CA-O 3.44Å; V475-T481 VanDerWaalsContact CG1-O 3.24Å; V475-T481 WeakPolarHBondContact CG1-O 3.45Å; S476-T481 WeakPolarHBondContact CB-OG1 3.41Å; S476-T481 PolarHBondContact N-O 2.82Å
482	V	90.7	Very high	89.3	Confident	71 Å²	71	57.5 Å²	57.5	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.4	176.2	177	0	0	0	0	108.1	V474 V475	V474-V482 WeakPolarHBondContact O-CA 3.47Å; V475-V482 HydrophobicContact CG1-CG2 4.36Å
483	F	88.6	Confident	88.9	Confident	139 Å²	139	58.2 Å²	58.2	61%	0.61	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	-49	177.6	-65.8	-69.4	0	0	0	111.5	V474	V474-F483 HydrophobicContact CG1-CD2 4.44Å; V474-F483 PolarHBondContact O-N 3.44Å
484	V	91.4	Very high	88.3	Confident	82 Å²	82	58.8 Å²	58.8	50%	0.497	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.7	-176	179.9	0	0	0	0	109.4	V474 L486	V474-V484 HydrophobicContact CG2-CB 4.39Å; V474-V484 PolarHBondContact N-O 2.85Å; V484-L486 HydrophobicContact CG1-CD2 4.17Å
485	T	92.9	Very high	87.8	Confident	82 Å²	82	58.3 Å²	58.3	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.8	168.3	-58.6	0	0	0	0	109.4	K471 L472	K471-T485 HydrophobicContact CB-CG2 4.33Å; L472-T485 CarbonylContact O-C 3.45Å; L472-T485 VanDerWaalsContact O-CA 3.28Å; L472-T485 WeakPolarHBondContact O-CA 3.44Å; L472-T485 WeakPolarHBondContact O-CG2 3.41Å
486	L	92.1	Very high	87.2	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.3	178.3	-60.5	177.5	0	0	0	109.3	L472 V474 V484 S490 F492	L472-L486 HydrophobicContact CB-CB 4.17Å; L472-L486 PolarHBondContact N-O 2.87Å; L472-L486 PolarHBondContact O-N 3.31Å; V474-L486 HydrophobicContact CG2-CD1 4.03Å; V474-L486 HydrophobicContact CG2-CG 4.17Å; V484-L486 HydrophobicContact CG1-CD2 4.17Å; L486-S490 WeakPolarHBondContact CB-OG 3.46Å; L486-F492 HydrophobicContact CD1-CB 3.98Å; L486-F492 HydrophobicContact CD1-CD1 4.05Å; L486-F492 HydrophobicContact CD1-CG 4.13Å
487	G	90.4	Very high	86.9	Confident	34 Å²	34	57 Å²	57	35%	0.351	31%	0.312	S	S	.	.			trans	-102.1	-174	175.5	0	0	0	0	0	112.7	V467 S490	V467-G487 WeakPolarHBondContact CB-O 3.48Å; G487-S490 VanDerWaalsContact O-CB 3.31Å; G487-S490 WeakPolarHBondContact O-CB 3.35Å; G487-S490 PolarHBondContact O-N 3.09Å; G487-S490 PolarHBondContact O-OG 3.32Å
488	E	89	Confident	86.5	Confident	107 Å²	107	50.9 Å²	50.9	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.6	178.2	-57.3	-178.3	174.1	0	0	112.1	K468 S490	K468-E488 WeakPolarHBondContact O-CG 3.5Å; E488-S490 VanDerWaalsContact C-N 3.29Å; E488-S490 PolarHBondContact O-N 3.46Å
489	G	85.2	Confident	86.3	Confident	11 Å²	11	49.1 Å²	49.1	11%	0.113	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-0.4	-176.6	0	0	0	0	0	115	V425 V467	V425-G489 WeakPolarHBondContact CG2-O 3.37Å; V467-G489 PolarHBondContact O-N 3.26Å
490	S	88.9	Confident	86.2	Confident	26 Å²	26	49 Å²	49	18%	0.182	27%	0.27	C	S	.	.			trans	-79	150.3	169.6	64.9	0	0	0	0	111.5	V467 L486 G487 E488	V467-S490 VanDerWaalsContact CG2-OG 3.26Å; V467-S490 WeakPolarHBondContact CG2-OG 3.47Å; V467-S490 PolarHBondContact N-O 2.98Å; L486-S490 WeakPolarHBondContact CB-OG 3.46Å; G487-S490 VanDerWaalsContact O-CB 3.31Å; G487-S490 WeakPolarHBondContact O-CB 3.35Å; G487-S490 PolarHBondContact O-N 3.09Å; G487-S490 PolarHBondContact O-OG 3.32Å; E488-S490 VanDerWaalsContact C-N 3.29Å; E488-S490 PolarHBondContact O-N 3.46Å
491	V	88.6	Confident	85.7	Confident	23 Å²	23	42 Å²	42	14%	0.139	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.6	176.1	-179.1	0	0	0	0	108	V425 I427 Y465 I466 E494	V425-V491 HydrophobicContact CB-CG2 4.19Å; V425-V491 HydrophobicContact CG1-CG2 3.27Å; V425-V491 HydrophobicContact CG2-CG2 3.86Å; I427-V491 HydrophobicContact CD1-CB 4.17Å; I427-V491 HydrophobicContact CD1-CG1 4.19Å; I427-V491 HydrophobicContact CD1-CG2 4.36Å; Y465-V491 WeakPolarHBondContact O-CA 3.29Å; I466-V491 HydrophobicContact CG1-CG2 4.13Å; I466-V491 HydrophobicContact CG2-CG2 4.31Å; V491-E494 HydrophobicContact CG1-CB 4.43Å
492	F	89.3	Confident	85	Confident	13 Å²	13	38.9 Å²	38.9	6%	0.057	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.7	172.3	67.9	-81.9	0	0	0	111.2	I454 Y465 V467 L472 L486 E494 V513 L521	I454-F492 HydrophobicContact CB-CE2 4.37Å; I454-F492 HydrophobicContact CB-CZ 4.39Å; I454-F492 HydrophobicContact CG2-CE2 3.86Å; I454-F492 HydrophobicContact CG2-CZ 3.86Å; Y465-F492 VanDerWaalsContact CB-CE1 3.4Å; Y465-F492 HydrophobicContact CD2-CD2 4.16Å; Y465-F492 AromaticContact CD2-CE2 3.48Å; Y465-F492 HydrophobicContact CD2-CE2 3.48Å; Y465-F492 VanDerWaalsContact CD2-CE2 3.48Å; Y465-F492 AromaticContact CD2-CZ 3.77Å; Y465-F492 HydrophobicContact CD2-CZ 3.77Å; Y465-F492 HydrophobicContact CE2-CE2 4.4Å; Y465-F492 HydrophobicContact CG-CE1 4.34Å; Y465-F492 AromaticContact CG-CE2 3.99Å; Y465-F492 HydrophobicContact CG-CE2 3.99Å; Y465-F492 AromaticContact CG-CZ 3.78Å; Y465-F492 HydrophobicContact CG-CZ 3.78Å; Y465-F492 PolarHBondContact N-O 3.3Å; Y465-F492 PolarHBondContact O-N 2.93Å; V467-F492 HydrophobicContact CG2-CD1 4.21Å; V467-F492 HydrophobicContact CG2-CE1 3.97Å; L472-F492 HydrophobicContact CD1-CD1 3.99Å; L472-F492 HydrophobicContact CD1-CE1 3.17Å; L472-F492 HydrophobicContact CD1-CZ 3.49Å; L472-F492 VanDerWaalsContact CD1-CZ 3.49Å; L486-F492 HydrophobicContact CD1-CB 3.98Å; L486-F492 HydrophobicContact CD1-CD1 4.05Å; L486-F492 HydrophobicContact CD1-CG 4.13Å; F492-E494 VanDerWaalsContact C-N 3.32Å; F492-E494 WeakPolarHBondContact CA-OE2 3.43Å; F492-V513 HydrophobicContact CD2-CB 4.41Å; F492-V513 HydrophobicContact CD2-CG1 4.27Å; F492-V513 HydrophobicContact CD2-CG2 4.03Å; F492-V513 HydrophobicContact CE2-CB 4.2Å; F492-V513 HydrophobicContact CE2-CG1 3.95Å; F492-V513 HydrophobicContact CE2-CG2 4.31Å; F492-V513 HydrophobicContact CZ-CG1 4.18Å; F492-L521 HydrophobicContact CE1-CD1 4.1Å; F492-L521 HydrophobicContact CE1-CD2 4.39Å; F492-L521 HydrophobicContact CZ-CD1 3.71Å
493	G	87.3	Confident	84.5	Confident	14 Å²	14	36.3 Å²	36.3	14%	0.144	21%	0.213	C	C	.	.	S	Bend	trans	84.1	6.9	-179.2	0	0	0	0	0	114.4	I495 R509	G493-I495 VanDerWaalsContact C-N 3.3Å; G493-I495 PolarHBondContact O-N 2.98Å; G493-R509 PolarHBondContact O-NH1 3.38Å; G493-R509 VanDerWaalsContact O-NH1 3.1Å
494	E	82.3	Confident	84	Confident	23 Å²	23	35.9 Å²	35.9	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-32.4	176.3	71.3	-79.8	-161.5	0	0	112.3	V491 F492 S496 I497 L498	V491-E494 HydrophobicContact CG1-CB 4.43Å; F492-E494 VanDerWaalsContact C-N 3.32Å; F492-E494 WeakPolarHBondContact CA-OE2 3.43Å; E494-S496 PolarHBondContact O-N 3.3Å; E494-I497 WeakPolarHBondContact O-CG1 3.47Å; E494-L498 VanDerWaalsContact O-CD1 3.22Å; E494-L498 WeakPolarHBondContact O-CD1 3.26Å; E494-L498 WeakPolarHBondContact O-CG 3.5Å; E494-L498 PolarHBondContact O-N 2.74Å
495	I	82.8	Confident	83.2	Confident	13 Å²	13	33.6 Å²	33.6	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-42.7	-176.2	-61.1	164.4	0	0	0	111.8	G493 I497 L498 I550 L551	G493-I495 VanDerWaalsContact C-N 3.3Å; G493-I495 PolarHBondContact O-N 2.98Å; I495-I497 VanDerWaalsContact C-N 3.27Å; I495-I497 PolarHBondContact O-N 3.05Å; I495-L498 PolarHBondContact O-N 2.7Å; I495-L498 VanDerWaalsContact O-O 3.09Å; I495-I550 HydrophobicContact CD1-CB 4.27Å; I495-I550 HydrophobicContact CD1-CG2 3.64Å; I495-L551 HydrophobicContact CG2-CD1 4.1Å; I495-L551 HydrophobicContact CG2-CD2 3.7Å; I495-L551 HydrophobicContact CG2-CG 3.91Å
496	S	79.7	Confident	82.7	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-21.5	-174.2	-52.7	0	0	0	0	113.6	E494 R508	E494-S496 PolarHBondContact O-N 3.3Å; S496-R508 PolarHBondContact OG-O 3.49Å
497	I	82.6	Confident	82.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-91.4	-21	178.9	61.6	175.2	0	0	0	112.4	M464 E494 I495 N499 K526 L529 W530	M464-I497 HydrophobicContact CB-CD1 3.59Å; M464-I497 HydrophobicContact CG-CD1 3.67Å; M464-I497 HydrophobicContact SD-CD1 3.78Å; E494-I497 WeakPolarHBondContact O-CG1 3.47Å; I495-I497 VanDerWaalsContact C-N 3.27Å; I495-I497 PolarHBondContact O-N 3.05Å; I497-N499 PolarHBondContact O-N 2.82Å; I497-K526 HydrophobicContact CB-CB 4.22Å; I497-K526 HydrophobicContact CB-CD 4.46Å; I497-K526 HydrophobicContact CB-CG 4.17Å; I497-K526 HydrophobicContact CG2-CB 3.99Å; I497-K526 HydrophobicContact CG2-CG 4.41Å; I497-L529 HydrophobicContact CD1-CD2 3.26Å; I497-L529 HydrophobicContact CG1-CD2 4.11Å; I497-W530 PolarHBondContact O-NE1 2.99Å
498	L	78.1	Confident	82.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	-82.5	107.1	172.2	-62.8	164.3	0	0	0	108.7	E494 I495 I500 L543 M544	E494-L498 VanDerWaalsContact O-CD1 3.22Å; E494-L498 WeakPolarHBondContact O-CD1 3.26Å; E494-L498 WeakPolarHBondContact O-CG 3.5Å; E494-L498 PolarHBondContact O-N 2.74Å; I495-L498 PolarHBondContact O-N 2.7Å; I495-L498 VanDerWaalsContact O-O 3.09Å; L498-I500 HydrophobicContact CB-CD1 3.92Å; L498-I500 HydrophobicContact CB-CG1 3.82Å; L498-I500 HydrophobicContact CD1-CD1 4.38Å; L498-I500 PolarHBondContact O-N 3.39Å; L498-L543 HydrophobicContact CD1-CD2 3.38Å; L498-L543 HydrophobicContact CD2-CD2 3.11Å; L498-L543 HydrophobicContact CG-CD2 3.65Å; L498-M544 HydrophobicContact CD2-CG 4.46Å
499	N	77.8	Confident	82.2	Confident	88 Å²	88	34.1 Å²	34.1	47%	0.471	19%	0.189	S	C	.	.			trans	-68.1	62.7	176	-63.5	-36.7	0	0	0	111.3	I497 A501 N507 K526 W530	I497-N499 PolarHBondContact O-N 2.82Å; N499-A501 PolarHBondContact O-N 3.23Å; N499-N507 PolarHBondContact OD1-OD1 2.97Å; N499-K526 PolarHBondContact OD1-NZ 2.54Å; N499-W530 HydrophobicContact CB-CZ2 4.43Å
500	I	79.9	Confident	82.2	Confident	10 Å²	10	35.5 Å²	35.5	5%	0.051	20%	0.197	C	C	.	.			trans	-74.5	122.1	-178.7	-60.7	169	0	0	0	108.1	L498 G502 N503 Q548 L551 L557	L498-I500 HydrophobicContact CB-CD1 3.92Å; L498-I500 HydrophobicContact CB-CG1 3.82Å; L498-I500 HydrophobicContact CD1-CD1 4.38Å; L498-I500 PolarHBondContact O-N 3.39Å; I500-G502 PolarHBondContact O-N 3.17Å; I500-N503 WeakPolarHBondContact O-CB 3.3Å; I500-N503 PolarHBondContact O-N 3.42Å; I500-Q548 HydrophobicContact CG2-CG 3.89Å; I500-L551 HydrophobicContact CB-CD1 4.16Å; I500-L551 HydrophobicContact CD1-CD1 3.72Å; I500-L551 HydrophobicContact CG2-CD1 4.04Å; I500-L557 HydrophobicContact CG2-CD1 4.12Å
501	A	73	Confident	82.2	Confident	38 Å²	38	35.8 Å²	35.8	31%	0.314	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	135.2	174.9	0	0	0	0	0	110.6	N499 N503 L562 A565	N499-A501 PolarHBondContact O-N 3.23Å; A501-N503 VanDerWaalsContact C-N 3.35Å; A501-L562 WeakPolarHBondContact O-CD1 3.45Å; A501-A565 HydrophobicContact CB-CB 3.23Å
502	G	74	Confident	82.4	Confident	10 Å²	10	35.5 Å²	35.5	10%	0.103	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	5.7	-176.9	0	0	0	0	0	115	I500 K504 D558	I500-G502 PolarHBondContact O-N 3.17Å; G502-K504 PolarHBondContact O-N 3.33Å; G502-K504 VanDerWaalsContact O-N 3.15Å; G502-D558 WeakPolarHBondContact O-CB 3.42Å; G502-D558 PolarHBondContact O-N 3.46Å
503	N	80.6	Confident	82.6	Confident	17 Å²	17	35.2 Å²	35.2	9%	0.091	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-67.4	113	169.6	-179.4	3.9	0	0	0	110.2	I500 A501 T505 G506 L551	I500-N503 WeakPolarHBondContact O-CB 3.3Å; I500-N503 PolarHBondContact O-N 3.42Å; A501-N503 VanDerWaalsContact C-N 3.35Å; N503-T505 VanDerWaalsContact CG-OG1 3.31Å; N503-T505 PolarHBondContact ND2-OG1 3.25Å; N503-T505 VanDerWaalsContact ND2-OG1 3.16Å; N503-T505 PolarHBondContact O-N 2.85Å; N503-T505 PolarHBondContact OD1-N 3.06Å; N503-T505 PolarHBondContact OD1-OG1 3.43Å; N503-G506 PolarHBondContact ND2-O 3.3Å; N503-G506 PolarHBondContact O-N 2.85Å; N503-L551 HydrophobicContact CB-CD1 4Å; N503-L551 WeakPolarHBondContact OD1-CD2 3.42Å
504	K	77.3	Confident	83	Confident	129 Å²	129	37.6 Å²	37.6	56%	0.561	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.8	178.3	-67	177.8	-172.1	166.5	0	113.1	G502 N555 L556 D558	G502-K504 PolarHBondContact O-N 3.33Å; G502-K504 VanDerWaalsContact O-N 3.15Å; K504-N555 PolarHBondContact NZ-O 3.45Å; K504-L556 WeakPolarHBondContact CB-O 3.36Å; K504-L556 WeakPolarHBondContact CG-O 3.47Å; K504-L556 PolarHBondContact N-O 2.83Å; K504-D558 HydrophobicContact CG-CB 4.45Å
505	T	76.4	Confident	83.6	Confident	34 Å²	34	36.5 Å²	36.5	21%	0.209	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.6	178.1	62.3	0	0	0	0	113.5	N503 N507 R508 L556	N503-T505 VanDerWaalsContact CG-OG1 3.31Å; N503-T505 PolarHBondContact ND2-OG1 3.25Å; N503-T505 VanDerWaalsContact ND2-OG1 3.16Å; N503-T505 PolarHBondContact O-N 2.85Å; N503-T505 PolarHBondContact OD1-N 3.06Å; N503-T505 PolarHBondContact OD1-OG1 3.43Å; T505-N507 PolarHBondContact O-N 2.71Å; T505-R508 VanDerWaalsContact O-CB 3.29Å; T505-R508 WeakPolarHBondContact O-CB 3.46Å; T505-R508 PolarHBondContact O-N 3.38Å; T505-L556 HydrophobicContact CG2-CD1 4.11Å; T505-L556 HydrophobicContact CG2-CD2 4.06Å
506	G	81.1	Confident	84.1	Confident	34 Å²	34	39.9 Å²	39.9	35%	0.351	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-130.7	-176	0	0	0	0	0	112.4	N503 R508	N503-G506 PolarHBondContact ND2-O 3.3Å; N503-G506 PolarHBondContact O-N 2.85Å; G506-R508 VanDerWaalsContact C-N 3.25Å; G506-R508 PolarHBondContact O-N 2.87Å
