A0A077Z839_TRITR Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A077Z839, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 755 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.3	Very low	38.8	Very low	249 Å²	249	124.5 Å²	124.5	100%	1.227	64%	0.642	S	S	*	*				0	98.3	0	-70.3	161.6	178.1	0	0	106.1
2	G	28.5	Very low	39.5	Very low	71 Å²	71	120.5 Å²	120.5	73%	0.732	65%	0.654	S	S	*	*			trans	-125.3	111.1	-178.8	0	0	0	0	0	106.9	G4	G2-G4 PolarHBondContact O-N 3.28Å
3	D	33.7	Very low	40.4	Very low	158 Å²	158	123.9 Å²	123.9	85%	0.845	65%	0.651	S	S	*	*			trans	-66.3	86.2	173.7	-62.4	-37	0	0	0	108.4
4	G	35.9	Very low	41.4	Very low	40 Å²	40	120.6 Å²	120.6	41%	0.412	63%	0.629	S	S	.	*			trans	-108	78.3	-179.6	0	0	0	0	0	109.9	G2	G2-G4 PolarHBondContact O-N 3.28Å
5	F	41.4	Very low	42.3	Very low	161 Å²	161	124.3 Å²	124.3	71%	0.706	65%	0.649	S	S	*	*			trans	-119	83.3	162.5	-78.8	-78.5	0	0	0	109.1	F7 F14	F5-F7 PolarHBondContact O-N 3.12Å; F5-F14 HydrophobicContact CB-CE1 4.08Å
6	T	38.9	Very low	43.7	Very low	39 Å²	39	119.6 Å²	119.6	24%	0.239	62%	0.624	C	S	.	*			trans	-79.5	98.7	163.9	-28.9	0	0	0	0	107	N236 D239	T6-N236 PolarHBondContact OG1-OD1 2.89Å; T6-D239 WeakPolarHBondContact CG2-OD2 3.35Å
7	F	44.9	Very low	45	Very low	77 Å²	77	124.3 Å²	124.3	34%	0.338	64%	0.642	S	S	.	*			trans	-131.9	109.1	164.1	-98.4	-95.4	0	0	0	108.9	F5 L732 A733 A736	F5-F7 PolarHBondContact O-N 3.12Å; F7-L732 HydrophobicContact CE2-CB 4.48Å; F7-L732 HydrophobicContact CZ-CB 3.9Å; F7-A733 VanDerWaalsContact CE1-CA 3.45Å; F7-A733 HydrophobicContact CE1-CB 4.13Å; F7-A733 HydrophobicContact CZ-CB 4.47Å; F7-A736 HydrophobicContact CE1-CB 3.72Å
8	V	40.1	Very low	46.5	Very low	81 Å²	81	121.5 Å²	121.5	49%	0.491	63%	0.628	S	S	.	*			trans	-49.5	138.1	158.4	-169.2	0	0	0	0	107.8
9	Y	41.7	Very low	48	Very low	160 Å²	160	124.1 Å²	124.1	63%	0.627	63%	0.634	S	S	*	*	S	Bend	trans	93.4	86.9	174.2	-48.1	-72	0	0	0	118	L737	Y9-L737 HydrophobicContact CD2-CD2 3.94Å; Y9-L737 HydrophobicContact CE2-CD2 3.95Å
10	R	44.2	Very low	49.5	Very low	208 Å²	208	126.1 Å²	126.1	79%	0.785	64%	0.641	S	S	*	*			trans	79.1	114.3	162.7	-60.3	-176.2	-177	-171.9	-0.7	117.4	G12 R13	R10-G12 PolarHBondContact O-N 2.79Å; R10-R13 PolarHBondContact O-N 3.14Å
11	L	49.6	Very low	50.9	Low	126 Å²	126	124.8 Å²	124.8	66%	0.66	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-45.4	-26.6	167	-103.7	110.7	0	0	0	114.3	R13 F14 F23	L11-R13 PolarHBondContact O-N 3Å; L11-R13 VanDerWaalsContact O-N 3.11Å; L11-F14 WeakPolarHBondContact O-CD2 3.48Å; L11-F23 HydrophobicContact CD2-CZ 4.47Å
12	G	47.5	Very low	53.5	Low	76 Å²	76	117.4 Å²	117.4	78%	0.784	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-74	10.5	-176.9	0	0	0	0	0	116.8	R10	R10-G12 PolarHBondContact O-N 2.79Å
13	R	51.1	Low	56.3	Low	165 Å²	165	117.5 Å²	117.5	62%	0.623	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-118.1	-1.5	177	-70.1	-170.2	-177.9	-171.5	2.9	114.9	R10 L11 N740	R10-R13 PolarHBondContact O-N 3.14Å; L11-R13 PolarHBondContact O-N 3Å; L11-R13 VanDerWaalsContact O-N 3.11Å; R13-N740 VanDerWaalsContact CZ-OD1 3.28Å; R13-N740 PolarHBondContact NH1-ND2 3.03Å; R13-N740 VanDerWaalsContact NH1-ND2 3.18Å; R13-N740 PolarHBondContact NH1-OD1 2.91Å; R13-N740 PolarHBondContact NH2-OD1 3.29Å
14	F	53.9	Low	58.8	Low	78 Å²	78	111.6 Å²	111.6	34%	0.342	55%	0.551	S	S	.	*			trans	-80.4	128.3	175.4	-61.2	-76	0	0	0	109.7	F5 L11 I16	F5-F14 HydrophobicContact CB-CE1 4.08Å; L11-F14 WeakPolarHBondContact O-CD2 3.48Å; F14-I16 VanDerWaalsContact C-N 3.26Å; F14-I16 HydrophobicContact CB-CG1 3.95Å; F14-I16 PolarHBondContact O-N 2.88Å
15	L	54.9	Low	61.3	Low	176 Å²	176	111.6 Å²	111.6	92%	0.921	54%	0.544	S	S	*	.			trans	-71.6	91.1	159.2	-101.2	142.6	0	0	0	106.2	E17	L15-E17 PolarHBondContact O-N 3.44Å
16	I	64	Low	63.6	Low	49 Å²	49	104.1 Å²	104.1	25%	0.251	51%	0.512	S	S	.	.			trans	-82.1	102.8	172.8	-57.7	171.9	0	0	0	105.9	F14 D18 K19 F22	F14-I16 VanDerWaalsContact C-N 3.26Å; F14-I16 HydrophobicContact CB-CG1 3.95Å; F14-I16 PolarHBondContact O-N 2.88Å; I16-D18 WeakPolarHBondContact CG2-O 3.28Å; I16-K19 HydrophobicContact CB-CG 4.46Å; I16-K19 HydrophobicContact CG2-CB 4.47Å; I16-K19 HydrophobicContact CG2-CG 3.95Å; I16-F22 HydrophobicContact CG1-CD2 4.37Å; I16-F22 HydrophobicContact CG1-CE2 4.35Å; I16-F22 HydrophobicContact CG2-CB 3.93Å; I16-F22 HydrophobicContact CG2-CD2 3.92Å; I16-F22 HydrophobicContact CG2-CG 3.97Å
17	E	66.3	Low	66	Low	199 Å²	199	105.8 Å²	105.8	93%	0.93	52%	0.517	S	S	*	.	S	Bend	trans	-60.8	-48.2	179.1	-66.6	-174.9	170.2	0	0	110.7	L15	L15-E17 PolarHBondContact O-N 3.44Å
18	D	71.4	Confident	68.2	Low	74 Å²	74	109.3 Å²	109.3	40%	0.396	53%	0.528	S	S	.	.			trans	-126.1	112.7	178	-176.7	2.4	0	0	0	111	I16 E20 T21 F22	I16-D18 WeakPolarHBondContact CG2-O 3.28Å; D18-E20 VanDerWaalsContact C-N 3.33Å; D18-E20 PolarHBondContact OD1-N 3.36Å; D18-T21 WeakPolarHBondContact OD2-CB 3.47Å; D18-T21 VanDerWaalsContact OD2-CG2 3.27Å; D18-T21 WeakPolarHBondContact OD2-CG2 3.43Å; D18-T21 PolarHBondContact OD2-OG1 2.99Å; D18-F22 WeakPolarHBondContact O-CB 3.47Å; D18-F22 PolarHBondContact O-N 3.01Å
19	K	76.7	Confident	70.7	Confident	171 Å²	171	106.6 Å²	106.6	74%	0.743	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.7	-177	-67.2	178.6	-178	173.6	0	112.8	I16	I16-K19 HydrophobicContact CB-CG 4.46Å; I16-K19 HydrophobicContact CG2-CB 4.47Å; I16-K19 HydrophobicContact CG2-CG 3.95Å
20	E	76.9	Confident	72.8	Confident	164 Å²	164	103 Å²	103	77%	0.766	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-36.9	-173.9	-62.8	-169.8	172.7	0	0	111.6	D18	D18-E20 VanDerWaalsContact C-N 3.33Å; D18-E20 PolarHBondContact OD1-N 3.36Å
21	T	79.5	Confident	74.9	Confident	98 Å²	98	96.9 Å²	96.9	60%	0.601	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-7.7	-177.2	62.7	0	0	0	0	114.3	D18 F23	D18-T21 WeakPolarHBondContact OD2-CB 3.47Å; D18-T21 VanDerWaalsContact OD2-CG2 3.27Å; D18-T21 WeakPolarHBondContact OD2-CG2 3.43Å; D18-T21 PolarHBondContact OD2-OG1 2.99Å; T21-F23 PolarHBondContact O-N 3.38Å
22	F	83.2	Confident	76.9	Confident	94 Å²	94	94.8 Å²	94.8	41%	0.412	47%	0.472	S	S	.	.	S	Bend	trans	-54.5	-45.6	-177.6	-178.7	-103.3	0	0	0	113.8	I16 D18	I16-F22 HydrophobicContact CG1-CD2 4.37Å; I16-F22 HydrophobicContact CG1-CE2 4.35Å; I16-F22 HydrophobicContact CG2-CB 3.93Å; I16-F22 HydrophobicContact CG2-CD2 3.92Å; I16-F22 HydrophobicContact CG2-CG 3.97Å; D18-F22 WeakPolarHBondContact O-CB 3.47Å; D18-F22 PolarHBondContact O-N 3.01Å
23	F	85.9	Confident	78.8	Confident	73 Å²	73	93.7 Å²	93.7	32%	0.32	45%	0.445	S	S	.	.	S	Bend	trans	-94.7	125	177.6	-68.9	-67.9	0	0	0	111.1	L11 T21 Q27 R28 M31	L11-F23 HydrophobicContact CD2-CZ 4.47Å; T21-F23 PolarHBondContact O-N 3.38Å; F23-Q27 HydrophobicContact CD1-CB 4.43Å; F23-R28 HydrophobicContact CB-CG 3.74Å; F23-M31 HydrophobicContact CB-CE 4.08Å; F23-M31 HydrophobicContact CD1-CE 3.64Å; F23-M31 HydrophobicContact CD1-SD 4.42Å; F23-M31 HydrophobicContact CD2-CE 4.04Å; F23-M31 HydrophobicContact CE1-CE 3.99Å; F23-M31 HydrophobicContact CE1-SD 4.21Å; F23-M31 HydrophobicContact CE2-CE 4.36Å; F23-M31 HydrophobicContact CG-CE 3.66Å; F23-M31 HydrophobicContact CZ-CE 4.33Å; F23-M31 HydrophobicContact CZ-SD 4.43Å
24	T	87.3	Confident	80.2	Confident	35 Å²	35	88.4 Å²	88.4	22%	0.215	43%	0.43	C	S	.	.			trans	-65.6	154.6	175.9	73.7	0	0	0	0	111.2	A26 Q27 R28 R118	T24-A26 PolarHBondContact O-N 2.9Å; T24-A26 VanDerWaalsContact O-N 3.13Å; T24-Q27 PolarHBondContact O-N 3.37Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.37Å; T24-Q27 PolarHBondContact OG1-N 2.93Å; T24-R28 WeakPolarHBondContact O-CG 3.43Å; T24-R28 PolarHBondContact O-N 3.14Å; T24-R118 HydrophobicContact CG2-CG 4.12Å
25	S	88.3	Confident	81.8	Confident	40 Å²	40	89.7 Å²	89.7	28%	0.28	44%	0.439	S	S	.	.	H	α-helix	trans	-50.6	-38.3	174.7	177.6	0	0	0	0	112.3	S29 R549	S25-S29 WeakPolarHBondContact O-CB 3.2Å; S25-S29 PolarHBondContact O-N 3.06Å; S25-S29 PolarHBondContact O-OG 3.46Å; S25-R549 PolarHBondContact OG-NH1 3.32Å; S25-R549 PolarHBondContact OG-NH2 3.27Å
26	A	89.1	Confident	83.4	Confident	4 Å²	4	84.6 Å²	84.6	3%	0.033	41%	0.413	C	S	.	.	H	α-helix	trans	-66	-44.7	175.1	0	0	0	0	0	113.1	T24 S29 R30 R118 P552	T24-A26 PolarHBondContact O-N 2.9Å; T24-A26 VanDerWaalsContact O-N 3.13Å; A26-S29 PolarHBondContact O-N 3.22Å; A26-R30 PolarHBondContact O-N 3.44Å; A26-R118 VanDerWaalsContact CB-O 3.22Å; A26-R118 WeakPolarHBondContact CB-O 3.38Å; A26-P552 HydrophobicContact CB-CB 3.99Å; A26-P552 HydrophobicContact CB-CG 3.62Å; A26-P552 WeakPolarHBondContact O-CG 3.48Å
27	Q	89.4	Confident	84	Confident	73 Å²	73	83.3 Å²	83.3	34%	0.341	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-41.6	176.9	-71.4	169.7	-19.6	0	0	111.7	F23 T24 R30 M31	F23-Q27 HydrophobicContact CD1-CB 4.43Å; T24-Q27 PolarHBondContact O-N 3.37Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.37Å; T24-Q27 PolarHBondContact OG1-N 2.93Å; Q27-R30 PolarHBondContact O-N 2.54Å; Q27-M31 WeakPolarHBondContact O-CG 3.42Å; Q27-M31 PolarHBondContact O-N 2.96Å
28	R	92.2	Very high	84.5	Confident	151 Å²	151	81 Å²	81	57%	0.57	39%	0.392	S	S	*	.	H	α-helix	trans	-60	-47.7	175.5	-66.4	177.3	74.7	174.2	1.9	111.2	F23 T24 R30 M31 V32	F23-R28 HydrophobicContact CB-CG 3.74Å; T24-R28 WeakPolarHBondContact O-CG 3.43Å; T24-R28 PolarHBondContact O-N 3.14Å; R28-R30 VanDerWaalsContact C-N 3.31Å; R28-R30 PolarHBondContact O-N 2.91Å; R28-M31 HydrophobicContact CG-CE 4.3Å; R28-M31 PolarHBondContact O-N 2.92Å; R28-V32 WeakPolarHBondContact O-CG2 3.39Å; R28-V32 PolarHBondContact O-N 2.92Å
29	S	91.1	Very high	85.1	Confident	25 Å²	25	80.8 Å²	80.8	18%	0.175	39%	0.393	C	S	.	.	H	α-helix	trans	-58.5	-42.7	177.2	-61	0	0	0	0	112.3	S25 A26 F33	S25-S29 WeakPolarHBondContact O-CB 3.2Å; S25-S29 PolarHBondContact O-N 3.06Å; S25-S29 PolarHBondContact O-OG 3.46Å; A26-S29 PolarHBondContact O-N 3.22Å; S29-F33 WeakPolarHBondContact O-CB 3.42Å; S29-F33 PolarHBondContact O-N 3.36Å
30	R	86.2	Confident	85.4	Confident	84 Å²	84	77.8 Å²	77.8	32%	0.317	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-46.8	175.2	-179.9	-172.8	175.8	132.9	-5	112.3	A26 Q27 R28 V32 F33 D34	A26-R30 PolarHBondContact O-N 3.44Å; Q27-R30 PolarHBondContact O-N 2.54Å; R28-R30 VanDerWaalsContact C-N 3.31Å; R28-R30 PolarHBondContact O-N 2.91Å; R30-V32 VanDerWaalsContact C-N 3.35Å; R30-V32 PolarHBondContact O-N 3.02Å; R30-F33 PolarHBondContact O-N 3.05Å; R30-D34 PolarHBondContact O-N 3.35Å
31	M	88.5	Confident	85.7	Confident	79 Å²	79	74.5 Å²	74.5	39%	0.389	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-43.8	179.6	-72.2	-175.1	-69.8	0	0	111.4	F23 Q27 R28 F33 D34 I35	F23-M31 HydrophobicContact CB-CE 4.08Å; F23-M31 HydrophobicContact CD1-CE 3.64Å; F23-M31 HydrophobicContact CD1-SD 4.42Å; F23-M31 HydrophobicContact CD2-CE 4.04Å; F23-M31 HydrophobicContact CE1-CE 3.99Å; F23-M31 HydrophobicContact CE1-SD 4.21Å; F23-M31 HydrophobicContact CE2-CE 4.36Å; F23-M31 HydrophobicContact CG-CE 3.66Å; F23-M31 HydrophobicContact CZ-CE 4.33Å; F23-M31 HydrophobicContact CZ-SD 4.43Å; Q27-M31 WeakPolarHBondContact O-CG 3.42Å; Q27-M31 PolarHBondContact O-N 2.96Å; R28-M31 HydrophobicContact CG-CE 4.3Å; R28-M31 PolarHBondContact O-N 2.92Å; M31-F33 PolarHBondContact O-N 3.3Å; M31-D34 PolarHBondContact O-N 3.32Å; M31-I35 WeakPolarHBondContact O-CG1 3.32Å; M31-I35 PolarHBondContact O-N 2.79Å; M31-I35 VanDerWaalsContact O-N 3.11Å
32	V	92.5	Very high	85.7	Confident	82 Å²	82	72 Å²	72	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-43.3	176.1	172.8	0	0	0	0	111.1	R28 R30 D34 I35 L36	R28-V32 WeakPolarHBondContact O-CG2 3.39Å; R28-V32 PolarHBondContact O-N 2.92Å; R30-V32 VanDerWaalsContact C-N 3.35Å; R30-V32 PolarHBondContact O-N 3.02Å; V32-D34 PolarHBondContact O-N 3.46Å; V32-I35 WeakPolarHBondContact O-CB 3.31Å; V32-I35 PolarHBondContact O-N 2.66Å; V32-L36 HydrophobicContact CG1-CD1 3.99Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 2.67Å
33	F	86.2	Confident	85.2	Confident	53 Å²	53	73.9 Å²	73.9	23%	0.232	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-40.6	177.6	-174.6	-89.5	0	0	0	112.6	S29 R30 M31 I35 L36 A37 I51 L52 L551	S29-F33 WeakPolarHBondContact O-CB 3.42Å; S29-F33 PolarHBondContact O-N 3.36Å; R30-F33 PolarHBondContact O-N 3.05Å; M31-F33 PolarHBondContact O-N 3.3Å; F33-I35 VanDerWaalsContact C-N 3.28Å; F33-I35 PolarHBondContact O-N 3.17Å; F33-L36 PolarHBondContact O-N 3.33Å; F33-A37 HydrophobicContact CD1-CB 4.44Å; F33-A37 HydrophobicContact CE1-CB 4.26Å; F33-A37 VanDerWaalsContact O-CB 3.3Å; F33-A37 WeakPolarHBondContact O-CB 3.36Å; F33-A37 PolarHBondContact O-N 3.46Å; F33-I51 HydrophobicContact CE2-CG2 4.35Å; F33-L52 HydrophobicContact CZ-CD2 4.34Å; F33-L551 HydrophobicContact CB-CD1 3.55Å; F33-L551 HydrophobicContact CB-CD2 3.98Å; F33-L551 HydrophobicContact CB-CG 4.41Å; F33-L551 HydrophobicContact CD1-CD1 4.42Å; F33-L551 HydrophobicContact CD1-CD2 3.22Å; F33-L551 HydrophobicContact CD1-CG 4.43Å; F33-L551 HydrophobicContact CD2-CD1 4.06Å; F33-L551 HydrophobicContact CD2-CD2 3.79Å; F33-L551 HydrophobicContact CE1-CD2 3.48Å; F33-L551 VanDerWaalsContact CE1-CD2 3.48Å; F33-L551 HydrophobicContact CE2-CD2 4.03Å; F33-L551 HydrophobicContact CG-CD1 3.76Å; F33-L551 HydrophobicContact CG-CD2 3.36Å; F33-L551 HydrophobicContact CG-CG 4.21Å; F33-L551 HydrophobicContact CZ-CD2 3.88Å
34	D	81.4	Confident	84.4	Confident	54 Å²	54	79 Å²	79	29%	0.289	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-37.9	176.8	-168.4	53.3	0	0	0	111.5	R30 M31 V32 R38	R30-D34 PolarHBondContact O-N 3.35Å; M31-D34 PolarHBondContact O-N 3.32Å; V32-D34 PolarHBondContact O-N 3.46Å; D34-R38 WeakPolarHBondContact O-CB 3.39Å; D34-R38 VanDerWaalsContact O-CG 3.26Å; D34-R38 WeakPolarHBondContact O-CG 3.39Å; D34-R38 PolarHBondContact O-N 2.99Å; D34-R38 IonicContact OD1-CZ 3.16Å; D34-R38 IonicContact OD1-NE 3.51Å; D34-R38 PolarHBondContact OD1-NE 3.37Å; D34-R38 IonicContact OD1-NH2 3.96Å; D34-R38 PolarHBondContact OD1-NH2 3.44Å; D34-R38 VanDerWaalsContact OD1-NH2 3.14Å; D34-R38 IonicContact OD2-CZ 3.77Å; D34-R38 IonicContact OD2-NE 3.47Å; D34-R38 PolarHBondContact OD2-NE 2.94Å; D34-R38 IonicContact OD2-NH1 2.89Å; D34-R38 PolarHBondContact OD2-NH1 3.49Å; D34-R38 IonicContact OD2-NH2 2.72Å; D34-R38 PolarHBondContact OD2-NH2 2.85Å
35	I	87.9	Confident	83.4	Confident	105 Å²	105	84.6 Å²	84.6	54%	0.538	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-53.6	171.1	-64.5	164.9	0	0	0	110.1	M31 V32 F33 A37 R38 T39	M31-I35 WeakPolarHBondContact O-CG1 3.32Å; M31-I35 PolarHBondContact O-N 2.79Å; M31-I35 VanDerWaalsContact O-N 3.11Å; V32-I35 WeakPolarHBondContact O-CB 3.31Å; V32-I35 PolarHBondContact O-N 2.66Å; F33-I35 VanDerWaalsContact C-N 3.28Å; F33-I35 PolarHBondContact O-N 3.17Å; I35-A37 PolarHBondContact O-N 2.91Å; I35-R38 PolarHBondContact O-N 2.96Å; I35-R38 VanDerWaalsContact O-N 3.09Å; I35-T39 HydrophobicContact CG2-CG2 3.94Å; I35-T39 VanDerWaalsContact O-CG2 3.24Å; I35-T39 WeakPolarHBondContact O-CG2 3.33Å; I35-T39 PolarHBondContact O-N 2.97Å; I35-T39 PolarHBondContact O-OG1 3.37Å
36	L	87.6	Confident	82.2	Confident	70 Å²	70	92.9 Å²	92.9	37%	0.366	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-31.3	-179	-69.9	173.4	0	0	0	113.4	V32 F33 T39 G50 I51	V32-L36 HydrophobicContact CG1-CD1 3.99Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 2.67Å; F33-L36 PolarHBondContact O-N 3.33Å; L36-T39 PolarHBondContact O-OG1 2.82Å; L36-G50 CarbonylContact O-C 3.45Å; L36-G50 WeakPolarHBondContact O-CA 3.27Å; L36-I51 HydrophobicContact CB-CB 4.16Å; L36-I51 HydrophobicContact CB-CD1 4.33Å; L36-I51 HydrophobicContact CB-CG2 3.99Å; L36-I51 HydrophobicContact CD1-CD1 4.01Å; L36-I51 PolarHBondContact O-N 2.69Å
37	A	77.5	Confident	81	Confident	22 Å²	22	95.5 Å²	95.5	18%	0.182	45%	0.45	C	S	.	.	H	α-helix	trans	-74.7	-29	177.8	0	0	0	0	0	112.5	F33 I35 G50	F33-A37 HydrophobicContact CD1-CB 4.44Å; F33-A37 HydrophobicContact CE1-CB 4.26Å; F33-A37 VanDerWaalsContact O-CB 3.3Å; F33-A37 WeakPolarHBondContact O-CB 3.36Å; F33-A37 PolarHBondContact O-N 3.46Å; I35-A37 PolarHBondContact O-N 2.91Å; A37-G50 WeakPolarHBondContact O-CA 3.27Å
38	R	76.1	Confident	80	Confident	151 Å²	151	92.7 Å²	92.7	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-98.8	-18.5	-176.2	-66.1	174.3	-173.4	-165	-2.2	114.2	D34 I35 E40	D34-R38 WeakPolarHBondContact O-CB 3.39Å; D34-R38 VanDerWaalsContact O-CG 3.26Å; D34-R38 WeakPolarHBondContact O-CG 3.39Å; D34-R38 PolarHBondContact O-N 2.99Å; D34-R38 IonicContact OD1-CZ 3.16Å; D34-R38 IonicContact OD1-NE 3.51Å; D34-R38 PolarHBondContact OD1-NE 3.37Å; D34-R38 IonicContact OD1-NH2 3.96Å; D34-R38 PolarHBondContact OD1-NH2 3.44Å; D34-R38 VanDerWaalsContact OD1-NH2 3.14Å; D34-R38 IonicContact OD2-CZ 3.77Å; D34-R38 IonicContact OD2-NE 3.47Å; D34-R38 PolarHBondContact OD2-NE 2.94Å; D34-R38 IonicContact OD2-NH1 2.89Å; D34-R38 PolarHBondContact OD2-NH1 3.49Å; D34-R38 IonicContact OD2-NH2 2.72Å; D34-R38 PolarHBondContact OD2-NH2 2.85Å; I35-R38 PolarHBondContact O-N 2.96Å; I35-R38 VanDerWaalsContact O-N 3.09Å; R38-E40 PolarHBondContact O-N 2.94Å
39	T	84.3	Confident	79.1	Confident	68 Å²	68	86.4 Å²	86.4	42%	0.417	42%	0.416	S	S	.	.			trans	-63.1	127.1	-179.8	44.3	0	0	0	0	112	I35 L36 G50	I35-T39 HydrophobicContact CG2-CG2 3.94Å; I35-T39 VanDerWaalsContact O-CG2 3.24Å; I35-T39 WeakPolarHBondContact O-CG2 3.33Å; I35-T39 PolarHBondContact O-N 2.97Å; I35-T39 PolarHBondContact O-OG1 3.37Å; L36-T39 PolarHBondContact O-OG1 2.82Å; T39-G50 PolarHBondContact O-N 3.27Å
40	E	82.5	Confident	78.5	Confident	109 Å²	109	85.4 Å²	85.4	51%	0.509	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-76.3	136.7	171	-62	178.6	177.2	0	0	110.1	R38 C49	R38-E40 PolarHBondContact O-N 2.94Å; E40-C49 HydrophobicContact CG-CB 4.1Å
41	F	84.1	Confident	78.3	Confident	94 Å²	94	82.2 Å²	82.2	41%	0.412	40%	0.399	S	S	.	.	S	Bend	trans	-106.6	-13.2	174.3	59.3	-98.8	0	0	0	113.2	D48 R53 L54	F41-D48 WeakPolarHBondContact CD1-O 3.44Å; F41-D48 HydrophobicContact CD2-CB 4.12Å; F41-D48 HydrophobicContact CE1-CB 4.28Å; F41-D48 WeakPolarHBondContact CE1-O 3.24Å; F41-D48 HydrophobicContact CE2-CB 3.51Å; F41-D48 WeakPolarHBondContact CG-O 3.18Å; F41-D48 HydrophobicContact CZ-CB 3.59Å; F41-D48 PolarHBondContact N-O 3.26Å; F41-R53 HydrophobicContact CE1-CB 4.38Å; F41-R53 HydrophobicContact CZ-CG 4.35Å; F41-L54 HydrophobicContact CD1-CD1 4.31Å; F41-L54 HydrophobicContact CD1-CD2 4.16Å; F41-L54 HydrophobicContact CD1-CG 4.19Å; F41-L54 HydrophobicContact CE1-CD2 4.04Å; F41-L54 HydrophobicContact CE1-CG 4.15Å; F41-L54 HydrophobicContact CE2-CD2 4.38Å; F41-L54 HydrophobicContact CG-CD2 4.41Å; F41-L54 HydrophobicContact CZ-CD2 4.16Å