507	N	83.9	Confident	84.8	Confident	75 Å²	75	41 Å²	41	40%	0.401	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	13.6	177.4	-65.8	-23.1	0	0	0	113.2	G461 N499 T505	G461-N507 PolarHBondContact N-O 2.84Å; N499-N507 PolarHBondContact OD1-OD1 2.97Å; T505-N507 PolarHBondContact O-N 2.71Å
508	R	88.5	Confident	85.3	Confident	141 Å²	141	44.3 Å²	44.3	53%	0.532	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-89.6	155.7	179.9	-60.5	-174.8	177.2	-88.8	2	111.4	G458 D459 S496 T505 G506	G458-R508 WeakPolarHBondContact O-CD 3.47Å; G458-R508 PolarHBondContact O-NH1 2.85Å; D459-R508 CarbonylContact O-C 3.52Å; D459-R508 WeakPolarHBondContact O-CA 3.5Å; S496-R508 PolarHBondContact OG-O 3.49Å; T505-R508 VanDerWaalsContact O-CB 3.29Å; T505-R508 WeakPolarHBondContact O-CB 3.46Å; T505-R508 PolarHBondContact O-N 3.38Å; G506-R508 VanDerWaalsContact C-N 3.25Å; G506-R508 PolarHBondContact O-N 2.87Å
509	R	89.2	Confident	85.9	Confident	14 Å²	14	44.2 Å²	44.2	5%	0.053	24%	0.243	C	C	.	.			trans	-73.1	136.5	174.2	-63.8	-67.3	-167.1	-165.8	4.9	110	C455 R456 G458 D459 E463 G493	C455-R509 HydrophobicContact CB-CG 4.04Å; R456-R509 VanDerWaalsContact O-CB 3.28Å; R456-R509 WeakPolarHBondContact O-CB 3.31Å; G458-R509 PolarHBondContact N-O 3.46Å; D459-R509 HydrophobicContact CB-CG 4.07Å; D459-R509 WeakPolarHBondContact O-CG 3.44Å; D459-R509 PolarHBondContact O-N 3.24Å; E463-R509 PolarHBondContact O-NH1 2.97Å; E463-R509 PolarHBondContact O-NH2 2.84Å; G493-R509 PolarHBondContact O-NH1 3.38Å; G493-R509 VanDerWaalsContact O-NH1 3.1Å
510	S	85.3	Confident	86.6	Confident	40 Å²	40	40.3 Å²	40.3	28%	0.28	22%	0.222	S	C	.	.	S	Bend	trans	-84.8	-23.7	-177.2	53.4	0	0	0	0	114.3	K457	K457-S510 WeakPolarHBondContact CG-O 3.44Å
511	A	88.1	Confident	87.1	Confident	32 Å²	32	39.8 Å²	39.8	26%	0.264	22%	0.219	S	C	.	.	S	Bend	trans	-144.7	160.9	-174.1	0	0	0	0	0	112.6	V474	V474-A511 HydrophobicContact CG1-CB 3.69Å
512	N	92.8	Very high	87.9	Confident	17 Å²	17	38.1 Å²	38.1	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.4	170.5	-54.5	-57.2	0	0	0	109.7	Y453 C455 R456 K457 V474 V475 S476	Y453-N512 HydrophobicContact CD1-CB 4.1Å; Y453-N512 HydrophobicContact CE1-CB 3.95Å; C455-N512 WeakPolarHBondContact O-CA 3.33Å; R456-N512 VanDerWaalsContact CA-OD1 3.24Å; R456-N512 WeakPolarHBondContact CA-OD1 3.42Å; K457-N512 PolarHBondContact N-OD1 3.19Å; V474-N512 CarbonylContact C-O 3.56Å; V474-N512 WeakPolarHBondContact CA-O 3.47Å; V475-N512 PolarHBondContact N-O 3.32Å; V475-N512 WeakPolarHBondContact O-CB 3.45Å; S476-N512 PolarHBondContact O-ND2 3.33Å
513	V	94.5	Very high	88.7	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.2	175	-176.1	0	0	0	0	108.9	Y453 I454 C455 L472 V474 F492	Y453-V513 CarbonylContact C-O 3.56Å; Y453-V513 WeakPolarHBondContact CA-O 3.25Å; I454-V513 HydrophobicContact CD1-CG1 4.08Å; I454-V513 PolarHBondContact N-O 3.46Å; C455-V513 PolarHBondContact O-N 2.92Å; C455-V513 VanDerWaalsContact SG-CG2 3.54Å; L472-V513 HydrophobicContact CB-CG1 3.93Å; L472-V513 HydrophobicContact CD1-CG1 4Å; V474-V513 HydrophobicContact CG2-CG2 4.37Å; F492-V513 HydrophobicContact CD2-CB 4.41Å; F492-V513 HydrophobicContact CD2-CG1 4.27Å; F492-V513 HydrophobicContact CD2-CG2 4.03Å; F492-V513 HydrophobicContact CE2-CB 4.2Å; F492-V513 HydrophobicContact CE2-CG1 3.95Å; F492-V513 HydrophobicContact CE2-CG2 4.31Å; F492-V513 HydrophobicContact CZ-CG1 4.18Å
514	R	94.6	Very high	89.2	Confident	64 Å²	64	36.9 Å²	36.9	24%	0.242	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.4	-178.3	-174.8	175.6	65.9	-156.7	-1.9	111.1	G451 D452 Y453 L472 S473 V475 G479	G451-R514 WeakPolarHBondContact O-CG 3.27Å; D452-R514 CarbonylContact O-C 3.49Å; D452-R514 VanDerWaalsContact O-CA 3.27Å; D452-R514 WeakPolarHBondContact O-CA 3.46Å; Y453-R514 HydrophobicContact CD1-CB 4.29Å; Y453-R514 HydrophobicContact CD2-CG 4.44Å; Y453-R514 HydrophobicContact CE1-CB 4.26Å; Y453-R514 HydrophobicContact CE2-CG 4.36Å; Y453-R514 PolarHBondContact OH-NH1 2.91Å; L472-R514 CarbonylContact C-O 3.41Å; L472-R514 WeakPolarHBondContact CA-O 3.36Å; S473-R514 PolarHBondContact N-O 3.38Å; S473-R514 PolarHBondContact O-N 3.09Å; V475-R514 HydrophobicContact CG2-CB 3.61Å; G479-R514 PolarHBondContact O-NH1 2.84Å; G479-R514 PolarHBondContact O-NH2 3.43Å
515	S	95.3	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.3	172.8	-162.3	0	0	0	0	111.3	G451 D452 G517 S519	G451-S515 WeakPolarHBondContact CA-O 3.39Å; G451-S515 PolarHBondContact N-O 2.92Å; D452-S515 PolarHBondContact O-N 3.28Å; S515-G517 PolarHBondContact OG-O 3.05Å; S515-S519 VanDerWaalsContact OG-CB 3.32Å; S515-S519 WeakPolarHBondContact OG-CB 3.44Å; S515-S519 PolarHBondContact OG-OG 2.86Å
516	V	93.8	Very high	90.4	Very high	84 Å²	84	32.5 Å²	32.5	51%	0.509	18%	0.178	S	C	.	.	S	Bend	trans	-79.3	-37.7	176.1	-179.5	0	0	0	0	110.8	K471 S473	K471-V516 HydrophobicContact CB-CB 4.41Å; K471-V516 HydrophobicContact CB-CG2 4.49Å; K471-V516 WeakPolarHBondContact O-CB 3.48Å; K471-V516 PolarHBondContact O-N 3.01Å; S473-V516 WeakPolarHBondContact OG-CG2 3.32Å
517	G	93.4	Very high	90.9	Very high	26 Å²	26	36.6 Å²	36.6	27%	0.268	19%	0.192	S	C	.	.	S	Bend	trans	-131.3	-156.8	179.2	0	0	0	0	0	110.9	S449 P450 S515	S449-G517 CarbonylContact C-O 3.53Å; P450-G517 WeakPolarHBondContact CA-O 3.31Å; S515-G517 PolarHBondContact OG-O 3.05Å
518	Y	93	Very high	91.1	Very high	68 Å²	68	35.3 Å²	35.3	27%	0.267	19%	0.185	S	C	.	.			trans	-72.5	129.9	162.7	-71.8	-85.2	0	0	0	109.1	Y389 F448 P450	Y389-Y518 AromaticContact CD1-CD1 3.65Å; Y389-Y518 HydrophobicContact CD1-CD1 3.65Å; Y389-Y518 HydrophobicContact CD1-CE1 4.04Å; Y389-Y518 HydrophobicContact CD1-CG 4.15Å; Y389-Y518 AromaticContact CD2-CD1 3.67Å; Y389-Y518 HydrophobicContact CD2-CD1 3.67Å; Y389-Y518 AromaticContact CD2-CD2 3.53Å; Y389-Y518 HydrophobicContact CD2-CD2 3.53Å; Y389-Y518 AromaticContact CD2-CE1 3.94Å; Y389-Y518 HydrophobicContact CD2-CE1 3.94Å; Y389-Y518 AromaticContact CD2-CE2 3.79Å; Y389-Y518 HydrophobicContact CD2-CE2 3.79Å; Y389-Y518 AromaticContact CD2-CG 3.46Å; Y389-Y518 HydrophobicContact CD2-CG 3.46Å; Y389-Y518 VanDerWaalsContact CD2-CG 3.46Å; Y389-Y518 AromaticContact CD2-CZ 3.99Å; Y389-Y518 AromaticContact CE1-CD1 3.86Å; Y389-Y518 HydrophobicContact CE1-CD1 3.86Å; Y389-Y518 HydrophobicContact CE1-CG 4.05Å; Y389-Y518 AromaticContact CE2-CD1 3.85Å; Y389-Y518 HydrophobicContact CE2-CD1 3.85Å; Y389-Y518 AromaticContact CE2-CD2 3.59Å; Y389-Y518 HydrophobicContact CE2-CD2 3.59Å; Y389-Y518 HydrophobicContact CE2-CE2 4.32Å; Y389-Y518 AromaticContact CE2-CG 3.3Å; Y389-Y518 HydrophobicContact CE2-CG 3.3Å; Y389-Y518 AromaticContact CG-CD1 3.56Å; Y389-Y518 HydrophobicContact CG-CD1 3.56Å; Y389-Y518 HydrophobicContact CG-CD2 4.24Å; Y389-Y518 AromaticContact CG-CE1 3.63Å; Y389-Y518 HydrophobicContact CG-CE1 3.63Å; Y389-Y518 HydrophobicContact CG-CE2 4.29Å; Y389-Y518 AromaticContact CG-CG 3.88Å; Y389-Y518 HydrophobicContact CG-CG 3.88Å; Y389-Y518 AromaticContact CG-CZ 4Å; Y389-Y518 AromaticContact CZ-CD1 3.94Å; Y389-Y518 AromaticContact CZ-CG 3.62Å; Y389-Y518 WeakPolarHBondContact OH-CB 3.28Å; F448-Y518 WeakPolarHBondContact O-CA 3.49Å; P450-Y518 HydrophobicContact CG-CD2 3.82Å; P450-Y518 HydrophobicContact CG-CE2 3.86Å; P450-Y518 HydrophobicContact CG-CG 4.3Å
519	S	92.4	Very high	91.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.9	-176.1	-84.4	0	0	0	0	111.1	V447 F448 R469 K471 L472 S515	V447-S519 WeakPolarHBondContact CA-O 3.25Å; F448-S519 PolarHBondContact N-O 2.89Å; F448-S519 PolarHBondContact O-N 3.05Å; R469-S519 WeakPolarHBondContact O-CA 3.45Å; K471-S519 PolarHBondContact N-OG 3.48Å; L472-S519 WeakPolarHBondContact CD2-OG 3.21Å; S515-S519 VanDerWaalsContact OG-CB 3.32Å; S515-S519 WeakPolarHBondContact OG-CB 3.44Å; S515-S519 PolarHBondContact OG-OG 2.86Å
520	D	90.6	Very high	91	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.032	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116	174.3	-60	-30.5	0	0	0	108.1	Q395 L445 K468 R469	Q395-D520 PolarHBondContact NE2-OD1 2.77Å; Q395-D520 PolarHBondContact NE2-OD2 2.99Å; L445-D520 HydrophobicContact CD1-CB 4.16Å; K468-D520 HydrophobicContact CB-CB 4.29Å; K468-D520 WeakPolarHBondContact CB-O 3.49Å; K468-D520 HydrophobicContact CD-CB 4.36Å; K468-D520 PolarHBondContact N-O 2.9Å; R469-D520 HydrophobicContact CB-CB 3.98Å; R469-D520 PolarHBondContact N-O 3.16Å; R469-D520 VanDerWaalsContact N-O 3.16Å; R469-D520 PolarHBondContact O-N 3.24Å
521	L	91.6	Very high	91.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.8	-179.5	-53.8	-173.1	0	0	0	109.7	Q446 F448 I454 Y465 I466 V467 L472 F492	Q446-L521 PolarHBondContact N-O 2.82Å; Q446-L521 PolarHBondContact O-N 3.22Å; F448-L521 HydrophobicContact CD2-CB 4.47Å; F448-L521 HydrophobicContact CD2-CD1 3.57Å; F448-L521 HydrophobicContact CD2-CG 3.94Å; F448-L521 HydrophobicContact CE2-CB 4.36Å; F448-L521 HydrophobicContact CE2-CD1 3.64Å; F448-L521 HydrophobicContact CE2-CG 4.21Å; I454-L521 HydrophobicContact CD1-CD1 4.14Å; I454-L521 HydrophobicContact CG1-CD1 3.93Å; I454-L521 HydrophobicContact CG2-CD1 3.99Å; Y465-L521 HydrophobicContact CD1-CB 4.34Å; Y465-L521 HydrophobicContact CD1-CD1 4.38Å; Y465-L521 HydrophobicContact CG-CD1 4.39Å; I466-L521 CarbonylContact O-C 3.59Å; I466-L521 WeakPolarHBondContact O-CA 3.37Å; V467-L521 HydrophobicContact CB-CD2 4.18Å; V467-L521 HydrophobicContact CG1-CD2 4.2Å; V467-L521 HydrophobicContact CG2-CD2 3.91Å; L472-L521 HydrophobicContact CD1-CD1 4.2Å; L472-L521 HydrophobicContact CD1-CD2 3.88Å; L472-L521 HydrophobicContact CD2-CD2 4.44Å; L472-L521 HydrophobicContact CG-CD2 4.48Å; F492-L521 HydrophobicContact CE1-CD1 4.1Å; F492-L521 HydrophobicContact CE1-CD2 4.39Å; F492-L521 HydrophobicContact CZ-CD1 3.71Å
522	F	89.6	Confident	91	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.7	162.6	-66	-67.1	0	0	0	109.3	H418 T421 L443 Q444 L445 Y465 I466 K468	H418-F522 HydrophobicContact CB-CZ 4.37Å; H418-F522 AromaticContact CD2-CE1 4Å; H418-F522 AromaticContact CD2-CZ 3.98Å; H418-F522 AromaticContact CE1-CE1 3.66Å; H418-F522 AromaticContact CE1-CZ 3.4Å; H418-F522 VanDerWaalsContact CE1-CZ 3.4Å; H418-F522 WeakPolarHBondContact CE1-CZ 3.42Å; H418-F522 AromaticContact CG-CZ 3.62Å; H418-F522 AromaticContact ND1-CE1 3.91Å; H418-F522 AromaticContact ND1-CZ 3.23Å; H418-F522 WeakPolarHBondContact ND1-CZ 3.44Å; H418-F522 AromaticContact NE2-CE1 3.71Å; H418-F522 AromaticContact NE2-CZ 3.85Å; T421-F522 HydrophobicContact CG2-CE2 4.36Å; L443-F522 HydrophobicContact CB-CB 4.21Å; L443-F522 HydrophobicContact CB-CD1 4.01Å; L443-F522 HydrophobicContact CB-CG 4.34Å; L443-F522 HydrophobicContact CD1-CB 4.17Å; L443-F522 HydrophobicContact CD1-CD1 4.43Å; L443-F522 HydrophobicContact CD1-CG 4.14Å; L443-F522 HydrophobicContact CD2-CB 3.98Å; L443-F522 HydrophobicContact CG-CB 4.32Å; Q444-F522 CarbonylContact O-C 3.58Å; Q444-F522 WeakPolarHBondContact O-CA 3.19Å; L445-F522 HydrophobicContact CD1-CD1 4.18Å; L445-F522 HydrophobicContact CD1-CE1 3.93Å; L445-F522 HydrophobicContact CD1-CZ 4.45Å; Y465-F522 CarbonylContact C-O 3.54Å; Y465-F522 VanDerWaalsContact CA-O 3.24Å; Y465-F522 WeakPolarHBondContact CA-O 3.31Å; I466-F522 HydrophobicContact CB-CB 4.22Å; I466-F522 PolarHBondContact N-O 2.98Å; I466-F522 PolarHBondContact O-N 3.19Å; K468-F522 HydrophobicContact CB-CD2 3.94Å; K468-F522 HydrophobicContact CB-CE2 3.62Å; K468-F522 HydrophobicContact CB-CZ 4.31Å; K468-F522 HydrophobicContact CD-CE1 4.39Å; K468-F522 HydrophobicContact CD-CE2 3.64Å; K468-F522 HydrophobicContact CD-CZ 3.5Å; K468-F522 VanDerWaalsContact CD-CZ 3.5Å; K468-F522 HydrophobicContact CG-CD2 4.4Å; K468-F522 HydrophobicContact CG-CE2 3.58Å; K468-F522 HydrophobicContact CG-CZ 4Å
523	C	91	Very high	90.6	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133.2	172	-177.2	0	0	0	0	109.8	Q444 Q446 E463 M464 Y465	Q444-C523 HydrophobicContact CB-CB 4.5Å; Q444-C523 PolarHBondContact N-O 3.5Å; Q444-C523 PolarHBondContact O-N 3.26Å; Q446-C523 HydrophobicContact CG-CB 4.08Å; E463-C523 VanDerWaalsContact CB-SG 3.59Å; E463-C523 VanDerWaalsContact CG-SG 3.58Å; E463-C523 PolarHBondContact OE2-SG 3.37Å; M464-C523 WeakPolarHBondContact O-CA 3.47Å; Y465-C523 HydrophobicContact CD1-CB 3.95Å; Y465-C523 HydrophobicContact CE1-CB 3.78Å
524	L	89.9	Confident	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.3	167.7	-173	70.2	0	0	0	109.3	L439 K442 L443 E463 M464 D528 L529	L439-L524 HydrophobicContact CD2-CD1 4.39Å; L439-L524 HydrophobicContact CD2-CD2 3.65Å; K442-L524 HydrophobicContact CB-CD1 3.83Å; L443-L524 HydrophobicContact CD2-CB 3.88Å; L443-L524 HydrophobicContact CD2-CD1 4.13Å; L443-L524 HydrophobicContact CD2-CG 4.47Å; E463-L524 CarbonylContact C-O 3.56Å; E463-L524 VanDerWaalsContact CA-O 3.27Å; E463-L524 WeakPolarHBondContact CA-O 3.41Å; M464-L524 HydrophobicContact CE-CB 3.85Å; M464-L524 HydrophobicContact CE-CD2 3.25Å; M464-L524 HydrophobicContact CE-CG 4.19Å; M464-L524 HydrophobicContact CG-CB 3.82Å; M464-L524 HydrophobicContact CG-CD2 4.41Å; M464-L524 PolarHBondContact N-O 3.06Å; M464-L524 PolarHBondContact O-N 3.1Å; M464-L524 HydrophobicContact SD-CD2 4.14Å; L524-D528 HydrophobicContact CD1-CB 3.89Å; L524-D528 HydrophobicContact CG-CB 4.45Å; L524-L529 HydrophobicContact CD2-CB 3.67Å; L524-L529 HydrophobicContact CD2-CD1 3.66Å; L524-L529 HydrophobicContact CD2-CG 4.17Å; L524-L529 HydrophobicContact CG-CB 4.25Å