42	D	77.6	Confident	77.6	Confident	47 Å²	47	79.2 Å²	79.2	25%	0.251	39%	0.385	S	S	.	.			trans	-131.1	117.6	168.5	-176.9	-0.2	0	0	0	110.5	Q44 R45 D48	D42-Q44 PolarHBondContact O-N 3.42Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.47Å; D42-Q44 PolarHBondContact OD1-N 2.95Å; D42-R45 CarbonylContact O-C 3.59Å; D42-R45 PolarHBondContact O-N 2.92Å; D42-D48 HydrophobicContact CB-CB 3.88Å
43	V	73.2	Confident	76.7	Confident	132 Å²	132	79.1 Å²	79.1	80%	0.8	38%	0.375	S	S	*	.	S	Bend	trans	-67.8	-26.4	-179.2	-176	0	0	0	0	111.7
44	Q	69.1	Low	76.6	Confident	181 Å²	181	78.3 Å²	78.3	85%	0.846	37%	0.373	S	S	*	.	S	Bend	trans	-81.3	-26.4	-176.8	-62.1	-173.3	-3.1	0	0	112.5	D42	D42-Q44 PolarHBondContact O-N 3.42Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.47Å; D42-Q44 PolarHBondContact OD1-N 2.95Å
45	R	66.1	Low	76.4	Confident	153 Å²	153	76 Å²	76	58%	0.577	36%	0.361	S	S	*	.			trans	-119.5	98.2	178.3	-69.2	-172	-170.5	141.3	3.6	109.9	D42 T47 D48	D42-R45 CarbonylContact O-C 3.59Å; D42-R45 PolarHBondContact O-N 2.92Å; R45-T47 PolarHBondContact O-N 3.47Å; R45-D48 HydrophobicContact CB-CB 4.12Å; R45-D48 IonicContact NH1-OD2 3.97Å; R45-D48 WeakPolarHBondContact O-CB 3.38Å; R45-D48 PolarHBondContact O-N 3.31Å
46	R	63.1	Low	75.6	Confident	213 Å²	213	73.9 Å²	73.9	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.4	172.6	-74.4	-170.4	177.8	-179.4	-0.7	114.5	D48	R46-D48 PolarHBondContact O-N 2.87Å
47	T	63.5	Low	75.2	Confident	60 Å²	60	74.3 Å²	74.3	37%	0.368	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.7	174.4	51	0	0	0	0	113	R45 C49 R53	R45-T47 PolarHBondContact O-N 3.47Å; T47-C49 VanDerWaalsContact C-N 3.3Å; T47-C49 PolarHBondContact O-N 3.1Å; T47-C49 VanDerWaalsContact O-N 3.12Å; T47-R53 PolarHBondContact O-NH1 3.13Å
48	D	69.3	Low	75.3	Confident	13 Å²	13	74.7 Å²	74.7	7%	0.07	37%	0.365	C	S	.	.			trans	-93.8	65.4	-168.6	-70.5	23.6	0	0	0	109.2	F41 D42 R45 R46 R53	F41-D48 WeakPolarHBondContact CD1-O 3.44Å; F41-D48 HydrophobicContact CD2-CB 4.12Å; F41-D48 HydrophobicContact CE1-CB 4.28Å; F41-D48 WeakPolarHBondContact CE1-O 3.24Å; F41-D48 HydrophobicContact CE2-CB 3.51Å; F41-D48 WeakPolarHBondContact CG-O 3.18Å; F41-D48 HydrophobicContact CZ-CB 3.59Å; F41-D48 PolarHBondContact N-O 3.26Å; D42-D48 HydrophobicContact CB-CB 3.88Å; R45-D48 HydrophobicContact CB-CB 4.12Å; R45-D48 IonicContact NH1-OD2 3.97Å; R45-D48 WeakPolarHBondContact O-CB 3.38Å; R45-D48 PolarHBondContact O-N 3.31Å; R46-D48 PolarHBondContact O-N 2.87Å; D48-R53 IonicContact OD1-CZ 3.04Å; D48-R53 IonicContact OD1-NH1 2.67Å; D48-R53 PolarHBondContact OD1-NH1 3.37Å; D48-R53 IonicContact OD1-NH2 2.79Å; D48-R53 PolarHBondContact OD1-NH2 2.94Å; D48-R53 IonicContact OD2-NH2 3.6Å
49	C	74	Confident	75.9	Confident	19 Å²	19	72.1 Å²	72.1	13%	0.128	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-121.1	153.1	179.7	67.2	0	0	0	0	112.7	E40 T47	E40-C49 HydrophobicContact CG-CB 4.1Å; T47-C49 VanDerWaalsContact C-N 3.3Å; T47-C49 PolarHBondContact O-N 3.1Å; T47-C49 VanDerWaalsContact O-N 3.12Å
50	G	78.6	Confident	76	Confident	5 Å²	5	74.9 Å²	74.9	5%	0.052	37%	0.37	C	S	.	.			trans	84.5	144.9	165	0	0	0	0	0	116.8	L36 A37 T39 L52 R53	L36-G50 CarbonylContact O-C 3.45Å; L36-G50 WeakPolarHBondContact O-CA 3.27Å; A37-G50 WeakPolarHBondContact O-CA 3.27Å; T39-G50 PolarHBondContact O-N 3.27Å; G50-L52 PolarHBondContact O-N 3.16Å; G50-R53 PolarHBondContact O-N 3.35Å
51	I	81.3	Confident	76	Confident	17 Å²	17	74.5 Å²	74.5	9%	0.087	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-31.3	176.7	-167.9	163.7	0	0	0	113.2	F33 L36 R53 L54 L55 Y60 A63	F33-I51 HydrophobicContact CE2-CG2 4.35Å; L36-I51 HydrophobicContact CB-CB 4.16Å; L36-I51 HydrophobicContact CB-CD1 4.33Å; L36-I51 HydrophobicContact CB-CG2 3.99Å; L36-I51 HydrophobicContact CD1-CD1 4.01Å; L36-I51 PolarHBondContact O-N 2.69Å; I51-R53 VanDerWaalsContact C-N 3.27Å; I51-R53 PolarHBondContact O-N 3.45Å; I51-L54 WeakPolarHBondContact O-CB 3.36Å; I51-L54 PolarHBondContact O-N 3.26Å; I51-L54 VanDerWaalsContact O-N 3.1Å; I51-L55 HydrophobicContact CG1-CD1 4.04Å; I51-L55 HydrophobicContact CG1-CG 4.37Å; I51-L55 WeakPolarHBondContact O-CG 3.35Å; I51-L55 PolarHBondContact O-N 3.3Å; I51-Y60 HydrophobicContact CG1-CD2 4.28Å; I51-A63 HydrophobicContact CD1-CB 3.55Å; I51-A63 HydrophobicContact CG1-CB 4.24Å
52	L	73.8	Confident	75.9	Confident	15 Å²	15	71.2 Å²	71.2	8%	0.079	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-34.4	-179.7	-68	172.6	0	0	0	112.1	F33 G50 L55 N56 P249	F33-L52 HydrophobicContact CZ-CD2 4.34Å; G50-L52 PolarHBondContact O-N 3.16Å; L52-L55 HydrophobicContact CD2-CD1 4.5Å; L52-L55 PolarHBondContact O-N 2.81Å; L52-N56 WeakPolarHBondContact O-CB 3.41Å; L52-N56 VanDerWaalsContact O-CG 3.28Å; L52-N56 PolarHBondContact O-N 3.12Å; L52-N56 PolarHBondContact O-ND2 2.85Å; L52-P249 HydrophobicContact CD1-CG 3.9Å
53	R	73.9	Confident	76.2	Confident	81 Å²	81	70.3 Å²	70.3	31%	0.306	37%	0.368	S	S	.	.	H	α-helix	trans	-72.1	-35.9	175.9	-173.4	167	176.4	-176.4	-16	111.7	F41 T47 D48 G50 I51 L55 N56 S57	F41-R53 HydrophobicContact CE1-CB 4.38Å; F41-R53 HydrophobicContact CZ-CG 4.35Å; T47-R53 PolarHBondContact O-NH1 3.13Å; D48-R53 IonicContact OD1-CZ 3.04Å; D48-R53 IonicContact OD1-NH1 2.67Å; D48-R53 PolarHBondContact OD1-NH1 3.37Å; D48-R53 IonicContact OD1-NH2 2.79Å; D48-R53 PolarHBondContact OD1-NH2 2.94Å; D48-R53 IonicContact OD2-NH2 3.6Å; G50-R53 PolarHBondContact O-N 3.35Å; I51-R53 VanDerWaalsContact C-N 3.27Å; I51-R53 PolarHBondContact O-N 3.45Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-N56 PolarHBondContact O-N 3.49Å; R53-S57 WeakPolarHBondContact O-CB 3.5Å; R53-S57 PolarHBondContact O-N 3.42Å; R53-S57 PolarHBondContact O-OG 3.46Å
54	L	82.5	Confident	76.8	Confident	35 Å²	35	66.6 Å²	66.6	18%	0.183	34%	0.34	C	S	.	.	H	α-helix	trans	-68.2	-33.2	174.8	-63	176.2	0	0	0	112.1	F41 I51 S57 G58 T59 Y60	F41-L54 HydrophobicContact CD1-CD1 4.31Å; F41-L54 HydrophobicContact CD1-CD2 4.16Å; F41-L54 HydrophobicContact CD1-CG 4.19Å; F41-L54 HydrophobicContact CE1-CD2 4.04Å; F41-L54 HydrophobicContact CE1-CG 4.15Å; F41-L54 HydrophobicContact CE2-CD2 4.38Å; F41-L54 HydrophobicContact CG-CD2 4.41Å; F41-L54 HydrophobicContact CZ-CD2 4.16Å; I51-L54 WeakPolarHBondContact O-CB 3.36Å; I51-L54 PolarHBondContact O-N 3.26Å; I51-L54 VanDerWaalsContact O-N 3.1Å; L54-S57 WeakPolarHBondContact CA-OG 3.28Å; L54-S57 PolarHBondContact O-OG 2.9Å; L54-G58 PolarHBondContact O-N 2.88Å; L54-T59 HydrophobicContact CD2-CG2 4.42Å; L54-T59 WeakPolarHBondContact O-CB 3.27Å; L54-T59 PolarHBondContact O-N 3.4Å; L54-Y60 HydrophobicContact CB-CD2 3.7Å; L54-Y60 HydrophobicContact CB-CE2 4.26Å; L54-Y60 HydrophobicContact CD1-CD2 4.02Å; L54-Y60 HydrophobicContact CD1-CE2 3.69Å; L54-Y60 PolarHBondContact O-N 2.77Å; L54-Y60 VanDerWaalsContact O-N 3.14Å
55	L	78.9	Confident	77.8	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-70.3	-46.5	172.3	-69.3	161.6	0	0	0	111.4	I51 L52 R53 S57 G58 A63 E495	I51-L55 HydrophobicContact CG1-CD1 4.04Å; I51-L55 HydrophobicContact CG1-CG 4.37Å; I51-L55 WeakPolarHBondContact O-CG 3.35Å; I51-L55 PolarHBondContact O-N 3.3Å; L52-L55 HydrophobicContact CD2-CD1 4.5Å; L52-L55 PolarHBondContact O-N 2.81Å; R53-L55 VanDerWaalsContact C-N 3.33Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.44Å; L55-G58 WeakPolarHBondContact O-CA 3.37Å; L55-G58 PolarHBondContact O-N 3.29Å; L55-A63 HydrophobicContact CD1-CB 3.83Å; L55-A63 HydrophobicContact CD2-CB 4.42Å; L55-E495 VanDerWaalsContact CD1-OE2 3.27Å; L55-E495 WeakPolarHBondContact CD1-OE2 3.39Å
56	N	70.3	Confident	79	Confident	60 Å²	60	55.6 Å²	55.6	32%	0.321	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-32.4	179.4	-78.2	-18.1	0	0	0	113.7	L52 R53 G58 K492 R493	L52-N56 WeakPolarHBondContact O-CB 3.41Å; L52-N56 VanDerWaalsContact O-CG 3.28Å; L52-N56 PolarHBondContact O-N 3.12Å; L52-N56 PolarHBondContact O-ND2 2.85Å; R53-N56 PolarHBondContact O-N 3.49Å; N56-G58 PolarHBondContact O-N 3.09Å; N56-K492 PolarHBondContact OD1-O 2.87Å; N56-R493 PolarHBondContact OD1-O 3.37Å
57	S	78.6	Confident	80.3	Confident	78 Å²	78	46.2 Å²	46.2	55%	0.545	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.1	172.6	58.5	0	0	0	0	113.1	R53 L54 L55 T59	R53-S57 WeakPolarHBondContact O-CB 3.5Å; R53-S57 PolarHBondContact O-N 3.42Å; R53-S57 PolarHBondContact O-OG 3.46Å; L54-S57 WeakPolarHBondContact CA-OG 3.28Å; L54-S57 PolarHBondContact O-OG 2.9Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.44Å; S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact OG-OG1 3.44Å
58	G	80.3	Confident	81.2	Confident	30 Å²	30	47.1 Å²	47.1	31%	0.309	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	13.3	-175.8	0	0	0	0	0	114.3	L54 L55 N56	L54-G58 PolarHBondContact O-N 2.88Å; L55-G58 WeakPolarHBondContact O-CA 3.37Å; L55-G58 PolarHBondContact O-N 3.29Å; N56-G58 PolarHBondContact O-N 3.09Å
59	T	88.3	Confident	81.8	Confident	97 Å²	97	50 Å²	50	60%	0.595	28%	0.282	S	S	*	.	S	Bend	trans	-68.5	-45	175.9	-53.6	0	0	0	0	110.2	L54 S57	L54-T59 HydrophobicContact CD2-CG2 4.42Å; L54-T59 WeakPolarHBondContact O-CB 3.27Å; L54-T59 PolarHBondContact O-N 3.4Å; S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact OG-OG1 3.44Å
60	Y	87.3	Confident	82.2	Confident	127 Å²	127	53.3 Å²	53.3	50%	0.498	30%	0.295	S	S	.	.	S	Bend	trans	-101.1	147.2	166.9	-74	-50.6	0	0	0	110.8	I51 L54	I51-Y60 HydrophobicContact CG1-CD2 4.28Å; L54-Y60 HydrophobicContact CB-CD2 3.7Å; L54-Y60 HydrophobicContact CB-CE2 4.26Å; L54-Y60 HydrophobicContact CD1-CD2 4.02Å; L54-Y60 HydrophobicContact CD1-CE2 3.69Å; L54-Y60 PolarHBondContact O-N 2.77Å; L54-Y60 VanDerWaalsContact O-N 3.14Å
61	C	81.2	Confident	82.3	Confident	100 Å²	100	54.7 Å²	54.7	68%	0.676	30%	0.299	S	S	*	.	S	Bend	trans	-85.6	-35.7	179	-69.6	0	0	0	0	113.1
62	A	81.9	Confident	82.2	Confident	25 Å²	25	58.4 Å²	58.4	21%	0.207	32%	0.316	C	S	.	.			trans	-163.9	152.3	179.9	0	0	0	0	0	110.3	Y64 F473	A62-Y64 HydrophobicContact CB-CD1 3.94Å; A62-Y64 HydrophobicContact CB-CE1 4Å; A62-F473 HydrophobicContact CB-CE2 4.11Å
63	A	85.2	Confident	81.9	Confident	28 Å²	28	60.1 Å²	60.1	23%	0.231	33%	0.325	C	S	.	.			trans	-132.6	125	166.8	0	0	0	0	0	109.5	I51 L55	I51-A63 HydrophobicContact CD1-CB 3.55Å; I51-A63 HydrophobicContact CG1-CB 4.24Å; L55-A63 HydrophobicContact CD1-CB 3.83Å; L55-A63 HydrophobicContact CD2-CB 4.42Å
64	Y	86.1	Confident	81.3	Confident	54 Å²	54	61.4 Å²	61.4	21%	0.212	34%	0.337	C	S	.	.			trans	-155.8	150.1	-176.2	54.6	-82.6	0	0	0	111	A62 L66 W469 D472 F473	A62-Y64 HydrophobicContact CB-CD1 3.94Å; A62-Y64 HydrophobicContact CB-CE1 4Å; Y64-L66 HydrophobicContact CD2-CD2 4.44Å; Y64-L66 HydrophobicContact CE2-CD2 3.88Å; Y64-W469 PolarHBondContact OH-O 2.98Å; Y64-W469 VanDerWaalsContact OH-O 3.06Å; Y64-D472 HydrophobicContact CE2-CB 3.97Å; Y64-F473 AromaticContact CE1-CD2 3.89Å; Y64-F473 HydrophobicContact CE1-CD2 3.89Å; Y64-F473 WeakPolarHBondContact OH-CA 3.3Å; Y64-F473 WeakPolarHBondContact OH-CB 3.39Å
65	P	89.7	Confident	79.9	Confident	18 Å²	18	64.4 Å²	64.4	12%	0.117	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-72.4	147.3	169.9	30.6	-32.7	0	0	0	110.7	R549	P65-R549 WeakPolarHBondContact CD-O 3.48Å; P65-R549 HydrophobicContact CG-CB 4.11Å; P65-R549 HydrophobicContact CG-CG 4.15Å; P65-R549 VanDerWaalsContact CG-O 3.27Å; P65-R549 WeakPolarHBondContact CG-O 3.48Å
66	L	90.7	Very high	78.6	Confident	86 Å²	86	68.5 Å²	68.5	45%	0.45	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-79.4	148.1	176.1	-61.1	178.2	0	0	0	111.4	Y64 W469 D472 R549	Y64-L66 HydrophobicContact CD2-CD2 4.44Å; Y64-L66 HydrophobicContact CE2-CD2 3.88Å; L66-W469 HydrophobicContact CD1-CB 4.24Å; L66-W469 HydrophobicContact CD2-CB 3.66Å; L66-D472 HydrophobicContact CD2-CB 4.49Å; L66-R549 VanDerWaalsContact O-CD 3.22Å; L66-R549 WeakPolarHBondContact O-CD 3.26Å; L66-R549 PolarHBondContact O-NH1 3.37Å
67	H	90	Very high	77.8	Confident	15 Å²	15	68.8 Å²	68.8	7%	0.069	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-70.6	153.4	159.4	-71.6	-79.9	0	0	0	110	R94 Y119 D472 Y547 R549	H67-R94 VanDerWaalsContact CG-CZ 3.41Å; H67-R94 VanDerWaalsContact CG-NH1 3.3Å; H67-Y119 AromaticContact ND1-CE1 3.92Å; H67-Y119 AromaticContact ND1-CZ 3.76Å; H67-Y119 PolarHBondContact ND1-OH 3.25Å; H67-D472 WeakPolarHBondContact CB-OD2 3.37Å; H67-D472 IonicContact CD2-OD1 2.83Å; H67-D472 PolarHBondContact CD2-OD1 3.43Å; H67-D472 IonicContact CD2-OD2 2.83Å; H67-D472 PolarHBondContact CD2-OD2 3.26Å; H67-D472 IonicContact CG-OD1 3.42Å; H67-D472 IonicContact CG-OD2 3.12Å; H67-D472 PolarHBondContact N-OD2 3.22Å; H67-Y547 PolarHBondContact NE2-O 3.37Å; H67-R549 PolarHBondContact NE2-N 2.9Å; H67-R549 VanDerWaalsContact NE2-N 3.12Å
68	E	83.8	Confident	76.5	Confident	80 Å²	80	70.4 Å²	70.4	37%	0.374	39%	0.392	S	S	.	.	S	Bend	trans	-71.8	-56.3	-176.9	-68.2	172.3	-177.7	0	0	112.4	S92 D93 Y119	E68-S92 WeakPolarHBondContact CB-OG 3.38Å; E68-S92 PolarHBondContact OE2-OG 2.81Å; E68-D93 PolarHBondContact OE2-N 3.36Å; E68-Y119 HydrophobicContact CG-CE2 4.14Å
69	V	82.3	Confident	74.9	Confident	74 Å²	74	76.7 Å²	76.7	45%	0.448	42%	0.418	S	S	.	.	S	Bend	trans	-142.3	167.3	-178	-171.6	0	0	0	0	109.2	R94	V69-R94 WeakPolarHBondContact O-CD 3.38Å; V69-R94 PolarHBondContact O-NH1 3.19Å
70	H	81.8	Confident	72.7	Confident	88 Å²	88	77.7 Å²	77.7	41%	0.407	42%	0.416	S	S	.	.			trans	-57.2	142.4	167.5	-163.9	-88	0	0	0	111.2	E72 Q95	H70-E72 PolarHBondContact ND1-N 2.61Å; H70-Q95 VanDerWaalsContact O-CG 3.24Å; H70-Q95 WeakPolarHBondContact O-CG 3.39Å; H70-Q95 PolarHBondContact O-NE2 3.29Å
71	Y	79.7	Confident	70.5	Confident	33 Å²	33	73.7 Å²	73.7	13%	0.129	41%	0.414	C	S	.	.	S	Bend	trans	-76.2	-30.5	-169.3	61.5	-89.3	0	0	0	113.9	F98 V545	Y71-F98 HydrophobicContact CD2-CD1 4.02Å; Y71-F98 AromaticContact CD2-CD2 3.8Å; Y71-F98 HydrophobicContact CD2-CD2 3.8Å; Y71-F98 AromaticContact CD2-CE1 3.98Å; Y71-F98 HydrophobicContact CD2-CE1 3.98Å; Y71-F98 AromaticContact CD2-CE2 3.77Å; Y71-F98 HydrophobicContact CD2-CE2 3.77Å; Y71-F98 AromaticContact CD2-CG 3.93Å; Y71-F98 HydrophobicContact CD2-CG 3.93Å; Y71-F98 AromaticContact CD2-CZ 3.86Å; Y71-F98 HydrophobicContact CD2-CZ 3.86Å; Y71-F98 HydrophobicContact CE2-CE1 4.36Å; Y71-F98 HydrophobicContact CE2-CE2 4.1Å; Y71-F98 AromaticContact CE2-CZ 3.98Å; Y71-F98 HydrophobicContact CE2-CZ 3.98Å; Y71-V545 HydrophobicContact CD1-CG1 4.45Å; Y71-V545 HydrophobicContact CD1-CG2 4.46Å; Y71-V545 HydrophobicContact CD2-CG2 3.97Å; Y71-V545 HydrophobicContact CE1-CG1 4Å; Y71-V545 HydrophobicContact CE2-CG1 4.3Å; Y71-V545 HydrophobicContact CE2-CG2 4.18Å; Y71-V545 HydrophobicContact CG-CG2 4.15Å
72	E	79.1	Confident	68.4	Low	96 Å²	96	75.7 Å²	75.7	45%	0.449	43%	0.425	S	S	.	.	S	Bend	trans	-76.6	135.1	171.9	-82.1	158.6	-144.8	0	0	110.9	H70 F98	H70-E72 PolarHBondContact ND1-N 2.61Å; E72-F98 HydrophobicContact CG-CE1 4.26Å
73	I	67.5	Low	66.5	Low	51 Å²	51	81 Å²	81	26%	0.262	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-82.8	119.3	168	-59.2	171	0	0	0	105.8	C77 Q95 K99	I73-C77 HydrophobicContact CG2-CB 3.75Å; I73-Q95 HydrophobicContact CD1-CB 4.48Å; I73-Q95 HydrophobicContact CG1-CB 4.1Å; I73-Q95 HydrophobicContact CG1-CG 4.27Å; I73-K99 HydrophobicContact CD1-CD 4.29Å
74	L	61.2	Low	64.3	Low	108 Å²	108	86.6 Å²	86.6	57%	0.565	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-62.5	143.8	178.5	-86.9	88.5	0	0	0	110.3	C76 C77	L74-C76 VanDerWaalsContact CB-SG 3.57Å; L74-C76 PolarHBondContact O-N 2.89Å; L74-C77 WeakPolarHBondContact O-CB 3.44Å; L74-C77 PolarHBondContact O-N 3.02Å
75	P	53.8	Low	62.1	Low	98 Å²	98	89.5 Å²	89.5	64%	0.636	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-53.9	-28	-179.4	-25.5	32.1	0	0	0	114	C77 E78	P75-C77 PolarHBondContact O-N 3.02Å; P75-E78 PolarHBondContact O-N 3.02Å
76	C	52.8	Low	59.6	Low	93 Å²	93	95.2 Å²	95.2	63%	0.628	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-60.5	-14.4	175.5	61.5	0	0	0	0	114.1	L74	L74-C76 VanDerWaalsContact CB-SG 3.57Å; L74-C76 PolarHBondContact O-N 2.89Å
77	C	53	Low	57.5	Low	66 Å²	66	95.5 Å²	95.5	45%	0.446	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-102.1	-8.4	177.2	-58.2	0	0	0	0	113.5	I73 L74 P75	I73-C77 HydrophobicContact CG2-CB 3.75Å; L74-C77 WeakPolarHBondContact O-CB 3.44Å; L74-C77 PolarHBondContact O-N 3.02Å; P75-C77 PolarHBondContact O-N 3.02Å
78	E	50.9	Low	55.7	Low	112 Å²	112	101.4 Å²	101.4	52%	0.523	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	-22.9	-168.7	-152.2	154.5	-145.1	0	0	113.5	P75 Q80 K99	P75-E78 PolarHBondContact O-N 3.02Å; E78-Q80 VanDerWaalsContact C-N 3.29Å; E78-Q80 PolarHBondContact O-N 3.12Å; E78-K99 IonicContact OE1-NZ 2.75Å; E78-K99 PolarHBondContact OE1-NZ 2.96Å; E78-K99 VanDerWaalsContact OE1-NZ 3.1Å
79	D	47.1	Very low	54.7	Low	161 Å²	161	106.3 Å²	106.3	86%	0.861	61%	0.606	S	S	*	*	S	Bend	trans	-82.7	0.2	175.1	-72.1	-33.2	0	0	0	114.2
80	Q	41.4	Very low	54.1	Low	118 Å²	118	108.1 Å²	108.1	55%	0.551	62%	0.62	S	S	*	*	S	Bend	trans	-100.9	99.1	172.5	-61.2	-170.9	-16.2	0	0	107.3	E78	E78-Q80 VanDerWaalsContact C-N 3.29Å; E78-Q80 PolarHBondContact O-N 3.12Å
81	G	42.1	Very low	53.7	Low	43 Å²	43	107.2 Å²	107.2	44%	0.443	62%	0.622	S	S	.	*			trans	-50.9	174.2	174.7	0	0	0	0	0	112.6	L83	G81-L83 PolarHBondContact O-N 3.45Å
82	P	36.8	Very low	54	Low	142 Å²	142	106.4 Å²	106.4	92%	0.922	62%	0.621	S	S	*	*	S	Bend	trans	-68.7	81.5	-178.8	30.4	-33.1	0	0	0	110
83	L	41	Very low	54.4	Low	138 Å²	138	102.6 Å²	102.6	72%	0.723	60%	0.603	S	S	*	*			trans	-119.5	87.7	175.8	-90.2	144.3	0	0	0	106.9	G81 T85	G81-L83 PolarHBondContact O-N 3.45Å; L83-T85 PolarHBondContact O-N 2.88Å
84	T	39.1	Very low	55.5	Low	144 Å²	144	100.6 Å²	100.6	88%	0.883	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	82.3	160.3	45.3	0	0	0	0	109.1
85	T	40.3	Very low	56.8	Low	115 Å²	115	96.9 Å²	96.9	71%	0.706	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.7	-13.7	168.1	37.4	0	0	0	0	115.2	L83	L83-T85 PolarHBondContact O-N 2.88Å
86	D	36.4	Very low	58.6	Low	138 Å²	138	94.7 Å²	94.7	74%	0.738	56%	0.555	S	S	*	*	S	Bend	trans	-124.7	96.5	177.5	-93.9	-24.7	0	0	0	111.1	K88	D86-K88 WeakPolarHBondContact O-CG 3.35Å; D86-K88 PolarHBondContact O-N 3.42Å
87	G	47.2	Very low	60.5	Low	92 Å²	92	90.3 Å²	90.3	95%	0.948	53%	0.525	S	S	*	.			trans	37.4	10.2	151	0	0	0	0	0	122.6
88	K	52.8	Low	62.3	Low	139 Å²	139	89.3 Å²	89.3	60%	0.604	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-97.7	129.3	-173.6	-72.7	-178.5	-178.1	-178.1	0	110	D86	D86-K88 WeakPolarHBondContact O-CG 3.35Å; D86-K88 PolarHBondContact O-N 3.42Å
89	E	61.4	Low	64.1	Low	183 Å²	183	88 Å²	88	86%	0.855	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-57.4	142.5	-178.9	-66.8	-178.5	168.1	0	0	111.4
90	P	70	Confident	66	Low	113 Å²	113	81.4 Å²	81.4	73%	0.734	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-58.4	149.2	176.5	25.9	-34.4	0	0	0	110.9	S92	P90-S92 PolarHBondContact O-N 3.45Å