525	S	91.6	Very high	89.7	Confident	31 Å²	31	36.1 Å²	36.1	22%	0.217	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	153.9	178.3	86.2	0	0	0	0	111.7	D527 D528 L529	S525-D527 VanDerWaalsContact C-N 3.32Å; S525-D527 PolarHBondContact O-N 3.44Å; S525-D528 WeakPolarHBondContact CB-OD2 3.35Å; S525-D528 PolarHBondContact O-N 2.98Å; S525-D528 VanDerWaalsContact OG-CB 3.22Å; S525-D528 WeakPolarHBondContact OG-CB 3.44Å; S525-D528 PolarHBondContact OG-N 3.42Å; S525-D528 VanDerWaalsContact OG-N 3.12Å; S525-D528 PolarHBondContact OG-OD2 2.91Å; S525-L529 PolarHBondContact O-N 3.41Å
526	K	88.8	Confident	89.2	Confident	40 Å²	40	38.1 Å²	38.1	17%	0.174	20%	0.203	C	C	.	.	H	α-helix	trans	-55.9	-47.8	175.1	176.7	171.9	-176.9	166.9	0	111.1	K462 I497 N499 L529 W530	K462-K526 WeakPolarHBondContact O-CB 3.33Å; K462-K526 PolarHBondContact O-N 2.8Å; I497-K526 HydrophobicContact CB-CB 4.22Å; I497-K526 HydrophobicContact CB-CD 4.46Å; I497-K526 HydrophobicContact CB-CG 4.17Å; I497-K526 HydrophobicContact CG2-CB 3.99Å; I497-K526 HydrophobicContact CG2-CG 4.41Å; N499-K526 PolarHBondContact OD1-NZ 2.54Å; K526-L529 PolarHBondContact O-N 2.87Å; K526-W530 VanDerWaalsContact CG-CD1 3.5Å; K526-W530 WeakPolarHBondContact O-CB 3.22Å; K526-W530 PolarHBondContact O-N 3.22Å
527	D	90.2	Very high	88.7	Confident	119 Å²	119	38.1 Å²	38.1	64%	0.636	21%	0.205	S	C	*	.	H	α-helix	trans	-64.3	-43.9	-176.4	-61.6	-30.9	0	0	0	111.1	S525 L529 W530 D531	S525-D527 VanDerWaalsContact C-N 3.32Å; S525-D527 PolarHBondContact O-N 3.44Å; D527-L529 PolarHBondContact O-N 3.39Å; D527-W530 PolarHBondContact O-N 3.48Å; D527-D531 WeakPolarHBondContact O-CB 3.44Å; D527-D531 PolarHBondContact O-N 2.91Å
528	D	89.8	Confident	88.2	Confident	49 Å²	49	44.2 Å²	44.2	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-41.8	177.5	-76.6	-43	0	0	0	113.2	K442 L524 S525 A532	K442-D528 HydrophobicContact CB-CB 4.2Å; K442-D528 HydrophobicContact CD-CB 3.91Å; K442-D528 HydrophobicContact CG-CB 4.43Å; K442-D528 PolarHBondContact NZ-O 3.17Å; L524-D528 HydrophobicContact CD1-CB 3.89Å; L524-D528 HydrophobicContact CG-CB 4.45Å; S525-D528 WeakPolarHBondContact CB-OD2 3.35Å; S525-D528 PolarHBondContact O-N 2.98Å; S525-D528 VanDerWaalsContact OG-CB 3.22Å; S525-D528 WeakPolarHBondContact OG-CB 3.44Å; S525-D528 PolarHBondContact OG-N 3.42Å; S525-D528 VanDerWaalsContact OG-N 3.12Å; S525-D528 PolarHBondContact OG-OD2 2.91Å; D528-A532 PolarHBondContact O-N 3.47Å; D528-A532 VanDerWaalsContact O-N 3.14Å
529	L	87.3	Confident	87.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-47.1	174.8	-179.1	65.3	0	0	0	110.7	L439 M464 I497 L524 S525 K526 D527 D531 A532 L533	L439-L529 HydrophobicContact CD2-CD1 4.18Å; M464-L529 HydrophobicContact CE-CD1 4.47Å; M464-L529 HydrophobicContact SD-CD2 3.95Å; I497-L529 HydrophobicContact CD1-CD2 3.26Å; I497-L529 HydrophobicContact CG1-CD2 4.11Å; L524-L529 HydrophobicContact CD2-CB 3.67Å; L524-L529 HydrophobicContact CD2-CD1 3.66Å; L524-L529 HydrophobicContact CD2-CG 4.17Å; L524-L529 HydrophobicContact CG-CB 4.25Å; S525-L529 PolarHBondContact O-N 3.41Å; K526-L529 PolarHBondContact O-N 2.87Å; D527-L529 PolarHBondContact O-N 3.39Å; L529-D531 VanDerWaalsContact C-N 3.31Å; L529-D531 PolarHBondContact O-N 3.14Å; L529-A532 PolarHBondContact O-N 3.1Å; L529-L533 HydrophobicContact CD1-CD1 3.99Å; L529-L533 HydrophobicContact CD1-CD2 4.44Å; L529-L533 HydrophobicContact CD1-CG 3.93Å; L529-L533 HydrophobicContact CD2-CD1 4.08Å; L529-L533 HydrophobicContact CG-CD1 3.71Å; L529-L533 HydrophobicContact CG-CG 4.04Å; L529-L533 WeakPolarHBondContact O-CB 3.23Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.44Å; L529-L533 PolarHBondContact O-N 3.14Å
530	W	87.5	Confident	87.2	Confident	52 Å²	52	44.6 Å²	44.6	20%	0.197	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-39.8	-178.6	-85.5	104.1	0	0	0	111.7	I497 N499 K526 D527 L533 T534 K540	I497-W530 PolarHBondContact O-NE1 2.99Å; N499-W530 HydrophobicContact CB-CZ2 4.43Å; K526-W530 VanDerWaalsContact CG-CD1 3.5Å; K526-W530 WeakPolarHBondContact O-CB 3.22Å; K526-W530 PolarHBondContact O-N 3.22Å; D527-W530 PolarHBondContact O-N 3.48Å; W530-L533 PolarHBondContact O-N 3.04Å; W530-T534 WeakPolarHBondContact O-CG2 3.32Å; W530-T534 PolarHBondContact O-N 3.23Å; W530-K540 HydrophobicContact CZ3-CD 4.31Å
531	D	87.9	Confident	86.9	Confident	93 Å²	93	48 Å²	48	50%	0.497	25%	0.25	S	S	.	.	H	α-helix	trans	-59.4	-48.1	173.9	-79.5	-10.7	0	0	0	111.1	D527 L529 T534	D527-D531 WeakPolarHBondContact O-CB 3.44Å; D527-D531 PolarHBondContact O-N 2.91Å; L529-D531 VanDerWaalsContact C-N 3.31Å; L529-D531 PolarHBondContact O-N 3.14Å; D531-T534 PolarHBondContact O-N 3.02Å; D531-T534 PolarHBondContact O-OG1 2.99Å
532	A	85.8	Confident	86.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-42.1	177.2	0	0	0	0	0	112.2	L435 L439 D528 L529 T534 E535 Y536	L435-A532 HydrophobicContact CD1-CB 3.83Å; L439-A532 HydrophobicContact CD2-CB 3.88Å; D528-A532 PolarHBondContact O-N 3.47Å; D528-A532 VanDerWaalsContact O-N 3.14Å; L529-A532 PolarHBondContact O-N 3.1Å; A532-T534 PolarHBondContact O-N 2.95Å; A532-E535 PolarHBondContact O-N 3.3Å; A532-Y536 WeakPolarHBondContact O-CD2 3.28Å; A532-Y536 PolarHBondContact O-N 3.08Å
533	L	84.2	Confident	86.1	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-19.4	177.6	-70.9	-178.8	0	0	0	113.4	L529 W530 E535 Y536 T539 K540	L529-L533 HydrophobicContact CD1-CD1 3.99Å; L529-L533 HydrophobicContact CD1-CD2 4.44Å; L529-L533 HydrophobicContact CD1-CG 3.93Å; L529-L533 HydrophobicContact CD2-CD1 4.08Å; L529-L533 HydrophobicContact CG-CD1 3.71Å; L529-L533 HydrophobicContact CG-CG 4.04Å; L529-L533 WeakPolarHBondContact O-CB 3.23Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.44Å; L529-L533 PolarHBondContact O-N 3.14Å; W530-L533 PolarHBondContact O-N 3.04Å; L533-E535 VanDerWaalsContact C-N 3.31Å; L533-Y536 CarbonylContact O-C 3.51Å; L533-T539 HydrophobicContact CD2-CG2 3.92Å; L533-K540 HydrophobicContact CB-CB 4.17Å; L533-K540 HydrophobicContact CB-CG 4.4Å; L533-K540 HydrophobicContact CD1-CG 4.5Å; L533-K540 HydrophobicContact CD2-CB 4.17Å
534	T	86.3	Confident	85.8	Confident	97 Å²	97	53.3 Å²	53.3	60%	0.595	28%	0.278	S	S	*	.	H	α-helix	trans	-69.9	-29.9	172.9	68.4	0	0	0	0	112.6	W530 D531 A532	W530-T534 WeakPolarHBondContact O-CG2 3.32Å; W530-T534 PolarHBondContact O-N 3.23Å; D531-T534 PolarHBondContact O-N 3.02Å; D531-T534 PolarHBondContact O-OG1 2.99Å; A532-T534 PolarHBondContact O-N 2.95Å
535	E	84.3	Confident	85.5	Confident	86 Å²	86	58.7 Å²	58.7	40%	0.402	30%	0.303	S	S	.	.	H	α-helix	trans	-82.8	-27.1	177.2	-57.6	-149.1	161.1	0	0	112.1	K25 A532 L533 P537	K25-E535 WeakPolarHBondContact CE-OE1 3.46Å; K25-E535 WeakPolarHBondContact CE-OE2 3.29Å; K25-E535 VanDerWaalsContact NZ-CD 3.31Å; K25-E535 IonicContact NZ-OE1 3.17Å; K25-E535 PolarHBondContact NZ-OE1 2.83Å; K25-E535 IonicContact NZ-OE2 3.19Å; K25-E535 PolarHBondContact NZ-OE2 2.74Å; K25-E535 VanDerWaalsContact NZ-OE2 3.13Å; A532-E535 PolarHBondContact O-N 3.3Å; L533-E535 VanDerWaalsContact C-N 3.31Å; E535-P537 WeakPolarHBondContact O-CD 3.45Å
536	Y	84.2	Confident	85	Confident	42 Å²	42	61.4 Å²	61.4	17%	0.165	31%	0.308	C	S	.	.			trans	-119.6	79.4	-176.7	-63.7	-84.6	0	0	0	112.5	D432 G434 L435 A532 L533 E538 T539 K540	D432-Y536 HydrophobicContact CB-CD1 4.32Å; D432-Y536 HydrophobicContact CB-CE1 4.07Å; D432-Y536 WeakPolarHBondContact OD2-CE1 3.24Å; G434-Y536 VanDerWaalsContact C-OH 3.29Å; G434-Y536 WeakPolarHBondContact CA-OH 3.3Å; L435-Y536 HydrophobicContact CB-CD1 4.22Å; L435-Y536 HydrophobicContact CB-CD2 3.85Å; L435-Y536 HydrophobicContact CB-CE1 4.32Å; L435-Y536 HydrophobicContact CB-CE2 3.96Å; L435-Y536 HydrophobicContact CB-CG 3.98Å; L435-Y536 HydrophobicContact CD1-CD2 3.62Å; L435-Y536 HydrophobicContact CD1-CE2 4.19Å; L435-Y536 HydrophobicContact CD1-CG 4.18Å; L435-Y536 HydrophobicContact CG-CD2 4.25Å; L435-Y536 HydrophobicContact CG-CG 4.48Å; A532-Y536 WeakPolarHBondContact O-CD2 3.28Å; A532-Y536 PolarHBondContact O-N 3.08Å; L533-Y536 CarbonylContact O-C 3.51Å; Y536-E538 VanDerWaalsContact C-N 3.33Å; Y536-E538 PolarHBondContact O-N 3.17Å; Y536-T539 PolarHBondContact O-N 3.02Å; Y536-K540 PolarHBondContact O-N 2.7Å
537	P	84	Confident	84.6	Confident	84 Å²	84	59.6 Å²	59.6	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-66.8	-29.8	-174.4	26.4	-34.8	0	0	0	113.8	E535 K540 T541	E535-P537 WeakPolarHBondContact O-CD 3.45Å; P537-K540 WeakPolarHBondContact O-CB 3.37Å; P537-K540 PolarHBondContact O-N 2.91Å; P537-T541 PolarHBondContact O-N 3.16Å
538	E	82.9	Confident	84.3	Confident	155 Å²	155	55.3 Å²	55.3	72%	0.724	28%	0.277	S	S	*	.	H	α-helix	trans	-65.2	-43.4	176.7	-65.5	-179.5	178.6	0	0	111.7	Y536 K540 T541 I542	Y536-E538 VanDerWaalsContact C-N 3.33Å; Y536-E538 PolarHBondContact O-N 3.17Å; E538-K540 VanDerWaalsContact C-N 3.28Å; E538-K540 PolarHBondContact O-N 2.95Å; E538-T541 PolarHBondContact O-N 2.82Å; E538-T541 PolarHBondContact O-OG1 3.37Å; E538-I542 WeakPolarHBondContact O-CG1 3.41Å; E538-I542 PolarHBondContact O-N 2.87Å
539	T	80.3	Confident	84	Confident	6 Å²	6	57.3 Å²	57.3	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-38.7	174.2	-57	0	0	0	0	111.1	C431 L435 L533 Y536 T541 I542 L543	C431-T539 WeakPolarHBondContact SG-CG2 3.38Å; C431-T539 PolarHBondContact SG-OG1 3.39Å; L435-T539 HydrophobicContact CD2-CG2 3.46Å; L435-T539 VanDerWaalsContact CD2-CG2 3.46Å; L435-T539 WeakPolarHBondContact CD2-OG1 3.49Å; L533-T539 HydrophobicContact CD2-CG2 3.92Å; Y536-T539 PolarHBondContact O-N 3.02Å; T539-T541 VanDerWaalsContact C-N 3.33Å; T539-T541 PolarHBondContact O-N 3.35Å; T539-I542 PolarHBondContact O-N 3.3Å; T539-L543 WeakPolarHBondContact O-CB 3.41Å; T539-L543 PolarHBondContact O-N 3.4Å
540	K	84.2	Confident	83.7	Confident	70 Å²	70	59.4 Å²	59.4	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-43.7	177	-178.4	-177.3	168	-179.5	0	111.6	W530 L533 Y536 P537 E538 L543 M544	W530-K540 HydrophobicContact CZ3-CD 4.31Å; L533-K540 HydrophobicContact CB-CB 4.17Å; L533-K540 HydrophobicContact CB-CG 4.4Å; L533-K540 HydrophobicContact CD1-CG 4.5Å; L533-K540 HydrophobicContact CD2-CB 4.17Å; Y536-K540 PolarHBondContact O-N 2.7Å; P537-K540 WeakPolarHBondContact O-CB 3.37Å; P537-K540 PolarHBondContact O-N 2.91Å; E538-K540 VanDerWaalsContact C-N 3.28Å; E538-K540 PolarHBondContact O-N 2.95Å; K540-L543 PolarHBondContact O-N 3.25Å; K540-M544 HydrophobicContact CG-CG 4.48Å; K540-M544 HydrophobicContact CG-SD 4.19Å; K540-M544 WeakPolarHBondContact O-CB 3.49Å; K540-M544 VanDerWaalsContact O-CG 3.23Å; K540-M544 WeakPolarHBondContact O-CG 2.99Å; K540-M544 PolarHBondContact O-N 3.32Å
541	T	83.5	Confident	83.4	Confident	76 Å²	76	56.9 Å²	56.9	47%	0.466	29%	0.289	S	S	.	.	H	α-helix	trans	-67.5	-43.2	179.1	54.5	0	0	0	0	112	P537 E538 T539 L543 M544 Q545	P537-T541 PolarHBondContact O-N 3.16Å; E538-T541 PolarHBondContact O-N 2.82Å; E538-T541 PolarHBondContact O-OG1 3.37Å; T539-T541 VanDerWaalsContact C-N 3.33Å; T539-T541 PolarHBondContact O-N 3.35Å; T541-L543 VanDerWaalsContact C-N 3.32Å; T541-L543 PolarHBondContact O-N 3.45Å; T541-M544 PolarHBondContact O-N 3.28Å; T541-Q545 WeakPolarHBondContact O-CB 3.48Å; T541-Q545 WeakPolarHBondContact O-CG 3.47Å; T541-Q545 PolarHBondContact O-N 3.49Å
542	I	83.3	Confident	83.3	Confident	66 Å²	66	57.9 Å²	57.9	34%	0.338	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-45.8	176.2	-65.7	166.3	0	0	0	110.7	E538 T539 Q545 R546	E538-I542 WeakPolarHBondContact O-CG1 3.41Å; E538-I542 PolarHBondContact O-N 2.87Å; T539-I542 PolarHBondContact O-N 3.3Å; I542-Q545 PolarHBondContact O-N 3.06Å; I542-R546 WeakPolarHBondContact O-CB 3.42Å; I542-R546 PolarHBondContact O-N 3.44Å
543	L	81.5	Confident	83.1	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-70.1	-35.9	-177.5	-161.2	148.7	0	0	0	111.1	I427 L498 T539 K540 T541 G547	I427-L543 HydrophobicContact CG2-CB 4.4Å; I427-L543 HydrophobicContact CG2-CD1 3.59Å; I427-L543 HydrophobicContact CG2-CG 3.97Å; L498-L543 HydrophobicContact CD1-CD2 3.38Å; L498-L543 HydrophobicContact CD2-CD2 3.11Å; L498-L543 HydrophobicContact CG-CD2 3.65Å; T539-L543 WeakPolarHBondContact O-CB 3.41Å; T539-L543 PolarHBondContact O-N 3.4Å; K540-L543 PolarHBondContact O-N 3.25Å; T541-L543 VanDerWaalsContact C-N 3.32Å; T541-L543 PolarHBondContact O-N 3.45Å; L543-G547 PolarHBondContact O-N 2.98Å
544	M	83.8	Confident	82.9	Confident	47 Å²	47	70.2 Å²	70.2	23%	0.232	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-44.2	171.2	-75.4	-174.2	76.4	0	0	113	L498 K540 T541 G547 Q548	L498-M544 HydrophobicContact CD2-CG 4.46Å; K540-M544 HydrophobicContact CG-CG 4.48Å; K540-M544 HydrophobicContact CG-SD 4.19Å; K540-M544 WeakPolarHBondContact O-CB 3.49Å; K540-M544 VanDerWaalsContact O-CG 3.23Å; K540-M544 WeakPolarHBondContact O-CG 2.99Å; K540-M544 PolarHBondContact O-N 3.32Å; T541-M544 PolarHBondContact O-N 3.28Å; M544-G547 PolarHBondContact O-N 3.22Å; M544-Q548 WeakPolarHBondContact O-CG 3.45Å; M544-Q548 PolarHBondContact O-N 3.21Å
545	Q	83.7	Confident	82.6	Confident	113 Å²	113	71.6 Å²	71.6	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-47.1	176.7	-77.8	176.2	-11.1	0	0	110.9	T541 I542 G547 Q548 D549	T541-Q545 WeakPolarHBondContact O-CB 3.48Å; T541-Q545 WeakPolarHBondContact O-CG 3.47Å; T541-Q545 PolarHBondContact O-N 3.49Å; I542-Q545 PolarHBondContact O-N 3.06Å; Q545-G547 VanDerWaalsContact C-N 3.32Å; Q545-G547 PolarHBondContact O-N 3.42Å; Q545-Q548 WeakPolarHBondContact O-CB 3.48Å; Q545-Q548 PolarHBondContact O-N 3.16Å; Q545-Q548 VanDerWaalsContact O-N 3.09Å; Q545-D549 PolarHBondContact O-N 2.87Å
546	R	80.8	Confident	82.3	Confident	88 Å²	88	69.7 Å²	69.7	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-40.9	176.4	-172.7	175.8	178.8	146.7	-0.6	112.3	S426 I542 Q548 D549 I550	S426-R546 VanDerWaalsContact OG-CZ 3.27Å; S426-R546 PolarHBondContact OG-NH1 3.3Å; S426-R546 PolarHBondContact OG-NH2 2.89Å; I542-R546 WeakPolarHBondContact O-CB 3.42Å; I542-R546 PolarHBondContact O-N 3.44Å; R546-Q548 VanDerWaalsContact C-N 3.33Å; R546-Q548 PolarHBondContact O-N 3.47Å; R546-D549 PolarHBondContact O-N 3.21Å; R546-I550 HydrophobicContact CG-CD1 4.14Å; R546-I550 VanDerWaalsContact O-CG1 3.27Å; R546-I550 WeakPolarHBondContact O-CG1 3.43Å; R546-I550 PolarHBondContact O-N 2.87Å
547	G	81.4	Confident	82.1	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-39.9	173.7	0	0	0	0	0	112.7	L543 M544 Q545 L551	L543-G547 PolarHBondContact O-N 2.98Å; M544-G547 PolarHBondContact O-N 3.22Å; Q545-G547 VanDerWaalsContact C-N 3.32Å; Q545-G547 PolarHBondContact O-N 3.42Å; G547-L551 WeakPolarHBondContact O-CB 3.39Å; G547-L551 VanDerWaalsContact O-CG 3.31Å; G547-L551 WeakPolarHBondContact O-CG 3.41Å; G547-L551 PolarHBondContact O-N 3.45Å
548	Q	83.1	Confident	82	Confident	30 Å²	30	67 Å²	67	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-42.5	174.6	-71.5	169.7	1.1	0	0	111.9	I500 M544 Q545 R546 I550 L551 R552 L562	I500-Q548 HydrophobicContact CG2-CG 3.89Å; M544-Q548 WeakPolarHBondContact O-CG 3.45Å; M544-Q548 PolarHBondContact O-N 3.21Å; Q545-Q548 WeakPolarHBondContact O-CB 3.48Å; Q545-Q548 PolarHBondContact O-N 3.16Å; Q545-Q548 VanDerWaalsContact O-N 3.09Å; R546-Q548 VanDerWaalsContact C-N 3.33Å; R546-Q548 PolarHBondContact O-N 3.47Å; Q548-I550 PolarHBondContact O-N 2.87Å; Q548-L551 PolarHBondContact O-N 3.21Å; Q548-R552 WeakPolarHBondContact O-CB 3.36Å; Q548-R552 PolarHBondContact O-N 3.32Å; Q548-L562 HydrophobicContact CG-CD2 4.45Å
549	D	83.9	Confident	81.9	Confident	90 Å²	90	64.4 Å²	64.4	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-40	179.3	-70.9	-25.7	0	0	0	112.2	Q545 R546 R552 K553	Q545-D549 PolarHBondContact O-N 2.87Å; R546-D549 PolarHBondContact O-N 3.21Å; D549-R552 PolarHBondContact O-N 3.47Å; D549-R552 IonicContact OD1-NH1 2.68Å; D549-R552 PolarHBondContact OD1-NH1 3.05Å; D549-K553 WeakPolarHBondContact O-CB 3.43Å; D549-K553 PolarHBondContact O-N 3.26Å
550	I	80.9	Confident	81.8	Confident	45 Å²	45	68 Å²	68	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-66.4	-45.9	174.9	-61	163.2	0	0	0	110.2	I495 R546 Q548 R552 K553 D554	I495-I550 HydrophobicContact CD1-CB 4.27Å; I495-I550 HydrophobicContact CD1-CG2 3.64Å; R546-I550 HydrophobicContact CG-CD1 4.14Å; R546-I550 VanDerWaalsContact O-CG1 3.27Å; R546-I550 WeakPolarHBondContact O-CG1 3.43Å; R546-I550 PolarHBondContact O-N 2.87Å; Q548-I550 PolarHBondContact O-N 2.87Å; I550-R552 VanDerWaalsContact C-N 3.29Å; I550-R552 PolarHBondContact O-N 3.38Å; I550-K553 PolarHBondContact O-N 3.32Å; I550-D554 PolarHBondContact O-N 3.02Å
551	L	82.3	Confident	81.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-35.8	176.7	-77	171.7	0	0	0	112.7	I495 I500 N503 G547 Q548 N555 L556 L557	I495-L551 HydrophobicContact CG2-CD1 4.1Å; I495-L551 HydrophobicContact CG2-CD2 3.7Å; I495-L551 HydrophobicContact CG2-CG 3.91Å; I500-L551 HydrophobicContact CB-CD1 4.16Å; I500-L551 HydrophobicContact CD1-CD1 3.72Å; I500-L551 HydrophobicContact CG2-CD1 4.04Å; N503-L551 HydrophobicContact CB-CD1 4Å; N503-L551 WeakPolarHBondContact OD1-CD2 3.42Å; G547-L551 WeakPolarHBondContact O-CB 3.39Å; G547-L551 VanDerWaalsContact O-CG 3.31Å; G547-L551 WeakPolarHBondContact O-CG 3.41Å; G547-L551 PolarHBondContact O-N 3.45Å; Q548-L551 PolarHBondContact O-N 3.21Å; L551-N555 PolarHBondContact O-N 3.29Å; L551-L556 HydrophobicContact CD2-CB 3.75Å; L551-L556 PolarHBondContact O-N 3.22Å; L551-L557 HydrophobicContact CB-CB 3.98Å; L551-L557 HydrophobicContact CB-CD1 4.15Å; L551-L557 HydrophobicContact CD1-CD1 4.08Å; L551-L557 PolarHBondContact O-N 3.11Å
552	R	84.3	Confident	81.4	Confident	113 Å²	113	65.5 Å²	65.5	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-43.4	175.5	-170.4	-176	-72.9	130.9	-3.8	110.8	Q548 D549 I550 D554 N555 L557 E559	Q548-R552 WeakPolarHBondContact O-CB 3.36Å; Q548-R552 PolarHBondContact O-N 3.32Å; D549-R552 PolarHBondContact O-N 3.47Å; D549-R552 IonicContact OD1-NH1 2.68Å; D549-R552 PolarHBondContact OD1-NH1 3.05Å; I550-R552 VanDerWaalsContact C-N 3.29Å; I550-R552 PolarHBondContact O-N 3.38Å; R552-D554 VanDerWaalsContact C-N 3.28Å; R552-D554 PolarHBondContact O-N 3.26Å; R552-N555 PolarHBondContact O-N 3.49Å; R552-N555 VanDerWaalsContact O-N 3.15Å; R552-L557 HydrophobicContact CB-CD2 4.19Å; R552-E559 IonicContact CZ-OE1 3.39Å; R552-E559 IonicContact NE-OE1 2.7Å; R552-E559 PolarHBondContact NE-OE1 2.88Å; R552-E559 IonicContact NH2-OE1 3.94Å; R552-E559 PolarHBondContact NH2-OE1 2.95Å
553	K	83.2	Confident	81.3	Confident	176 Å²	176	68.4 Å²	68.4	77%	0.765	32%	0.323	S	S	*	.	H	α-helix	trans	-61.2	-36.5	177.1	-172.1	178.2	179	-178.4	0	112.6	D549 I550 N555	D549-K553 WeakPolarHBondContact O-CB 3.43Å; D549-K553 PolarHBondContact O-N 3.26Å; I550-K553 PolarHBondContact O-N 3.32Å; K553-N555 VanDerWaalsContact C-N 3.32Å
554	D	79.7	Confident	81.3	Confident	85 Å²	85	74.2 Å²	74.2	46%	0.455	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.7	179.5	-67.3	-10.4	0	0	0	113.3	I550 R552 L556	I550-D554 PolarHBondContact O-N 3.02Å; R552-D554 VanDerWaalsContact C-N 3.28Å; R552-D554 PolarHBondContact O-N 3.26Å; D554-L556 HydrophobicContact CB-CD1 3.95Å; D554-L556 HydrophobicContact CB-CG 4.06Å; D554-L556 PolarHBondContact O-N 3.38Å
555	N	79.3	Confident	81	Confident	127 Å²	127	73 Å²	73	68%	0.679	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	23.5	-174.6	-63.9	-50.4	0	0	0	114.7	K504 L551 R552 K553	K504-N555 PolarHBondContact NZ-O 3.45Å; L551-N555 PolarHBondContact O-N 3.29Å; R552-N555 PolarHBondContact O-N 3.49Å; R552-N555 VanDerWaalsContact O-N 3.15Å; K553-N555 VanDerWaalsContact C-N 3.32Å
556	L	78.8	Confident	80.8	Confident	45 Å²	45	71.9 Å²	71.9	24%	0.236	34%	0.34	C	S	.	.			trans	-95	0.1	-179	-68.3	175.8	0	0	0	113.5	K504 T505 L551 D554	K504-L556 WeakPolarHBondContact CB-O 3.36Å; K504-L556 WeakPolarHBondContact CG-O 3.47Å; K504-L556 PolarHBondContact N-O 2.83Å; T505-L556 HydrophobicContact CG2-CD1 4.11Å; T505-L556 HydrophobicContact CG2-CD2 4.06Å; L551-L556 HydrophobicContact CD2-CB 3.75Å; L551-L556 PolarHBondContact O-N 3.22Å; D554-L556 HydrophobicContact CB-CD1 3.95Å; D554-L556 HydrophobicContact CB-CG 4.06Å; D554-L556 PolarHBondContact O-N 3.38Å
557	L	79.2	Confident	80.6	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.063	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-95.5	130	176	-162.9	62.9	0	0	0	110.6	I500 L551 R552 L562	I500-L557 HydrophobicContact CG2-CD1 4.12Å; L551-L557 HydrophobicContact CB-CB 3.98Å; L551-L557 HydrophobicContact CB-CD1 4.15Å; L551-L557 HydrophobicContact CD1-CD1 4.08Å; L551-L557 PolarHBondContact O-N 3.11Å; R552-L557 HydrophobicContact CB-CD2 4.19Å; L557-L562 HydrophobicContact CD1-CD2 4.29Å; L557-L562 HydrophobicContact CD2-CD2 3.81Å; L557-L562 HydrophobicContact CG-CD2 4.27Å
558	D	81.3	Confident	80.4	Confident	57 Å²	57	78.7 Å²	78.7	31%	0.305	38%	0.375	S	S	.	.			trans	-94	98.4	169.4	-158.7	-16.2	0	0	0	108.9	G502 K504 D560 I561 L562	G502-D558 WeakPolarHBondContact O-CB 3.42Å; G502-D558 PolarHBondContact O-N 3.46Å; K504-D558 HydrophobicContact CG-CB 4.45Å; D558-D560 PolarHBondContact O-N 3.49Å; D558-I561 HydrophobicContact CB-CB 4.27Å; D558-I561 HydrophobicContact CB-CD1 3.96Å; D558-I561 HydrophobicContact CB-CG1 4.12Å; D558-I561 PolarHBondContact O-N 3.26Å; D558-I561 VanDerWaalsContact OD2-CD1 3.28Å; D558-I561 WeakPolarHBondContact OD2-CD1 3.33Å; D558-L562 PolarHBondContact O-N 3.2Å
559	E	81	Confident	80.1	Confident	102 Å²	102	83 Å²	83	48%	0.477	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-31.8	-173.1	-70	-115.2	153.6	0	0	112.1	R552 L562 R563	R552-E559 IonicContact CZ-OE1 3.39Å; R552-E559 IonicContact NE-OE1 2.7Å; R552-E559 PolarHBondContact NE-OE1 2.88Å; R552-E559 IonicContact NH2-OE1 3.94Å; R552-E559 PolarHBondContact NH2-OE1 2.95Å; E559-L562 PolarHBondContact O-N 2.75Å; E559-R563 VanDerWaalsContact O-CB 3.32Å; E559-R563 WeakPolarHBondContact O-CB 3.49Å; E559-R563 PolarHBondContact O-N 3.39Å
560	D	78.5	Confident	79.7	Confident	82 Å²	82	84 Å²	84	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-69.5	-38.2	178.4	-77.4	-41.1	0	0	0	112.3	D558 R563 K564	D558-D560 PolarHBondContact O-N 3.49Å; D560-R563 IonicContact OD1-CZ 3.17Å; D560-R563 IonicContact OD1-NH1 3.14Å; D560-R563 IonicContact OD1-NH2 3.69Å; D560-R563 PolarHBondContact OD1-NH2 2.87Å; D560-K564 WeakPolarHBondContact O-CB 3.42Å; D560-K564 VanDerWaalsContact O-CG 3.29Å; D560-K564 WeakPolarHBondContact O-CG 3.41Å; D560-K564 PolarHBondContact O-N 3.07Å
561	I	80.1	Confident	79.5	Confident	82 Å²	82	85.2 Å²	85.2	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-72.2	-40.4	176.4	-58.9	178.7	0	0	0	109.8	D558 K564 A565	D558-I561 HydrophobicContact CB-CB 4.27Å; D558-I561 HydrophobicContact CB-CD1 3.96Å; D558-I561 HydrophobicContact CB-CG1 4.12Å; D558-I561 PolarHBondContact O-N 3.26Å; D558-I561 VanDerWaalsContact OD2-CD1 3.28Å; D558-I561 WeakPolarHBondContact OD2-CD1 3.33Å; I561-K564 PolarHBondContact O-N 3.15Å; I561-A565 WeakPolarHBondContact O-CB 3.47Å; I561-A565 PolarHBondContact O-N 2.9Å
562	L	79.6	Confident	79.3	Confident	11 Å²	11	90.1 Å²	90.1	6%	0.058	44%	0.435	C	S	.	.	H	α-helix	trans	-61.4	-45.7	175.4	-178.4	63.7	0	0	0	111	A501 Q548 L557 D558 E559 A565 Q566	A501-L562 WeakPolarHBondContact O-CD1 3.45Å; Q548-L562 HydrophobicContact CG-CD2 4.45Å; L557-L562 HydrophobicContact CD1-CD2 4.29Å; L557-L562 HydrophobicContact CD2-CD2 3.81Å; L557-L562 HydrophobicContact CG-CD2 4.27Å; D558-L562 PolarHBondContact O-N 3.2Å; E559-L562 PolarHBondContact O-N 2.75Å; L562-A565 PolarHBondContact O-N 3.42Å; L562-Q566 HydrophobicContact CD1-CG 4.42Å; L562-Q566 HydrophobicContact CG-CG 4.49Å; L562-Q566 WeakPolarHBondContact O-CB 3.35Å; L562-Q566 WeakPolarHBondContact O-CG 3.46Å; L562-Q566 PolarHBondContact O-N 3.44Å
563	R	80.5	Confident	79.1	Confident	127 Å²	127	89.8 Å²	89.8	48%	0.479	44%	0.438	S	S	.	.	H	α-helix	trans	-61.3	-45.9	177	-170.9	178.4	65.8	-131	-15.9	111.3	E559 D560 A565 Q566 E567	E559-R563 VanDerWaalsContact O-CB 3.32Å; E559-R563 WeakPolarHBondContact O-CB 3.49Å; E559-R563 PolarHBondContact O-N 3.39Å; D560-R563 IonicContact OD1-CZ 3.17Å; D560-R563 IonicContact OD1-NH1 3.14Å; D560-R563 IonicContact OD1-NH2 3.69Å; D560-R563 PolarHBondContact OD1-NH2 2.87Å; R563-A565 VanDerWaalsContact C-N 3.29Å; R563-A565 PolarHBondContact O-N 3.14Å; R563-Q566 PolarHBondContact O-N 3.47Å; R563-E567 HydrophobicContact CG-CG 4.39Å; R563-E567 WeakPolarHBondContact CG-OE1 3.37Å; R563-E567 IonicContact NE-OE1 4Å; R563-E567 WeakPolarHBondContact O-CB 3.27Å; R563-E567 VanDerWaalsContact O-CG 3.27Å; R563-E567 WeakPolarHBondContact O-CG 3.47Å; R563-E567 PolarHBondContact O-N 3.12Å
564	K	81.2	Confident	78.9	Confident	125 Å²	125	85.8 Å²	85.8	54%	0.543	42%	0.422	S	S	.	.	H	α-helix	trans	-59.7	-39.3	174.9	-76.2	173.5	-177.6	174.4	0	112.6	D560 I561 Q568	D560-K564 WeakPolarHBondContact O-CB 3.42Å; D560-K564 VanDerWaalsContact O-CG 3.29Å; D560-K564 WeakPolarHBondContact O-CG 3.41Å; D560-K564 PolarHBondContact O-N 3.07Å; I561-K564 PolarHBondContact O-N 3.15Å; K564-Q568 WeakPolarHBondContact O-CB 3.28Å; K564-Q568 VanDerWaalsContact O-CG 3.25Å; K564-Q568 WeakPolarHBondContact O-CG 3.4Å; K564-Q568 PolarHBondContact O-N 3.4Å
565	A	77.9	Confident	78.9	Confident	23 Å²	23	84.7 Å²	84.7	19%	0.19	42%	0.42	C	S	.	.	H	α-helix	trans	-70.6	-38.2	177.7	0	0	0	0	0	112	A501 I561 L562 R563 Q568 Q569	A501-A565 HydrophobicContact CB-CB 3.23Å; I561-A565 WeakPolarHBondContact O-CB 3.47Å; I561-A565 PolarHBondContact O-N 2.9Å; L562-A565 PolarHBondContact O-N 3.42Å; R563-A565 VanDerWaalsContact C-N 3.29Å; R563-A565 PolarHBondContact O-N 3.14Å; A565-Q568 PolarHBondContact O-N 3.26Å; A565-Q569 WeakPolarHBondContact O-CB 3.29Å; A565-Q569 PolarHBondContact O-N 2.95Å
566	Q	79.1	Confident	79	Confident	88 Å²	88	82.5 Å²	82.5	41%	0.411	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-46.7	172.2	-74.3	174	-30.6	0	0	111	L562 R563 Q568 Q569 E570	L562-Q566 HydrophobicContact CD1-CG 4.42Å; L562-Q566 HydrophobicContact CG-CG 4.49Å; L562-Q566 WeakPolarHBondContact O-CB 3.35Å; L562-Q566 WeakPolarHBondContact O-CG 3.46Å; L562-Q566 PolarHBondContact O-N 3.44Å; R563-Q566 PolarHBondContact O-N 3.47Å; Q566-Q568 VanDerWaalsContact C-N 3.33Å; Q566-Q568 PolarHBondContact O-N 2.88Å; Q566-Q569 PolarHBondContact O-N 3.4Å; Q566-Q569 VanDerWaalsContact O-N 3.11Å; Q566-E570 WeakPolarHBondContact O-CB 3.28Å; Q566-E570 WeakPolarHBondContact O-CG 3.34Å; Q566-E570 PolarHBondContact O-N 2.84Å