91	P	74.5	Confident	68.5	Low	69 Å²	69	75.8 Å²	75.8	45%	0.448	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-57.4	134.2	-179.5	23	-33.1	0	0	0	111.2	L96	P91-L96 HydrophobicContact CB-CD1 4.43Å; P91-L96 HydrophobicContact CB-CD2 4.07Å; P91-L96 HydrophobicContact CB-CG 4.07Å; P91-L96 HydrophobicContact CG-CD1 4.13Å; P91-L96 HydrophobicContact CG-CD2 3.85Å; P91-L96 HydrophobicContact CG-CG 4.13Å
92	S	84.7	Confident	70.8	Confident	15 Å²	15	73.8 Å²	73.8	11%	0.105	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-61.3	150.6	-179.3	162.6	0	0	0	0	111.1	E68 P90 R94 Q95 L96	E68-S92 WeakPolarHBondContact CB-OG 3.38Å; E68-S92 PolarHBondContact OE2-OG 2.81Å; P90-S92 PolarHBondContact O-N 3.45Å; S92-R94 PolarHBondContact O-N 3.2Å; S92-R94 VanDerWaalsContact O-N 3.12Å; S92-R94 PolarHBondContact OG-N 3.25Å; S92-Q95 PolarHBondContact O-N 2.95Å; S92-Q95 VanDerWaalsContact O-N 3.08Å; S92-L96 PolarHBondContact O-N 3.11Å; S92-L96 VanDerWaalsContact O-N 3.13Å
93	D	87.6	Confident	73.2	Confident	16 Å²	16	69.6 Å²	69.6	9%	0.086	40%	0.399	C	S	.	.	H	α-helix	trans	-55.3	-32.8	177	-83.2	-29.6	0	0	0	111.4	E68 L97 R115 R118 Y119	E68-D93 PolarHBondContact OE2-N 3.36Å; D93-L97 WeakPolarHBondContact O-CB 3.41Å; D93-L97 WeakPolarHBondContact O-CD1 3.33Å; D93-L97 WeakPolarHBondContact O-CG 3.45Å; D93-L97 PolarHBondContact O-N 2.94Å; D93-R115 IonicContact OD1-NH1 3.35Å; D93-R115 PolarHBondContact OD1-NH1 3.09Å; D93-R118 VanDerWaalsContact OD2-CD 3.28Å; D93-R118 WeakPolarHBondContact OD2-CD 3.13Å; D93-R118 IonicContact OD2-CZ 3.37Å; D93-R118 IonicContact OD2-NE 3.71Å; D93-R118 PolarHBondContact OD2-NE 2.94Å; D93-Y119 HydrophobicContact CB-CD2 3.75Å; D93-Y119 HydrophobicContact CB-CE2 4.4Å; D93-Y119 HydrophobicContact CB-CG 4.42Å
94	R	90.6	Very high	75.5	Confident	9 Å²	9	67.5 Å²	67.5	3%	0.034	38%	0.384	C	S	.	.	H	α-helix	trans	-64.2	-46.1	176.6	-164	-169.7	-172.6	169.7	4.4	112.5	H67 V69 S92 L96 L97 F98 Y119 D472 V544	H67-R94 VanDerWaalsContact CG-CZ 3.41Å; H67-R94 VanDerWaalsContact CG-NH1 3.3Å; V69-R94 WeakPolarHBondContact O-CD 3.38Å; V69-R94 PolarHBondContact O-NH1 3.19Å; S92-R94 PolarHBondContact O-N 3.2Å; S92-R94 VanDerWaalsContact O-N 3.12Å; S92-R94 PolarHBondContact OG-N 3.25Å; R94-L96 VanDerWaalsContact C-N 3.35Å; R94-L97 PolarHBondContact O-N 3.49Å; R94-F98 PolarHBondContact O-N 3.34Å; R94-Y119 HydrophobicContact CB-CE2 4.16Å; R94-Y119 WeakPolarHBondContact CB-OH 3.27Å; R94-Y119 HydrophobicContact CG-CE1 4.46Å; R94-D472 IonicContact NH1-OD1 3.68Å; R94-V544 HydrophobicContact CG-CG1 4.19Å; R94-V544 PolarHBondContact NE-O 2.93Å; R94-V544 PolarHBondContact NH2-O 3.41Å
95	Q	90.1	Very high	77.8	Confident	30 Å²	30	64.5 Å²	64.5	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-66.5	-39.7	-179	-69.3	174.6	-35.4	0	0	111.1	H70 I73 S92 F98 K99	H70-Q95 VanDerWaalsContact O-CG 3.24Å; H70-Q95 WeakPolarHBondContact O-CG 3.39Å; H70-Q95 PolarHBondContact O-NE2 3.29Å; I73-Q95 HydrophobicContact CD1-CB 4.48Å; I73-Q95 HydrophobicContact CG1-CB 4.1Å; I73-Q95 HydrophobicContact CG1-CG 4.27Å; S92-Q95 PolarHBondContact O-N 2.95Å; S92-Q95 VanDerWaalsContact O-N 3.08Å; Q95-F98 PolarHBondContact O-N 2.94Å; Q95-K99 WeakPolarHBondContact O-CB 3.37Å; Q95-K99 PolarHBondContact O-N 3Å
96	L	90.2	Very high	80.1	Confident	53 Å²	53	63.6 Å²	63.6	28%	0.277	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-40.9	175.7	-67	173.7	0	0	0	112.1	P91 S92 R94 F98 K99 G100	P91-L96 HydrophobicContact CB-CD1 4.43Å; P91-L96 HydrophobicContact CB-CD2 4.07Å; P91-L96 HydrophobicContact CB-CG 4.07Å; P91-L96 HydrophobicContact CG-CD1 4.13Å; P91-L96 HydrophobicContact CG-CD2 3.85Å; P91-L96 HydrophobicContact CG-CG 4.13Å; S92-L96 PolarHBondContact O-N 3.11Å; S92-L96 VanDerWaalsContact O-N 3.13Å; R94-L96 VanDerWaalsContact C-N 3.35Å; L96-F98 VanDerWaalsContact C-N 3.32Å; L96-K99 PolarHBondContact O-N 3.28Å; L96-G100 PolarHBondContact O-N 3.5Å
97	L	92.8	Very high	82.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-37.7	173.7	-74.1	168.6	0	0	0	111.5	D93 R94 W101 A102 P112 R115 I116 Y119 F120 V544	D93-L97 WeakPolarHBondContact O-CB 3.41Å; D93-L97 WeakPolarHBondContact O-CD1 3.33Å; D93-L97 WeakPolarHBondContact O-CG 3.45Å; D93-L97 PolarHBondContact O-N 2.94Å; R94-L97 PolarHBondContact O-N 3.49Å; L97-W101 HydrophobicContact CB-CE3 4.34Å; L97-W101 HydrophobicContact CD2-CE3 3.8Å; L97-W101 HydrophobicContact CD2-CZ3 4.34Å; L97-W101 WeakPolarHBondContact O-CA 3.06Å; L97-W101 VanDerWaalsContact O-CB 3.31Å; L97-W101 WeakPolarHBondContact O-CB 3.3Å; L97-W101 PolarHBondContact O-N 3.21Å; L97-A102 PolarHBondContact O-N 3.38Å; L97-P112 HydrophobicContact CD2-CG 4.11Å; L97-R115 HydrophobicContact CD2-CB 4.06Å; L97-I116 HydrophobicContact CD2-CG1 3.81Å; L97-Y119 HydrophobicContact CD1-CD1 3.83Å; L97-Y119 HydrophobicContact CD1-CG 3.84Å; L97-F120 HydrophobicContact CD1-CE2 4.11Å; L97-V544 HydrophobicContact CB-CG2 4.19Å
98	F	91.8	Very high	84.6	Confident	45 Å²	45	67.3 Å²	67.3	20%	0.197	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-52.5	174.7	-175.1	-109.6	0	0	0	111.9	Y71 E72 R94 Q95 L96 G100 A102 N103 Y541 V544 V545	Y71-F98 HydrophobicContact CD2-CD1 4.02Å; Y71-F98 AromaticContact CD2-CD2 3.8Å; Y71-F98 HydrophobicContact CD2-CD2 3.8Å; Y71-F98 AromaticContact CD2-CE1 3.98Å; Y71-F98 HydrophobicContact CD2-CE1 3.98Å; Y71-F98 AromaticContact CD2-CE2 3.77Å; Y71-F98 HydrophobicContact CD2-CE2 3.77Å; Y71-F98 AromaticContact CD2-CG 3.93Å; Y71-F98 HydrophobicContact CD2-CG 3.93Å; Y71-F98 AromaticContact CD2-CZ 3.86Å; Y71-F98 HydrophobicContact CD2-CZ 3.86Å; Y71-F98 HydrophobicContact CE2-CE1 4.36Å; Y71-F98 HydrophobicContact CE2-CE2 4.1Å; Y71-F98 AromaticContact CE2-CZ 3.98Å; Y71-F98 HydrophobicContact CE2-CZ 3.98Å; E72-F98 HydrophobicContact CG-CE1 4.26Å; R94-F98 PolarHBondContact O-N 3.34Å; Q95-F98 PolarHBondContact O-N 2.94Å; L96-F98 VanDerWaalsContact C-N 3.32Å; F98-G100 PolarHBondContact O-N 3.5Å; F98-A102 HydrophobicContact CD2-CB 4.23Å; F98-N103 PolarHBondContact O-N 3.47Å; F98-Y541 HydrophobicContact CE2-CD2 4.46Å; F98-Y541 HydrophobicContact CE2-CE2 4.22Å; F98-V544 HydrophobicContact CB-CG1 3.9Å; F98-V544 HydrophobicContact CD2-CG1 4.1Å; F98-V544 HydrophobicContact CG-CG1 4.47Å; F98-V545 HydrophobicContact CD2-CG2 3.78Å; F98-V545 HydrophobicContact CE2-CG2 3.71Å
99	K	88.7	Confident	86.3	Confident	85 Å²	85	62.8 Å²	62.8	37%	0.37	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-38.8	-176.6	-172.7	164.4	-176.6	155.3	0	113.2	I73 E78 Q95 L96 R106	I73-K99 HydrophobicContact CD1-CD 4.29Å; E78-K99 IonicContact OE1-NZ 2.75Å; E78-K99 PolarHBondContact OE1-NZ 2.96Å; E78-K99 VanDerWaalsContact OE1-NZ 3.1Å; Q95-K99 WeakPolarHBondContact O-CB 3.37Å; Q95-K99 PolarHBondContact O-N 3Å; L96-K99 PolarHBondContact O-N 3.28Å; K99-R106 WeakPolarHBondContact O-CD 3.43Å; K99-R106 PolarHBondContact O-NE 3Å
100	G	87.2	Confident	87.7	Confident	22 Å²	22	59.5 Å²	59.5	23%	0.227	31%	0.305	C	S	.	.	H	α-helix	trans	-100.4	-15.9	-172.6	0	0	0	0	0	116.1	L96 F98	L96-G100 PolarHBondContact O-N 3.5Å; F98-G100 PolarHBondContact O-N 3.5Å
101	W	92.5	Very high	88.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-50.2	-170.5	178.7	54.8	0	0	0	113.7	L97 N103 P112 I116 F120 F128 R537 A540 V544	L97-W101 HydrophobicContact CB-CE3 4.34Å; L97-W101 HydrophobicContact CD2-CE3 3.8Å; L97-W101 HydrophobicContact CD2-CZ3 4.34Å; L97-W101 WeakPolarHBondContact O-CA 3.06Å; L97-W101 VanDerWaalsContact O-CB 3.31Å; L97-W101 WeakPolarHBondContact O-CB 3.3Å; L97-W101 PolarHBondContact O-N 3.21Å; W101-N103 PolarHBondContact O-N 2.88Å; W101-P112 HydrophobicContact CB-CG 3.96Å; W101-P112 HydrophobicContact CG-CG 4.23Å; W101-I116 HydrophobicContact CD2-CD1 3.9Å; W101-I116 HydrophobicContact CD2-CG1 4.18Å; W101-I116 VanDerWaalsContact CE2-CD1 3.46Å; W101-I116 HydrophobicContact CE3-CD1 4.26Å; W101-I116 HydrophobicContact CE3-CG1 4.05Å; W101-I116 HydrophobicContact CH2-CD1 3.81Å; W101-I116 HydrophobicContact CH2-CG1 3.86Å; W101-I116 HydrophobicContact CH2-CG2 4.08Å; W101-I116 HydrophobicContact CZ2-CD1 3.39Å; W101-I116 HydrophobicContact CZ2-CG1 3.98Å; W101-I116 HydrophobicContact CZ3-CD1 4.23Å; W101-I116 HydrophobicContact CZ3-CG1 3.91Å; W101-F120 HydrophobicContact CZ3-CE2 4.09Å; W101-F128 HydrophobicContact CH2-CD1 4.34Å; W101-F128 AromaticContact CH2-CD2 3.76Å; W101-F128 HydrophobicContact CH2-CD2 3.76Å; W101-F128 AromaticContact CH2-CE1 3.99Å; W101-F128 HydrophobicContact CH2-CE1 3.99Å; W101-F128 AromaticContact CH2-CE2 3.38Å; W101-F128 HydrophobicContact CH2-CE2 3.38Å; W101-F128 HydrophobicContact CH2-CG 4.21Å; W101-F128 AromaticContact CH2-CZ 3.48Å; W101-F128 HydrophobicContact CH2-CZ 3.48Å; W101-F128 VanDerWaalsContact CH2-CZ 3.48Å; W101-F128 HydrophobicContact CZ2-CB 4.46Å; W101-F128 AromaticContact CZ2-CD1 3.51Å; W101-F128 HydrophobicContact CZ2-CD1 3.51Å; W101-F128 AromaticContact CZ2-CD2 3.64Å; W101-F128 HydrophobicContact CZ2-CD2 3.64Å; W101-F128 AromaticContact CZ2-CE1 3.4Å; W101-F128 HydrophobicContact CZ2-CE1 3.4Å; W101-F128 AromaticContact CZ2-CE2 3.57Å; W101-F128 HydrophobicContact CZ2-CE2 3.57Å; W101-F128 AromaticContact CZ2-CG 3.6Å; W101-F128 HydrophobicContact CZ2-CG 3.6Å; W101-F128 AromaticContact CZ2-CZ 3.41Å; W101-F128 HydrophobicContact CZ2-CZ 3.41Å; W101-F128 VanDerWaalsContact CZ2-CZ 3.41Å; W101-R537 VanDerWaalsContact O-CD 3.31Å; W101-R537 WeakPolarHBondContact O-CD 3.35Å; W101-R537 PolarHBondContact O-NH1 3.37Å; W101-A540 HydrophobicContact CD2-CB 3.56Å; W101-A540 VanDerWaalsContact CE2-CB 3.49Å; W101-A540 HydrophobicContact CE3-CB 3.75Å; W101-A540 HydrophobicContact CG-CB 4.17Å; W101-A540 HydrophobicContact CH2-CB 3.9Å; W101-A540 HydrophobicContact CZ2-CB 3.7Å; W101-A540 HydrophobicContact CZ3-CB 3.91Å; W101-V544 HydrophobicContact CE3-CG2 4.34Å; W101-V544 HydrophobicContact CZ3-CG2 4.2Å
102	A	90.7	Very high	89.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.266	C	S	.	.	S	Bend	trans	-81.4	9.4	-180	0	0	0	0	0	114.7	L97 F98 A540 V544	L97-A102 PolarHBondContact O-N 3.38Å; F98-A102 HydrophobicContact CD2-CB 4.23Å; A102-A540 HydrophobicContact CB-CB 4Å; A102-V544 HydrophobicContact CB-CB 4.11Å; A102-V544 HydrophobicContact CB-CG1 4.47Å; A102-V544 HydrophobicContact CB-CG2 4.08Å
103	N	87.9	Confident	90.1	Very high	54 Å²	54	56.1 Å²	56.1	29%	0.289	27%	0.273	S	S	.	.			trans	-95.4	120.4	176.4	-171.5	-14.3	0	0	0	110.8	F98 W101 S105 R106	F98-N103 PolarHBondContact O-N 3.47Å; W101-N103 PolarHBondContact O-N 2.88Å; N103-S105 PolarHBondContact O-N 3.03Å; N103-S105 PolarHBondContact OD1-N 3.37Å; N103-S105 VanDerWaalsContact OD1-N 3.09Å; N103-R106 PolarHBondContact O-N 2.88Å; N103-R106 VanDerWaalsContact O-N 3.11Å
104	F	88.1	Confident	90.3	Very high	94 Å²	94	58.9 Å²	58.9	41%	0.412	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59.9	-30.7	179.8	-72.1	-83.7	0	0	0	113.5	R106 W107 R537 V538 Y541	F104-R106 PolarHBondContact O-N 3.09Å; F104-W107 PolarHBondContact O-N 2.95Å; F104-R537 HydrophobicContact CD1-CB 3.8Å; F104-R537 HydrophobicContact CE1-CB 3.8Å; F104-V538 HydrophobicContact CE1-CG2 3.81Å; F104-V538 HydrophobicContact CZ-CG2 3.96Å; F104-Y541 HydrophobicContact CE2-CD2 4.22Å; F104-Y541 HydrophobicContact CE2-CG 4.29Å
105	S	89.3	Confident	90.4	Very high	82 Å²	82	63.9 Å²	63.9	57%	0.573	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.8	178.6	-57.5	0	0	0	0	113.2	N103 W108	N103-S105 PolarHBondContact O-N 3.03Å; N103-S105 PolarHBondContact OD1-N 3.37Å; N103-S105 VanDerWaalsContact OD1-N 3.09Å; S105-W108 WeakPolarHBondContact O-CH2 3.26Å; S105-W108 VanDerWaalsContact O-CZ3 3.27Å; S105-W108 WeakPolarHBondContact O-CZ3 3.45Å
106	R	88.2	Confident	90.6	Very high	95 Å²	95	62.5 Å²	62.5	36%	0.358	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-104.6	41	-178.9	-70.3	-179.7	175.9	-135.2	5.5	111.9	K99 N103 F104 W108 D109 R537	K99-R106 WeakPolarHBondContact O-CD 3.43Å; K99-R106 PolarHBondContact O-NE 3Å; N103-R106 PolarHBondContact O-N 2.88Å; N103-R106 VanDerWaalsContact O-N 3.11Å; F104-R106 PolarHBondContact O-N 3.09Å; R106-W108 PolarHBondContact O-N 3.12Å; R106-D109 HydrophobicContact CB-CB 4.33Å; R106-D109 WeakPolarHBondContact CD-OD2 3.48Å; R106-D109 IonicContact NH1-OD2 2.77Å; R106-D109 PolarHBondContact NH1-OD2 3.43Å; R106-D109 PolarHBondContact O-N 2.84Å; R106-R537 PolarHBondContact O-NH1 3.16Å; R106-R537 PolarHBondContact O-NH2 3.02Å
107	W	88.1	Confident	90.7	Very high	138 Å²	138	62.2 Å²	62.2	52%	0.523	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.3	-175.6	66.2	-91.6	0	0	0	113.4	F104 I533 R537	F104-W107 PolarHBondContact O-N 2.95Å; W107-I533 HydrophobicContact CB-CG2 4.36Å; W107-I533 HydrophobicContact CD2-CG2 4.39Å; W107-I533 HydrophobicContact CE3-CG2 3.77Å; W107-I533 HydrophobicContact CZ3-CD1 4.48Å; W107-I533 HydrophobicContact CZ3-CG2 4.47Å; W107-R537 VanDerWaalsContact C-NH2 3.29Å; W107-R537 PolarHBondContact O-NH2 3.33Å
108	W	88.4	Confident	90.7	Very high	171 Å²	171	69 Å²	69	65%	0.648	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-15.5	177.2	59	74.8	0	0	0	114.5	S105 R106	S105-W108 WeakPolarHBondContact O-CH2 3.26Å; S105-W108 VanDerWaalsContact O-CZ3 3.27Å; S105-W108 WeakPolarHBondContact O-CZ3 3.45Å; R106-W108 PolarHBondContact O-N 3.12Å
109	D	89.8	Confident	90.7	Very high	43 Å²	43	66.9 Å²	66.9	23%	0.23	31%	0.31	C	S	.	.	S	Bend	trans	-69.9	137.8	-177.7	-77.2	-9.5	0	0	0	110.5	R106 R537	R106-D109 HydrophobicContact CB-CB 4.33Å; R106-D109 WeakPolarHBondContact CD-OD2 3.48Å; R106-D109 IonicContact NH1-OD2 2.77Å; R106-D109 PolarHBondContact NH1-OD2 3.43Å; R106-D109 PolarHBondContact O-N 2.84Å; D109-R537 PolarHBondContact O-NH2 3.07Å
110	P	91	Very high	90.8	Very high	115 Å²	115	62.9 Å²	62.9	75%	0.747	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-64.4	145.8	178.5	27.4	-34.5	0	0	0	111.6
111	Q	92.7	Very high	90.9	Very high	22 Å²	22	62.2 Å²	62.2	10%	0.103	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.1	131.2	-177.1	-63.4	-173.1	73.4	0	0	112.3	Y113 F128 V536	Q111-Y113 VanDerWaalsContact C-N 3.33Å; Q111-Y113 HydrophobicContact CB-CD1 3.99Å; Q111-Y113 HydrophobicContact CB-CE1 3.5Å; Q111-Y113 HydrophobicContact CG-CE1 4.35Å; Q111-Y113 PolarHBondContact O-N 3.46Å; Q111-F128 PolarHBondContact NE2-O 2.81Å; Q111-V536 HydrophobicContact CG-CG1 4.06Å
112	P	94	Very high	90.7	Very high	39 Å²	39	62.9 Å²	62.9	25%	0.253	29%	0.29	S	S	.	.			trans	-83.2	69.7	-178.4	34.3	-36.4	0	0	0	112.4	L97 W101 E114 R115 I116	L97-P112 HydrophobicContact CD2-CG 4.11Å; W101-P112 HydrophobicContact CB-CG 3.96Å; W101-P112 HydrophobicContact CG-CG 4.23Å; P112-E114 VanDerWaalsContact C-N 3.29Å; P112-E114 PolarHBondContact O-N 2.92Å; P112-E114 VanDerWaalsContact O-N 3.12Å; P112-R115 HydrophobicContact CB-CB 4.35Å; P112-R115 PolarHBondContact O-N 2.92Å; P112-I116 HydrophobicContact CG-CD1 4.47Å; P112-I116 HydrophobicContact CG-CG1 4.47Å; P112-I116 WeakPolarHBondContact O-CG1 3.36Å; P112-I116 PolarHBondContact O-N 3.47Å; P112-I116 VanDerWaalsContact O-N 3.1Å
113	Y	93	Very high	90.5	Very high	65 Å²	65	64.5 Å²	64.5	26%	0.255	30%	0.297	S	S	.	.	H	α-helix	trans	-50.9	-40.3	-172.8	-54.5	-54.8	0	0	0	115	Q111 I116 K117 V129	Q111-Y113 VanDerWaalsContact C-N 3.33Å; Q111-Y113 HydrophobicContact CB-CD1 3.99Å; Q111-Y113 HydrophobicContact CB-CE1 3.5Å; Q111-Y113 HydrophobicContact CG-CE1 4.35Å; Q111-Y113 PolarHBondContact O-N 3.46Å; Y113-I116 PolarHBondContact O-N 3.31Å; Y113-K117 WeakPolarHBondContact O-CB 3.37Å; Y113-K117 PolarHBondContact O-N 2.91Å; Y113-V129 HydrophobicContact CD1-CB 4.3Å; Y113-V129 HydrophobicContact CD1-CG2 3.32Å; Y113-V129 HydrophobicContact CD2-CG2 4.17Å; Y113-V129 HydrophobicContact CE1-CB 4.29Å; Y113-V129 HydrophobicContact CE1-CG2 3.77Å; Y113-V129 HydrophobicContact CG-CG2 3.54Å
114	E	91.8	Very high	90.6	Very high	74 Å²	74	62.4 Å²	62.4	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-68.2	-36.2	-179.1	-64.5	-66.3	-179	0	0	112.7	P112 R118 R234 W235	P112-E114 VanDerWaalsContact C-N 3.29Å; P112-E114 PolarHBondContact O-N 2.92Å; P112-E114 VanDerWaalsContact O-N 3.12Å; E114-R118 VanDerWaalsContact O-CB 3.31Å; E114-R118 WeakPolarHBondContact O-CB 3.32Å; E114-R118 PolarHBondContact O-N 2.81Å; E114-R234 IonicContact OE1-CZ 3.42Å; E114-R234 IonicContact OE1-NE 3.05Å; E114-R234 PolarHBondContact OE1-NE 3.26Å; E114-R234 IonicContact OE1-NH2 3.93Å; E114-R234 PolarHBondContact OE1-NH2 2.89Å; E114-W235 PolarHBondContact OE2-NE1 3.39Å
115	R	92.8	Very high	90.9	Very high	114 Å²	114	57.9 Å²	57.9	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-72.2	-40.3	176.1	-68.1	-175.9	-177.4	-95.5	8.2	111	D93 L97 P112 K117 R118 Y119	D93-R115 IonicContact OD1-NH1 3.35Å; D93-R115 PolarHBondContact OD1-NH1 3.09Å; L97-R115 HydrophobicContact CD2-CB 4.06Å; P112-R115 HydrophobicContact CB-CB 4.35Å; P112-R115 PolarHBondContact O-N 2.92Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-K117 PolarHBondContact O-N 3.28Å; R115-R118 PolarHBondContact O-N 2.98Å; R115-Y119 WeakPolarHBondContact O-CB 3.47Å; R115-Y119 PolarHBondContact O-N 3.44Å
116	I	93.3	Very high	91	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-47.9	174	-60.8	165	0	0	0	109.6	L97 W101 P112 Y113 Y119 F120 I124 A125 F128	L97-I116 HydrophobicContact CD2-CG1 3.81Å; W101-I116 HydrophobicContact CD2-CD1 3.9Å; W101-I116 HydrophobicContact CD2-CG1 4.18Å; W101-I116 VanDerWaalsContact CE2-CD1 3.46Å; W101-I116 HydrophobicContact CE3-CD1 4.26Å; W101-I116 HydrophobicContact CE3-CG1 4.05Å; W101-I116 HydrophobicContact CH2-CD1 3.81Å; W101-I116 HydrophobicContact CH2-CG1 3.86Å; W101-I116 HydrophobicContact CH2-CG2 4.08Å; W101-I116 HydrophobicContact CZ2-CD1 3.39Å; W101-I116 HydrophobicContact CZ2-CG1 3.98Å; W101-I116 HydrophobicContact CZ3-CD1 4.23Å; W101-I116 HydrophobicContact CZ3-CG1 3.91Å; P112-I116 HydrophobicContact CG-CD1 4.47Å; P112-I116 HydrophobicContact CG-CG1 4.47Å; P112-I116 WeakPolarHBondContact O-CG1 3.36Å; P112-I116 PolarHBondContact O-N 3.47Å; P112-I116 VanDerWaalsContact O-N 3.1Å; Y113-I116 PolarHBondContact O-N 3.31Å; I116-Y119 PolarHBondContact O-N 3.01Å; I116-F120 HydrophobicContact CG2-CD2 4.23Å; I116-F120 PolarHBondContact O-N 2.99Å; I116-I124 HydrophobicContact CG2-CG2 4.49Å; I116-A125 HydrophobicContact CG2-CB 4.11Å; I116-F128 HydrophobicContact CD1-CB 4.43Å; I116-F128 HydrophobicContact CG2-CD2 4.09Å
117	K	92.8	Very high	91.1	Very high	47 Å²	47	49.8 Å²	49.8	20%	0.204	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-47.6	174.8	175.1	-169.7	165.5	-169.7	0	112.2	Y113 R115 Y119 G121 V122 A125 W235	Y113-K117 WeakPolarHBondContact O-CB 3.37Å; Y113-K117 PolarHBondContact O-N 2.91Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-K117 PolarHBondContact O-N 3.28Å; K117-Y119 VanDerWaalsContact C-N 3.25Å; K117-Y119 PolarHBondContact O-N 2.87Å; K117-G121 WeakPolarHBondContact O-CA 3.32Å; K117-G121 PolarHBondContact O-N 2.66Å; K117-V122 HydrophobicContact CD-CG2 4.39Å; K117-V122 HydrophobicContact CG-CG2 4.11Å; K117-A125 HydrophobicContact CB-CB 3.69Å; K117-W235 HydrophobicContact CD-CD2 3.86Å; K117-W235 HydrophobicContact CD-CG 3.75Å; K117-W235 HydrophobicContact CD-CZ2 4.36Å