567	E	78.2	Confident	79.2	Confident	101 Å²	101	86.2 Å²	86.2	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-41.4	174.7	-74	169.3	-172.9	0	0	111.9	R563 S571	R563-E567 HydrophobicContact CG-CG 4.39Å; R563-E567 WeakPolarHBondContact CG-OE1 3.37Å; R563-E567 IonicContact NE-OE1 4Å; R563-E567 WeakPolarHBondContact O-CB 3.27Å; R563-E567 VanDerWaalsContact O-CG 3.27Å; R563-E567 WeakPolarHBondContact O-CG 3.47Å; R563-E567 PolarHBondContact O-N 3.12Å; E567-S571 WeakPolarHBondContact O-CB 3.44Å; E567-S571 PolarHBondContact O-N 3.17Å
568	Q	77.3	Confident	79.4	Confident	131 Å²	131	93.7 Å²	93.7	61%	0.612	46%	0.455	S	S	*	.	H	α-helix	trans	-64.3	-41.8	174	-80	178.4	-6.4	0	0	111.6	K564 A565 Q566 S571 I572	K564-Q568 WeakPolarHBondContact O-CB 3.28Å; K564-Q568 VanDerWaalsContact O-CG 3.25Å; K564-Q568 WeakPolarHBondContact O-CG 3.4Å; K564-Q568 PolarHBondContact O-N 3.4Å; A565-Q568 PolarHBondContact O-N 3.26Å; Q566-Q568 VanDerWaalsContact C-N 3.33Å; Q566-Q568 PolarHBondContact O-N 2.88Å; Q568-S571 WeakPolarHBondContact O-CB 3.23Å; Q568-S571 PolarHBondContact O-N 3.09Å; Q568-I572 VanDerWaalsContact O-CG1 3.23Å; Q568-I572 WeakPolarHBondContact O-CG1 3.28Å; Q568-I572 PolarHBondContact O-N 3.38Å
569	Q	74.9	Confident	79.5	Confident	120 Å²	120	95.6 Å²	95.6	56%	0.561	46%	0.464	S	S	*	.	H	α-helix	trans	-68.3	-42.7	178.8	-171.5	157.8	-25.1	0	0	111.6	A565 Q566 S571 I572 E573	A565-Q569 WeakPolarHBondContact O-CB 3.29Å; A565-Q569 PolarHBondContact O-N 2.95Å; Q566-Q569 PolarHBondContact O-N 3.4Å; Q566-Q569 VanDerWaalsContact O-N 3.11Å; Q569-S571 VanDerWaalsContact C-N 3.33Å; Q569-S571 PolarHBondContact O-N 2.94Å; Q569-I572 PolarHBondContact O-N 2.69Å; Q569-E573 WeakPolarHBondContact O-CG 3.45Å; Q569-E573 PolarHBondContact O-N 2.94Å
570	E	75.4	Confident	79.6	Confident	113 Å²	113	94.8 Å²	94.8	53%	0.528	46%	0.463	S	S	.	.	H	α-helix	trans	-61.9	-39.7	171.6	-73.1	-179	-178.8	0	0	111.6	Q566 E573 Q574	Q566-E570 WeakPolarHBondContact O-CB 3.28Å; Q566-E570 WeakPolarHBondContact O-CG 3.34Å; Q566-E570 PolarHBondContact O-N 2.84Å; E570-E573 PolarHBondContact O-N 3.3Å; E570-Q574 WeakPolarHBondContact O-CB 3.39Å; E570-Q574 VanDerWaalsContact O-CG 3.23Å; E570-Q574 WeakPolarHBondContact O-CG 3.43Å; E570-Q574 PolarHBondContact O-N 2.73Å
571	S	77.8	Confident	80	Confident	70 Å²	70	95.4 Å²	95.4	49%	0.49	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-40.4	175.4	-172.5	0	0	0	0	111.9	E567 Q568 Q569 C575	E567-S571 WeakPolarHBondContact O-CB 3.44Å; E567-S571 PolarHBondContact O-N 3.17Å; Q568-S571 WeakPolarHBondContact O-CB 3.23Å; Q568-S571 PolarHBondContact O-N 3.09Å; Q569-S571 VanDerWaalsContact C-N 3.33Å; Q569-S571 PolarHBondContact O-N 2.94Å; S571-C575 WeakPolarHBondContact O-CB 3.27Å; S571-C575 PolarHBondContact O-N 3.31Å
572	I	78.8	Confident	80.2	Confident	103 Å²	103	94.7 Å²	94.7	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-65.9	-44.6	174.4	-69.2	163.7	0	0	0	110.1	Q568 Q569 C575 V576	Q568-I572 VanDerWaalsContact O-CG1 3.23Å; Q568-I572 WeakPolarHBondContact O-CG1 3.28Å; Q568-I572 PolarHBondContact O-N 3.38Å; Q569-I572 PolarHBondContact O-N 2.69Å; I572-C575 WeakPolarHBondContact O-CB 3.39Å; I572-C575 PolarHBondContact O-N 3.34Å; I572-V576 HydrophobicContact CG2-CG2 4.4Å; I572-V576 VanDerWaalsContact O-CG2 3.29Å; I572-V576 WeakPolarHBondContact O-CG2 3.21Å; I572-V576 PolarHBondContact O-N 3.29Å
573	E	78.8	Confident	80.4	Confident	105 Å²	105	97.6 Å²	97.6	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-42.5	177	-74.4	178.8	-171.6	0	0	111.7	Q569 E570 C575 V576 Q577	Q569-E573 WeakPolarHBondContact O-CG 3.45Å; Q569-E573 PolarHBondContact O-N 2.94Å; E570-E573 PolarHBondContact O-N 3.3Å; E573-C575 VanDerWaalsContact C-N 3.34Å; E573-C575 PolarHBondContact O-N 3.43Å; E573-V576 PolarHBondContact O-N 2.92Å; E573-Q577 WeakPolarHBondContact O-CB 3.34Å; E573-Q577 WeakPolarHBondContact O-CG 3.35Å; E573-Q577 PolarHBondContact O-N 3.45Å
574	Q	79.6	Confident	80.6	Confident	93 Å²	93	95 Å²	95	44%	0.435	48%	0.476	S	S	.	.	H	α-helix	trans	-63.6	-38.6	172.4	-73.2	177.2	16.5	0	0	112	E570 Q577 R578	E570-Q574 WeakPolarHBondContact O-CB 3.39Å; E570-Q574 VanDerWaalsContact O-CG 3.23Å; E570-Q574 WeakPolarHBondContact O-CG 3.43Å; E570-Q574 PolarHBondContact O-N 2.73Å; Q574-Q577 PolarHBondContact O-N 3.33Å; Q574-R578 WeakPolarHBondContact O-CB 3.3Å; Q574-R578 VanDerWaalsContact O-CG 3.32Å; Q574-R578 WeakPolarHBondContact O-CG 3.48Å; Q574-R578 PolarHBondContact O-N 3.13Å
575	C	79.9	Confident	80.9	Confident	61 Å²	61	94.7 Å²	94.7	41%	0.412	48%	0.476	S	S	.	.	H	α-helix	trans	-63.6	-45.4	175	-175.4	0	0	0	0	110.7	S571 I572 E573 Q577 R578 I579	S571-C575 WeakPolarHBondContact O-CB 3.27Å; S571-C575 PolarHBondContact O-N 3.31Å; I572-C575 WeakPolarHBondContact O-CB 3.39Å; I572-C575 PolarHBondContact O-N 3.34Å; E573-C575 VanDerWaalsContact C-N 3.34Å; E573-C575 PolarHBondContact O-N 3.43Å; C575-Q577 PolarHBondContact O-N 3.31Å; C575-R578 PolarHBondContact O-N 3.29Å; C575-I579 WeakPolarHBondContact O-CB 3.32Å; C575-I579 VanDerWaalsContact O-CG1 3.25Å; C575-I579 WeakPolarHBondContact O-CG1 3.47Å; C575-I579 PolarHBondContact O-N 3.2Å
576	V	81.6	Confident	81.3	Confident	82 Å²	82	99.1 Å²	99.1	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-44.2	175.5	171.8	0	0	0	0	110.6	I572 E573 R578 I579 D580	I572-V576 HydrophobicContact CG2-CG2 4.4Å; I572-V576 VanDerWaalsContact O-CG2 3.29Å; I572-V576 WeakPolarHBondContact O-CG2 3.21Å; I572-V576 PolarHBondContact O-N 3.29Å; E573-V576 PolarHBondContact O-N 2.92Å; V576-R578 PolarHBondContact O-N 3.24Å; V576-I579 PolarHBondContact O-N 3.38Å; V576-D580 WeakPolarHBondContact O-CB 3.48Å; V576-D580 PolarHBondContact O-N 2.8Å
577	Q	82.6	Confident	81.7	Confident	123 Å²	123	97.1 Å²	97.1	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-63.8	-38.6	175.4	-73.7	178.6	3.3	0	0	112.6	E573 Q574 C575 D580 N581	E573-Q577 WeakPolarHBondContact O-CB 3.34Å; E573-Q577 WeakPolarHBondContact O-CG 3.35Å; E573-Q577 PolarHBondContact O-N 3.45Å; Q574-Q577 PolarHBondContact O-N 3.33Å; C575-Q577 PolarHBondContact O-N 3.31Å; Q577-D580 PolarHBondContact O-N 3.41Å; Q577-N581 WeakPolarHBondContact O-CB 3.42Å; Q577-N581 PolarHBondContact O-N 3.48Å; Q577-N581 PolarHBondContact O-ND2 2.94Å
578	R	82.5	Confident	82.1	Confident	168 Å²	168	97 Å²	97	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-65.3	-42.9	173.2	-75.2	179.5	-161.9	166.5	8.1	111.5	Q574 C575 V576 D580 N581 T582	Q574-R578 WeakPolarHBondContact O-CB 3.3Å; Q574-R578 VanDerWaalsContact O-CG 3.32Å; Q574-R578 WeakPolarHBondContact O-CG 3.48Å; Q574-R578 PolarHBondContact O-N 3.13Å; C575-R578 PolarHBondContact O-N 3.29Å; V576-R578 PolarHBondContact O-N 3.24Å; R578-D580 VanDerWaalsContact C-N 3.32Å; R578-N581 PolarHBondContact O-N 3.48Å; R578-T582 WeakPolarHBondContact O-CB 3.43Å; R578-T582 VanDerWaalsContact O-CG2 3.3Å; R578-T582 WeakPolarHBondContact O-CG2 3.31Å; R578-T582 PolarHBondContact O-N 2.94Å; R578-T582 PolarHBondContact O-OG1 2.86Å
579	I	84.7	Confident	82.5	Confident	97 Å²	97	99 Å²	99	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.2	-70.2	166.4	0	0	0	109.7	C575 V576 N581 T582 M583	C575-I579 WeakPolarHBondContact O-CB 3.32Å; C575-I579 VanDerWaalsContact O-CG1 3.25Å; C575-I579 WeakPolarHBondContact O-CG1 3.47Å; C575-I579 PolarHBondContact O-N 3.2Å; V576-I579 PolarHBondContact O-N 3.38Å; I579-N581 PolarHBondContact O-N 2.77Å; I579-T582 WeakPolarHBondContact CA-OG1 3.43Å; I579-T582 PolarHBondContact O-N 3.46Å; I579-T582 PolarHBondContact O-OG1 3.04Å; I579-M583 WeakPolarHBondContact O-CB 3.25Å; I579-M583 PolarHBondContact O-N 3.04Å
580	D	83.6	Confident	82.9	Confident	85 Å²	85	98.7 Å²	98.7	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-42.3	178.8	-160	33.4	0	0	0	111.4	V576 Q577 R578 M583 N584	V576-D580 WeakPolarHBondContact O-CB 3.48Å; V576-D580 PolarHBondContact O-N 2.8Å; Q577-D580 PolarHBondContact O-N 3.41Å; R578-D580 VanDerWaalsContact C-N 3.32Å; D580-M583 PolarHBondContact O-N 3.4Å; D580-N584 WeakPolarHBondContact O-CB 3.46Å; D580-N584 PolarHBondContact O-N 3.13Å; D580-N584 PolarHBondContact O-ND2 3.07Å
581	N	85.1	Confident	83.2	Confident	95 Å²	95	96.3 Å²	96.3	51%	0.508	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-44.6	174.9	-75.3	-25.6	0	0	0	112.9	Q577 R578 I579 N584 Q585	Q577-N581 WeakPolarHBondContact O-CB 3.42Å; Q577-N581 PolarHBondContact O-N 3.48Å; Q577-N581 PolarHBondContact O-ND2 2.94Å; R578-N581 PolarHBondContact O-N 3.48Å; I579-N581 PolarHBondContact O-N 2.77Å; N581-N584 PolarHBondContact O-N 3.34Å; N581-Q585 WeakPolarHBondContact O-CG 3.36Å; N581-Q585 PolarHBondContact O-N 3.36Å
582	T	86.1	Confident	83.6	Confident	68 Å²	68	101.2 Å²	101.2	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-37.8	176.5	53.9	0	0	0	0	111.6	R578 I579 Q585 L586	R578-T582 WeakPolarHBondContact O-CB 3.43Å; R578-T582 VanDerWaalsContact O-CG2 3.3Å; R578-T582 WeakPolarHBondContact O-CG2 3.31Å; R578-T582 PolarHBondContact O-N 2.94Å; R578-T582 PolarHBondContact O-OG1 2.86Å; I579-T582 WeakPolarHBondContact CA-OG1 3.43Å; I579-T582 PolarHBondContact O-N 3.46Å; I579-T582 PolarHBondContact O-OG1 3.04Å; T582-Q585 PolarHBondContact O-N 2.92Å; T582-L586 WeakPolarHBondContact O-CB 3.21Å; T582-L586 WeakPolarHBondContact O-CG 3.39Å; T582-L586 PolarHBondContact O-N 2.99Å
583	M	83.1	Confident	83.9	Confident	71 Å²	71	101.7 Å²	101.7	35%	0.35	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-46.3	173	-175.8	175.3	165.7	0	0	110.5	I579 D580 Q585 L586 T587	I579-M583 WeakPolarHBondContact O-CB 3.25Å; I579-M583 PolarHBondContact O-N 3.04Å; D580-M583 PolarHBondContact O-N 3.4Å; M583-Q585 VanDerWaalsContact C-N 3.33Å; M583-Q585 PolarHBondContact O-N 2.78Å; M583-L586 PolarHBondContact O-N 2.99Å; M583-T587 HydrophobicContact CG-CG2 4.48Å; M583-T587 VanDerWaalsContact O-CG2 3.26Å; M583-T587 WeakPolarHBondContact O-CG2 3.47Å; M583-T587 PolarHBondContact O-N 3.38Å; M583-T587 PolarHBondContact O-OG1 3.07Å
584	N	85.2	Confident	84.2	Confident	72 Å²	72	101.5 Å²	101.5	39%	0.385	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-40.3	174.8	-73.9	-36	0	0	0	112.2	D580 N581 T587 T588	D580-N584 WeakPolarHBondContact O-CB 3.46Å; D580-N584 PolarHBondContact O-N 3.13Å; D580-N584 PolarHBondContact O-ND2 3.07Å; N581-N584 PolarHBondContact O-N 3.34Å; N584-T587 PolarHBondContact O-N 2.58Å; N584-T587 PolarHBondContact O-OG1 3.11Å; N584-T588 PolarHBondContact O-N 3.07Å; N584-T588 PolarHBondContact O-OG1 3.3Å
585	Q	87.2	Confident	84.3	Confident	119 Å²	119	99.2 Å²	99.2	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-64.7	-44.1	173.3	-72.6	176.4	4.2	0	0	112.5	N581 T582 M583 T588 R589	N581-Q585 WeakPolarHBondContact O-CG 3.36Å; N581-Q585 PolarHBondContact O-N 3.36Å; T582-Q585 PolarHBondContact O-N 2.92Å; M583-Q585 VanDerWaalsContact C-N 3.33Å; M583-Q585 PolarHBondContact O-N 2.78Å; Q585-T588 PolarHBondContact O-N 3.44Å; Q585-R589 WeakPolarHBondContact O-CG 3.48Å; Q585-R589 PolarHBondContact O-N 3.21Å
586	L	86	Confident	84.7	Confident	116 Å²	116	100.9 Å²	100.9	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-63.1	-43	177	-76.5	167.6	0	0	0	111.3	T582 M583 T588 R589 L590	T582-L586 WeakPolarHBondContact O-CB 3.21Å; T582-L586 WeakPolarHBondContact O-CG 3.39Å; T582-L586 PolarHBondContact O-N 2.99Å; M583-L586 PolarHBondContact O-N 2.99Å; L586-T588 VanDerWaalsContact C-N 3.3Å; L586-T588 PolarHBondContact O-N 3.26Å; L586-R589 PolarHBondContact O-N 3.47Å; L586-L590 WeakPolarHBondContact O-CB 3.36Å; L586-L590 PolarHBondContact O-N 2.73Å
587	T	86.9	Confident	84.8	Confident	47 Å²	47	103.7 Å²	103.7	29%	0.288	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-38.7	176	65.5	0	0	0	0	111.9	M583 N584 L590 A591	M583-T587 HydrophobicContact CG-CG2 4.48Å; M583-T587 VanDerWaalsContact O-CG2 3.26Å; M583-T587 WeakPolarHBondContact O-CG2 3.47Å; M583-T587 PolarHBondContact O-N 3.38Å; M583-T587 PolarHBondContact O-OG1 3.07Å; N584-T587 PolarHBondContact O-N 2.58Å; N584-T587 PolarHBondContact O-OG1 3.11Å; T587-L590 PolarHBondContact O-N 3.45Å; T587-A591 WeakPolarHBondContact O-CB 3.34Å; T587-A591 PolarHBondContact O-N 3.34Å
588	T	86.8	Confident	84.7	Confident	97 Å²	97	99.4 Å²	99.4	60%	0.595	51%	0.51	S	S	*	.	H	α-helix	trans	-65.6	-43.5	175.2	-53.5	0	0	0	0	111.7	N584 Q585 L586 A591 R592	N584-T588 PolarHBondContact O-N 3.07Å; N584-T588 PolarHBondContact O-OG1 3.3Å; Q585-T588 PolarHBondContact O-N 3.44Å; L586-T588 VanDerWaalsContact C-N 3.3Å; L586-T588 PolarHBondContact O-N 3.26Å; T588-A591 PolarHBondContact O-N 2.88Å; T588-R592 PolarHBondContact O-N 2.91Å
589	R	86.3	Confident	84.7	Confident	175 Å²	175	94.4 Å²	94.4	66%	0.66	51%	0.505	S	S	*	.	H	α-helix	trans	-65.4	-40.8	176.1	-74.9	-173.1	-178.9	-175.5	2	112.3	Q585 L586 R592 L593	Q585-R589 WeakPolarHBondContact O-CG 3.48Å; Q585-R589 PolarHBondContact O-N 3.21Å; L586-R589 PolarHBondContact O-N 3.47Å; R589-R592 PolarHBondContact O-N 2.79Å; R589-L593 PolarHBondContact O-N 3.32Å
590	L	83.4	Confident	84.6	Confident	112 Å²	112	92.6 Å²	92.6	59%	0.586	50%	0.5	S	S	*	.	H	α-helix	trans	-62	-45.3	175.8	-166.4	95.7	0	0	0	110.6	L586 T587 R592 L593 I594	L586-L590 WeakPolarHBondContact O-CB 3.36Å; L586-L590 PolarHBondContact O-N 2.73Å; T587-L590 PolarHBondContact O-N 3.45Å; L590-R592 VanDerWaalsContact C-N 3.29Å; L590-R592 PolarHBondContact O-N 2.97Å; L590-L593 PolarHBondContact O-N 3.06Å; L590-I594 HydrophobicContact CD2-CD1 3.98Å; L590-I594 HydrophobicContact CG-CD1 4.03Å; L590-I594 WeakPolarHBondContact O-CB 3.5Å; L590-I594 VanDerWaalsContact O-CG1 3.27Å; L590-I594 WeakPolarHBondContact O-CG1 3.23Å; L590-I594 PolarHBondContact O-N 3.31Å
591	A	81.4	Confident	84.6	Confident	63 Å²	63	93.4 Å²	93.4	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-59.7	-40.1	175.8	0	0	0	0	0	112	T587 T588 G595	T587-A591 WeakPolarHBondContact O-CB 3.34Å; T587-A591 PolarHBondContact O-N 3.34Å; T588-A591 PolarHBondContact O-N 2.88Å; A591-G595 PolarHBondContact O-N 3.31Å
592	R	86.1	Confident	84.3	Confident	174 Å²	174	91 Å²	91	66%	0.657	50%	0.495	S	S	*	.	H	α-helix	trans	-66.2	-45.5	174.9	-175.2	176.7	173.7	158.6	1.1	112.6	T588 R589 L590 I594 G595 E596	T588-R592 PolarHBondContact O-N 2.91Å; R589-R592 PolarHBondContact O-N 2.79Å; L590-R592 VanDerWaalsContact C-N 3.29Å; L590-R592 PolarHBondContact O-N 2.97Å; R592-I594 PolarHBondContact O-N 3.33Å; R592-G595 CarbonylContact O-C 3.54Å; R592-G595 WeakPolarHBondContact O-CA 3.49Å; R592-G595 PolarHBondContact O-N 3.35Å; R592-G595 VanDerWaalsContact O-N 3.14Å; R592-E596 HydrophobicContact CG-CG 4.48Å; R592-E596 IonicContact CZ-OE1 2.69Å; R592-E596 IonicContact NE-OE1 3.29Å; R592-E596 PolarHBondContact NE-OE1 2.94Å; R592-E596 IonicContact NH2-OE1 3.45Å; R592-E596 WeakPolarHBondContact O-CG 3.5Å; R592-E596 PolarHBondContact O-N 3.27Å
593	L	85.7	Confident	84.3	Confident	112 Å²	112	94.8 Å²	94.8	59%	0.586	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-41.7	177.1	-94.6	159.8	0	0	0	112.2	R589 L590 G595 E596 F597	R589-L593 PolarHBondContact O-N 3.32Å; L590-L593 PolarHBondContact O-N 3.06Å; L593-G595 VanDerWaalsContact C-N 3.3Å; L593-G595 PolarHBondContact O-N 2.97Å; L593-E596 PolarHBondContact O-N 2.82Å; L593-F597 VanDerWaalsContact O-CB 3.27Å; L593-F597 WeakPolarHBondContact O-CB 3.48Å; L593-F597 PolarHBondContact O-N 2.72Å
594	I	84.6	Confident	84.2	Confident	101 Å²	101	97.4 Å²	97.4	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-41	174.2	-68.4	167	0	0	0	110.2	L590 R592 G598	L590-I594 HydrophobicContact CD2-CD1 3.98Å; L590-I594 HydrophobicContact CG-CD1 4.03Å; L590-I594 WeakPolarHBondContact O-CB 3.5Å; L590-I594 VanDerWaalsContact O-CG1 3.27Å; L590-I594 WeakPolarHBondContact O-CG1 3.23Å; L590-I594 PolarHBondContact O-N 3.31Å; R592-I594 PolarHBondContact O-N 3.33Å; I594-G598 PolarHBondContact O-N 3.06Å
595	G	82.2	Confident	84.1	Confident	46 Å²	46	100.4 Å²	100.4	47%	0.474	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-45.1	174.5	0	0	0	0	0	113.7	A591 R592 L593 G598 A599	A591-G595 PolarHBondContact O-N 3.31Å; R592-G595 CarbonylContact O-C 3.54Å; R592-G595 WeakPolarHBondContact O-CA 3.49Å; R592-G595 PolarHBondContact O-N 3.35Å; R592-G595 VanDerWaalsContact O-N 3.14Å; L593-G595 VanDerWaalsContact C-N 3.3Å; L593-G595 PolarHBondContact O-N 2.97Å; G595-G598 PolarHBondContact O-N 3.3Å; G595-A599 WeakPolarHBondContact O-CB 3.09Å; G595-A599 PolarHBondContact O-N 3.22Å
596	E	87.6	Confident	83.8	Confident	96 Å²	96	104 Å²	104	45%	0.449	54%	0.538	S	S	.	.	H	α-helix	trans	-66.8	-38	177.6	-73.8	176.1	-171.6	0	0	111.8	R592 L593 A599 S600	R592-E596 HydrophobicContact CG-CG 4.48Å; R592-E596 IonicContact CZ-OE1 2.69Å; R592-E596 IonicContact NE-OE1 3.29Å; R592-E596 PolarHBondContact NE-OE1 2.94Å; R592-E596 IonicContact NH2-OE1 3.45Å; R592-E596 WeakPolarHBondContact O-CG 3.5Å; R592-E596 PolarHBondContact O-N 3.27Å; L593-E596 PolarHBondContact O-N 2.82Å; E596-A599 PolarHBondContact O-N 3.45Å; E596-S600 WeakPolarHBondContact O-CB 3.45Å; E596-S600 PolarHBondContact O-N 2.94Å; E596-S600 PolarHBondContact O-OG 3.49Å
597	F	83.3	Confident	83.7	Confident	140 Å²	140	107 Å²	107	61%	0.614	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-42.6	173.8	-169.8	-97	0	0	0	111.7	L593 A599 S600 Q601	L593-F597 VanDerWaalsContact O-CB 3.27Å; L593-F597 WeakPolarHBondContact O-CB 3.48Å; L593-F597 PolarHBondContact O-N 2.72Å; F597-A599 VanDerWaalsContact C-N 3.33Å; F597-A599 PolarHBondContact O-N 3.43Å; F597-S600 PolarHBondContact O-N 3.39Å; F597-S600 PolarHBondContact O-OG 3.15Å; F597-Q601 VanDerWaalsContact O-CB 3.26Å; F597-Q601 WeakPolarHBondContact O-CB 3.42Å; F597-Q601 PolarHBondContact O-N 3.17Å
598	G	81.4	Confident	83.3	Confident	34 Å²	34	110 Å²	110	35%	0.351	56%	0.555	S	S	.	*	H	α-helix	trans	-60.4	-42.3	172.8	0	0	0	0	0	112.4	I594 G595 A602	I594-G598 PolarHBondContact O-N 3.06Å; G595-G598 PolarHBondContact O-N 3.3Å; G598-A602 WeakPolarHBondContact O-CB 3Å; G598-A602 PolarHBondContact O-N 2.94Å
599	A	81.7	Confident	83	Confident	63 Å²	63	108.7 Å²	108.7	52%	0.521	55%	0.547	S	S	.	.	H	α-helix	trans	-67.6	-40.8	177.3	0	0	0	0	0	112.9	G595 E596 F597 A602 K603	G595-A599 WeakPolarHBondContact O-CB 3.09Å; G595-A599 PolarHBondContact O-N 3.22Å; E596-A599 PolarHBondContact O-N 3.45Å; F597-A599 VanDerWaalsContact C-N 3.33Å; F597-A599 PolarHBondContact O-N 3.43Å; A599-A602 PolarHBondContact O-N 2.95Å; A599-K603 WeakPolarHBondContact O-CB 3.03Å; A599-K603 PolarHBondContact O-N 2.69Å
600	S	83.2	Confident	82.8	Confident	59 Å²	59	108.3 Å²	108.3	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-68.4	-42	177.6	72.8	0	0	0	0	111.4	E596 F597 A602 K603 L604	E596-S600 WeakPolarHBondContact O-CB 3.45Å; E596-S600 PolarHBondContact O-N 2.94Å; E596-S600 PolarHBondContact O-OG 3.49Å; F597-S600 PolarHBondContact O-N 3.39Å; F597-S600 PolarHBondContact O-OG 3.15Å; S600-A602 PolarHBondContact O-N 3.48Å; S600-K603 PolarHBondContact O-N 2.59Å; S600-L604 WeakPolarHBondContact O-CB 3.48Å; S600-L604 PolarHBondContact O-N 2.98Å
601	Q	83	Confident	82.6	Confident	101 Å²	101	108.2 Å²	108.2	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-61.9	-42.7	174.5	-167.8	-173.6	27.8	0	0	111.3	F597 K603 L604 K605	F597-Q601 VanDerWaalsContact O-CB 3.26Å; F597-Q601 WeakPolarHBondContact O-CB 3.42Å; F597-Q601 PolarHBondContact O-N 3.17Å; Q601-K603 PolarHBondContact O-N 3.47Å; Q601-L604 PolarHBondContact O-N 3.43Å; Q601-K605 WeakPolarHBondContact O-CB 3.41Å; Q601-K605 WeakPolarHBondContact O-CG 3.14Å; Q601-K605 PolarHBondContact O-N 3.31Å
602	A	80	Confident	82.3	Confident	45 Å²	45	110.8 Å²	110.8	37%	0.372	55%	0.546	S	S	.	.	H	α-helix	trans	-63.5	-39.7	174.7	0	0	0	0	0	112.3	G598 A599 S600 R606	G598-A602 WeakPolarHBondContact O-CB 3Å; G598-A602 PolarHBondContact O-N 2.94Å; A599-A602 PolarHBondContact O-N 2.95Å; S600-A602 PolarHBondContact O-N 3.48Å; A602-R606 WeakPolarHBondContact O-CG 3.36Å; A602-R606 PolarHBondContact O-N 3.45Å
603	K	85.2	Confident	81.8	Confident	148 Å²	148	108.4 Å²	108.4	64%	0.643	54%	0.543	S	S	*	.	H	α-helix	trans	-66.8	-39.4	176	-166.2	175.4	-174.6	176.7	0	111.8	A599 S600 Q601 R606 R607	A599-K603 WeakPolarHBondContact O-CB 3.03Å; A599-K603 PolarHBondContact O-N 2.69Å; S600-K603 PolarHBondContact O-N 2.59Å; Q601-K603 PolarHBondContact O-N 3.47Å; K603-R606 PolarHBondContact O-N 3.33Å; K603-R607 PolarHBondContact O-N 3.26Å
604	L	82.4	Confident	81.4	Confident	125 Å²	125	107.8 Å²	107.8	65%	0.654	54%	0.537	S	S	*	.	H	α-helix	trans	-67.5	-43.8	177.1	-142.3	109	0	0	0	110.9	S600 Q601 R606 R607 L608	S600-L604 WeakPolarHBondContact O-CB 3.48Å; S600-L604 PolarHBondContact O-N 2.98Å; Q601-L604 PolarHBondContact O-N 3.43Å; L604-R606 PolarHBondContact O-N 3.39Å; L604-R607 PolarHBondContact O-N 2.97Å; L604-L608 WeakPolarHBondContact O-CB 3.49Å; L604-L608 PolarHBondContact O-N 3Å
605	K	82.3	Confident	80.9	Confident	135 Å²	135	110.9 Å²	110.9	59%	0.587	54%	0.543	S	S	*	.	H	α-helix	trans	-56	-49.3	172.7	-80.4	-173.3	176.3	-175	0	111.2	Q601 R607 L608 T609	Q601-K605 WeakPolarHBondContact O-CB 3.41Å; Q601-K605 WeakPolarHBondContact O-CG 3.14Å; Q601-K605 PolarHBondContact O-N 3.31Å; K605-R607 VanDerWaalsContact C-N 3.31Å; K605-R607 PolarHBondContact O-N 2.91Å; K605-L608 WeakPolarHBondContact O-CB 3.46Å; K605-L608 PolarHBondContact O-N 3.38Å; K605-L608 VanDerWaalsContact O-N 3.15Å; K605-T609 PolarHBondContact O-N 3.11Å; K605-T609 PolarHBondContact O-OG1 3.28Å
606	R	81.4	Confident	80.2	Confident	196 Å²	196	113.3 Å²	113.3	74%	0.74	55%	0.545	S	S	*	.	H	α-helix	trans	-59.1	-38.9	176.5	-73.2	178.2	-173.5	173.3	2.8	113.3	A602 K603 L604 R610	A602-R606 WeakPolarHBondContact O-CG 3.36Å; A602-R606 PolarHBondContact O-N 3.45Å; K603-R606 PolarHBondContact O-N 3.33Å; L604-R606 PolarHBondContact O-N 3.39Å; R606-R610 WeakPolarHBondContact O-CB 3.4Å; R606-R610 PolarHBondContact O-N 3.18Å
607	R	82.6	Confident	79	Confident	177 Å²	177	115 Å²	115	67%	0.668	56%	0.555	S	S	*	*	H	α-helix	trans	-67.1	-42.4	175.7	-82.1	-177.5	140.7	-169.9	-6.4	111.9	K603 L604 K605 R610 L611	K603-R607 PolarHBondContact O-N 3.26Å; L604-R607 PolarHBondContact O-N 2.97Å; K605-R607 VanDerWaalsContact C-N 3.31Å; K605-R607 PolarHBondContact O-N 2.91Å; R607-R610 PolarHBondContact O-N 3.5Å; R607-L611 WeakPolarHBondContact O-CB 3.32Å; R607-L611 WeakPolarHBondContact O-CG 3.49Å; R607-L611 PolarHBondContact O-N 3.41Å
608	L	79.6	Confident	77.9	Confident	111 Å²	111	113.5 Å²	113.5	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-60.3	-49	176.4	-162.4	81	0	0	0	110.1	L604 K605 R610 L611 E612	L604-L608 WeakPolarHBondContact O-CB 3.49Å; L604-L608 PolarHBondContact O-N 3Å; K605-L608 WeakPolarHBondContact O-CB 3.46Å; K605-L608 PolarHBondContact O-N 3.38Å; K605-L608 VanDerWaalsContact O-N 3.15Å; L608-R610 VanDerWaalsContact C-N 3.29Å; L608-R610 PolarHBondContact O-N 3.33Å; L608-L611 PolarHBondContact O-N 3.17Å; L608-E612 VanDerWaalsContact O-CB 3.32Å; L608-E612 WeakPolarHBondContact O-CB 3.48Å; L608-E612 PolarHBondContact O-N 3.05Å
609	T	80.7	Confident	76.7	Confident	70 Å²	70	114.4 Å²	114.4	43%	0.429	55%	0.554	S	S	.	*	H	α-helix	trans	-61.6	-36.3	177.6	-42.3	0	0	0	0	112.4	K605 Q613	K605-T609 PolarHBondContact O-N 3.11Å; K605-T609 PolarHBondContact O-OG1 3.28Å; T609-Q613 WeakPolarHBondContact O-CB 3.33Å; T609-Q613 VanDerWaalsContact O-CG 3.31Å; T609-Q613 WeakPolarHBondContact O-CG 3.38Å; T609-Q613 PolarHBondContact O-N 3Å
610	R	81.7	Confident	75.3	Confident	167 Å²	167	115.7 Å²	115.7	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-69.8	-41.3	176.4	-169.1	179.2	-178.5	159.3	5	112.2	R606 R607 L608 E612 Q613 E614	R606-R610 WeakPolarHBondContact O-CB 3.4Å; R606-R610 PolarHBondContact O-N 3.18Å; R607-R610 PolarHBondContact O-N 3.5Å; L608-R610 VanDerWaalsContact C-N 3.29Å; L608-R610 PolarHBondContact O-N 3.33Å; R610-E612 VanDerWaalsContact C-N 3.32Å; R610-Q613 PolarHBondContact O-N 3.22Å; R610-E614 IonicContact NE-OE1 3.79Å; R610-E614 PolarHBondContact O-N 2.97Å
611	L	79	Confident	73.6	Confident	109 Å²	109	118 Å²	118	57%	0.571	57%	0.574	S	S	*	*	H	α-helix	trans	-66.8	-36.6	175.2	-75.7	170.7	0	0	0	111.5	R607 L608 E614 Y615	R607-L611 WeakPolarHBondContact O-CB 3.32Å; R607-L611 WeakPolarHBondContact O-CG 3.49Å; R607-L611 PolarHBondContact O-N 3.41Å; L608-L611 PolarHBondContact O-N 3.17Å; L611-E614 PolarHBondContact O-N 3.41Å; L611-Y615 VanDerWaalsContact O-CB 3.27Å; L611-Y615 WeakPolarHBondContact O-CB 3.36Å; L611-Y615 PolarHBondContact O-N 3.17Å
612	E	75.1	Confident	72	Confident	117 Å²	117	120 Å²	120	55%	0.547	59%	0.588	S	S	.	*	H	α-helix	trans	-65	-42.1	174.7	-161.6	167.3	-158	0	0	110.6	L608 R610 Y615 D616	L608-E612 VanDerWaalsContact O-CB 3.32Å; L608-E612 WeakPolarHBondContact O-CB 3.48Å; L608-E612 PolarHBondContact O-N 3.05Å; R610-E612 VanDerWaalsContact C-N 3.32Å; E612-Y615 PolarHBondContact O-N 3.11Å; E612-D616 WeakPolarHBondContact O-CB 3.39Å; E612-D616 PolarHBondContact O-N 2.73Å
613	Q	75.1	Confident	70.5	Confident	125 Å²	125	123.1 Å²	123.1	58%	0.584	60%	0.602	S	S	*	*	H	α-helix	trans	-64.4	-41.9	171.8	-76.2	176.3	-12.6	0	0	113.5	T609 R610 Y615 M617	T609-Q613 WeakPolarHBondContact O-CB 3.33Å; T609-Q613 VanDerWaalsContact O-CG 3.31Å; T609-Q613 WeakPolarHBondContact O-CG 3.38Å; T609-Q613 PolarHBondContact O-N 3Å; R610-Q613 PolarHBondContact O-N 3.22Å; Q613-Y615 VanDerWaalsContact C-N 3.33Å; Q613-M617 WeakPolarHBondContact O-CB 3.34Å; Q613-M617 WeakPolarHBondContact O-CG 3.47Å; Q613-M617 PolarHBondContact O-N 3.21Å
614	E	77.8	Confident	68.4	Low	98 Å²	98	124.5 Å²	124.5	46%	0.458	61%	0.61	S	S	.	*	H	α-helix	trans	-66.3	-37	175.9	-80.5	175.1	-170.1	0	0	111.6	R610 L611 N618	R610-E614 IonicContact NE-OE1 3.79Å; R610-E614 PolarHBondContact O-N 2.97Å; L611-E614 PolarHBondContact O-N 3.41Å; E614-N618 WeakPolarHBondContact O-CB 3.48Å; E614-N618 PolarHBondContact O-N 3.19Å
615	Y	73	Confident	66.3	Low	166 Å²	166	125.6 Å²	125.6	65%	0.651	62%	0.617	S	S	*	*	H	α-helix	trans	-68	-44.7	175.5	-170.9	-92.9	0	0	0	111.5	L611 E612 Q613 M617 N618 S619	L611-Y615 VanDerWaalsContact O-CB 3.27Å; L611-Y615 WeakPolarHBondContact O-CB 3.36Å; L611-Y615 PolarHBondContact O-N 3.17Å; E612-Y615 PolarHBondContact O-N 3.11Å; Q613-Y615 VanDerWaalsContact C-N 3.33Å; Y615-M617 VanDerWaalsContact C-N 3.35Å; Y615-M617 PolarHBondContact O-N 3.4Å; Y615-N618 PolarHBondContact O-N 3.31Å; Y615-S619 WeakPolarHBondContact O-CB 3.45Å; Y615-S619 PolarHBondContact O-N 2.97Å