118	R	91.5	Very high	91.4	Very high	144 Å²	144	43.2 Å²	43.2	54%	0.543	20%	0.198	S	C	.	.	H	α-helix	trans	-59.7	-38	-179.1	179.8	177.2	171	148.7	6.7	111.7	T24 A26 D93 E114 R115	T24-R118 HydrophobicContact CG2-CG 4.12Å; A26-R118 VanDerWaalsContact CB-O 3.22Å; A26-R118 WeakPolarHBondContact CB-O 3.38Å; D93-R118 VanDerWaalsContact OD2-CD 3.28Å; D93-R118 WeakPolarHBondContact OD2-CD 3.13Å; D93-R118 IonicContact OD2-CZ 3.37Å; D93-R118 IonicContact OD2-NE 3.71Å; D93-R118 PolarHBondContact OD2-NE 2.94Å; E114-R118 VanDerWaalsContact O-CB 3.31Å; E114-R118 WeakPolarHBondContact O-CB 3.32Å; E114-R118 PolarHBondContact O-N 2.81Å; R115-R118 PolarHBondContact O-N 2.98Å
119	Y	92.4	Very high	91.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-89.5	-47.8	-174.1	-166.9	-105.6	0	0	0	114.3	H67 E68 D93 R94 L97 R115 I116 K117 R549	H67-Y119 AromaticContact ND1-CE1 3.92Å; H67-Y119 AromaticContact ND1-CZ 3.76Å; H67-Y119 PolarHBondContact ND1-OH 3.25Å; E68-Y119 HydrophobicContact CG-CE2 4.14Å; D93-Y119 HydrophobicContact CB-CD2 3.75Å; D93-Y119 HydrophobicContact CB-CE2 4.4Å; D93-Y119 HydrophobicContact CB-CG 4.42Å; R94-Y119 HydrophobicContact CB-CE2 4.16Å; R94-Y119 WeakPolarHBondContact CB-OH 3.27Å; R94-Y119 HydrophobicContact CG-CE1 4.46Å; L97-Y119 HydrophobicContact CD1-CD1 3.83Å; L97-Y119 HydrophobicContact CD1-CG 3.84Å; R115-Y119 WeakPolarHBondContact O-CB 3.47Å; R115-Y119 PolarHBondContact O-N 3.44Å; I116-Y119 PolarHBondContact O-N 3.01Å; K117-Y119 VanDerWaalsContact C-N 3.25Å; K117-Y119 PolarHBondContact O-N 2.87Å; Y119-R549 PolarHBondContact O-NE 2.82Å; Y119-R549 PolarHBondContact O-NH2 3.45Å
120	F	90.7	Very high	92	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-102.3	-17.1	-174.4	-67.7	-63.9	0	0	0	114.1	L97 W101 I116 I124 Y543 V544 P550	L97-F120 HydrophobicContact CD1-CE2 4.11Å; W101-F120 HydrophobicContact CZ3-CE2 4.09Å; I116-F120 HydrophobicContact CG2-CD2 4.23Å; I116-F120 PolarHBondContact O-N 2.99Å; F120-I124 HydrophobicContact CB-CB 4.09Å; F120-I124 HydrophobicContact CB-CD1 3.93Å; F120-I124 HydrophobicContact CB-CG2 4.03Å; F120-I124 HydrophobicContact CG-CG2 4.46Å; F120-Y543 WeakPolarHBondContact CZ-O 3.33Å; F120-V544 HydrophobicContact CE2-CG2 4.26Å; F120-V544 HydrophobicContact CZ-CG2 4.15Å; F120-P550 HydrophobicContact CD1-CG 3.81Å; F120-P550 HydrophobicContact CE1-CG 4.4Å
121	G	89	Confident	92.1	Very high	8 Å²	8	27.8 Å²	27.8	8%	0.082	12%	0.122	C	C	.	.			trans	99.5	176.1	-176.2	0	0	0	0	0	114	K117 A125	K117-G121 WeakPolarHBondContact O-CA 3.32Å; K117-G121 PolarHBondContact O-N 2.66Å; G121-A125 WeakPolarHBondContact O-CB 3.35Å; G121-A125 PolarHBondContact O-N 3.36Å
122	V	89.2	Confident	92.1	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-71.4	-41.9	-169.7	170.3	0	0	0	0	112.1	K117 I124 A125 L126 W235 L237 A553 A555	K117-V122 HydrophobicContact CD-CG2 4.39Å; K117-V122 HydrophobicContact CG-CG2 4.11Å; V122-I124 PolarHBondContact O-N 3.44Å; V122-A125 PolarHBondContact O-N 2.94Å; V122-L126 WeakPolarHBondContact O-CB 3.27Å; V122-L126 PolarHBondContact O-N 3.44Å; V122-W235 HydrophobicContact CG1-CE3 3.84Å; V122-W235 HydrophobicContact CG1-CZ3 4.17Å; V122-L237 HydrophobicContact CG1-CD1 3.56Å; V122-L237 HydrophobicContact CG1-CD2 4.21Å; V122-L237 HydrophobicContact CG1-CG 4.49Å; V122-A553 PolarHBondContact N-O 3.03Å; V122-A555 VanDerWaalsContact CG1-O 3.28Å; V122-A555 WeakPolarHBondContact CG1-O 3.42Å
123	K	87	Confident	92.1	Very high	35 Å²	35	27 Å²	27	15%	0.152	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-45.1	-175.8	-168.8	170.1	-173.2	165.8	0	112.2	Y127 E367 N498 V500 A553 A555	K123-Y127 PolarHBondContact O-N 3.3Å; K123-E367 IonicContact NZ-OE1 2.9Å; K123-E367 PolarHBondContact NZ-OE1 3.19Å; K123-E367 IonicContact NZ-OE2 3.38Å; K123-E367 PolarHBondContact NZ-OE2 3.13Å; K123-N498 PolarHBondContact NZ-ND2 2.86Å; K123-V500 HydrophobicContact CG-CG1 4.48Å; K123-V500 HydrophobicContact CG-CG2 4.42Å; K123-A553 HydrophobicContact CB-CB 3.95Å; K123-A553 HydrophobicContact CD-CB 3.94Å; K123-A553 PolarHBondContact N-O 3.12Å; K123-A553 VanDerWaalsContact N-O 3.16Å; K123-A555 HydrophobicContact CB-CB 4.07Å; K123-A555 HydrophobicContact CD-CB 4.45Å; K123-A555 HydrophobicContact CG-CB 4Å
124	I	89.8	Confident	92.3	Very high	10 Å²	10	24 Å²	24	5%	0.051	11%	0.106	C	C	.	.	H	α-helix	trans	-70.4	-41.8	177.1	-67.1	166.6	0	0	0	110.9	I116 F120 V122 L126 Y127 F128 V500 Y543 P550	I116-I124 HydrophobicContact CG2-CG2 4.49Å; F120-I124 HydrophobicContact CB-CB 4.09Å; F120-I124 HydrophobicContact CB-CD1 3.93Å; F120-I124 HydrophobicContact CB-CG2 4.03Å; F120-I124 HydrophobicContact CG-CG2 4.46Å; V122-I124 PolarHBondContact O-N 3.44Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 2.66Å; I124-Y127 WeakPolarHBondContact O-CB 3.34Å; I124-Y127 PolarHBondContact O-N 2.64Å; I124-F128 HydrophobicContact CG2-CD2 3.91Å; I124-F128 HydrophobicContact CG2-CE2 3.71Å; I124-F128 VanDerWaalsContact O-CD2 3.31Å; I124-F128 WeakPolarHBondContact O-CD2 3.42Å; I124-F128 PolarHBondContact O-N 3.29Å; I124-V500 HydrophobicContact CG1-CG2 3.81Å; I124-Y543 HydrophobicContact CD1-CD1 4.35Å; I124-Y543 HydrophobicContact CD1-CE1 3.86Å; I124-Y543 HydrophobicContact CG1-CE1 4.38Å; I124-Y543 HydrophobicContact CG2-CE2 4.42Å; I124-P550 HydrophobicContact CD1-CB 3.82Å; I124-P550 HydrophobicContact CD1-CG 3.26Å
125	A	93.1	Very high	92.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-39.4	176.7	0	0	0	0	0	112.4	I116 K117 G121 V122 Y127 F128 V129 W235	I116-A125 HydrophobicContact CG2-CB 4.11Å; K117-A125 HydrophobicContact CB-CB 3.69Å; G121-A125 WeakPolarHBondContact O-CB 3.35Å; G121-A125 PolarHBondContact O-N 3.36Å; V122-A125 PolarHBondContact O-N 2.94Å; A125-Y127 VanDerWaalsContact C-N 3.3Å; A125-Y127 PolarHBondContact O-N 2.84Å; A125-F128 PolarHBondContact O-N 3.39Å; A125-V129 VanDerWaalsContact O-CG2 3.27Å; A125-V129 WeakPolarHBondContact O-CG2 3.47Å; A125-V129 PolarHBondContact O-N 2.91Å; A125-W235 HydrophobicContact CB-CH2 3.82Å; A125-W235 HydrophobicContact CB-CZ2 4.32Å; A125-W235 HydrophobicContact CB-CZ3 4.44Å
126	L	91.6	Very high	92.5	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-39.7	177.6	-173.7	63	0	0	0	111.5	V122 I124 V129 W130 W224 W235 D557 L558	V122-L126 WeakPolarHBondContact O-CB 3.27Å; V122-L126 PolarHBondContact O-N 3.44Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 2.66Å; L126-V129 PolarHBondContact O-N 3.28Å; L126-W130 WeakPolarHBondContact O-CB 3.21Å; L126-W130 PolarHBondContact O-N 2.99Å; L126-W224 HydrophobicContact CD1-CH2 4.23Å; L126-W224 HydrophobicContact CD1-CZ2 4.26Å; L126-W235 HydrophobicContact CB-CZ3 4.09Å; L126-W235 HydrophobicContact CD1-CZ3 4.13Å; L126-D557 VanDerWaalsContact CD2-C 3.46Å; L126-D557 WeakPolarHBondContact CD2-O 3.38Å; L126-L558 HydrophobicContact CG-CD2 4.47Å
127	Y	91.7	Very high	92.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-58.9	-49.9	173.2	167.2	-101.6	0	0	0	112.3	K123 I124 A125 V129 W130 L131 V500 L503 V504 D539	K123-Y127 PolarHBondContact O-N 3.3Å; I124-Y127 WeakPolarHBondContact O-CB 3.34Å; I124-Y127 PolarHBondContact O-N 2.64Å; A125-Y127 VanDerWaalsContact C-N 3.3Å; A125-Y127 PolarHBondContact O-N 2.84Å; Y127-V129 VanDerWaalsContact C-N 3.29Å; Y127-V129 PolarHBondContact O-N 3.45Å; Y127-W130 WeakPolarHBondContact O-CB 3.33Å; Y127-W130 PolarHBondContact O-N 3.07Å; Y127-W130 VanDerWaalsContact O-N 3.15Å; Y127-L131 HydrophobicContact CE1-CD2 4.17Å; Y127-L131 WeakPolarHBondContact O-CB 3.4Å; Y127-L131 PolarHBondContact O-N 3.28Å; Y127-V500 HydrophobicContact CG-CG1 4.45Å; Y127-L503 HydrophobicContact CD1-CD1 4.03Å; Y127-L503 HydrophobicContact CD2-CB 4Å; Y127-L503 HydrophobicContact CE1-CB 4.04Å; Y127-L503 HydrophobicContact CE1-CD1 3.73Å; Y127-L503 HydrophobicContact CE1-CG 4.42Å; Y127-L503 HydrophobicContact CE2-CB 3.41Å; Y127-L503 VanDerWaalsContact CE2-CB 3.41Å; Y127-L503 VanDerWaalsContact CZ-CB 3.44Å; Y127-V504 HydrophobicContact CD2-CG2 3.71Å; Y127-V504 HydrophobicContact CE2-CG2 4.31Å; Y127-D539 WeakPolarHBondContact CE1-OD2 3.05Å; Y127-D539 PolarHBondContact OH-OD2 3.38Å
128	F	94.4	Very high	92.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.7	-30.1	179.4	-76.8	-70.2	0	0	0	113.2	W101 Q111 I116 I124 A125 G132 D539 Y543	W101-F128 HydrophobicContact CH2-CD1 4.34Å; W101-F128 AromaticContact CH2-CD2 3.76Å; W101-F128 HydrophobicContact CH2-CD2 3.76Å; W101-F128 AromaticContact CH2-CE1 3.99Å; W101-F128 HydrophobicContact CH2-CE1 3.99Å; W101-F128 AromaticContact CH2-CE2 3.38Å; W101-F128 HydrophobicContact CH2-CE2 3.38Å; W101-F128 HydrophobicContact CH2-CG 4.21Å; W101-F128 AromaticContact CH2-CZ 3.48Å; W101-F128 HydrophobicContact CH2-CZ 3.48Å; W101-F128 VanDerWaalsContact CH2-CZ 3.48Å; W101-F128 HydrophobicContact CZ2-CB 4.46Å; W101-F128 AromaticContact CZ2-CD1 3.51Å; W101-F128 HydrophobicContact CZ2-CD1 3.51Å; W101-F128 AromaticContact CZ2-CD2 3.64Å; W101-F128 HydrophobicContact CZ2-CD2 3.64Å; W101-F128 AromaticContact CZ2-CE1 3.4Å; W101-F128 HydrophobicContact CZ2-CE1 3.4Å; W101-F128 AromaticContact CZ2-CE2 3.57Å; W101-F128 HydrophobicContact CZ2-CE2 3.57Å; W101-F128 AromaticContact CZ2-CG 3.6Å; W101-F128 HydrophobicContact CZ2-CG 3.6Å; W101-F128 AromaticContact CZ2-CZ 3.41Å; W101-F128 HydrophobicContact CZ2-CZ 3.41Å; W101-F128 VanDerWaalsContact CZ2-CZ 3.41Å; Q111-F128 PolarHBondContact NE2-O 2.81Å; I116-F128 HydrophobicContact CD1-CB 4.43Å; I116-F128 HydrophobicContact CG2-CD2 4.09Å; I124-F128 HydrophobicContact CG2-CD2 3.91Å; I124-F128 HydrophobicContact CG2-CE2 3.71Å; I124-F128 VanDerWaalsContact O-CD2 3.31Å; I124-F128 WeakPolarHBondContact O-CD2 3.42Å; I124-F128 PolarHBondContact O-N 3.29Å; A125-F128 PolarHBondContact O-N 3.39Å; F128-G132 PolarHBondContact O-N 3.47Å; F128-D539 HydrophobicContact CE1-CB 3.61Å; F128-D539 HydrophobicContact CZ-CB 3.68Å; F128-Y543 HydrophobicContact CE2-CD2 4Å; F128-Y543 HydrophobicContact CE2-CE2 4.11Å; F128-Y543 AromaticContact CZ-CD2 3.97Å; F128-Y543 HydrophobicContact CZ-CD2 3.97Å; F128-Y543 HydrophobicContact CZ-CE2 4.18Å
129	V	94.8	Very high	92.9	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	9%	0.089	C	C	.	.	H	α-helix	trans	-67.6	-42	171.1	177.5	0	0	0	0	111.2	Y113 A125 L126 Y127 H133 W224 L231 W235	Y113-V129 HydrophobicContact CD1-CB 4.3Å; Y113-V129 HydrophobicContact CD1-CG2 3.32Å; Y113-V129 HydrophobicContact CD2-CG2 4.17Å; Y113-V129 HydrophobicContact CE1-CB 4.29Å; Y113-V129 HydrophobicContact CE1-CG2 3.77Å; Y113-V129 HydrophobicContact CG-CG2 3.54Å; A125-V129 VanDerWaalsContact O-CG2 3.27Å; A125-V129 WeakPolarHBondContact O-CG2 3.47Å; A125-V129 PolarHBondContact O-N 2.91Å; L126-V129 PolarHBondContact O-N 3.28Å; Y127-V129 VanDerWaalsContact C-N 3.29Å; Y127-V129 PolarHBondContact O-N 3.45Å; V129-H133 WeakPolarHBondContact O-CB 3.09Å; V129-H133 PolarHBondContact O-N 3.37Å; V129-W224 HydrophobicContact CG1-CH2 4.26Å; V129-W224 HydrophobicContact CG1-CZ3 4.09Å; V129-L231 HydrophobicContact CB-CD1 4.3Å; V129-L231 HydrophobicContact CG1-CD1 3.38Å; V129-W235 HydrophobicContact CG2-CH2 3.82Å; V129-W235 HydrophobicContact CG2-CZ2 4.19Å
130	W	94.3	Very high	93.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-53.1	172.5	165.1	-103.4	0	0	0	111.3	L126 Y127 G132 H133 Y134 F220 L221 W224 S507 L558 L565	L126-W130 WeakPolarHBondContact O-CB 3.21Å; L126-W130 PolarHBondContact O-N 2.99Å; Y127-W130 WeakPolarHBondContact O-CB 3.33Å; Y127-W130 PolarHBondContact O-N 3.07Å; Y127-W130 VanDerWaalsContact O-N 3.15Å; W130-G132 VanDerWaalsContact C-N 3.32Å; W130-G132 PolarHBondContact O-N 2.89Å; W130-H133 PolarHBondContact O-N 3.1Å; W130-H133 VanDerWaalsContact O-N 3.14Å; W130-Y134 WeakPolarHBondContact O-CB 3.34Å; W130-Y134 PolarHBondContact O-N 3.18Å; W130-F220 AromaticContact CH2-CE1 3.49Å; W130-F220 HydrophobicContact CH2-CE1 3.49Å; W130-F220 VanDerWaalsContact CH2-CE1 3.49Å; W130-F220 AromaticContact CH2-CZ 3.37Å; W130-F220 HydrophobicContact CH2-CZ 3.37Å; W130-F220 HydrophobicContact CZ2-CE1 4.25Å; W130-F220 HydrophobicContact CZ2-CZ 4.04Å; W130-F220 HydrophobicContact CZ3-CE1 4.07Å; W130-F220 AromaticContact CZ3-CZ 3.65Å; W130-F220 HydrophobicContact CZ3-CZ 3.65Å; W130-L221 HydrophobicContact CH2-CD2 4.44Å; W130-W224 VanDerWaalsContact CA-CZ3 3.48Å; W130-W224 HydrophobicContact CB-CH2 3.54Å; W130-W224 HydrophobicContact CB-CZ2 3.89Å; W130-W224 HydrophobicContact CB-CZ3 4.11Å; W130-W224 HydrophobicContact CD2-CZ2 4.43Å; W130-W224 AromaticContact CE3-CD1 3.99Å; W130-W224 AromaticContact CE3-CD2 3.34Å; W130-W224 HydrophobicContact CE3-CD2 3.34Å; W130-W224 AromaticContact CE3-CE2 3.38Å; W130-W224 AromaticContact CE3-CE3 3.7Å; W130-W224 HydrophobicContact CE3-CE3 3.7Å; W130-W224 AromaticContact CE3-CG 3.75Å; W130-W224 HydrophobicContact CE3-CG 3.75Å; W130-W224 HydrophobicContact CE3-CH2 4.05Å; W130-W224 AromaticContact CE3-CZ2 3.75Å; W130-W224 HydrophobicContact CE3-CZ2 3.75Å; W130-W224 HydrophobicContact CE3-CZ3 4.03Å; W130-W224 AromaticContact CE3-NE1 3.8Å; W130-W224 HydrophobicContact CG-CH2 4.49Å; W130-W224 HydrophobicContact CZ3-CB 4Å; W130-W224 AromaticContact CZ3-CD1 3.63Å; W130-W224 AromaticContact CZ3-CD2 3.61Å; W130-W224 HydrophobicContact CZ3-CD2 3.61Å; W130-W224 AromaticContact CZ3-CE2 3.88Å; W130-W224 HydrophobicContact CZ3-CE3 4.23Å; W130-W224 AromaticContact CZ3-CG 3.45Å; W130-W224 HydrophobicContact CZ3-CG 3.45Å; W130-W224 VanDerWaalsContact CZ3-CG 3.45Å; W130-W224 AromaticContact CZ3-NE1 3.89Å; W130-S507 PolarHBondContact NE1-OG 2.67Å; W130-S507 VanDerWaalsContact NE1-OG 3.08Å; W130-L558 HydrophobicContact CB-CD1 4.37Å; W130-L558 HydrophobicContact CB-CD2 4.37Å; W130-L558 HydrophobicContact CD2-CD1 3.8Å; W130-L558 HydrophobicContact CE3-CD1 3.8Å; W130-L558 HydrophobicContact CG-CD1 4.07Å; W130-L558 HydrophobicContact CZ3-CD1 4.35Å; W130-L565 HydrophobicContact CH2-CD1 3.39Å; W130-L565 HydrophobicContact CH2-CD2 4.36Å; W130-L565 HydrophobicContact CZ2-CD1 3.65Å; W130-L565 HydrophobicContact CZ2-CD2 4.25Å; W130-L565 HydrophobicContact CZ3-CD1 4.24Å
131	L	93.1	Very high	93.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-60.3	-42.7	-179.3	-175.3	64.1	0	0	0	111.4	Y127 Y134 T135 E535 V536	Y127-L131 HydrophobicContact CE1-CD2 4.17Å; Y127-L131 WeakPolarHBondContact O-CB 3.4Å; Y127-L131 PolarHBondContact O-N 3.28Å; L131-Y134 PolarHBondContact O-N 2.64Å; L131-T135 WeakPolarHBondContact O-CB 3.22Å; L131-T135 PolarHBondContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 2.72Å; L131-E535 HydrophobicContact CD2-CG 4.45Å; L131-V536 HydrophobicContact CD2-CB 4.23Å; L131-V536 HydrophobicContact CD2-CG2 3.39Å; L131-V536 HydrophobicContact CG-CG2 3.68Å
132	G	94.2	Very high	93.7	Very high	10 Å²	10	17.4 Å²	17.4	10%	0.103	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-42.2	175	0	0	0	0	0	113	F128 W130 A136	F128-G132 PolarHBondContact O-N 3.47Å; W130-G132 VanDerWaalsContact C-N 3.32Å; W130-G132 PolarHBondContact O-N 2.89Å; G132-A136 WeakPolarHBondContact O-CB 3.46Å; G132-A136 PolarHBondContact O-N 3.45Å
133	H	94.4	Very high	94	Very high	35 Å²	35	21.4 Å²	21.4	16%	0.162	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-46.7	175.7	-176.8	70.5	0	0	0	111.7	V129 W130 T135 A136 C137 F220 W224	V129-H133 WeakPolarHBondContact O-CB 3.09Å; V129-H133 PolarHBondContact O-N 3.37Å; W130-H133 PolarHBondContact O-N 3.1Å; W130-H133 VanDerWaalsContact O-N 3.14Å; H133-T135 PolarHBondContact O-N 3.36Å; H133-A136 PolarHBondContact O-N 2.75Å; H133-C137 WeakPolarHBondContact O-CB 3.48Å; H133-C137 PolarHBondContact O-N 3.04Å; H133-C137 PolarHBondContact O-SG 3.1Å; H133-F220 AromaticContact CD2-CE2 3.52Å; H133-F220 AromaticContact NE2-CD2 3.97Å; H133-F220 AromaticContact NE2-CE2 3.89Å; H133-W224 HydrophobicContact CB-CE3 3.96Å; H133-W224 HydrophobicContact CB-CZ3 3.95Å; H133-W224 AromaticContact CD2-CE3 3.56Å; H133-W224 AromaticContact CG-CE3 3.83Å
134	Y	95.7	Very high	94.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-46.9	176.6	179.7	-137.3	0	0	0	111.8	W130 L131 A136 C137 L138 W216 F220 Y511 N532	W130-Y134 WeakPolarHBondContact O-CB 3.34Å; W130-Y134 PolarHBondContact O-N 3.18Å; L131-Y134 PolarHBondContact O-N 2.64Å; Y134-A136 PolarHBondContact O-N 2.99Å; Y134-C137 PolarHBondContact O-N 2.77Å; Y134-L138 HydrophobicContact CD1-CD1 4.31Å; Y134-L138 HydrophobicContact CD2-CD1 4.14Å; Y134-L138 HydrophobicContact CD2-CG 4.08Å; Y134-L138 HydrophobicContact CE1-CD1 3.93Å; Y134-L138 HydrophobicContact CE2-CD1 3.73Å; Y134-L138 HydrophobicContact CE2-CD2 3.97Å; Y134-L138 HydrophobicContact CE2-CG 3.75Å; Y134-L138 HydrophobicContact CG-CD1 4.4Å; Y134-L138 WeakPolarHBondContact O-CG 3.24Å; Y134-L138 PolarHBondContact O-N 3.41Å; Y134-W216 HydrophobicContact CE2-CH2 4.15Å; Y134-F220 HydrophobicContact CD2-CE1 4.21Å; Y134-F220 HydrophobicContact CD2-CE2 4.08Å; Y134-F220 AromaticContact CD2-CZ 3.64Å; Y134-F220 HydrophobicContact CD2-CZ 3.64Å; Y134-F220 HydrophobicContact CG-CZ 4.21Å; Y134-Y511 AromaticContact CE2-CD2 3.85Å; Y134-Y511 HydrophobicContact CE2-CD2 3.85Å; Y134-Y511 WeakPolarHBondContact OH-CA 3.37Å; Y134-Y511 PolarHBondContact OH-N 2.9Å; Y134-N532 WeakPolarHBondContact CD1-ND2 3.32Å; Y134-N532 VanDerWaalsContact CE1-ND2 3.28Å; Y134-N532 WeakPolarHBondContact CE1-ND2 3.28Å
135	T	95	Very high	94.7	Very high	19 Å²	19	23 Å²	23	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-45.4	176.7	-52.2	0	0	0	0	111.8	L131 H133 C137 L138 T139 L529 N532 I533	L131-T135 WeakPolarHBondContact O-CB 3.22Å; L131-T135 PolarHBondContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 2.72Å; H133-T135 PolarHBondContact O-N 3.36Å; T135-C137 PolarHBondContact O-N 3.17Å; T135-L138 PolarHBondContact O-N 2.83Å; T135-T139 PolarHBondContact O-N 2.82Å; T135-T139 PolarHBondContact O-OG1 2.92Å; T135-L529 HydrophobicContact CG2-CD1 3.73Å; T135-L529 WeakPolarHBondContact O-CD1 3.36Å; T135-N532 HydrophobicContact CG2-CB 4.07Å; T135-N532 WeakPolarHBondContact OG1-CB 3.39Å; T135-I533 HydrophobicContact CG2-CG1 4.29Å
136	A	94.8	Very high	94.8	Very high	61 Å²	61	26 Å²	26	50%	0.504	16%	0.159	S	C	.	.	H	α-helix	trans	-64.3	-40.2	178.8	0	0	0	0	0	112.5	G132 H133 Y134 L138 T139 P140	G132-A136 WeakPolarHBondContact O-CB 3.46Å; G132-A136 PolarHBondContact O-N 3.45Å; H133-A136 PolarHBondContact O-N 2.75Å; Y134-A136 PolarHBondContact O-N 2.99Å; A136-L138 VanDerWaalsContact C-N 3.33Å; A136-T139 PolarHBondContact O-N 3.1Å; A136-P140 WeakPolarHBondContact O-CD 3.27Å
137	C	95.2	Very high	95	Very high	28 Å²	28	30.5 Å²	30.5	19%	0.189	18%	0.182	C	C	.	.	H	α-helix	trans	-72.2	-24.5	177.1	-71.9	0	0	0	0	113.2	H133 Y134 T135 P140 W216 F220	H133-C137 WeakPolarHBondContact O-CB 3.48Å; H133-C137 PolarHBondContact O-N 3.04Å; H133-C137 PolarHBondContact O-SG 3.1Å; Y134-C137 PolarHBondContact O-N 2.77Å; T135-C137 PolarHBondContact O-N 3.17Å; C137-P140 WeakPolarHBondContact O-CD 3.13Å; C137-W216 HydrophobicContact CB-CZ2 4.05Å; C137-W216 PolarHBondContact O-NE1 3.49Å; C137-F220 HydrophobicContact CB-CD2 3.66Å; C137-F220 HydrophobicContact CB-CE2 4.06Å
138	L	95.9	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-72.7	-27.7	173.5	-79.9	174.3	0	0	0	113.2	Y134 T135 A136 V141 S142 W216 V514 P525 A528 L529 N532	Y134-L138 HydrophobicContact CD1-CD1 4.31Å; Y134-L138 HydrophobicContact CD2-CD1 4.14Å; Y134-L138 HydrophobicContact CD2-CG 4.08Å; Y134-L138 HydrophobicContact CE1-CD1 3.93Å; Y134-L138 HydrophobicContact CE2-CD1 3.73Å; Y134-L138 HydrophobicContact CE2-CD2 3.97Å; Y134-L138 HydrophobicContact CE2-CG 3.75Å; Y134-L138 HydrophobicContact CG-CD1 4.4Å; Y134-L138 WeakPolarHBondContact O-CG 3.24Å; Y134-L138 PolarHBondContact O-N 3.41Å; T135-L138 PolarHBondContact O-N 2.83Å; A136-L138 VanDerWaalsContact C-N 3.33Å; L138-V141 HydrophobicContact CD2-CG2 4.12Å; L138-V141 WeakPolarHBondContact O-CG2 3.24Å; L138-V141 PolarHBondContact O-N 2.78Å; L138-S142 VanDerWaalsContact O-CB 3.31Å; L138-S142 WeakPolarHBondContact O-CB 3.17Å; L138-S142 PolarHBondContact O-N 2.69Å; L138-S142 PolarHBondContact O-OG 3.11Å; L138-W216 HydrophobicContact CD2-CH2 3.93Å; L138-W216 HydrophobicContact CD2-CZ2 4.12Å; L138-W216 HydrophobicContact CG-CZ2 4.48Å; L138-V514 HydrophobicContact CD2-CG1 4.08Å; L138-P525 HydrophobicContact CD2-CB 4.21Å; L138-A528 HydrophobicContact CD1-CB 4.06Å; L138-L529 HydrophobicContact CB-CB 4.42Å; L138-L529 HydrophobicContact CB-CD1 4.13Å; L138-N532 WeakPolarHBondContact CD1-ND2 3.4Å
139	T	95	Very high	95.1	Very high	59 Å²	59	31.7 Å²	31.7	36%	0.362	19%	0.19	S	C	.	.	H	α-helix	trans	-52.9	-55.6	-178.7	-55.3	0	0	0	0	114	T135 A136 V141 S142 I143	T135-T139 PolarHBondContact O-N 2.82Å; T135-T139 PolarHBondContact O-OG1 2.92Å; A136-T139 PolarHBondContact O-N 3.1Å; T139-V141 PolarHBondContact O-N 2.94Å; T139-S142 PolarHBondContact O-N 3.03Å; T139-I143 HydrophobicContact CG2-CD1 4.26Å; T139-I143 WeakPolarHBondContact O-CG1 3.2Å; T139-I143 PolarHBondContact O-N 2.93Å; T139-I143 VanDerWaalsContact O-N 3.16Å
140	P	95.8	Very high	95.1	Very high	69 Å²	69	34 Å²	34	45%	0.448	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-39.3	-178.5	24.5	-34.7	0	0	0	112.9	A136 C137 S142 I143 L144	A136-P140 WeakPolarHBondContact O-CD 3.27Å; C137-P140 WeakPolarHBondContact O-CD 3.13Å; P140-S142 VanDerWaalsContact C-N 3.34Å; P140-I143 PolarHBondContact O-N 2.9Å; P140-L144 WeakPolarHBondContact O-CG 3.33Å; P140-L144 PolarHBondContact O-N 3.22Å
141	V	96	Very high	95.1	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-29.2	179.6	-66.7	0	0	0	0	112.7	L138 T139 L144 G145 M213 W216 P525	L138-V141 HydrophobicContact CD2-CG2 4.12Å; L138-V141 WeakPolarHBondContact O-CG2 3.24Å; L138-V141 PolarHBondContact O-N 2.78Å; T139-V141 PolarHBondContact O-N 2.94Å; V141-L144 PolarHBondContact O-N 3.32Å; V141-G145 PolarHBondContact O-N 3.13Å; V141-M213 HydrophobicContact CB-CE 4.45Å; V141-M213 HydrophobicContact CB-SD 3.6Å; V141-M213 VanDerWaalsContact CB-SD 3.6Å; V141-M213 HydrophobicContact CG1-SD 3.57Å; V141-M213 VanDerWaalsContact CG1-SD 3.57Å; V141-M213 HydrophobicContact CG2-CE 4.49Å; V141-M213 HydrophobicContact CG2-SD 4.25Å; V141-W216 HydrophobicContact CG1-CB 4.27Å; V141-W216 HydrophobicContact CG1-CD2 4.03Å; V141-W216 HydrophobicContact CG1-CG 3.64Å; V141-W216 HydrophobicContact CG2-CZ2 4.2Å; V141-P525 HydrophobicContact CG2-CB 4.04Å
142	S	96.6	Very high	95.1	Very high	6 Å²	6	39 Å²	39	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-42.5	172.7	-58.5	0	0	0	0	111.2	L138 T139 P140 G145 V146 P525 A526	L138-S142 VanDerWaalsContact O-CB 3.31Å; L138-S142 WeakPolarHBondContact O-CB 3.17Å; L138-S142 PolarHBondContact O-N 2.69Å; L138-S142 PolarHBondContact O-OG 3.11Å; T139-S142 PolarHBondContact O-N 3.03Å; P140-S142 VanDerWaalsContact C-N 3.34Å; S142-G145 PolarHBondContact O-N 3.05Å; S142-V146 WeakPolarHBondContact O-CG2 2.87Å; S142-V146 PolarHBondContact O-N 2.91Å; S142-P525 VanDerWaalsContact OG-C 3.22Å; S142-P525 PolarHBondContact OG-O 3.19Å; S142-P525 VanDerWaalsContact OG-O 3.06Å; S142-A526 PolarHBondContact OG-N 2.84Å
143	I	96.5	Very high	95.1	Very high	98 Å²	98	44.6 Å²	44.6	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-49.2	175.3	-64.4	166.5	0	0	0	109.8	T139 P140 G145 V146 L147	T139-I143 HydrophobicContact CG2-CD1 4.26Å; T139-I143 WeakPolarHBondContact O-CG1 3.2Å; T139-I143 PolarHBondContact O-N 2.93Å; T139-I143 VanDerWaalsContact O-N 3.16Å; P140-I143 PolarHBondContact O-N 2.9Å; I143-G145 PolarHBondContact O-N 3.39Å; I143-V146 PolarHBondContact O-N 3.09Å; I143-L147 HydrophobicContact CG2-CD1 4Å; I143-L147 HydrophobicContact CG2-CG 4.41Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.41Å; I143-L147 PolarHBondContact O-N 2.96Å
144	L	95.6	Very high	95	Very high	79 Å²	79	51.9 Å²	51.9	41%	0.414	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-42.3	177.9	-69.9	174.2	0	0	0	112.6	P140 V141 L147 C148 F209	P140-L144 WeakPolarHBondContact O-CG 3.33Å; P140-L144 PolarHBondContact O-N 3.22Å; V141-L144 PolarHBondContact O-N 3.32Å; L144-L147 PolarHBondContact O-N 3.05Å; L144-C148 PolarHBondContact O-N 3.43Å; L144-F209 HydrophobicContact CB-CD2 4.16Å; L144-F209 HydrophobicContact CB-CE2 3.84Å
145	G	95.4	Very high	94.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-43.9	177.5	0	0	0	0	0	112.7	V141 S142 I143 C148 V149 P522	V141-G145 PolarHBondContact O-N 3.13Å; S142-G145 PolarHBondContact O-N 3.05Å; I143-G145 PolarHBondContact O-N 3.39Å; G145-C148 PolarHBondContact O-N 2.96Å; G145-V149 PolarHBondContact O-N 2.85Å; G145-P522 WeakPolarHBondContact CA-O 3.4Å
146	V	95.5	Very high	94.7	Very high	62 Å²	62	53.5 Å²	53.5	38%	0.376	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-43.9	173.8	171.6	0	0	0	0	111	S142 I143 C148 V149 V150 L523 A526	S142-V146 WeakPolarHBondContact O-CG2 2.87Å; S142-V146 PolarHBondContact O-N 2.91Å; I143-V146 PolarHBondContact O-N 3.09Å; V146-C148 VanDerWaalsContact C-N 3.33Å; V146-C148 PolarHBondContact O-N 2.83Å; V146-V149 PolarHBondContact O-N 3.32Å; V146-V149 VanDerWaalsContact O-N 3.16Å; V146-V150 HydrophobicContact CG1-CG2 4.23Å; V146-V150 WeakPolarHBondContact O-CG2 3.21Å; V146-V150 PolarHBondContact O-N 3.12Å; V146-L523 HydrophobicContact CG2-CD2 3.98Å; V146-A526 HydrophobicContact CG2-CB 4.08Å
147	L	95.3	Very high	94.3	Very high	100 Å²	100	58 Å²	58	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-39.4	177.6	-71.3	173.6	0	0	0	112.4	I143 L144 V149 V150 Y151	I143-L147 HydrophobicContact CG2-CD1 4Å; I143-L147 HydrophobicContact CG2-CG 4.41Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.41Å; I143-L147 PolarHBondContact O-N 2.96Å; L144-L147 PolarHBondContact O-N 3.05Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.34Å; L147-V150 PolarHBondContact O-N 3.42Å; L147-Y151 WeakPolarHBondContact O-CB 3.29Å; L147-Y151 PolarHBondContact O-N 3.05Å
148	C	94.4	Very high	94	Very high	8 Å²	8	63 Å²	63	5%	0.054	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-34.4	175.5	-81.9	0	0	0	0	113.2	L144 G145 V146 G152 C205 T206	L144-C148 PolarHBondContact O-N 3.43Å; G145-C148 PolarHBondContact O-N 2.96Å; V146-C148 VanDerWaalsContact C-N 3.33Å; V146-C148 PolarHBondContact O-N 2.83Å; C148-G152 PolarHBondContact O-N 3.33Å; C148-C205 WeakPolarHBondContact CA-SG 3.47Å; C148-C205 HydrophobicContact CB-CB 3.85Å; C148-C205 WeakPolarHBondContact CB-SG 3.37Å; C148-C205 WeakPolarHBondContact SG-CB 3.19Å; C148-C205 PolarHBondContact SG-O 2.86Å; C148-C205 VanDerWaalsContact SG-O 3.41Å; C148-C205 CovalentContact SG-SG 2.07Å; C148-C205 PolarHBondContact SG-SG 3.37Å; C148-T206 HydrophobicContact CB-CG2 4.37Å
149	V	93.6	Very high	93.6	Very high	18 Å²	18	63.7 Å²	63.7	11%	0.109	31%	0.314	C	S	.	.	H	α-helix	trans	-73.8	-39.6	175.3	176.9	0	0	0	0	111.7	G145 V146 L147 Y151 G152 F153 L200 F201 P522 L523	G145-V149 PolarHBondContact O-N 2.85Å; V146-V149 PolarHBondContact O-N 3.32Å; V146-V149 VanDerWaalsContact O-N 3.16Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.34Å; V149-Y151 VanDerWaalsContact C-N 3.29Å; V149-Y151 PolarHBondContact O-N 3.36Å; V149-G152 PolarHBondContact O-N 2.93Å; V149-F153 PolarHBondContact O-N 3.33Å; V149-L200 HydrophobicContact CG1-CD1 3.96Å; V149-L200 HydrophobicContact CG1-CG 4.24Å; V149-F201 HydrophobicContact CG1-CE1 4.33Å; V149-F201 HydrophobicContact CG2-CD1 4.21Å; V149-F201 HydrophobicContact CG2-CE1 4.25Å; V149-P522 HydrophobicContact CG2-CB 4.15Å; V149-P522 HydrophobicContact CG2-CG 3.44Å; V149-P522 VanDerWaalsContact CG2-CG 3.44Å; V149-L523 HydrophobicContact CB-CD2 4.18Å; V149-L523 HydrophobicContact CG2-CD1 4.4Å; V149-L523 HydrophobicContact CG2-CD2 3.8Å; V149-L523 HydrophobicContact CG2-CG 3.81Å
150	V	94.6	Very high	93.3	Very high	51 Å²	51	64.2 Å²	64.2	31%	0.309	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-41.8	173.8	172.4	0	0	0	0	110.5	V146 L147 F153 W154	V146-V150 HydrophobicContact CG1-CG2 4.23Å; V146-V150 WeakPolarHBondContact O-CG2 3.21Å; V146-V150 PolarHBondContact O-N 3.12Å; L147-V150 PolarHBondContact O-N 3.42Å; V150-F153 PolarHBondContact O-N 2.91Å; V150-W154 HydrophobicContact CG1-CD2 3.96Å; V150-W154 HydrophobicContact CG1-CE3 3.92Å; V150-W154 HydrophobicContact CG1-CH2 3.67Å; V150-W154 HydrophobicContact CG1-CZ2 3.69Å; V150-W154 HydrophobicContact CG1-CZ3 3.78Å; V150-W154 PolarHBondContact O-N 2.94Å
151	Y	94.7	Very high	92.9	Very high	109 Å²	109	61 Å²	61	43%	0.427	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-50.6	171.7	175.5	-98.7	0	0	0	111.4	L147 V149 F153 W154 T155 C205	L147-Y151 WeakPolarHBondContact O-CB 3.29Å; L147-Y151 PolarHBondContact O-N 3.05Å; V149-Y151 VanDerWaalsContact C-N 3.29Å; V149-Y151 PolarHBondContact O-N 3.36Å; Y151-F153 VanDerWaalsContact C-N 3.26Å; Y151-F153 PolarHBondContact O-N 3.37Å; Y151-W154 PolarHBondContact O-N 2.94Å; Y151-W154 VanDerWaalsContact O-N 3.13Å; Y151-T155 HydrophobicContact CD2-CG2 4.14Å; Y151-T155 HydrophobicContact CE1-CG2 4.16Å; Y151-T155 HydrophobicContact CE2-CG2 3.66Å; Y151-T155 PolarHBondContact O-N 3.5Å; Y151-T155 PolarHBondContact O-OG1 3.1Å; Y151-C205 HydrophobicContact CD1-CB 3.89Å; Y151-C205 HydrophobicContact CE1-CB 4.36Å
152	G	92.9	Very high	92.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-37.5	176.8	0	0	0	0	0	113.2	C148 V149 M156 N203	C148-G152 PolarHBondContact O-N 3.33Å; V149-G152 PolarHBondContact O-N 2.93Å; G152-M156 WeakPolarHBondContact O-CB 3.3Å; G152-M156 PolarHBondContact O-N 3.02Å; G152-N203 WeakPolarHBondContact CA-ND2 3.46Å
153	F	93.3	Very high	92.3	Very high	126 Å²	126	66 Å²	66	55%	0.553	31%	0.314	S	S	*	.	H	α-helix	trans	-66.1	-43.6	175.9	-178.5	-98.5	0	0	0	112.3	V149 V150 Y151 L200	V149-F153 PolarHBondContact O-N 3.33Å; V150-F153 PolarHBondContact O-N 2.91Å; Y151-F153 VanDerWaalsContact C-N 3.26Å; Y151-F153 PolarHBondContact O-N 3.37Å; F153-L200 HydrophobicContact CB-CD1 3.78Å
154	W	93.9	Very high	92	Very high	189 Å²	189	62.8 Å²	62.8	72%	0.716	30%	0.298	S	S	*	.	H	α-helix	trans	-68.6	-39.4	178.2	-71.8	-27.5	0	0	0	112.8	V150 Y151	V150-W154 HydrophobicContact CG1-CD2 3.96Å; V150-W154 HydrophobicContact CG1-CE3 3.92Å; V150-W154 HydrophobicContact CG1-CH2 3.67Å; V150-W154 HydrophobicContact CG1-CZ2 3.69Å; V150-W154 HydrophobicContact CG1-CZ3 3.78Å; V150-W154 PolarHBondContact O-N 2.94Å; Y151-W154 PolarHBondContact O-N 2.94Å; Y151-W154 VanDerWaalsContact O-N 3.13Å
155	T	93.1	Very high	91.7	Very high	15 Å²	15	59 Å²	59	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-87	-3.8	-179.3	62.7	0	0	0	0	114	Y151 Q157 E158 D159 Y199	Y151-T155 HydrophobicContact CD2-CG2 4.14Å; Y151-T155 HydrophobicContact CE1-CG2 4.16Å; Y151-T155 HydrophobicContact CE2-CG2 3.66Å; Y151-T155 PolarHBondContact O-N 3.5Å; Y151-T155 PolarHBondContact O-OG1 3.1Å; T155-Q157 PolarHBondContact O-N 3.13Å; T155-Q157 VanDerWaalsContact O-N 3.17Å; T155-E158 WeakPolarHBondContact O-CA 3.19Å; T155-E158 WeakPolarHBondContact O-CB 3.47Å; T155-E158 PolarHBondContact O-N 3.08Å; T155-D159 PolarHBondContact O-N 2.79Å; T155-Y199 WeakPolarHBondContact CB-OH 3.17Å; T155-Y199 WeakPolarHBondContact OG1-CE1 3.48Å; T155-Y199 PolarHBondContact OG1-OH 2.75Å
156	M	90.1	Very high	91.5	Very high	37 Å²	37	61.2 Å²	61.2	18%	0.182	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.7	-179.1	-172.6	179.1	63.3	0	0	113.1	G152 E158 K196 Y199	G152-M156 WeakPolarHBondContact O-CB 3.3Å; G152-M156 PolarHBondContact O-N 3.02Å; M156-E158 VanDerWaalsContact C-N 3.28Å; M156-K196 HydrophobicContact CG-CB 4.39Å; M156-K196 HydrophobicContact CG-CG 4.27Å; M156-K196 HydrophobicContact SD-CB 3.74Å; M156-K196 HydrophobicContact SD-CD 4.35Å; M156-K196 HydrophobicContact SD-CG 4.05Å; M156-Y199 HydrophobicContact CB-CD1 4.07Å; M156-Y199 HydrophobicContact CB-CE1 4.35Å; M156-Y199 HydrophobicContact CG-CD1 4.22Å
157	Q	87	Confident	91.1	Very high	155 Å²	155	61.2 Å²	61.2	72%	0.724	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.4	176.2	-64.7	-170.6	4.9	0	0	113.1	T155 K163	T155-Q157 PolarHBondContact O-N 3.13Å; T155-Q157 VanDerWaalsContact O-N 3.17Å; Q157-K163 WeakPolarHBondContact O-CE 3.19Å; Q157-K163 PolarHBondContact O-NZ 3.14Å
158	E	88	Confident	90.6	Very high	135 Å²	135	57.4 Å²	57.4	63%	0.631	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-19.1	-179.3	-64.1	-176.8	172.8	0	0	112.6	T155 M156 L160	T155-E158 WeakPolarHBondContact O-CA 3.19Å; T155-E158 WeakPolarHBondContact O-CB 3.47Å; T155-E158 PolarHBondContact O-N 3.08Å; M156-E158 VanDerWaalsContact C-N 3.28Å; E158-L160 PolarHBondContact O-N 3.47Å
159	D	87.5	Confident	90.1	Very high	14 Å²	14	62.1 Å²	62.1	8%	0.075	32%	0.321	C	S	.	.			trans	-62.1	118	-179.7	-172.5	59.6	0	0	0	112.7	T155 P161 S162 K163 Y199 R589	T155-D159 PolarHBondContact O-N 2.79Å; D159-P161 WeakPolarHBondContact OD1-CD 3.36Å; D159-S162 WeakPolarHBondContact OD2-CB 3.45Å; D159-S162 PolarHBondContact OD2-N 3.39Å; D159-S162 PolarHBondContact OD2-OG 3.1Å; D159-K163 WeakPolarHBondContact O-CB 3.22Å; D159-K163 WeakPolarHBondContact O-CG 3.2Å; D159-K163 PolarHBondContact O-N 3.01Å; D159-K163 VanDerWaalsContact O-N 3.11Å; D159-Y199 HydrophobicContact CB-CD1 4.31Å; D159-Y199 HydrophobicContact CB-CD2 3.66Å; D159-Y199 HydrophobicContact CB-CE1 4.19Å; D159-Y199 HydrophobicContact CB-CE2 3.5Å; D159-Y199 VanDerWaalsContact CB-CE2 3.5Å; D159-Y199 HydrophobicContact CB-CG 4.05Å; D159-Y199 WeakPolarHBondContact OD1-CD2 3.36Å; D159-Y199 WeakPolarHBondContact OD1-CE2 2.96Å; D159-R589 IonicContact OD1-NH1 2.95Å
160	L	89.1	Confident	89.7	Confident	69 Å²	69	61.5 Å²	61.5	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-49.7	-178.8	-82	81	0	0	0	112.5	E158 S162 K163 D164 L602 T603	E158-L160 PolarHBondContact O-N 3.47Å; L160-S162 PolarHBondContact O-N 3.38Å; L160-K163 WeakPolarHBondContact O-CB 3.35Å; L160-K163 PolarHBondContact O-N 2.78Å; L160-K163 VanDerWaalsContact O-N 3.16Å; L160-D164 PolarHBondContact O-N 3.18Å; L160-L602 HydrophobicContact CB-CB 4.36Å; L160-T603 HydrophobicContact CD2-CG2 3.68Å
161	P	87.7	Confident	89.4	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-56.3	-45.2	177.7	-27.1	35.1	0	0	0	113.3	D159 K163 D164 I165 L602 Y605 L606	D159-P161 WeakPolarHBondContact OD1-CD 3.36Å; P161-K163 VanDerWaalsContact C-N 3.34Å; P161-K163 PolarHBondContact O-N 2.91Å; P161-D164 PolarHBondContact O-N 2.81Å; P161-I165 WeakPolarHBondContact O-CG1 3.45Å; P161-I165 PolarHBondContact O-N 3.21Å; P161-I165 VanDerWaalsContact O-N 3.15Å; P161-L602 HydrophobicContact CG-CB 4.38Å; P161-L602 HydrophobicContact CG-CD1 4.14Å; P161-Y605 HydrophobicContact CB-CD1 4.33Å; P161-Y605 HydrophobicContact CG-CD1 4.04Å; P161-L606 HydrophobicContact CB-CD1 4.46Å; P161-L606 WeakPolarHBondContact O-CD1 3.2Å
162	S	89.7	Confident	89.1	Confident	5 Å²	5	62.2 Å²	62.2	4%	0.035	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-38.4	177.9	-60.3	0	0	0	0	112.4	D159 L160 C166	D159-S162 WeakPolarHBondContact OD2-CB 3.45Å; D159-S162 PolarHBondContact OD2-N 3.39Å; D159-S162 PolarHBondContact OD2-OG 3.1Å; L160-S162 PolarHBondContact O-N 3.38Å; S162-C166 WeakPolarHBondContact O-CB 3.42Å; S162-C166 PolarHBondContact O-N 3.39Å; S162-C166 VanDerWaalsContact O-N 3.09Å; S162-C166 PolarHBondContact O-SG 2.94Å
163	K	90.9	Very high	88.8	Confident	114 Å²	114	64 Å²	64	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-43.9	173.4	-83.8	173.9	161.1	153.9	0	112.3	Q157 D159 L160 P161 I165 C166 G167 G168	Q157-K163 WeakPolarHBondContact O-CE 3.19Å; Q157-K163 PolarHBondContact O-NZ 3.14Å; D159-K163 WeakPolarHBondContact O-CB 3.22Å; D159-K163 WeakPolarHBondContact O-CG 3.2Å; D159-K163 PolarHBondContact O-N 3.01Å; D159-K163 VanDerWaalsContact O-N 3.11Å; L160-K163 WeakPolarHBondContact O-CB 3.35Å; L160-K163 PolarHBondContact O-N 2.78Å; L160-K163 VanDerWaalsContact O-N 3.16Å; P161-K163 VanDerWaalsContact C-N 3.34Å; P161-K163 PolarHBondContact O-N 2.91Å; K163-I165 VanDerWaalsContact C-N 3.27Å; K163-I165 PolarHBondContact O-N 3.08Å; K163-C166 PolarHBondContact O-N 3.43Å; K163-G167 PolarHBondContact O-N 2.97Å; K163-G168 PolarHBondContact O-N 3.37Å
164	D	89.4	Confident	88.6	Confident	32 Å²	32	60.2 Å²	60.2	17%	0.171	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-37	-178.8	-80	-7.9	0	0	0	111.7	L160 P161 G168 A170 S171 L606	L160-D164 PolarHBondContact O-N 3.18Å; P161-D164 PolarHBondContact O-N 2.81Å; D164-G168 CarbonylContact O-C 3.59Å; D164-G168 WeakPolarHBondContact O-CA 3.02Å; D164-G168 PolarHBondContact O-N 3.46Å; D164-G168 VanDerWaalsContact O-N 3.07Å; D164-A170 HydrophobicContact CB-CB 4.13Å; D164-S171 PolarHBondContact O-N 2.98Å; D164-L606 HydrophobicContact CB-CD1 3.79Å
165	I	89.3	Confident	88.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-71	-46.2	174.5	-64.5	171.2	0	0	0	111.4	P161 K163 G167 S171 L188 G189 C192 A195 N418 L606	P161-I165 WeakPolarHBondContact O-CG1 3.45Å; P161-I165 PolarHBondContact O-N 3.21Å; P161-I165 VanDerWaalsContact O-N 3.15Å; K163-I165 VanDerWaalsContact C-N 3.27Å; K163-I165 PolarHBondContact O-N 3.08Å; I165-G167 PolarHBondContact O-N 3.27Å; I165-S171 WeakPolarHBondContact O-CB 3.48Å; I165-L188 HydrophobicContact CG1-CD2 4.22Å; I165-L188 HydrophobicContact CG1-CG 4.33Å; I165-L188 HydrophobicContact CG2-CG 4.34Å; I165-L188 WeakPolarHBondContact CG2-O 3.44Å; I165-G189 VanDerWaalsContact O-CA 3.31Å; I165-G189 WeakPolarHBondContact O-CA 3.45Å; I165-C192 HydrophobicContact CG2-CB 4.49Å; I165-A195 HydrophobicContact CD1-CB 3.78Å; I165-A195 HydrophobicContact CG2-CB 4.3Å; I165-N418 WeakPolarHBondContact CD1-OD1 3.15Å; I165-L606 HydrophobicContact CD1-CD1 3.91Å; I165-L606 HydrophobicContact CD1-CD2 4.14Å; I165-L606 HydrophobicContact CG1-CD1 3.41Å; I165-L606 VanDerWaalsContact CG1-CD1 3.41Å; I165-L606 HydrophobicContact CG1-CD2 4.43Å