616	D	67.6	Low	64.1	Low	97 Å²	97	126.1 Å²	126.1	52%	0.519	63%	0.626	S	S	.	*	H	α-helix	trans	-64.8	-38.5	176.4	-78.3	-14.8	0	0	0	111.6	E612 S620	E612-D616 WeakPolarHBondContact O-CB 3.39Å; E612-D616 PolarHBondContact O-N 2.73Å; D616-S620 WeakPolarHBondContact O-CB 3.44Å; D616-S620 PolarHBondContact O-N 2.68Å; D616-S620 PolarHBondContact O-OG 3.23Å
617	M	63.8	Low	62	Low	133 Å²	133	122.9 Å²	122.9	66%	0.655	62%	0.624	S	S	*	*	H	α-helix	trans	-66.9	-44.7	175.6	-75.4	-69.2	-68.2	0	0	112.4	Q613 Y615 S620 C621	Q613-M617 WeakPolarHBondContact O-CB 3.34Å; Q613-M617 WeakPolarHBondContact O-CG 3.47Å; Q613-M617 PolarHBondContact O-N 3.21Å; Y615-M617 VanDerWaalsContact C-N 3.35Å; Y615-M617 PolarHBondContact O-N 3.4Å; M617-S620 WeakPolarHBondContact O-CB 3.31Å; M617-S620 PolarHBondContact O-N 3.4Å; M617-C621 PolarHBondContact O-N 3.3Å; M617-C621 VanDerWaalsContact O-N 3.09Å
618	N	59.5	Low	59.7	Low	108 Å²	108	120.6 Å²	120.6	58%	0.578	63%	0.625	S	S	*	*	H	α-helix	trans	-70.9	-34.7	177.5	-80	-15.6	0	0	0	112.2	E614 Y615 S620 C621 L622	E614-N618 WeakPolarHBondContact O-CB 3.48Å; E614-N618 PolarHBondContact O-N 3.19Å; Y615-N618 PolarHBondContact O-N 3.31Å; N618-S620 PolarHBondContact O-N 3.48Å; N618-C621 PolarHBondContact O-N 2.61Å; N618-L622 WeakPolarHBondContact O-CB 3.44Å; N618-L622 WeakPolarHBondContact O-CG 3.49Å; N618-L622 PolarHBondContact O-N 3.16Å; N618-L622 VanDerWaalsContact O-N 3.13Å
619	S	56	Low	57.6	Low	52 Å²	52	121.3 Å²	121.3	36%	0.364	63%	0.629	S	S	.	*	H	α-helix	trans	-69.4	-24.3	172.6	-167.9	0	0	0	0	111.8	Y615 V623	Y615-S619 WeakPolarHBondContact O-CB 3.45Å; Y615-S619 PolarHBondContact O-N 2.97Å; S619-V623 WeakPolarHBondContact O-CG2 3.44Å
620	S	52.5	Low	55.4	Low	90 Å²	90	124.7 Å²	124.7	63%	0.629	64%	0.644	S	S	*	*	H	α-helix	trans	-78.8	-30.8	173.6	-57	0	0	0	0	112.6	D616 M617 N618	D616-S620 WeakPolarHBondContact O-CB 3.44Å; D616-S620 PolarHBondContact O-N 2.68Å; D616-S620 PolarHBondContact O-OG 3.23Å; M617-S620 WeakPolarHBondContact O-CB 3.31Å; M617-S620 PolarHBondContact O-N 3.4Å; N618-S620 PolarHBondContact O-N 3.48Å
621	C	47.7	Very low	53.5	Low	108 Å²	108	125.1 Å²	125.1	73%	0.73	65%	0.653	S	S	*	*	H	α-helix	trans	-82.3	-16.4	176.3	-95.6	0	0	0	0	114.2	M617 N618	M617-C621 PolarHBondContact O-N 3.3Å; M617-C621 VanDerWaalsContact O-N 3.09Å; N618-C621 PolarHBondContact O-N 2.61Å
622	L	48.6	Very low	51.7	Low	143 Å²	143	124.6 Å²	124.6	75%	0.749	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	11.5	179.8	-68.1	173.4	0	0	0	113.8	N618	N618-L622 WeakPolarHBondContact O-CB 3.44Å; N618-L622 WeakPolarHBondContact O-CG 3.49Å; N618-L622 PolarHBondContact O-N 3.16Å; N618-L622 VanDerWaalsContact O-N 3.13Å
623	V	49.3	Very low	50	Low	111 Å²	111	124.2 Å²	124.2	67%	0.673	67%	0.666	S	S	*	*			trans	-113.8	28.9	-177.4	177.8	0	0	0	0	112.2	S619	S619-V623 WeakPolarHBondContact O-CG2 3.44Å
624	Q	40.6	Very low	48	Very low	176 Å²	176	128.9 Å²	128.9	82%	0.822	68%	0.679	S	S	*	*	S	Bend	trans	-107.5	127.1	154.4	-76.8	-179.4	-28.2	0	0	107.1
625	D	38.9	Very low	45.8	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	70%	0.696	S	S	*	*	S	Bend	trans	77.2	65.1	-175.2	-61.3	-16.6	0	0	0	117.2
626	N	36.6	Very low	44	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	71%	0.707	S	S	*	*				-170.6	101.6	99.6	-98.5	-39.1	0	0	0	111.1
627	N	35.3	Very low	42.6	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	72%	0.716	S	S	*	*			trans	29.3	115.3	133.8	-76.8	-24	0	0	0	118.6
628	N	34.3	Very low	41.1	Very low	129 Å²	129	141.7 Å²	141.7	69%	0.69	71%	0.714	S	S	*	*				79.3	120.8	118.5	-70.5	-6.4	0	0	0	118.9
629	D	37.2	Very low	40.1	Very low	127 Å²	127	139.7 Å²	139.7	68%	0.679	71%	0.708	S	S	*	*			trans	85.4	95	144.9	-56.2	-32.5	0	0	0	116.1
630	N	34.7	Very low	39.3	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	72%	0.718	S	S	*	*				108.2	134.5	54.3	-94.4	-40.4	0	0	0	110.3
631	H	41.2	Very low	38.6	Very low	177 Å²	177	143.8 Å²	143.8	82%	0.819	72%	0.715	S	S	*	*			trans	76	124.6	173.4	-81.6	-42.9	0	0	0	118.8
632	S	41.2	Very low	38.1	Very low	97 Å²	97	145.1 Å²	145.1	68%	0.678	72%	0.715	S	S	*	*			cis	-166.7	177.6	15.4	-136.1	0	0	0	0	111.2
633	P	39	Very low	37.7	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	71%	0.705	S	S	*	*				-128.1	125.1	-112.6	32.8	-11.2	0	0	0	113.6
634	R	32.3	Very low	37.1	Very low	224 Å²	224	143.5 Å²	143.5	85%	0.845	71%	0.706	S	S	*	*			trans	-155.3	-5.7	169.6	-121.6	168.7	-172.7	-176.6	1.5	120.4
635	Y	33	Very low	36.8	Very low	209 Å²	209	141.5 Å²	141.5	82%	0.82	70%	0.701	S	S	*	*	S	Bend	trans	-107.9	25.6	-173.8	-73.9	-79.6	0	0	0	115.2
636	R	33.9	Very low	36.6	Very low	232 Å²	232	138.8 Å²	138.8	88%	0.875	69%	0.694	S	S	*	*	S	Bend	trans	-101	12.5	173.5	-126.6	-176.9	-146.8	169.2	6.7	114.4
637	K	38.4	Very low	36.4	Very low	165 Å²	165	140.4 Å²	140.4	72%	0.717	70%	0.697	S	S	*	*	S	Bend	trans	-124.3	-6.1	-176.7	-139.8	176.7	-175.1	179.6	0	114.8	Q641	K637-Q641 PolarHBondContact O-OE1 3.09Å
638	Y	33.9	Very low	36.3	Very low	156 Å²	156	141 Å²	141	61%	0.612	70%	0.699	S	S	*	*	S	Bend	trans	-97.5	-20.9	179.1	-90.1	-85.8	0	0	0	113.5
639	S	38.5	Very low	36.2	Very low	66 Å²	66	139 Å²	139	46%	0.462	69%	0.694	S	S	.	*	H	α-helix	trans	-72.3	-30.6	174.9	53.1	0	0	0	0	113	T643	S639-T643 PolarHBondContact O-OG1 2.92Å
640	D	38.8	Very low	36.1	Very low	106 Å²	106	140.8 Å²	140.8	57%	0.567	70%	0.699	S	S	*	*	H	α-helix	trans	-87.5	-8.8	-177.2	-62.6	-8.2	0	0	0	113	N644	D640-N644 PolarHBondContact O-ND2 3.34Å
641	Q	37.8	Very low	36.4	Very low	122 Å²	122	140 Å²	140	57%	0.57	70%	0.696	S	S	*	*	H	α-helix	trans	-93.5	-25.8	173.8	-91.6	171.7	-32	0	0	112.7	K637	K637-Q641 PolarHBondContact O-OE1 3.09Å
642	L	37	Very low	36.4	Very low	137 Å²	137	135.8 Å²	135.8	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-82.2	-16.2	178.7	-88.8	147.8	0	0	0	113.9
643	T	40.4	Very low	36.4	Very low	90 Å²	90	138.2 Å²	138.2	55%	0.552	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-15.7	178	43	0	0	0	0	114	S639 S646	S639-T643 PolarHBondContact O-OG1 2.92Å; T643-S646 PolarHBondContact O-OG 3.23Å; T643-S646 VanDerWaalsContact O-OG 3.04Å
644	N	36	Very low	36.6	Very low	130 Å²	130	136.1 Å²	136.1	70%	0.695	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-20.3	-179.5	-80.5	-42.1	0	0	0	114.4	D640	D640-N644 PolarHBondContact O-ND2 3.34Å
645	D	33.7	Very low	37.2	Very low	133 Å²	133	130.9 Å²	130.9	71%	0.711	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-2.8	178.3	-79.6	-15.9	0	0	0	113.9	Q647	D645-Q647 PolarHBondContact O-N 3.44Å
646	S	35.9	Very low	37.9	Very low	91 Å²	91	129.3 Å²	129.3	64%	0.636	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	12.1	178	35.9	0	0	0	0	115.2	T643	T643-S646 PolarHBondContact O-OG 3.23Å; T643-S646 VanDerWaalsContact O-OG 3.04Å
647	Q	32.8	Very low	38.6	Very low	182 Å²	182	122.7 Å²	122.7	85%	0.85	63%	0.631	S	S	*	*			trans	-119.8	66.5	172	-69.3	-172.4	-5	0	0	111.3	D645	D645-Q647 PolarHBondContact O-N 3.44Å
648	L	31.8	Very low	39.4	Very low	138 Å²	138	123.9 Å²	123.9	72%	0.723	63%	0.631	S	S	*	*			trans	-121.8	124.3	160.1	-101.1	134.4	0	0	0	109.1	M650	L648-M650 PolarHBondContact O-N 3.13Å
649	P	33	Very low	40.4	Very low	89 Å²	89	122.6 Å²	122.6	58%	0.578	63%	0.629	S	S	*	*			trans	-69.2	135.1	-166.8	27.6	-32.9	0	0	0	110.8	N651 T652	P649-N651 PolarHBondContact O-N 3.34Å; P649-T652 PolarHBondContact O-OG1 3.18Å
650	M	34.8	Very low	40.9	Very low	163 Å²	163	121.3 Å²	121.3	80%	0.803	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.1	-1.3	176.6	-82.3	-99	-68.6	0	0	117.5	L648	L648-M650 PolarHBondContact O-N 3.13Å
651	N	40.4	Very low	41.8	Very low	125 Å²	125	120.6 Å²	120.6	67%	0.668	62%	0.615	S	S	*	*	H	α-helix	trans	-83	-30.3	-174.9	-72.2	-11.5	0	0	0	113.2	P649 S654	P649-N651 PolarHBondContact O-N 3.34Å; N651-S654 PolarHBondContact O-OG 3.3Å; N651-S654 VanDerWaalsContact O-OG 3.04Å
652	T	42.1	Very low	42.6	Very low	88 Å²	88	121.1 Å²	121.1	54%	0.54	62%	0.618	S	S	.	*	H	α-helix	trans	-76.8	-33.6	-173.6	6.8	0	0	0	0	113.9	P649 S654 Y656	P649-T652 PolarHBondContact O-OG1 3.18Å; T652-S654 VanDerWaalsContact C-N 3.35Å; T652-Y656 PolarHBondContact O-N 3.02Å
653	E	40.1	Very low	43.5	Very low	148 Å²	148	118 Å²	118	69%	0.692	60%	0.604	S	S	*	*	H	α-helix	trans	-71.2	-29.2	175.7	-82.9	-174.4	146	0	0	112.7	Y656 N657	E653-Y656 PolarHBondContact O-N 3.37Å; E653-N657 PolarHBondContact O-N 3.23Å; E653-N657 VanDerWaalsContact O-N 3.11Å
654	S	44.2	Very low	44.2	Very low	64 Å²	64	118 Å²	118	45%	0.448	60%	0.6	S	S	.	*	H	α-helix	trans	-70.1	-34.3	178.1	87.5	0	0	0	0	112.6	N651 T652 R658	N651-S654 PolarHBondContact O-OG 3.3Å; N651-S654 VanDerWaalsContact O-OG 3.04Å; T652-S654 VanDerWaalsContact C-N 3.35Å; S654-R658 PolarHBondContact O-N 3.07Å; S654-R658 VanDerWaalsContact O-N 3.1Å
655	E	45.5	Very low	45	Very low	115 Å²	115	119 Å²	119	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-73.2	-38.6	175.3	-90	-160	140.1	0	0	112.3	R658 K659	E655-R658 PolarHBondContact O-N 3.19Å; E655-K659 WeakPolarHBondContact O-CG 2.92Å; E655-K659 PolarHBondContact O-N 3.14Å
656	Y	47.3	Very low	46	Very low	176 Å²	176	119.6 Å²	119.6	69%	0.69	59%	0.593	S	S	*	*	H	α-helix	trans	-63	-43.2	176.2	-171.9	-100.9	0	0	0	111.3	T652 E653 K659 S660	T652-Y656 PolarHBondContact O-N 3.02Å; E653-Y656 PolarHBondContact O-N 3.37Å; Y656-K659 PolarHBondContact O-N 3.33Å; Y656-S660 PolarHBondContact O-N 3.09Å; Y656-S660 PolarHBondContact O-OG 3.28Å
657	N	47.9	Very low	46.8	Very low	92 Å²	92	122.2 Å²	122.2	49%	0.492	59%	0.593	S	S	.	*	H	α-helix	trans	-68.2	-32	175.4	-80.7	-25.6	0	0	0	113.5	E653 S660 I661	E653-N657 PolarHBondContact O-N 3.23Å; E653-N657 VanDerWaalsContact O-N 3.11Å; N657-S660 WeakPolarHBondContact CA-OG 3.47Å; N657-S660 PolarHBondContact O-OG 3.19Å; N657-I661 WeakPolarHBondContact O-CB 3.28Å; N657-I661 WeakPolarHBondContact O-CD1 3.26Å; N657-I661 WeakPolarHBondContact O-CG1 3.36Å; N657-I661 PolarHBondContact O-N 2.66Å
658	R	56.3	Low	47.6	Very low	190 Å²	190	118 Å²	118	72%	0.717	57%	0.573	S	S	*	*	H	α-helix	trans	-67.3	-43.7	172.3	-84	-174.7	-177.7	-165.3	2.4	112.5	S654 E655 I661 Q662	S654-R658 PolarHBondContact O-N 3.07Å; S654-R658 VanDerWaalsContact O-N 3.1Å; E655-R658 PolarHBondContact O-N 3.19Å; R658-I661 PolarHBondContact O-N 3.09Å; R658-Q662 PolarHBondContact O-N 3.43Å
659	K	54.6	Low	48.6	Very low	129 Å²	129	113 Å²	113	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-66.8	-38.9	179.8	-74.2	178	-179.7	170.9	0	111.9	E655 Y656 Q662 T663	E655-K659 WeakPolarHBondContact O-CG 2.92Å; E655-K659 PolarHBondContact O-N 3.14Å; Y656-K659 PolarHBondContact O-N 3.33Å; K659-Q662 PolarHBondContact O-N 3.06Å; K659-T663 PolarHBondContact O-N 2.96Å; K659-T663 VanDerWaalsContact O-N 3.07Å; K659-T663 PolarHBondContact O-OG1 3.31Å
660	S	48.8	Very low	49.4	Very low	40 Å²	40	113.2 Å²	113.2	28%	0.28	55%	0.55	S	S	.	*	H	α-helix	trans	-66.2	-42.2	176.2	65.5	0	0	0	0	112.2	Y656 N657 T663 I664	Y656-S660 PolarHBondContact O-N 3.09Å; Y656-S660 PolarHBondContact O-OG 3.28Å; N657-S660 WeakPolarHBondContact CA-OG 3.47Å; N657-S660 PolarHBondContact O-OG 3.19Å; S660-T663 PolarHBondContact O-N 3.44Å; S660-I664 VanDerWaalsContact O-CG1 3.31Å; S660-I664 WeakPolarHBondContact O-CG1 3.44Å; S660-I664 PolarHBondContact O-N 3.07Å
661	I	56.7	Low	49.9	Very low	90 Å²	90	110.8 Å²	110.8	46%	0.462	54%	0.537	S	S	.	.	H	α-helix	trans	-64.5	-40.3	176.3	-68.9	169.5	0	0	0	112	N657 R658 T663 I664 R665	N657-I661 WeakPolarHBondContact O-CB 3.28Å; N657-I661 WeakPolarHBondContact O-CD1 3.26Å; N657-I661 WeakPolarHBondContact O-CG1 3.36Å; N657-I661 PolarHBondContact O-N 2.66Å; R658-I661 PolarHBondContact O-N 3.09Å; I661-T663 VanDerWaalsContact C-N 3.34Å; I661-T663 PolarHBondContact O-N 3.33Å; I661-I664 PolarHBondContact O-N 3.31Å; I661-R665 PolarHBondContact O-N 3.44Å
662	Q	55.9	Low	50.3	Low	133 Å²	133	110.3 Å²	110.3	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-62.8	-40.1	173.9	-89.6	-179.7	-27.9	0	0	112.3	R658 K659 R665 Q666	R658-Q662 PolarHBondContact O-N 3.43Å; K659-Q662 PolarHBondContact O-N 3.06Å; Q662-R665 PolarHBondContact O-N 3.47Å; Q662-Q666 PolarHBondContact O-N 3.23Å
663	T	55.3	Low	50.7	Low	71 Å²	71	114.1 Å²	114.1	44%	0.436	54%	0.543	S	S	.	.	H	α-helix	trans	-66.6	-38	178.4	-49.6	0	0	0	0	111.5	K659 S660 I661 Q666 K667	K659-T663 PolarHBondContact O-N 2.96Å; K659-T663 VanDerWaalsContact O-N 3.07Å; K659-T663 PolarHBondContact O-OG1 3.31Å; S660-T663 PolarHBondContact O-N 3.44Å; I661-T663 VanDerWaalsContact C-N 3.34Å; I661-T663 PolarHBondContact O-N 3.33Å; T663-Q666 PolarHBondContact O-N 3.46Å; T663-K667 PolarHBondContact O-N 3.04Å
664	I	55.9	Low	51.3	Low	91 Å²	91	110.9 Å²	110.9	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-67.2	-42.3	175.5	-67	164.9	0	0	0	111	S660 I661 Q666 K667 Q668	S660-I664 VanDerWaalsContact O-CG1 3.31Å; S660-I664 WeakPolarHBondContact O-CG1 3.44Å; S660-I664 PolarHBondContact O-N 3.07Å; I661-I664 PolarHBondContact O-N 3.31Å; I664-Q666 PolarHBondContact O-N 3.01Å; I664-K667 PolarHBondContact O-N 3.3Å; I664-Q668 HydrophobicContact CG2-CG 4.36Å; I664-Q668 WeakPolarHBondContact O-CB 3.32Å; I664-Q668 WeakPolarHBondContact O-CG 3.21Å; I664-Q668 PolarHBondContact O-N 3.07Å