166	C	90.8	Very high	87.9	Confident	45 Å²	45	51.2 Å²	51.2	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-75.8	-21.8	-171.3	-72.2	0	0	0	0	114.7	S162 K163 C192	S162-C166 WeakPolarHBondContact O-CB 3.42Å; S162-C166 PolarHBondContact O-N 3.39Å; S162-C166 VanDerWaalsContact O-N 3.09Å; S162-C166 PolarHBondContact O-SG 2.94Å; K163-C166 PolarHBondContact O-N 3.43Å; C166-C192 HydrophobicContact CB-CB 3.95Å; C166-C192 WeakPolarHBondContact CB-SG 3.29Å; C166-C192 VanDerWaalsContact SG-CA 3.57Å; C166-C192 WeakPolarHBondContact SG-CB 3.28Å; C166-C192 CovalentContact SG-SG 2.03Å; C166-C192 PolarHBondContact SG-SG 3.16Å
167	G	86.9	Confident	87.4	Confident	63 Å²	63	49.9 Å²	49.9	65%	0.649	28%	0.278	S	S	*	.	H	α-helix	trans	-172.4	9.7	178.7	0	0	0	0	0	115.4	K163 I165	K163-G167 PolarHBondContact O-N 2.97Å; I165-G167 PolarHBondContact O-N 3.27Å
168	G	85.4	Confident	86.8	Confident	19 Å²	19	44.7 Å²	44.7	20%	0.196	26%	0.255	C	S	.	.	S	Bend	trans	-90.1	-170.4	174.4	0	0	0	0	0	112.7	K163 D164 A170 S171	K163-G168 PolarHBondContact O-N 3.37Å; D164-G168 CarbonylContact O-C 3.59Å; D164-G168 WeakPolarHBondContact O-CA 3.02Å; D164-G168 PolarHBondContact O-N 3.46Å; D164-G168 VanDerWaalsContact O-N 3.07Å; G168-A170 PolarHBondContact O-N 3.5Å; G168-A170 VanDerWaalsContact O-N 3.17Å; G168-S171 VanDerWaalsContact O-CB 3.29Å; G168-S171 WeakPolarHBondContact O-CB 3.44Å; G168-S171 PolarHBondContact O-N 2.95Å; G168-S171 PolarHBondContact O-OG 3.14Å
169	P	84.2	Confident	86.1	Confident	107 Å²	107	38.5 Å²	38.5	70%	0.695	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63	-24.2	-176.9	26	-34.6	0	0	0	112.9	S171	P169-S171 VanDerWaalsContact C-N 3.3Å; P169-S171 PolarHBondContact O-N 3.42Å
170	A	85.8	Confident	85.3	Confident	6 Å²	6	40.5 Å²	40.5	5%	0.05	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-73.1	-21.8	177.5	0	0	0	0	0	112.9	D164 G168 E172 L173 L188 L606	D164-A170 HydrophobicContact CB-CB 4.13Å; G168-A170 PolarHBondContact O-N 3.5Å; G168-A170 VanDerWaalsContact O-N 3.17Å; A170-E172 PolarHBondContact O-N 2.78Å; A170-L173 HydrophobicContact CB-CD1 4.03Å; A170-L173 WeakPolarHBondContact O-CB 3.39Å; A170-L173 WeakPolarHBondContact O-CG 3.3Å; A170-L173 PolarHBondContact O-N 3.43Å; A170-L173 VanDerWaalsContact O-N 3.12Å; A170-L188 HydrophobicContact CB-CD2 4.3Å; A170-L606 HydrophobicContact CB-CB 4.15Å; A170-L606 HydrophobicContact CB-CD1 3.97Å
171	S	88.1	Confident	84.3	Confident	25 Å²	25	41.9 Å²	41.9	18%	0.175	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.4	-179	70.4	0	0	0	0	113.6	D164 I165 G168 P169 G189	D164-S171 PolarHBondContact O-N 2.98Å; I165-S171 WeakPolarHBondContact O-CB 3.48Å; G168-S171 VanDerWaalsContact O-CB 3.29Å; G168-S171 WeakPolarHBondContact O-CB 3.44Å; G168-S171 PolarHBondContact O-N 2.95Å; G168-S171 PolarHBondContact O-OG 3.14Å; P169-S171 VanDerWaalsContact C-N 3.3Å; P169-S171 PolarHBondContact O-N 3.42Å; S171-G189 PolarHBondContact O-N 2.97Å; S171-G189 VanDerWaalsContact O-N 3.14Å
172	E	88.2	Confident	83.4	Confident	150 Å²	150	44.4 Å²	44.4	70%	0.701	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-86.9	-6.4	-180	-61.8	-170.8	160.4	0	0	113.6	A170 M174	A170-E172 PolarHBondContact O-N 2.78Å; E172-M174 PolarHBondContact O-N 3.27Å
173	L	86.9	Confident	82.8	Confident	36 Å²	36	45.2 Å²	45.2	19%	0.188	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-64.5	128.7	178.1	-66.5	172.8	0	0	0	110.6	A170 L188 L610 R634	A170-L173 HydrophobicContact CB-CD1 4.03Å; A170-L173 WeakPolarHBondContact O-CB 3.39Å; A170-L173 WeakPolarHBondContact O-CG 3.3Å; A170-L173 PolarHBondContact O-N 3.43Å; A170-L173 VanDerWaalsContact O-N 3.12Å; L173-L188 PolarHBondContact O-N 3.34Å; L173-L610 HydrophobicContact CD1-CD1 4.01Å; L173-R634 HydrophobicContact CD2-CG 4.41Å
174	M	88.1	Confident	82.1	Confident	48 Å²	48	44 Å²	44	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.7	177.3	-64	-62.1	-62.6	0	0	109.9	E172 F185 K187 L630 C633 R634	E172-M174 PolarHBondContact O-N 3.27Å; M174-F185 HydrophobicContact CE-CB 3.63Å; M174-K187 HydrophobicContact SD-CG 3.66Å; M174-L630 HydrophobicContact CB-CD1 4.22Å; M174-L630 HydrophobicContact CB-CD2 3.97Å; M174-L630 HydrophobicContact CG-CD1 3.94Å; M174-L630 HydrophobicContact CG-CD2 4.49Å; M174-C633 CarbonylContact O-C 3.56Å; M174-C633 WeakPolarHBondContact O-CA 3.4Å; M174-R634 PolarHBondContact O-N 3.25Å
175	M	86.8	Confident	81.7	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.6	179	-60.2	-61.9	-65.6	0	0	110.7	F185 W186 L188 P417 L610 R634	M175-F185 WeakPolarHBondContact O-CD1 3.3Å; M175-W186 HydrophobicContact CB-CD2 3.79Å; M175-W186 HydrophobicContact CB-CE3 4.31Å; M175-W186 HydrophobicContact CB-CG 4.24Å; M175-W186 HydrophobicContact CB-CH2 4.21Å; M175-W186 HydrophobicContact CB-CZ2 3.64Å; M175-W186 HydrophobicContact CE-CZ2 4.39Å; M175-W186 HydrophobicContact CG-CD2 4.17Å; M175-W186 HydrophobicContact CG-CE3 4.19Å; M175-W186 HydrophobicContact CG-CH2 3.86Å; M175-W186 HydrophobicContact CG-CZ2 3.81Å; M175-W186 HydrophobicContact CG-CZ3 4.03Å; M175-W186 PolarHBondContact N-O 3.16Å; M175-L188 HydrophobicContact CG-CB 4.13Å; M175-L188 HydrophobicContact CG-CD1 4.26Å; M175-L188 HydrophobicContact SD-CB 4.38Å; M175-L188 HydrophobicContact SD-CD1 4.18Å; M175-P417 HydrophobicContact CE-CB 4.23Å; M175-P417 HydrophobicContact CE-CG 3.39Å; M175-L610 HydrophobicContact CE-CD2 3.86Å; M175-L610 HydrophobicContact SD-CD1 4.18Å; M175-L610 HydrophobicContact SD-CD2 4.33Å; M175-R634 WeakPolarHBondContact CA-O 3.31Å; M175-R634 HydrophobicContact SD-CB 3.85Å
176	C	85.3	Confident	81.5	Confident	8 Å²	8	46.5 Å²	46.5	5%	0.054	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-67	147.1	175	-53.1	0	0	0	0	110.5	W186 P400 C633 R634	C176-W186 PolarHBondContact O-NE1 3.33Å; C176-P400 HydrophobicContact CB-CB 3.84Å; C176-P400 HydrophobicContact CB-CG 4.2Å; C176-C633 HydrophobicContact CB-CB 4.02Å; C176-C633 WeakPolarHBondContact CB-SG 3.36Å; C176-C633 WeakPolarHBondContact SG-CB 3.43Å; C176-C633 CovalentContact SG-SG 2.05Å; C176-C633 PolarHBondContact SG-SG 2.97Å; C176-R634 PolarHBondContact N-O 2.96Å; C176-R634 PolarHBondContact SG-O 3.46Å; C176-R634 VanDerWaalsContact SG-O 3.42Å
177	P	81	Confident	81.3	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.058	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-66.9	146.5	178.8	27.4	-34.6	0	0	0	111.6	C179 C183 F185 F618	P177-C179 PolarHBondContact O-N 3.1Å; P177-C183 HydrophobicContact CB-CB 3.79Å; P177-F185 HydrophobicContact CG-CE1 4.43Å; P177-F185 HydrophobicContact CG-CZ 4.43Å; P177-F618 HydrophobicContact CG-CE1 4.39Å; P177-F618 HydrophobicContact CG-CZ 4.27Å
178	N	73.7	Confident	81.4	Confident	46 Å²	46	47.2 Å²	47.2	25%	0.246	27%	0.267	C	S	.	.	S	Bend	trans	-78.2	-6.4	177.7	-71.1	-12.8	0	0	0	113.4	H310 R411	N178-H310 PolarHBondContact O-CE1 2.98Å; N178-R411 WeakPolarHBondContact O-CD 3.42Å
179	C	74.1	Confident	81.5	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.034	27%	0.27	C	S	.	.	S	Bend	trans	-131.7	154.2	179.3	88.9	0	0	0	0	112	P177 V181 C183 H310	P177-C179 PolarHBondContact O-N 3.1Å; C179-V181 PolarHBondContact SG-O 3.13Å; C179-C183 HydrophobicContact CB-CB 4.12Å; C179-C183 WeakPolarHBondContact CB-SG 3.39Å; C179-C183 WeakPolarHBondContact SG-CB 3.45Å; C179-C183 PolarHBondContact SG-N 3.01Å; C179-C183 VanDerWaalsContact SG-N 3.4Å; C179-C183 CovalentContact SG-SG 2.01Å; C179-C183 PolarHBondContact SG-SG 3.37Å; C179-H310 WeakPolarHBondContact CB-CE1 3.26Å; C179-H310 WeakPolarHBondContact CB-ND1 2.83Å
180	D	69	Low	81.6	Confident	56 Å²	56	45 Å²	45	30%	0.299	26%	0.255	S	S	.	.	S	Bend	trans	-78.2	-26.8	-174.3	-60.1	-24	0	0	0	112.6	R411	D180-R411 IonicContact OD1-NH1 3.45Å; D180-R411 PolarHBondContact OD1-NH1 3.46Å
181	V	69.1	Low	81.6	Confident	98 Å²	98	45.3 Å²	45.3	59%	0.594	26%	0.257	S	S	*	.	S	Bend	trans	-139.6	127	-176.3	-174.5	0	0	0	0	111.4	C179 R314	C179-V181 PolarHBondContact SG-O 3.13Å; V181-R314 PolarHBondContact O-NE 3.42Å; V181-R314 PolarHBondContact O-NH2 3.32Å
182	G	69.2	Low	81.6	Confident	55 Å²	55	45.3 Å²	45.3	57%	0.567	26%	0.257	S	S	*	.	S	Bend	trans	83.7	11.8	171.7	0	0	0	0	0	115.7
183	C	75.4	Confident	81.6	Confident	22 Å²	22	43.2 Å²	43.2	15%	0.149	26%	0.255	C	S	.	.			trans	-104.2	137.1	170.5	-63.8	0	0	0	0	110.5	P177 C179	P177-C183 HydrophobicContact CB-CB 3.79Å; C179-C183 HydrophobicContact CB-CB 4.12Å; C179-C183 WeakPolarHBondContact CB-SG 3.39Å; C179-C183 WeakPolarHBondContact SG-CB 3.45Å; C179-C183 PolarHBondContact SG-N 3.01Å; C179-C183 VanDerWaalsContact SG-N 3.4Å; C179-C183 CovalentContact SG-SG 2.01Å; C179-C183 PolarHBondContact SG-SG 3.37Å
184	D	76.9	Confident	81.7	Confident	87 Å²	87	43.3 Å²	43.3	47%	0.465	25%	0.253	S	S	.	.			trans	-84.3	154.9	173.7	-68.8	-31	0	0	0	111.1	R321	D184-R321 IonicContact OD2-CZ 3.46Å; D184-R321 IonicContact OD2-NH1 3.4Å; D184-R321 PolarHBondContact OD2-NH1 3.46Å
185	F	81.6	Confident	81.7	Confident	30 Å²	30	41.1 Å²	41.1	13%	0.132	24%	0.242	C	C	.	.			trans	-65.6	144.1	167.1	-62.7	-99.2	0	0	0	109.4	M174 M175 P177 P615 F618 A627 L630 C633	M174-F185 HydrophobicContact CE-CB 3.63Å; M175-F185 WeakPolarHBondContact O-CD1 3.3Å; P177-F185 HydrophobicContact CG-CE1 4.43Å; P177-F185 HydrophobicContact CG-CZ 4.43Å; F185-P615 HydrophobicContact CE1-CB 4.02Å; F185-P615 HydrophobicContact CZ-CB 3.94Å; F185-F618 HydrophobicContact CZ-CD2 4.45Å; F185-A627 HydrophobicContact CE2-CB 3.46Å; F185-A627 VanDerWaalsContact CE2-CB 3.46Å; F185-A627 HydrophobicContact CZ-CB 3.76Å; F185-L630 HydrophobicContact CD1-CD2 3.67Å; F185-L630 HydrophobicContact CE1-CD2 3.91Å; F185-L630 HydrophobicContact CG-CD2 4.15Å; F185-C633 HydrophobicContact CD1-CB 4Å; F185-C633 HydrophobicContact CE1-CB 3.86Å
186	W	84.4	Confident	81.9	Confident	55 Å²	55	45 Å²	45	21%	0.208	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.2	-176.5	61	-81.3	0	0	0	110.7	M175 C176 L188 S191 P417	M175-W186 HydrophobicContact CB-CD2 3.79Å; M175-W186 HydrophobicContact CB-CE3 4.31Å; M175-W186 HydrophobicContact CB-CG 4.24Å; M175-W186 HydrophobicContact CB-CH2 4.21Å; M175-W186 HydrophobicContact CB-CZ2 3.64Å; M175-W186 HydrophobicContact CE-CZ2 4.39Å; M175-W186 HydrophobicContact CG-CD2 4.17Å; M175-W186 HydrophobicContact CG-CE3 4.19Å; M175-W186 HydrophobicContact CG-CH2 3.86Å; M175-W186 HydrophobicContact CG-CZ2 3.81Å; M175-W186 HydrophobicContact CG-CZ3 4.03Å; M175-W186 PolarHBondContact N-O 3.16Å; C176-W186 PolarHBondContact O-NE1 3.33Å; W186-L188 HydrophobicContact CH2-CD1 4.3Å; W186-L188 HydrophobicContact CZ3-CD1 4.25Å; W186-S191 VanDerWaalsContact CZ3-OG 3.28Å; W186-S191 WeakPolarHBondContact CZ3-OG 3.33Å; W186-P417 HydrophobicContact CH2-CG 3.77Å; W186-P417 HydrophobicContact CZ2-CG 4.23Å
187	K	87.5	Confident	82	Confident	124 Å²	124	46.2 Å²	46.2	54%	0.539	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.2	178.1	-70.1	-175.4	177.1	-171.3	0	109.5	M174 G189 S190	M174-K187 HydrophobicContact SD-CG 3.66Å; K187-G189 PolarHBondContact O-N 3.14Å; K187-S190 PolarHBondContact O-N 3.35Å; K187-S190 PolarHBondContact O-OG 3.38Å
188	L	87.9	Confident	82.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.8	-30.3	179.6	-174.2	60.5	0	0	0	112.8	I165 A170 L173 M175 W186 S190 S191 P417 L610	I165-L188 HydrophobicContact CG1-CD2 4.22Å; I165-L188 HydrophobicContact CG1-CG 4.33Å; I165-L188 HydrophobicContact CG2-CG 4.34Å; I165-L188 WeakPolarHBondContact CG2-O 3.44Å; A170-L188 HydrophobicContact CB-CD2 4.3Å; L173-L188 PolarHBondContact O-N 3.34Å; M175-L188 HydrophobicContact CG-CB 4.13Å; M175-L188 HydrophobicContact CG-CD1 4.26Å; M175-L188 HydrophobicContact SD-CB 4.38Å; M175-L188 HydrophobicContact SD-CD1 4.18Å; W186-L188 HydrophobicContact CH2-CD1 4.3Å; W186-L188 HydrophobicContact CZ3-CD1 4.25Å; L188-S190 PolarHBondContact O-N 3.23Å; L188-S190 VanDerWaalsContact O-N 3.12Å; L188-S191 PolarHBondContact O-N 2.68Å; L188-P417 HydrophobicContact CD1-CB 3.98Å; L188-P417 HydrophobicContact CD1-CG 3.84Å; L188-L610 HydrophobicContact CD2-CD1 4.06Å
189	G	88.3	Confident	83.3	Confident	25 Å²	25	45 Å²	45	26%	0.258	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-58.8	-21.1	176.6	0	0	0	0	0	115.7	I165 S171 K187 S191 C192	I165-G189 VanDerWaalsContact O-CA 3.31Å; I165-G189 WeakPolarHBondContact O-CA 3.45Å; S171-G189 PolarHBondContact O-N 2.97Å; S171-G189 VanDerWaalsContact O-N 3.14Å; K187-G189 PolarHBondContact O-N 3.14Å; G189-S191 PolarHBondContact O-N 2.92Å; G189-C192 WeakPolarHBondContact O-CB 3.16Å; G189-C192 PolarHBondContact O-N 2.93Å
190	S	86.1	Confident	84.1	Confident	53 Å²	53	46.3 Å²	46.3	37%	0.371	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.3	-23	174.4	61.9	0	0	0	0	113.2	K187 L188 C192	K187-S190 PolarHBondContact O-N 3.35Å; K187-S190 PolarHBondContact O-OG 3.38Å; L188-S190 PolarHBondContact O-N 3.23Å; L188-S190 VanDerWaalsContact O-N 3.12Å; S190-C192 VanDerWaalsContact C-N 3.26Å; S190-C192 PolarHBondContact O-N 3.1Å
191	S	85.7	Confident	85	Confident	13 Å²	13	45 Å²	45	9%	0.091	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-84.9	12.1	176.7	-67.4	0	0	0	0	113.5	W186 L188 G189 T193 Y194 A195 D416	W186-S191 VanDerWaalsContact CZ3-OG 3.28Å; W186-S191 WeakPolarHBondContact CZ3-OG 3.33Å; L188-S191 PolarHBondContact O-N 2.68Å; G189-S191 PolarHBondContact O-N 2.92Å; S191-T193 VanDerWaalsContact C-N 3.33Å; S191-T193 PolarHBondContact O-N 3.25Å; S191-Y194 WeakPolarHBondContact O-CB 3.34Å; S191-Y194 PolarHBondContact O-N 3.24Å; S191-Y194 VanDerWaalsContact O-N 3.13Å; S191-A195 PolarHBondContact O-N 2.84Å; S191-D416 PolarHBondContact OG-OD2 2.93Å
192	C	89.3	Confident	85.9	Confident	25 Å²	25	41 Å²	41	17%	0.169	23%	0.234	C	C	.	.	H	α-helix	trans	-55.7	-41.2	-179.3	168.9	0	0	0	0	113.9	I165 C166 G189 S190 A195 K196	I165-C192 HydrophobicContact CG2-CB 4.49Å; C166-C192 HydrophobicContact CB-CB 3.95Å; C166-C192 WeakPolarHBondContact CB-SG 3.29Å; C166-C192 VanDerWaalsContact SG-CA 3.57Å; C166-C192 WeakPolarHBondContact SG-CB 3.28Å; C166-C192 CovalentContact SG-SG 2.03Å; C166-C192 PolarHBondContact SG-SG 3.16Å; G189-C192 WeakPolarHBondContact O-CB 3.16Å; G189-C192 PolarHBondContact O-N 2.93Å; S190-C192 VanDerWaalsContact C-N 3.26Å; S190-C192 PolarHBondContact O-N 3.1Å; C192-A195 PolarHBondContact O-N 3.46Å; C192-K196 WeakPolarHBondContact O-CG 3.48Å; C192-K196 PolarHBondContact O-N 2.99Å
193	T	87.3	Confident	86.9	Confident	107 Å²	107	38.6 Å²	38.6	66%	0.656	21%	0.208	S	C	*	.	H	α-helix	trans	-66	-40.4	178.2	50.1	0	0	0	0	111.5	S191 A197	S191-T193 VanDerWaalsContact C-N 3.33Å; S191-T193 PolarHBondContact O-N 3.25Å; T193-A197 WeakPolarHBondContact O-CB 3.27Å; T193-A197 PolarHBondContact O-N 3.13Å
194	Y	87.8	Confident	87.6	Confident	38 Å²	38	41.6 Å²	41.6	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-41.9	177.2	-169.2	-83.4	0	0	0	111.6	S191 A197 T198 D416 N418 G419 V422	S191-Y194 WeakPolarHBondContact O-CB 3.34Å; S191-Y194 PolarHBondContact O-N 3.24Å; S191-Y194 VanDerWaalsContact O-N 3.13Å; Y194-A197 PolarHBondContact O-N 3.34Å; Y194-T198 WeakPolarHBondContact O-CB 3.05Å; Y194-T198 PolarHBondContact O-N 2.73Å; Y194-T198 PolarHBondContact O-OG1 2.96Å; Y194-D416 HydrophobicContact CD1-CB 3.94Å; Y194-D416 VanDerWaalsContact CD1-OD1 3.32Å; Y194-D416 WeakPolarHBondContact CD1-OD1 3.35Å; Y194-D416 HydrophobicContact CE1-CB 3.52Å; Y194-N418 HydrophobicContact CD1-CB 4.21Å; Y194-N418 HydrophobicContact CE1-CB 4.3Å; Y194-G419 WeakPolarHBondContact CE1-O 3.07Å; Y194-G419 PolarHBondContact OH-O 3.38Å; Y194-V422 HydrophobicContact CD2-CB 4.32Å; Y194-V422 HydrophobicContact CD2-CG1 4.26Å; Y194-V422 HydrophobicContact CE1-CB 4.32Å; Y194-V422 HydrophobicContact CE1-CG2 4.23Å; Y194-V422 HydrophobicContact CE2-CB 3.63Å; Y194-V422 HydrophobicContact CE2-CG1 3.84Å; Y194-V422 HydrophobicContact CE2-CG2 4.22Å
195	A	88.8	Confident	88.3	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-47.6	175.2	0	0	0	0	0	112	I165 S191 C192 A197 T198 Y199	I165-A195 HydrophobicContact CD1-CB 3.78Å; I165-A195 HydrophobicContact CG2-CB 4.3Å; S191-A195 PolarHBondContact O-N 2.84Å; C192-A195 PolarHBondContact O-N 3.46Å; A195-A197 PolarHBondContact O-N 3.04Å; A195-T198 WeakPolarHBondContact O-CB 3.39Å; A195-T198 PolarHBondContact O-N 3.35Å; A195-Y199 PolarHBondContact O-N 2.79Å
196	K	90.8	Very high	88.8	Confident	87 Å²	87	37.8 Å²	37.8	38%	0.378	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-43.3	175.6	-78.3	-179.8	176.5	173.2	0	112.5	M156 C192 T198 Y199 L200	M156-K196 HydrophobicContact CG-CB 4.39Å; M156-K196 HydrophobicContact CG-CG 4.27Å; M156-K196 HydrophobicContact SD-CB 3.74Å; M156-K196 HydrophobicContact SD-CD 4.35Å; M156-K196 HydrophobicContact SD-CG 4.05Å; C192-K196 WeakPolarHBondContact O-CG 3.48Å; C192-K196 PolarHBondContact O-N 2.99Å; K196-T198 VanDerWaalsContact C-N 3.31Å; K196-T198 PolarHBondContact O-N 3.39Å; K196-Y199 PolarHBondContact O-N 3.35Å; K196-L200 PolarHBondContact O-N 2.91Å; K196-L200 VanDerWaalsContact O-N 3.08Å
197	A	89	Confident	89.1	Confident	33 Å²	33	36 Å²	36	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-63.8	-38.1	175.8	0	0	0	0	0	111.8	T193 Y194 A195 L200 F201 V422	T193-A197 WeakPolarHBondContact O-CB 3.27Å; T193-A197 PolarHBondContact O-N 3.13Å; Y194-A197 PolarHBondContact O-N 3.34Å; A195-A197 PolarHBondContact O-N 3.04Å; A197-L200 WeakPolarHBondContact O-CB 3.37Å; A197-L200 PolarHBondContact O-N 3.27Å; A197-F201 VanDerWaalsContact O-CD2 3.26Å; A197-F201 WeakPolarHBondContact O-CD2 3.4Å; A197-V422 HydrophobicContact CB-CG2 4.19Å
198	T	90.2	Very high	89.3	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-51.3	175.8	-55.9	0	0	0	0	110.5	Y194 A195 K196 L200 F201 D202 N418 V422	Y194-T198 WeakPolarHBondContact O-CB 3.05Å; Y194-T198 PolarHBondContact O-N 2.73Å; Y194-T198 PolarHBondContact O-OG1 2.96Å; A195-T198 WeakPolarHBondContact O-CB 3.39Å; A195-T198 PolarHBondContact O-N 3.35Å; K196-T198 VanDerWaalsContact C-N 3.31Å; K196-T198 PolarHBondContact O-N 3.39Å; T198-L200 VanDerWaalsContact C-N 3.29Å; T198-L200 PolarHBondContact O-N 3.08Å; T198-F201 PolarHBondContact O-N 2.61Å; T198-F201 VanDerWaalsContact O-N 3.16Å; T198-D202 HydrophobicContact CG2-CB 4.24Å; T198-D202 WeakPolarHBondContact O-CA 3.45Å; T198-D202 WeakPolarHBondContact O-CB 3.24Å; T198-D202 PolarHBondContact O-N 2.61Å; T198-N418 HydrophobicContact CG2-CB 4.49Å; T198-V422 VanDerWaalsContact OG1-CG2 3.26Å; T198-V422 WeakPolarHBondContact OG1-CG2 3.43Å
199	Y	91.4	Very high	89.6	Confident	26 Å²	26	35.1 Å²	35.1	10%	0.102	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-34.6	179.4	-178.4	-91.6	0	0	0	113.5	T155 M156 D159 A195 K196 F201 N203	T155-Y199 WeakPolarHBondContact CB-OH 3.17Å; T155-Y199 WeakPolarHBondContact OG1-CE1 3.48Å; T155-Y199 PolarHBondContact OG1-OH 2.75Å; M156-Y199 HydrophobicContact CB-CD1 4.07Å; M156-Y199 HydrophobicContact CB-CE1 4.35Å; M156-Y199 HydrophobicContact CG-CD1 4.22Å; D159-Y199 HydrophobicContact CB-CD1 4.31Å; D159-Y199 HydrophobicContact CB-CD2 3.66Å; D159-Y199 HydrophobicContact CB-CE1 4.19Å; D159-Y199 HydrophobicContact CB-CE2 3.5Å; D159-Y199 VanDerWaalsContact CB-CE2 3.5Å; D159-Y199 HydrophobicContact CB-CG 4.05Å; D159-Y199 WeakPolarHBondContact OD1-CD2 3.36Å; D159-Y199 WeakPolarHBondContact OD1-CE2 2.96Å; A195-Y199 PolarHBondContact O-N 2.79Å; K196-Y199 PolarHBondContact O-N 3.35Å; Y199-F201 PolarHBondContact O-N 3.17Å; Y199-N203 HydrophobicContact CE2-CB 4.49Å
200	L	90.9	Very high	89.8	Confident	34 Å²	34	33.9 Å²	33.9	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-55.7	-36.8	177.3	180	62.8	0	0	0	112.1	V149 F153 K196 A197 T198 N203	V149-L200 HydrophobicContact CG1-CD1 3.96Å; V149-L200 HydrophobicContact CG1-CG 4.24Å; F153-L200 HydrophobicContact CB-CD1 3.78Å; K196-L200 PolarHBondContact O-N 2.91Å; K196-L200 VanDerWaalsContact O-N 3.08Å; A197-L200 WeakPolarHBondContact O-CB 3.37Å; A197-L200 PolarHBondContact O-N 3.27Å; T198-L200 VanDerWaalsContact C-N 3.29Å; T198-L200 PolarHBondContact O-N 3.08Å; L200-N203 PolarHBondContact O-ND2 3.27Å
201	F	87.7	Confident	90	Very high	28 Å²	28	32.6 Å²	32.6	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-107.1	-23.7	-177.7	-60.2	-69.4	0	0	0	114.1	V149 A197 T198 Y199 T206 M421 L425 P522 L523	V149-F201 HydrophobicContact CG1-CE1 4.33Å; V149-F201 HydrophobicContact CG2-CD1 4.21Å; V149-F201 HydrophobicContact CG2-CE1 4.25Å; A197-F201 VanDerWaalsContact O-CD2 3.26Å; A197-F201 WeakPolarHBondContact O-CD2 3.4Å; T198-F201 PolarHBondContact O-N 2.61Å; T198-F201 VanDerWaalsContact O-N 3.16Å; Y199-F201 PolarHBondContact O-N 3.17Å; F201-T206 WeakPolarHBondContact O-CB 3.31Å; F201-T206 WeakPolarHBondContact O-CG2 3.3Å; F201-T206 PolarHBondContact O-OG1 3.43Å; F201-T206 VanDerWaalsContact O-OG1 3.06Å; F201-M421 HydrophobicContact CB-CE 3.72Å; F201-M421 HydrophobicContact CB-SD 3.98Å; F201-M421 VanDerWaalsContact O-CE 3.25Å; F201-M421 WeakPolarHBondContact O-CE 3.33Å; F201-L425 HydrophobicContact CB-CD1 4Å; F201-L425 HydrophobicContact CD1-CD1 3.76Å; F201-L425 HydrophobicContact CD2-CD1 3.25Å; F201-L425 HydrophobicContact CE1-CD1 3.99Å; F201-L425 HydrophobicContact CE2-CD1 3.51Å; F201-L425 HydrophobicContact CE2-CD2 4.47Å; F201-L425 HydrophobicContact CG-CD1 3.39Å; F201-L425 HydrophobicContact CZ-CD1 3.87Å; F201-P522 HydrophobicContact CD1-CG 4.08Å; F201-L523 HydrophobicContact CE1-CD1 4.06Å
202	D	88.7	Confident	90.3	Very high	13 Å²	13	36 Å²	36	7%	0.07	20%	0.201	C	C	.	.	S	Bend	trans	-109.8	79.5	177.1	-163.6	16	0	0	0	109.8	T198 M421 S584 D585	T198-D202 HydrophobicContact CG2-CB 4.24Å; T198-D202 WeakPolarHBondContact O-CA 3.45Å; T198-D202 WeakPolarHBondContact O-CB 3.24Å; T198-D202 PolarHBondContact O-N 2.61Å; D202-M421 HydrophobicContact CB-CE 3.76Å; D202-M421 HydrophobicContact CB-CG 4.39Å; D202-M421 HydrophobicContact CB-SD 4.29Å; D202-S584 PolarHBondContact OD1-OG 3.03Å; D202-S584 WeakPolarHBondContact OD2-CA 3.5Å; D202-S584 WeakPolarHBondContact OD2-CB 3.37Å; D202-S584 PolarHBondContact OD2-OG 2.7Å; D202-D585 PolarHBondContact OD2-N 2.9Å
203	N	89.5	Confident	90.5	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	19%	0.193	C	C	.	.	S	Bend	trans	-128.3	170.8	178	65.5	56.7	0	0	0	110.5	G152 Y199 L200 C205 T206 V207	G152-N203 WeakPolarHBondContact CA-ND2 3.46Å; Y199-N203 HydrophobicContact CE2-CB 4.49Å; L200-N203 PolarHBondContact O-ND2 3.27Å; N203-C205 PolarHBondContact O-N 3.46Å; N203-C205 VanDerWaalsContact O-N 3.14Å; N203-C205 WeakPolarHBondContact OD1-CA 2.97Å; N203-C205 WeakPolarHBondContact OD1-CB 3.46Å; N203-C205 PolarHBondContact OD1-N 3.4Å; N203-T206 PolarHBondContact N-OG1 2.91Å; N203-T206 PolarHBondContact O-N 3.35Å; N203-T206 PolarHBondContact O-OG1 3.39Å; N203-T206 PolarHBondContact OD1-N 2.95Å; N203-T206 VanDerWaalsContact OD1-N 3.14Å; N203-V207 PolarHBondContact O-N 3.23Å
204	T	89.7	Confident	90.7	Very high	85 Å²	85	29.8 Å²	29.8	52%	0.521	16%	0.162	S	C	.	.	H	α-helix	trans	-59.4	-29.8	-178.2	-47.8	0	0	0	0	113.2	I208 F586	T204-I208 PolarHBondContact O-N 3.11Å; T204-F586 HydrophobicContact CG2-CE2 4.4Å
205	C	92.2	Very high	90.8	Very high	35 Å²	35	29.8 Å²	29.8	24%	0.236	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-37.6	175.2	-165.7	0	0	0	0	111.4	C148 Y151 N203 V207 I208 F209	C148-C205 WeakPolarHBondContact CA-SG 3.47Å; C148-C205 HydrophobicContact CB-CB 3.85Å; C148-C205 WeakPolarHBondContact CB-SG 3.37Å; C148-C205 WeakPolarHBondContact SG-CB 3.19Å; C148-C205 PolarHBondContact SG-O 2.86Å; C148-C205 VanDerWaalsContact SG-O 3.41Å; C148-C205 CovalentContact SG-SG 2.07Å; C148-C205 PolarHBondContact SG-SG 3.37Å; Y151-C205 HydrophobicContact CD1-CB 3.89Å; Y151-C205 HydrophobicContact CE1-CB 4.36Å; N203-C205 PolarHBondContact O-N 3.46Å; N203-C205 VanDerWaalsContact O-N 3.14Å; N203-C205 WeakPolarHBondContact OD1-CA 2.97Å; N203-C205 WeakPolarHBondContact OD1-CB 3.46Å; N203-C205 PolarHBondContact OD1-N 3.4Å; C205-V207 PolarHBondContact O-N 3.1Å; C205-I208 PolarHBondContact O-N 3.27Å; C205-F209 WeakPolarHBondContact O-CB 3.37Å; C205-F209 PolarHBondContact O-N 3.25Å
206	T	92.2	Very high	91.1	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-70.8	-31.1	-176.4	63	0	0	0	0	112.8	C148 F201 N203 F209 A210 P522	C148-T206 HydrophobicContact CB-CG2 4.37Å; F201-T206 WeakPolarHBondContact O-CB 3.31Å; F201-T206 WeakPolarHBondContact O-CG2 3.3Å; F201-T206 PolarHBondContact O-OG1 3.43Å; F201-T206 VanDerWaalsContact O-OG1 3.06Å; N203-T206 PolarHBondContact N-OG1 2.91Å; N203-T206 PolarHBondContact O-N 3.35Å; N203-T206 PolarHBondContact O-OG1 3.39Å; N203-T206 PolarHBondContact OD1-N 2.95Å; N203-T206 VanDerWaalsContact OD1-N 3.14Å; T206-F209 PolarHBondContact O-N 3.22Å; T206-A210 WeakPolarHBondContact O-CB 3.29Å; T206-A210 PolarHBondContact O-N 2.91Å; T206-P522 HydrophobicContact CG2-CB 4.2Å; T206-P522 HydrophobicContact CG2-CG 3.92Å
207	V	90.5	Very high	91.2	Very high	16 Å²	16	27 Å²	27	10%	0.097	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-46.8	170	177.7	0	0	0	0	111.3	N203 C205 F209 A210 A211 I580 F586	N203-V207 PolarHBondContact O-N 3.23Å; C205-V207 PolarHBondContact O-N 3.1Å; V207-F209 VanDerWaalsContact C-N 3.33Å; V207-A210 PolarHBondContact O-N 2.95Å; V207-A211 PolarHBondContact O-N 3.2Å; V207-A211 VanDerWaalsContact O-N 3.16Å; V207-I580 HydrophobicContact CG1-CD1 4.34Å; V207-I580 HydrophobicContact CG1-CG2 4.15Å; V207-I580 HydrophobicContact CG2-CG2 4.14Å; V207-F586 HydrophobicContact CG1-CD1 4.4Å; V207-F586 HydrophobicContact CG1-CE1 4.2Å; V207-F586 HydrophobicContact CG1-CZ 4.31Å; V207-F586 HydrophobicContact CG2-CB 4.2Å; V207-F586 HydrophobicContact CG2-CD1 4.28Å; V207-F586 HydrophobicContact CG2-CD2 3.8Å; V207-F586 HydrophobicContact CG2-CE2 4.23Å; V207-F586 HydrophobicContact CG2-CG 3.82Å
208	I	91.9	Very high	91.1	Very high	102 Å²	102	26.1 Å²	26.1	52%	0.523	14%	0.143	S	C	.	.	H	α-helix	trans	-63.7	-43.1	176.5	-63.1	169.6	0	0	0	110.1	T204 C205 A210 A211 L212	T204-I208 PolarHBondContact O-N 3.11Å; C205-I208 PolarHBondContact O-N 3.27Å; I208-A210 PolarHBondContact O-N 3.09Å; I208-A211 WeakPolarHBondContact O-CB 3.41Å; I208-A211 PolarHBondContact O-N 3.15Å; I208-L212 HydrophobicContact CG2-CD1 4.24Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 3.35Å
209	F	94	Very high	91	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-42.8	177.3	-177.6	-116.9	0	0	0	112.1	L144 C205 T206 V207 A211 L212 M213 V518 P522 P525	L144-F209 HydrophobicContact CB-CD2 4.16Å; L144-F209 HydrophobicContact CB-CE2 3.84Å; C205-F209 WeakPolarHBondContact O-CB 3.37Å; C205-F209 PolarHBondContact O-N 3.25Å; T206-F209 PolarHBondContact O-N 3.22Å; V207-F209 VanDerWaalsContact C-N 3.33Å; F209-A211 VanDerWaalsContact C-N 3.33Å; F209-A211 PolarHBondContact O-N 2.95Å; F209-L212 CarbonylContact O-C 3.47Å; F209-L212 WeakPolarHBondContact O-CB 3.42Å; F209-L212 PolarHBondContact O-N 3.47Å; F209-M213 HydrophobicContact CD1-CG 4.15Å; F209-M213 HydrophobicContact CD2-CG 4.19Å; F209-M213 HydrophobicContact CE1-CG 3.81Å; F209-M213 HydrophobicContact CE1-SD 4.4Å; F209-M213 HydrophobicContact CE2-CG 3.84Å; F209-M213 HydrophobicContact CE2-SD 3.93Å; F209-M213 HydrophobicContact CG-CG 4.34Å; F209-M213 HydrophobicContact CZ-CG 3.64Å; F209-M213 HydrophobicContact CZ-SD 3.72Å; F209-M213 WeakPolarHBondContact O-CB 3.24Å; F209-M213 VanDerWaalsContact O-CG 3.25Å; F209-M213 WeakPolarHBondContact O-CG 3.16Å; F209-M213 PolarHBondContact O-N 3Å; F209-V518 HydrophobicContact CD1-CG2 4Å; F209-V518 HydrophobicContact CE1-CG2 3.44Å; F209-V518 VanDerWaalsContact CE1-CG2 3.44Å; F209-V518 HydrophobicContact CZ-CG2 4.29Å; F209-P522 HydrophobicContact CD1-CB 3.96Å; F209-P522 HydrophobicContact CE1-CB 4.03Å; F209-P525 HydrophobicContact CE1-CG 4.48Å; F209-P525 HydrophobicContact CZ-CG 4.09Å
210	A	92.5	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-36.7	176.8	0	0	0	0	0	112.9	T206 V207 I208 M213 S214 V518 A519 I580	T206-A210 WeakPolarHBondContact O-CB 3.29Å; T206-A210 PolarHBondContact O-N 2.91Å; V207-A210 PolarHBondContact O-N 2.95Å; I208-A210 PolarHBondContact O-N 3.09Å; A210-M213 PolarHBondContact O-N 3.42Å; A210-S214 PolarHBondContact O-N 3.46Å; A210-S214 PolarHBondContact O-OG 3.24Å; A210-V518 HydrophobicContact CB-CG1 4.29Å; A210-A519 HydrophobicContact CB-CB 3.86Å; A210-I580 HydrophobicContact CB-CD1 3.85Å
211	A	89.5	Confident	91.2	Very high	25 Å²	25	26.4 Å²	26.4	21%	0.207	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-47.5	171.1	0	0	0	0	0	111.4	V207 I208 F209 M213 S214 L215 F700	V207-A211 PolarHBondContact O-N 3.2Å; V207-A211 VanDerWaalsContact O-N 3.16Å; I208-A211 WeakPolarHBondContact O-CB 3.41Å; I208-A211 PolarHBondContact O-N 3.15Å; F209-A211 VanDerWaalsContact C-N 3.33Å; F209-A211 PolarHBondContact O-N 2.95Å; A211-M213 VanDerWaalsContact C-N 3.29Å; A211-M213 PolarHBondContact O-N 2.97Å; A211-S214 PolarHBondContact O-N 2.9Å; A211-L215 WeakPolarHBondContact O-CG 2.96Å; A211-L215 PolarHBondContact O-N 2.99Å; A211-L215 VanDerWaalsContact O-N 3.12Å; A211-F700 HydrophobicContact CB-CE2 3.8Å; A211-F700 HydrophobicContact CB-CZ 4.28Å
212	L	92.4	Very high	91.2	Very high	85 Å²	85	25.8 Å²	25.8	45%	0.445	14%	0.143	S	C	.	.	H	α-helix	trans	-61.6	-36.5	176.3	-70.3	174.9	0	0	0	112.5	I208 F209 L215 W216	I208-L212 HydrophobicContact CG2-CD1 4.24Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 3.35Å; F209-L212 CarbonylContact O-C 3.47Å; F209-L212 WeakPolarHBondContact O-CB 3.42Å; F209-L212 PolarHBondContact O-N 3.47Å; L212-L215 PolarHBondContact O-N 3.48Å; L212-W216 VanDerWaalsContact O-CB 3.3Å; L212-W216 WeakPolarHBondContact O-CB 3.47Å; L212-W216 PolarHBondContact O-N 3.13Å
213	M	93.8	Very high	91.3	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-70.4	-36	177.8	-75.3	-62.2	-57.7	0	0	112.6	V141 F209 A210 A211 L215 W216 A217 V514 V518 P525	V141-M213 HydrophobicContact CB-CE 4.45Å; V141-M213 HydrophobicContact CB-SD 3.6Å; V141-M213 VanDerWaalsContact CB-SD 3.6Å; V141-M213 HydrophobicContact CG1-SD 3.57Å; V141-M213 VanDerWaalsContact CG1-SD 3.57Å; V141-M213 HydrophobicContact CG2-CE 4.49Å; V141-M213 HydrophobicContact CG2-SD 4.25Å; F209-M213 HydrophobicContact CD1-CG 4.15Å; F209-M213 HydrophobicContact CD2-CG 4.19Å; F209-M213 HydrophobicContact CE1-CG 3.81Å; F209-M213 HydrophobicContact CE1-SD 4.4Å; F209-M213 HydrophobicContact CE2-CG 3.84Å; F209-M213 HydrophobicContact CE2-SD 3.93Å; F209-M213 HydrophobicContact CG-CG 4.34Å; F209-M213 HydrophobicContact CZ-CG 3.64Å; F209-M213 HydrophobicContact CZ-SD 3.72Å; F209-M213 WeakPolarHBondContact O-CB 3.24Å; F209-M213 VanDerWaalsContact O-CG 3.25Å; F209-M213 WeakPolarHBondContact O-CG 3.16Å; F209-M213 PolarHBondContact O-N 3Å; A210-M213 PolarHBondContact O-N 3.42Å; A211-M213 VanDerWaalsContact C-N 3.29Å; A211-M213 PolarHBondContact O-N 2.97Å; M213-L215 VanDerWaalsContact C-N 3.31Å; M213-W216 HydrophobicContact CE-CD2 4.29Å; M213-W216 HydrophobicContact CE-CE3 3.7Å; M213-W216 HydrophobicContact CE-CZ3 4.03Å; M213-W216 PolarHBondContact O-N 3.26Å; M213-A217 WeakPolarHBondContact O-CB 2.93Å; M213-A217 PolarHBondContact O-N 3.15Å; M213-V514 HydrophobicContact CE-CG1 3.87Å; M213-V518 HydrophobicContact CB-CG1 3.68Å; M213-V518 HydrophobicContact CB-CG2 4.35Å; M213-V518 HydrophobicContact CE-CG2 4.38Å; M213-V518 HydrophobicContact CG-CB 4.5Å; M213-V518 HydrophobicContact CG-CG1 4.07Å; M213-V518 HydrophobicContact CG-CG2 3.81Å; M213-P525 HydrophobicContact CE-CG 4.21Å
214	S	91.1	Very high	91.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-38	173	-60.3	0	0	0	0	111.4	A210 A211 N576	A210-S214 PolarHBondContact O-N 3.46Å; A210-S214 PolarHBondContact O-OG 3.24Å; A211-S214 PolarHBondContact O-N 2.9Å; S214-N576 PolarHBondContact OG-ND2 3.36Å
215	L	89.9	Confident	91.6	Very high	37 Å²	37	25.4 Å²	25.4	19%	0.194	14%	0.141	C	C	.	.	H	α-helix	trans	-69.6	-48.2	171.3	-64.3	178.2	0	0	0	111.6	A211 L212 M213 A217 T218 L219 V704 V707	A211-L215 WeakPolarHBondContact O-CG 2.96Å; A211-L215 PolarHBondContact O-N 2.99Å; A211-L215 VanDerWaalsContact O-N 3.12Å; L212-L215 PolarHBondContact O-N 3.48Å; M213-L215 VanDerWaalsContact C-N 3.31Å; L215-A217 PolarHBondContact O-N 3.19Å; L215-T218 PolarHBondContact O-N 3.39Å; L215-T218 PolarHBondContact O-OG1 2.9Å; L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.03Å; L215-L219 PolarHBondContact O-N 3.49Å; L215-V704 HydrophobicContact CD2-CB 4.45Å; L215-V704 HydrophobicContact CD2-CG1 4.21Å; L215-V704 HydrophobicContact CD2-CG2 4.29Å; L215-V707 HydrophobicContact CD1-CG1 4.27Å; L215-V707 HydrophobicContact CD2-CB 3.61Å; L215-V707 HydrophobicContact CD2-CG1 3.52Å; L215-V707 HydrophobicContact CD2-CG2 4.16Å; L215-V707 HydrophobicContact CG-CG1 4.47Å
216	W	94.3	Very high	91.5	Very high	29 Å²	29	29 Å²	29	11%	0.11	15%	0.149	C	C	.	.	H	α-helix	trans	-54.9	-40.8	178.5	172.7	91.6	0	0	0	111.9	Y134 C137 L138 V141 L212 M213 T218 L219 F220 Y511 T515	Y134-W216 HydrophobicContact CE2-CH2 4.15Å; C137-W216 HydrophobicContact CB-CZ2 4.05Å; C137-W216 PolarHBondContact O-NE1 3.49Å; L138-W216 HydrophobicContact CD2-CH2 3.93Å; L138-W216 HydrophobicContact CD2-CZ2 4.12Å; L138-W216 HydrophobicContact CG-CZ2 4.48Å; V141-W216 HydrophobicContact CG1-CB 4.27Å; V141-W216 HydrophobicContact CG1-CD2 4.03Å; V141-W216 HydrophobicContact CG1-CG 3.64Å; V141-W216 HydrophobicContact CG2-CZ2 4.2Å; L212-W216 VanDerWaalsContact O-CB 3.3Å; L212-W216 WeakPolarHBondContact O-CB 3.47Å; L212-W216 PolarHBondContact O-N 3.13Å; M213-W216 HydrophobicContact CE-CD2 4.29Å; M213-W216 HydrophobicContact CE-CE3 3.7Å; M213-W216 HydrophobicContact CE-CZ3 4.03Å; M213-W216 PolarHBondContact O-N 3.26Å; W216-T218 VanDerWaalsContact C-N 3.29Å; W216-T218 PolarHBondContact O-N 3.17Å; W216-L219 PolarHBondContact O-N 2.87Å; W216-F220 HydrophobicContact CD2-CB 4.46Å; W216-F220 HydrophobicContact CH2-CG 4.39Å; W216-F220 HydrophobicContact CZ2-CB 4.4Å; W216-F220 HydrophobicContact CZ2-CD2 4.45Å; W216-F220 HydrophobicContact CZ2-CG 4.34Å; W216-F220 WeakPolarHBondContact O-CB 3.47Å; W216-F220 PolarHBondContact O-N 3.48Å; W216-Y511 HydrophobicContact CH2-CE2 4.24Å; W216-Y511 HydrophobicContact CZ3-CD2 4.5Å; W216-Y511 AromaticContact CZ3-CE2 3.91Å; W216-Y511 HydrophobicContact CZ3-CE2 3.91Å; W216-T515 HydrophobicContact CZ3-CG2 4.08Å
217	A	92.7	Very high	91.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-40.4	178.5	0	0	0	0	0	112.4	M213 L215 L221 Y511 T515	M213-A217 WeakPolarHBondContact O-CB 2.93Å; M213-A217 PolarHBondContact O-N 3.15Å; L215-A217 PolarHBondContact O-N 3.19Å; A217-L221 WeakPolarHBondContact O-CG 3.25Å; A217-L221 PolarHBondContact O-N 2.64Å; A217-Y511 WeakPolarHBondContact CA-OH 3.47Å; A217-Y511 WeakPolarHBondContact CB-OH 3.41Å; A217-Y511 PolarHBondContact O-OH 2.75Å; A217-T515 HydrophobicContact CB-CG2 3.97Å
218	T	87.7	Confident	91.6	Very high	16 Å²	16	33.1 Å²	33.1	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-74.6	-46.5	177.2	61.2	0	0	0	0	111.5	L215 W216 F220 L221 E222 K708	L215-T218 PolarHBondContact O-N 3.39Å; L215-T218 PolarHBondContact O-OG1 2.9Å; W216-T218 VanDerWaalsContact C-N 3.29Å; W216-T218 PolarHBondContact O-N 3.17Å; T218-F220 VanDerWaalsContact C-N 3.29Å; T218-F220 PolarHBondContact O-N 3.19Å; T218-L221 PolarHBondContact O-N 3.38Å; T218-E222 PolarHBondContact O-N 2.74Å; T218-E222 VanDerWaalsContact O-N 3.12Å; T218-K708 HydrophobicContact CG2-CD 4.23Å; T218-K708 HydrophobicContact CG2-CG 4.31Å
219	L	89	Confident	91.4	Very high	60 Å²	60	29.1 Å²	29.1	31%	0.314	15%	0.148	S	C	.	.	H	α-helix	trans	-58.6	-40.2	177.6	-62.8	179.8	0	0	0	112.6	L215 W216 E222 A223 F711	L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.03Å; L215-L219 PolarHBondContact O-N 3.49Å; W216-L219 PolarHBondContact O-N 2.87Å; L219-E222 PolarHBondContact O-N 3.31Å; L219-A223 VanDerWaalsContact O-CB 3.28Å; L219-A223 WeakPolarHBondContact O-CB 3.31Å; L219-A223 PolarHBondContact O-N 3.3Å; L219-F711 HydrophobicContact CD2-CB 3.95Å; L219-F711 HydrophobicContact CD2-CD1 3.5Å; L219-F711 VanDerWaalsContact CD2-CD1 3.5Å; L219-F711 HydrophobicContact CD2-CD2 3.16Å; L219-F711 HydrophobicContact CD2-CE1 3.66Å; L219-F711 HydrophobicContact CD2-CE2 3.34Å; L219-F711 HydrophobicContact CD2-CG 3.23Å; L219-F711 HydrophobicContact CD2-CZ 3.56Å
220	F	93.2	Very high	91.3	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-47.4	176.8	165.7	-110.8	0	0	0	111.8	W130 H133 Y134 C137 W216 T218 A223 W224 Y511	W130-F220 AromaticContact CH2-CE1 3.49Å; W130-F220 HydrophobicContact CH2-CE1 3.49Å; W130-F220 VanDerWaalsContact CH2-CE1 3.49Å; W130-F220 AromaticContact CH2-CZ 3.37Å; W130-F220 HydrophobicContact CH2-CZ 3.37Å; W130-F220 HydrophobicContact CZ2-CE1 4.25Å; W130-F220 HydrophobicContact CZ2-CZ 4.04Å; W130-F220 HydrophobicContact CZ3-CE1 4.07Å; W130-F220 AromaticContact CZ3-CZ 3.65Å; W130-F220 HydrophobicContact CZ3-CZ 3.65Å; H133-F220 AromaticContact CD2-CE2 3.52Å; H133-F220 AromaticContact NE2-CD2 3.97Å; H133-F220 AromaticContact NE2-CE2 3.89Å; Y134-F220 HydrophobicContact CD2-CE1 4.21Å; Y134-F220 HydrophobicContact CD2-CE2 4.08Å; Y134-F220 AromaticContact CD2-CZ 3.64Å; Y134-F220 HydrophobicContact CD2-CZ 3.64Å; Y134-F220 HydrophobicContact CG-CZ 4.21Å; C137-F220 HydrophobicContact CB-CD2 3.66Å; C137-F220 HydrophobicContact CB-CE2 4.06Å; W216-F220 HydrophobicContact CD2-CB 4.46Å; W216-F220 HydrophobicContact CH2-CG 4.39Å; W216-F220 HydrophobicContact CZ2-CB 4.4Å; W216-F220 HydrophobicContact CZ2-CD2 4.45Å; W216-F220 HydrophobicContact CZ2-CG 4.34Å; W216-F220 WeakPolarHBondContact O-CB 3.47Å; W216-F220 PolarHBondContact O-N 3.48Å; T218-F220 VanDerWaalsContact C-N 3.29Å; T218-F220 PolarHBondContact O-N 3.19Å; F220-A223 PolarHBondContact O-N 2.89Å; F220-W224 PolarHBondContact O-N 3.07Å; F220-Y511 HydrophobicContact CD1-CD2 4.35Å; F220-Y511 AromaticContact CD1-CE2 3.55Å; F220-Y511 HydrophobicContact CD1-CE2 3.55Å; F220-Y511 AromaticContact CE1-CD2 3.99Å; F220-Y511 HydrophobicContact CE1-CD2 3.99Å; F220-Y511 AromaticContact CE1-CE2 3.63Å; F220-Y511 HydrophobicContact CE1-CE2 3.63Å