665	R	52.9	Low	51.3	Low	152 Å²	152	112.1 Å²	112.1	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-61.2	-41.7	175.6	-80.4	-175.9	176.6	176.9	-1.8	112.6	I661 Q662 G669	I661-R665 PolarHBondContact O-N 3.44Å; Q662-R665 PolarHBondContact O-N 3.47Å; R665-G669 PolarHBondContact O-N 2.95Å
666	Q	54.5	Low	51.3	Low	144 Å²	144	112.4 Å²	112.4	67%	0.673	53%	0.532	S	S	*	.	H	α-helix	trans	-64.3	-43.9	174.9	-86.1	-176.5	-21.9	0	0	112.1	Q662 T663 I664 G669 I670	Q662-Q666 PolarHBondContact O-N 3.23Å; T663-Q666 PolarHBondContact O-N 3.46Å; I664-Q666 PolarHBondContact O-N 3.01Å; Q666-G669 PolarHBondContact O-N 3.5Å; Q666-I670 WeakPolarHBondContact O-CD1 3.47Å; Q666-I670 VanDerWaalsContact O-CG1 3.27Å; Q666-I670 WeakPolarHBondContact O-CG1 3.42Å; Q666-I670 PolarHBondContact O-N 3.36Å
667	K	53	Low	51.2	Low	146 Å²	146	111.8 Å²	111.8	64%	0.635	53%	0.533	S	S	*	.	H	α-helix	trans	-64.3	-41.5	177.5	-77.4	-174.4	175.8	-175.8	0	112.4	T663 I664 I670 Q671	T663-K667 PolarHBondContact O-N 3.04Å; I664-K667 PolarHBondContact O-N 3.3Å; K667-I670 PolarHBondContact O-N 2.85Å; K667-Q671 PolarHBondContact O-N 3.3Å
668	Q	49.3	Very low	50.8	Low	93 Å²	93	113.2 Å²	113.2	44%	0.435	54%	0.537	S	S	.	.	H	α-helix	trans	-67.6	-39.2	177.9	-74.6	178.9	-15.3	0	0	112.9	I664 I670 Q671 L672	I664-Q668 HydrophobicContact CG2-CG 4.36Å; I664-Q668 WeakPolarHBondContact O-CB 3.32Å; I664-Q668 WeakPolarHBondContact O-CG 3.21Å; I664-Q668 PolarHBondContact O-N 3.07Å; Q668-I670 VanDerWaalsContact C-N 3.28Å; Q668-I670 PolarHBondContact O-N 2.81Å; Q668-Q671 PolarHBondContact O-N 2.91Å; Q668-L672 PolarHBondContact O-N 2.81Å
669	G	51.4	Low	50	Low	34 Å²	34	113 Å²	113	35%	0.351	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-31.4	174.8	0	0	0	0	0	113.5	R665 Q666 K673	R665-G669 PolarHBondContact O-N 2.95Å; Q666-G669 PolarHBondContact O-N 3.5Å; G669-K673 WeakPolarHBondContact O-CG 2.94Å; G669-K673 PolarHBondContact O-N 3.16Å
670	I	51.4	Low	49.4	Very low	93 Å²	93	111.8 Å²	111.8	48%	0.477	54%	0.536	S	S	.	.	H	α-helix	trans	-73.7	-42.8	173.9	-65.8	164.5	0	0	0	110.7	Q666 K667 Q668 L672 K673 I674	Q666-I670 WeakPolarHBondContact O-CD1 3.47Å; Q666-I670 VanDerWaalsContact O-CG1 3.27Å; Q666-I670 WeakPolarHBondContact O-CG1 3.42Å; Q666-I670 PolarHBondContact O-N 3.36Å; K667-I670 PolarHBondContact O-N 2.85Å; Q668-I670 VanDerWaalsContact C-N 3.28Å; Q668-I670 PolarHBondContact O-N 2.81Å; I670-L672 PolarHBondContact O-N 3.41Å; I670-K673 PolarHBondContact O-N 3.1Å; I670-I674 HydrophobicContact CG2-CD1 3.98Å; I670-I674 WeakPolarHBondContact O-CG1 3.2Å; I670-I674 PolarHBondContact O-N 2.75Å; I670-I674 VanDerWaalsContact O-N 3.12Å
671	Q	44	Very low	49	Very low	113 Å²	113	113.9 Å²	113.9	53%	0.528	55%	0.547	S	S	.	.	H	α-helix	trans	-62.7	-39.6	178.7	-135.7	77.5	8.5	0	0	112.5	K667 Q668 I674 N675	K667-Q671 PolarHBondContact O-N 3.3Å; Q668-Q671 PolarHBondContact O-N 2.91Å; Q671-I674 PolarHBondContact O-N 2.94Å; Q671-N675 PolarHBondContact O-N 2.88Å
672	L	49.2	Very low	48	Very low	114 Å²	114	112.1 Å²	112.1	60%	0.597	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-40.2	176.1	-77.6	164.8	0	0	0	112.1	Q668 I670 I674 N675 H676	Q668-L672 PolarHBondContact O-N 2.81Å; I670-L672 PolarHBondContact O-N 3.41Å; L672-I674 VanDerWaalsContact C-N 3.33Å; L672-I674 PolarHBondContact O-N 2.78Å; L672-N675 PolarHBondContact O-N 3.1Å; L672-H676 WeakPolarHBondContact O-CB 3.46Å; L672-H676 PolarHBondContact O-N 3.38Å
673	K	51.4	Low	47	Very low	168 Å²	168	111 Å²	111	73%	0.73	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-35	175.1	-74.8	-178	177.6	-173.2	0	112.6	G669 I670 K677	G669-K673 WeakPolarHBondContact O-CG 2.94Å; G669-K673 PolarHBondContact O-N 3.16Å; I670-K673 PolarHBondContact O-N 3.1Å; K673-K677 PolarHBondContact O-N 3.21Å
674	I	51	Low	46.1	Very low	80 Å²	80	111.5 Å²	111.5	41%	0.41	55%	0.547	S	S	.	.	H	α-helix	trans	-69.2	-46.4	176.7	-66.3	165.7	0	0	0	110.8	I670 Q671 L672 H676 K677 Q678	I670-I674 HydrophobicContact CG2-CD1 3.98Å; I670-I674 WeakPolarHBondContact O-CG1 3.2Å; I670-I674 PolarHBondContact O-N 2.75Å; I670-I674 VanDerWaalsContact O-N 3.12Å; Q671-I674 PolarHBondContact O-N 2.94Å; L672-I674 VanDerWaalsContact C-N 3.33Å; L672-I674 PolarHBondContact O-N 2.78Å; I674-H676 VanDerWaalsContact C-N 3.3Å; I674-H676 PolarHBondContact O-N 2.95Å; I674-K677 PolarHBondContact O-N 2.78Å; I674-K677 VanDerWaalsContact O-N 3.16Å; I674-Q678 PolarHBondContact O-N 3.32Å
675	N	43.9	Very low	45	Very low	91 Å²	91	110.3 Å²	110.3	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-35.1	178.4	-74.5	-10.8	0	0	0	112.2	Q671 L672 K677 Q678 R679	Q671-N675 PolarHBondContact O-N 2.88Å; L672-N675 PolarHBondContact O-N 3.1Å; N675-K677 VanDerWaalsContact C-N 3.33Å; N675-Q678 PolarHBondContact O-N 3.43Å; N675-R679 PolarHBondContact O-N 3.2Å
676	H	46.9	Very low	44.1	Very low	121 Å²	121	106.6 Å²	106.6	56%	0.56	54%	0.544	S	S	*	.	H	α-helix	trans	-67.7	-33.5	175.9	-142.7	-44.6	0	0	0	112.5	L672 I674 N680	L672-H676 WeakPolarHBondContact O-CB 3.46Å; L672-H676 PolarHBondContact O-N 3.38Å; I674-H676 VanDerWaalsContact C-N 3.3Å; I674-H676 PolarHBondContact O-N 2.95Å; H676-N680 PolarHBondContact O-N 2.97Å
677	K	44.8	Very low	43.1	Very low	163 Å²	163	105.8 Å²	105.8	71%	0.709	55%	0.549	S	S	*	.	H	α-helix	trans	-71.9	-39.1	175.7	-159.7	171.3	-175.5	176.8	0	111.8	K673 I674 N675 T681	K673-K677 PolarHBondContact O-N 3.21Å; I674-K677 PolarHBondContact O-N 2.78Å; I674-K677 VanDerWaalsContact O-N 3.16Å; N675-K677 VanDerWaalsContact C-N 3.33Å; K677-T681 PolarHBondContact O-N 2.68Å; K677-T681 PolarHBondContact O-OG1 2.76Å
678	Q	40	Very low	42.1	Very low	122 Å²	122	102.6 Å²	102.6	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-69.8	-28.1	175.1	-77.1	-177.8	-20.3	0	0	113.9	I674 N675 T681 S682	I674-Q678 PolarHBondContact O-N 3.32Å; N675-Q678 PolarHBondContact O-N 3.43Å; Q678-T681 PolarHBondContact O-OG1 3.34Å; Q678-S682 PolarHBondContact O-N 3.11Å; Q678-S682 PolarHBondContact O-OG 3.07Å; Q678-S682 VanDerWaalsContact O-OG 3.06Å
679	R	38.2	Very low	41.3	Very low	185 Å²	185	104.3 Å²	104.3	70%	0.698	56%	0.556	S	S	*	*	H	α-helix	trans	-76.4	-33.5	176	-114.8	179.6	178.5	176	-0.6	113.4	N675 T681 S682 N683	N675-R679 PolarHBondContact O-N 3.2Å; R679-T681 VanDerWaalsContact C-N 3.34Å; R679-S682 WeakPolarHBondContact CA-OG 3.41Å; R679-S682 PolarHBondContact O-N 3.07Å; R679-S682 PolarHBondContact O-OG 3.27Å; R679-S682 VanDerWaalsContact O-OG 3.08Å; R679-N683 PolarHBondContact O-N 3.01Å
680	N	42.2	Very low	40.4	Very low	103 Å²	103	113.2 Å²	113.2	55%	0.551	58%	0.581	S	S	*	*	H	α-helix	trans	-74.3	-26	177.4	-75.3	-4.6	0	0	0	112.4	H676 S684	H676-N680 PolarHBondContact O-N 2.97Å; N680-S684 PolarHBondContact O-N 3.49Å; N680-S684 PolarHBondContact O-OG 2.91Å
681	T	40.9	Very low	39.5	Very low	85 Å²	85	116.4 Å²	116.4	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-80.4	-24.6	174	53.2	0	0	0	0	113.6	K677 Q678 R679 S684 S685	K677-T681 PolarHBondContact O-N 2.68Å; K677-T681 PolarHBondContact O-OG1 2.76Å; Q678-T681 PolarHBondContact O-OG1 3.34Å; R679-T681 VanDerWaalsContact C-N 3.34Å; T681-S684 PolarHBondContact O-OG 3.28Å; T681-S685 PolarHBondContact O-OG 3.5Å
682	S	34.9	Very low	38.9	Very low	52 Å²	52	119.9 Å²	119.9	36%	0.364	61%	0.612	S	S	.	*	H	α-helix	trans	-82.9	-30.1	174.6	49.8	0	0	0	0	113.4	Q678 R679 S685 S686	Q678-S682 PolarHBondContact O-N 3.11Å; Q678-S682 PolarHBondContact O-OG 3.07Å; Q678-S682 VanDerWaalsContact O-OG 3.06Å; R679-S682 WeakPolarHBondContact CA-OG 3.41Å; R679-S682 PolarHBondContact O-N 3.07Å; R679-S682 PolarHBondContact O-OG 3.27Å; R679-S682 VanDerWaalsContact O-OG 3.08Å; S682-S685 WeakPolarHBondContact CA-OG 3.36Å; S682-S685 PolarHBondContact O-OG 2.89Å; S682-S685 VanDerWaalsContact O-OG 3.09Å; S682-S686 PolarHBondContact O-N 2.98Å; S682-S686 PolarHBondContact O-OG 3.06Å
683	N	36.7	Very low	38	Very low	111 Å²	111	125.7 Å²	125.7	59%	0.594	63%	0.626	S	S	*	*	H	α-helix	trans	-77.1	-25	174	-80.8	-7.3	0	0	0	113.7	R679	R679-N683 PolarHBondContact O-N 3.01Å
684	S	35.4	Very low	37.1	Very low	80 Å²	80	126.9 Å²	126.9	56%	0.559	63%	0.634	S	S	*	*	H	α-helix	trans	-79.4	-19.8	172.8	61.3	0	0	0	0	113.7	N680 T681	N680-S684 PolarHBondContact O-N 3.49Å; N680-S684 PolarHBondContact O-OG 2.91Å; T681-S684 PolarHBondContact O-OG 3.28Å
685	S	33.5	Very low	36.2	Very low	66 Å²	66	127.5 Å²	127.5	46%	0.462	65%	0.646	S	S	.	*	H	α-helix	trans	-88.1	-17.7	175.2	34.9	0	0	0	0	113.2	T681 S682 T687	T681-S685 PolarHBondContact O-OG 3.5Å; S682-S685 WeakPolarHBondContact CA-OG 3.36Å; S682-S685 PolarHBondContact O-OG 2.89Å; S682-S685 VanDerWaalsContact O-OG 3.09Å; S685-T687 PolarHBondContact O-N 3.17Å
686	S	33.6	Very low	35.5	Very low	75 Å²	75	130.7 Å²	130.7	52%	0.524	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	-4.2	-178.7	-56.9	0	0	0	0	114.7	S682	S682-S686 PolarHBondContact O-N 2.98Å; S682-S686 PolarHBondContact O-OG 3.06Å
687	T	34	Very low	34.8	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	11.9	176.3	36.9	0	0	0	0	114	S685	S685-T687 PolarHBondContact O-N 3.17Å
688	S	31.4	Very low	34.2	Very low	79 Å²	79	128.2 Å²	128.2	55%	0.552	68%	0.679	S	S	*	*			trans	-109.1	13.4	172.2	82.1	0	0	0	0	114.8	Y690	S688-Y690 PolarHBondContact O-N 3.16Å
689	I	31.6	Very low	33.7	Very low	129 Å²	129	130.5 Å²	130.5	66%	0.662	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	1.7	-176.2	-66.4	178.3	0	0	0	113.5
690	Y	33.8	Very low	33.3	Very low	221 Å²	221	125.4 Å²	125.4	87%	0.867	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-0.5	175.3	-84.2	-81.8	0	0	0	116	S688	S688-Y690 PolarHBondContact O-N 3.16Å
691	D	32.7	Very low	33	Very low	161 Å²	161	125.7 Å²	125.7	86%	0.861	71%	0.71	S	S	*	*	S	Bend	trans	-117.2	20.8	-178.3	-99.8	-17	0	0	0	114.3
692	K	31.6	Very low	32.6	Very low	185 Å²	185	128.5 Å²	128.5	80%	0.804	72%	0.721	S	S	*	*	S	Bend	trans	-121.3	24.5	177	-115.7	-179.7	-176.7	-179.8	0	114.4
693	R	30.4	Very low	32.6	Very low	236 Å²	236	132.4 Å²	132.4	89%	0.891	74%	0.737	S	S	*	*			trans	-115.1	36	-179	-111.3	-176.3	-178.4	176.4	0.6	113.4
694	E	31.2	Very low	32.5	Very low	193 Å²	193	132.5 Å²	132.5	90%	0.902	74%	0.741	S	S	*	*	S	Bend	trans	-143	64.4	166.3	-88	-172.3	162.5	0	0	109.5
695	S	32.1	Very low	32.5	Very low	93 Å²	93	135 Å²	135	65%	0.65	75%	0.748	S	S	*	*	S	Bend	trans	-155.4	20.6	167.6	69.9	0	0	0	0	113.3
696	L	29.5	Very low	32.5	Very low	159 Å²	159	137.8 Å²	137.8	83%	0.832	76%	0.758	S	S	*	*			trans	-142.2	44.2	-174.9	-74.9	172.1	0	0	0	112.5
697	S	31.5	Very low	32.6	Very low	121 Å²	121	140 Å²	140	85%	0.846	77%	0.769	S	S	*	*	S	Bend	trans	-120.2	14.9	173.7	57.3	0	0	0	0	114.6
698	S	33.5	Very low	32.6	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	77%	0.771	S	S	*	*			trans	-129.1	47.8	173.1	62.6	0	0	0	0	112.9
699	L	29.2	Very low	32.8	Very low	169 Å²	169	142.6 Å²	142.6	89%	0.885	78%	0.777	S	S	*	*			trans	-123.3	98	158.3	-100.7	93.3	0	0	0	108.2
700	G	29.4	Very low	33	Very low	79 Å²	79	146 Å²	146	81%	0.814	79%	0.787	S	S	*	*			trans	161.3	53.5	175.9	0	0	0	0	0	116.7
701	S	35.1	Very low	33.2	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	78%	0.777	S	S	*	*			trans	-160.1	98.8	147.1	55.7	0	0	0	0	107.4
702	N	33.6	Very low	33.4	Very low	144 Å²	144	140.5 Å²	140.5	77%	0.77	77%	0.771	S	S	*	*				67.4	105.8	91.9	-83.2	-12.7	0	0	0	114
703	I	34.5	Very low	33.6	Very low	134 Å²	134	137.1 Å²	137.1	69%	0.687	76%	0.762	S	S	*	*				87.2	118.6	124.6	-62.2	168.9	0	0	0	117.1
704	T	35.8	Very low	34.2	Very low	112 Å²	112	133 Å²	133	69%	0.687	76%	0.758	S	S	*	*			trans	89.9	108.3	148	53.5	0	0	0	0	122.1
705	N	33.7	Very low	34.6	Very low	132 Å²	132	136.8 Å²	136.8	71%	0.706	78%	0.775	S	S	*	*				80.6	108.2	121.1	-67.1	13.9	0	0	0	121.2
706	D	33.2	Very low	34.7	Very low	125 Å²	125	139 Å²	139	67%	0.668	78%	0.782	S	S	*	*				83	127.5	118.6	-66.1	-26.4	0	0	0	121.3
707	T	36.2	Very low	35	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	78%	0.779	S	S	*	*			trans	68.4	136.1	144.5	44.7	0	0	0	0	117.6
708	L	34.8	Very low	35.2	Very low	155 Å²	155	138.9 Å²	138.9	81%	0.812	78%	0.775	S	S	*	*			cis	-169.2	163.2	6.7	-103.6	152.2	0	0	0	105.5
709	P	35.2	Very low	35.3	Very low	105 Å²	105	140.5 Å²	140.5	68%	0.682	78%	0.775	S	S	*	*			trans	-95.2	145.3	-176.3	35.7	-28.2	0	0	0	112.2
710	F	36	Very low	35.7	Very low	201 Å²	201	138.8 Å²	138.8	88%	0.882	77%	0.768	S	S	*	*			trans	-165.7	116.3	152	-126.4	-89.2	0	0	0	113.4
711	V	38.1	Very low	36.1	Very low	107 Å²	107	142.7 Å²	142.7	65%	0.648	77%	0.765	S	S	*	*			trans	-3.5	143.2	138.3	178.8	0	0	0	0	120.5
712	Q	37.5	Very low	36.2	Very low	158 Å²	158	145.1 Å²	145.1	74%	0.738	77%	0.765	S	S	*	*			trans	95.7	120.3	145.8	-88.6	173.6	-67.4	0	0	124
713	D	36	Very low	36.4	Very low	115 Å²	115	145.2 Å²	145.2	62%	0.615	77%	0.765	S	S	*	*				88.7	127.7	126.2	-65.9	-11.8	0	0	0	124.3
714	D	41.5	Very low	36.6	Very low	149 Å²	149	146.2 Å²	146.2	80%	0.797	77%	0.772	S	S	*	*			trans	79.6	103.6	142.6	-62	-15.8	0	0	0	121.9
715	E	40.8	Very low	36.6	Very low	273 Å²	273	149.3 Å²	149.3	100%	1.276	78%	0.779	S	S	*	*				-136.7	0	119.4	-122.8	-174.9	-169.9	0	0	110.8

Retrieved 715 of 715 residues in 180.4 ms (Link to these results)

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