221	L	91.9	Very high	91.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-38.6	-179.8	-69.3	-176.6	0	0	0	112.5	W130 A217 T218 W224 K225 M562 L565 V566 S569	W130-L221 HydrophobicContact CH2-CD2 4.44Å; A217-L221 WeakPolarHBondContact O-CG 3.25Å; A217-L221 PolarHBondContact O-N 2.64Å; T218-L221 PolarHBondContact O-N 3.38Å; L221-W224 PolarHBondContact O-N 3.25Å; L221-K225 WeakPolarHBondContact O-CG 3.33Å; L221-K225 PolarHBondContact O-N 3.4Å; L221-M562 HydrophobicContact CB-CE 4.18Å; L221-L565 HydrophobicContact CD1-CB 4.16Å; L221-L565 HydrophobicContact CD2-CB 3.8Å; L221-L565 HydrophobicContact CD2-CD1 4.15Å; L221-L565 HydrophobicContact CD2-CG 4.42Å; L221-V566 HydrophobicContact CD1-CB 4.46Å; L221-V566 HydrophobicContact CD1-CG2 3.89Å; L221-S569 WeakPolarHBondContact CD1-OG 3.48Å
222	E	88.8	Confident	91.1	Very high	15 Å²	15	31.2 Å²	31.2	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-40.3	174.9	-63.1	-48.2	141.7	0	0	111.8	T218 L219 W224 K225 R226 F711	T218-E222 PolarHBondContact O-N 2.74Å; T218-E222 VanDerWaalsContact O-N 3.12Å; L219-E222 PolarHBondContact O-N 3.31Å; E222-W224 VanDerWaalsContact C-N 3.29Å; E222-W224 PolarHBondContact O-N 3.29Å; E222-K225 PolarHBondContact O-N 3.2Å; E222-K225 IonicContact OE1-NZ 2.75Å; E222-K225 PolarHBondContact OE1-NZ 2.73Å; E222-K225 WeakPolarHBondContact OE2-CE 3.29Å; E222-K225 IonicContact OE2-NZ 2.61Å; E222-K225 PolarHBondContact OE2-NZ 3.43Å; E222-R226 PolarHBondContact O-N 2.97Å; E222-R226 VanDerWaalsContact O-N 3.09Å; E222-F711 HydrophobicContact CB-CD1 4.16Å; E222-F711 HydrophobicContact CB-CE1 3.75Å; E222-F711 HydrophobicContact CG-CD1 4.22Å; E222-F711 HydrophobicContact CG-CE1 4.32Å
223	A	91.2	Very high	90.8	Very high	39 Å²	39	29.8 Å²	29.8	32%	0.322	14%	0.143	S	C	.	.	H	α-helix	trans	-61	-39.3	172.4	0	0	0	0	0	111.9	L219 F220 R226 R227	L219-A223 VanDerWaalsContact O-CB 3.28Å; L219-A223 WeakPolarHBondContact O-CB 3.31Å; L219-A223 PolarHBondContact O-N 3.3Å; F220-A223 PolarHBondContact O-N 2.89Å; A223-R226 PolarHBondContact O-N 3.4Å; A223-R227 WeakPolarHBondContact O-CB 3.31Å; A223-R227 PolarHBondContact O-N 3.44Å
224	W	93.4	Very high	90.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-47.1	174.8	174.7	-111.4	0	0	0	112.4	L126 V129 W130 H133 F220 L221 E222 R226 R227 Q228 L558	L126-W224 HydrophobicContact CD1-CH2 4.23Å; L126-W224 HydrophobicContact CD1-CZ2 4.26Å; V129-W224 HydrophobicContact CG1-CH2 4.26Å; V129-W224 HydrophobicContact CG1-CZ3 4.09Å; W130-W224 VanDerWaalsContact CA-CZ3 3.48Å; W130-W224 HydrophobicContact CB-CH2 3.54Å; W130-W224 HydrophobicContact CB-CZ2 3.89Å; W130-W224 HydrophobicContact CB-CZ3 4.11Å; W130-W224 HydrophobicContact CD2-CZ2 4.43Å; W130-W224 AromaticContact CE3-CD1 3.99Å; W130-W224 AromaticContact CE3-CD2 3.34Å; W130-W224 HydrophobicContact CE3-CD2 3.34Å; W130-W224 AromaticContact CE3-CE2 3.38Å; W130-W224 AromaticContact CE3-CE3 3.7Å; W130-W224 HydrophobicContact CE3-CE3 3.7Å; W130-W224 AromaticContact CE3-CG 3.75Å; W130-W224 HydrophobicContact CE3-CG 3.75Å; W130-W224 HydrophobicContact CE3-CH2 4.05Å; W130-W224 AromaticContact CE3-CZ2 3.75Å; W130-W224 HydrophobicContact CE3-CZ2 3.75Å; W130-W224 HydrophobicContact CE3-CZ3 4.03Å; W130-W224 AromaticContact CE3-NE1 3.8Å; W130-W224 HydrophobicContact CG-CH2 4.49Å; W130-W224 HydrophobicContact CZ3-CB 4Å; W130-W224 AromaticContact CZ3-CD1 3.63Å; W130-W224 AromaticContact CZ3-CD2 3.61Å; W130-W224 HydrophobicContact CZ3-CD2 3.61Å; W130-W224 AromaticContact CZ3-CE2 3.88Å; W130-W224 HydrophobicContact CZ3-CE3 4.23Å; W130-W224 AromaticContact CZ3-CG 3.45Å; W130-W224 HydrophobicContact CZ3-CG 3.45Å; W130-W224 VanDerWaalsContact CZ3-CG 3.45Å; W130-W224 AromaticContact CZ3-NE1 3.89Å; H133-W224 HydrophobicContact CB-CE3 3.96Å; H133-W224 HydrophobicContact CB-CZ3 3.95Å; H133-W224 AromaticContact CD2-CE3 3.56Å; H133-W224 AromaticContact CG-CE3 3.83Å; F220-W224 PolarHBondContact O-N 3.07Å; L221-W224 PolarHBondContact O-N 3.25Å; E222-W224 VanDerWaalsContact C-N 3.29Å; E222-W224 PolarHBondContact O-N 3.29Å; W224-R226 PolarHBondContact O-N 2.9Å; W224-R227 HydrophobicContact CE3-CB 4.43Å; W224-R227 CarbonylContact O-C 3.58Å; W224-R227 PolarHBondContact O-N 3.35Å; W224-R227 VanDerWaalsContact O-N 3.08Å; W224-Q228 HydrophobicContact CZ2-CB 4.44Å; W224-Q228 VanDerWaalsContact NE1-OE1 3.15Å; W224-Q228 WeakPolarHBondContact O-CB 3.18Å; W224-Q228 PolarHBondContact O-N 3.43Å; W224-L558 HydrophobicContact CZ2-CD1 3.7Å; W224-L558 HydrophobicContact CZ2-CG 4.08Å
225	K	90.9	Very high	90.4	Very high	57 Å²	57	36.3 Å²	36.3	25%	0.248	17%	0.168	C	C	.	.	H	α-helix	trans	-54.1	-45.8	176.3	-71.6	-174.5	-153.2	153.4	0	111.1	L221 E222 R227 Q228 G229 M562	L221-K225 WeakPolarHBondContact O-CG 3.33Å; L221-K225 PolarHBondContact O-N 3.4Å; E222-K225 PolarHBondContact O-N 3.2Å; E222-K225 IonicContact OE1-NZ 2.75Å; E222-K225 PolarHBondContact OE1-NZ 2.73Å; E222-K225 WeakPolarHBondContact OE2-CE 3.29Å; E222-K225 IonicContact OE2-NZ 2.61Å; E222-K225 PolarHBondContact OE2-NZ 3.43Å; K225-R227 PolarHBondContact O-N 3.19Å; K225-Q228 PolarHBondContact O-N 3Å; K225-G229 PolarHBondContact O-N 2.96Å; K225-M562 HydrophobicContact CD-CE 3.87Å; K225-M562 HydrophobicContact CG-CE 3.35Å; K225-M562 HydrophobicContact CG-SD 4.46Å
226	R	91.5	Very high	90	Very high	110 Å²	110	37.7 Å²	37.7	42%	0.415	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-42.6	177.6	-174.9	178.7	155.8	-179.8	-4.4	112.6	E222 A223 W224 G229 E230 D717 P719	E222-R226 PolarHBondContact O-N 2.97Å; E222-R226 VanDerWaalsContact O-N 3.09Å; A223-R226 PolarHBondContact O-N 3.4Å; W224-R226 PolarHBondContact O-N 2.9Å; R226-G229 PolarHBondContact O-N 3.44Å; R226-E230 PolarHBondContact O-N 2.89Å; R226-E230 VanDerWaalsContact O-N 3.16Å; R226-D717 VanDerWaalsContact CA-O 3.23Å; R226-D717 WeakPolarHBondContact CA-O 3.42Å; R226-P719 HydrophobicContact CG-CG 3.84Å
227	R	91.9	Very high	89.5	Confident	75 Å²	75	36.5 Å²	36.5	28%	0.283	17%	0.171	S	C	.	.	H	α-helix	trans	-67.8	-42.3	176.9	-173.8	56.9	173.2	170.6	-0	112.1	A223 W224 K225 G229 E230 L231	A223-R227 WeakPolarHBondContact O-CB 3.31Å; A223-R227 PolarHBondContact O-N 3.44Å; W224-R227 HydrophobicContact CE3-CB 4.43Å; W224-R227 CarbonylContact O-C 3.58Å; W224-R227 PolarHBondContact O-N 3.35Å; W224-R227 VanDerWaalsContact O-N 3.08Å; K225-R227 PolarHBondContact O-N 3.19Å; R227-G229 VanDerWaalsContact C-N 3.34Å; R227-E230 IonicContact CZ-OE2 2.74Å; R227-E230 IonicContact NH1-OE1 2.69Å; R227-E230 PolarHBondContact NH1-OE1 3.42Å; R227-E230 IonicContact NH1-OE2 3.86Å; R227-E230 PolarHBondContact NH1-OE2 2.54Å; R227-E230 PolarHBondContact O-N 3.36Å; R227-L231 HydrophobicContact CG-CD1 4.06Å; R227-L231 WeakPolarHBondContact O-CD1 3.16Å; R227-L231 VanDerWaalsContact O-CG 3.28Å; R227-L231 WeakPolarHBondContact O-CG 3.35Å; R227-L231 PolarHBondContact O-N 3.03Å
228	Q	91.5	Very high	88.5	Confident	30 Å²	30	38.4 Å²	38.4	14%	0.14	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.7	-172	-177.1	-84.8	0	0	111.1	W224 K225 L231 S232 D557	W224-Q228 HydrophobicContact CZ2-CB 4.44Å; W224-Q228 VanDerWaalsContact NE1-OE1 3.15Å; W224-Q228 WeakPolarHBondContact O-CB 3.18Å; W224-Q228 PolarHBondContact O-N 3.43Å; K225-Q228 PolarHBondContact O-N 3Å; Q228-L231 PolarHBondContact O-N 3.33Å; Q228-S232 WeakPolarHBondContact O-CB 3.07Å; Q228-S232 PolarHBondContact O-N 3.35Å; Q228-D557 HydrophobicContact CG-CB 4.44Å
229	G	89.2	Confident	87.5	Confident	17 Å²	17	41.8 Å²	41.8	18%	0.175	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-43.6	174.9	0	0	0	0	0	113.1	K225 R226 R227 S232 W233	K225-G229 PolarHBondContact O-N 2.96Å; R226-G229 PolarHBondContact O-N 3.44Å; R227-G229 VanDerWaalsContact C-N 3.34Å; G229-S232 PolarHBondContact O-N 2.89Å; G229-W233 PolarHBondContact O-N 2.82Å
230	E	90.4	Very high	86.3	Confident	55 Å²	55	40.7 Å²	40.7	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-44.1	173.8	-172.8	-164.9	157.2	0	0	112	R226 R227 W233 R234 P719 V722	R226-E230 PolarHBondContact O-N 2.89Å; R226-E230 VanDerWaalsContact O-N 3.16Å; R227-E230 IonicContact CZ-OE2 2.74Å; R227-E230 IonicContact NH1-OE1 2.69Å; R227-E230 PolarHBondContact NH1-OE1 3.42Å; R227-E230 IonicContact NH1-OE2 3.86Å; R227-E230 PolarHBondContact NH1-OE2 2.54Å; R227-E230 PolarHBondContact O-N 3.36Å; E230-W233 PolarHBondContact O-N 3.37Å; E230-R234 WeakPolarHBondContact O-CB 3.49Å; E230-R234 PolarHBondContact O-N 3.48Å; E230-P719 HydrophobicContact CB-CG 4.36Å; E230-V722 HydrophobicContact CB-CG2 4.4Å; E230-V722 HydrophobicContact CG-CG2 4.06Å
231	L	90.4	Very high	84.7	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-40.4	179.8	-69.7	162.6	0	0	0	112.2	V129 R227 Q228 W233 R234 W235	V129-L231 HydrophobicContact CB-CD1 4.3Å; V129-L231 HydrophobicContact CG1-CD1 3.38Å; R227-L231 HydrophobicContact CG-CD1 4.06Å; R227-L231 WeakPolarHBondContact O-CD1 3.16Å; R227-L231 VanDerWaalsContact O-CG 3.28Å; R227-L231 WeakPolarHBondContact O-CG 3.35Å; R227-L231 PolarHBondContact O-N 3.03Å; Q228-L231 PolarHBondContact O-N 3.33Å; L231-W233 PolarHBondContact O-N 3.03Å; L231-R234 PolarHBondContact O-N 3.01Å; L231-W235 HydrophobicContact CB-CE3 4.41Å; L231-W235 HydrophobicContact CD2-CH2 4.32Å; L231-W235 HydrophobicContact CD2-CZ2 3.95Å; L231-W235 VanDerWaalsContact O-CB 3.28Å; L231-W235 WeakPolarHBondContact O-CB 3.32Å; L231-W235 PolarHBondContact O-N 3.39Å
232	S	87.4	Confident	82.9	Confident	11 Å²	11	51.2 Å²	51.2	8%	0.077	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-41.6	175.4	177.7	0	0	0	0	110.9	Q228 G229 N236 L237	Q228-S232 WeakPolarHBondContact O-CB 3.07Å; Q228-S232 PolarHBondContact O-N 3.35Å; G229-S232 PolarHBondContact O-N 2.89Å; S232-N236 PolarHBondContact O-N 2.93Å; S232-L237 WeakPolarHBondContact O-CA 3.21Å; S232-L237 WeakPolarHBondContact O-CB 3.38Å; S232-L237 PolarHBondContact O-N 3.38Å
233	W	86.3	Confident	81.1	Confident	55 Å²	55	58.3 Å²	58.3	21%	0.208	28%	0.279	C	S	.	.	H	α-helix	trans	-69.3	-52.7	174	176.2	73.9	0	0	0	111.8	G229 E230 L231 W235 N236 C238 V722 Q725 I726 E729	G229-W233 PolarHBondContact O-N 2.82Å; E230-W233 PolarHBondContact O-N 3.37Å; L231-W233 PolarHBondContact O-N 3.03Å; W233-W235 PolarHBondContact O-N 3.01Å; W233-W235 VanDerWaalsContact O-N 3.11Å; W233-N236 PolarHBondContact O-N 2.97Å; W233-C238 VanDerWaalsContact CA-SG 3.52Å; W233-V722 HydrophobicContact CB-CG1 3.62Å; W233-V722 HydrophobicContact CD2-CG1 4.13Å; W233-V722 HydrophobicContact CE3-CG1 4.42Å; W233-V722 HydrophobicContact CE3-CG2 4.31Å; W233-V722 HydrophobicContact CG-CG1 3.77Å; W233-Q725 HydrophobicContact CZ2-CB 3.86Å; W233-Q725 VanDerWaalsContact CZ2-CD 3.44Å; W233-Q725 HydrophobicContact CZ2-CG 4.11Å; W233-Q725 VanDerWaalsContact CZ2-OE1 3.31Å; W233-I726 HydrophobicContact CG-CG1 4.28Å; W233-E729 PolarHBondContact NE1-OE1 3.42Å
234	R	88.9	Confident	79.5	Confident	128 Å²	128	63.7 Å²	63.7	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-27.1	-177.6	-176.5	172.3	170.8	157	-1.1	113.7	E114 E230 L231	E114-R234 IonicContact OE1-CZ 3.42Å; E114-R234 IonicContact OE1-NE 3.05Å; E114-R234 PolarHBondContact OE1-NE 3.26Å; E114-R234 IonicContact OE1-NH2 3.93Å; E114-R234 PolarHBondContact OE1-NH2 2.89Å; E230-R234 WeakPolarHBondContact O-CB 3.49Å; E230-R234 PolarHBondContact O-N 3.48Å; L231-R234 PolarHBondContact O-N 3.01Å
235	W	88.2	Confident	77.9	Confident	11 Å²	11	65.2 Å²	65.2	4%	0.042	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.1	179.3	-65.3	-10.1	0	0	0	114.2	E114 K117 V122 A125 L126 V129 L231 W233 L237	E114-W235 PolarHBondContact OE2-NE1 3.39Å; K117-W235 HydrophobicContact CD-CD2 3.86Å; K117-W235 HydrophobicContact CD-CG 3.75Å; K117-W235 HydrophobicContact CD-CZ2 4.36Å; V122-W235 HydrophobicContact CG1-CE3 3.84Å; V122-W235 HydrophobicContact CG1-CZ3 4.17Å; A125-W235 HydrophobicContact CB-CH2 3.82Å; A125-W235 HydrophobicContact CB-CZ2 4.32Å; A125-W235 HydrophobicContact CB-CZ3 4.44Å; L126-W235 HydrophobicContact CB-CZ3 4.09Å; L126-W235 HydrophobicContact CD1-CZ3 4.13Å; V129-W235 HydrophobicContact CG2-CH2 3.82Å; V129-W235 HydrophobicContact CG2-CZ2 4.19Å; L231-W235 HydrophobicContact CB-CE3 4.41Å; L231-W235 HydrophobicContact CD2-CH2 4.32Å; L231-W235 HydrophobicContact CD2-CZ2 3.95Å; L231-W235 VanDerWaalsContact O-CB 3.28Å; L231-W235 WeakPolarHBondContact O-CB 3.32Å; L231-W235 PolarHBondContact O-N 3.39Å; W233-W235 PolarHBondContact O-N 3.01Å; W233-W235 VanDerWaalsContact O-N 3.11Å; W235-L237 HydrophobicContact CB-CD1 3.76Å; W235-L237 HydrophobicContact CB-CG 4.03Å; W235-L237 HydrophobicContact CE3-CD1 4.1Å
236	N	82.2	Confident	76.7	Confident	66 Å²	66	65.9 Å²	65.9	35%	0.353	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	46.7	178.9	-56.4	-29.4	0	0	0	112.6	T6 S232 W233	T6-N236 PolarHBondContact OG1-OD1 2.89Å; S232-N236 PolarHBondContact O-N 2.93Å; W233-N236 PolarHBondContact O-N 2.97Å
237	L	81.9	Confident	75.8	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	30%	0.302	C	S	.	.			trans	-109.5	-0.1	-179	-57	164.9	0	0	0	112.8	V122 S232 W235 D239 F240 R554 A555	V122-L237 HydrophobicContact CG1-CD1 3.56Å; V122-L237 HydrophobicContact CG1-CD2 4.21Å; V122-L237 HydrophobicContact CG1-CG 4.49Å; S232-L237 WeakPolarHBondContact O-CA 3.21Å; S232-L237 WeakPolarHBondContact O-CB 3.38Å; S232-L237 PolarHBondContact O-N 3.38Å; W235-L237 HydrophobicContact CB-CD1 3.76Å; W235-L237 HydrophobicContact CB-CG 4.03Å; W235-L237 HydrophobicContact CE3-CD1 4.1Å; L237-D239 PolarHBondContact O-N 2.9Å; L237-F240 VanDerWaalsContact O-CB 3.27Å; L237-F240 WeakPolarHBondContact O-CB 3.25Å; L237-F240 PolarHBondContact O-N 3.32Å; L237-R554 HydrophobicContact CD2-CG 4.35Å; L237-A555 WeakPolarHBondContact CD1-O 3.25Å
238	C	73.2	Confident	75.1	Confident	41 Å²	41	58.8 Å²	58.8	28%	0.277	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-41.3	-178.1	-70.2	0	0	0	0	113.1	W233 F240	W233-C238 VanDerWaalsContact CA-SG 3.52Å; C238-F240 VanDerWaalsContact C-N 3.27Å; C238-F240 PolarHBondContact O-N 3.43Å
239	D	66.6	Low	74.1	Confident	87 Å²	87	58.4 Å²	58.4	47%	0.465	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.5	-179.9	-60	-26.1	0	0	0	112.5	T6 L237 E241	T6-D239 WeakPolarHBondContact CG2-OD2 3.35Å; L237-D239 PolarHBondContact O-N 2.9Å; D239-E241 PolarHBondContact O-N 3.41Å
240	F	63.3	Low	73.2	Confident	38 Å²	38	60.4 Å²	60.4	17%	0.167	30%	0.295	C	S	.	.			trans	-71.8	98	173.5	-174	-105	0	0	0	108.7	L237 C238 K556	L237-F240 VanDerWaalsContact O-CB 3.27Å; L237-F240 WeakPolarHBondContact O-CB 3.25Å; L237-F240 PolarHBondContact O-N 3.32Å; C238-F240 VanDerWaalsContact C-N 3.27Å; C238-F240 PolarHBondContact O-N 3.43Å; F240-K556 HydrophobicContact CD1-CB 4.22Å
241	E	59.8	Low	72.7	Confident	130 Å²	130	58.1 Å²	58.1	61%	0.607	29%	0.285	S	S	*	.			trans	-83.4	120.4	172.6	-70.4	-178.3	171.8	0	0	109	D239 E243 E244	D239-E241 PolarHBondContact O-N 3.41Å; E241-E243 PolarHBondContact O-N 3.16Å; E241-E244 PolarHBondContact O-N 3.15Å
242	L	54.7	Low	71.8	Confident	100 Å²	100	61.7 Å²	61.7	52%	0.524	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-57.3	-16.4	176.4	-89.2	115.2	0	0	0	113.1	E244 D245	L242-E244 PolarHBondContact O-N 2.95Å; L242-D245 VanDerWaalsContact O-CB 3.26Å; L242-D245 WeakPolarHBondContact O-CB 3.43Å; L242-D245 PolarHBondContact O-N 2.73Å
243	E	50.6	Low	71	Confident	163 Å²	163	63.6 Å²	63.6	76%	0.762	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-70.8	-12.9	176.3	-65	-173.2	175.6	0	0	112.9	E241 D245	E241-E243 PolarHBondContact O-N 3.16Å; E243-D245 VanDerWaalsContact C-N 3.33Å
244	E	56.4	Low	70.5	Confident	152 Å²	152	64.4 Å²	64.4	71%	0.71	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-87.5	5.2	167.4	-63.7	-171	162.4	0	0	113.4	E241 L242 V246	E241-E244 PolarHBondContact O-N 3.15Å; L242-E244 PolarHBondContact O-N 2.95Å; E244-V246 PolarHBondContact O-N 2.85Å
245	D	60.9	Low	70.1	Confident	32 Å²	32	58.9 Å²	58.9	17%	0.171	31%	0.305	C	S	.	.	S	Bend	trans	-60.3	127.4	175.6	-85.8	-18.9	0	0	0	110.2	L242 E243 V247 T362 S364	L242-D245 VanDerWaalsContact O-CB 3.26Å; L242-D245 WeakPolarHBondContact O-CB 3.43Å; L242-D245 PolarHBondContact O-N 2.73Å; E243-D245 VanDerWaalsContact C-N 3.33Å; D245-V247 PolarHBondContact O-N 2.79Å; D245-V247 VanDerWaalsContact O-N 3.14Å; D245-T362 HydrophobicContact CB-CG2 4.41Å; D245-S364 VanDerWaalsContact OD2-CB 3.23Å; D245-S364 WeakPolarHBondContact OD2-CB 3.49Å; D245-S364 PolarHBondContact OD2-OG 3.28Å
246	V	65.2	Low	69.7	Low	72 Å²	72	68.1 Å²	68.1	44%	0.436	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-57	121.3	179.3	-171.8	0	0	0	0	108.3	E244 R248	E244-V246 PolarHBondContact O-N 2.85Å; V246-R248 PolarHBondContact O-N 2.85Å
247	V	72.8	Confident	69.7	Low	24 Å²	24	69.7 Å²	69.7	15%	0.145	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-58.2	136.6	173.2	-177.2	0	0	0	0	107.4	D245 P249 F251 E252 R361	D245-V247 PolarHBondContact O-N 2.79Å; D245-V247 VanDerWaalsContact O-N 3.14Å; V247-P249 WeakPolarHBondContact O-CD 3.38Å; V247-F251 HydrophobicContact CG1-CB 4.44Å; V247-F251 HydrophobicContact CG1-CD1 3.77Å; V247-E252 HydrophobicContact CB-CG 3.92Å; V247-E252 WeakPolarHBondContact CB-OE1 3.26Å; V247-E252 HydrophobicContact CG1-CG 3.46Å; V247-E252 VanDerWaalsContact CG1-CG 3.46Å; V247-R361 HydrophobicContact CG1-CG 4.16Å
248	R	76.7	Confident	69.8	Low	11 Å²	11	74.3 Å²	74.3	4%	0.042	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-64.9	125.6	-176.9	-179.2	169.8	175.6	-164	4.3	109	V246 E250 F251 E252 N356 R361 E363	V246-R248 PolarHBondContact O-N 2.85Å; R248-E250 HydrophobicContact CG-CB 4.25Å; R248-E250 IonicContact CZ-OE1 3.77Å; R248-E250 IonicContact CZ-OE2 2.79Å; R248-E250 IonicContact NE-OE1 2.76Å; R248-E250 PolarHBondContact NE-OE1 3.18Å; R248-E250 IonicContact NE-OE2 3.51Å; R248-E250 PolarHBondContact NE-OE2 2.88Å; R248-E250 IonicContact NH1-OE2 3.07Å; R248-E250 IonicContact NH2-OE1 3.87Å; R248-E250 PolarHBondContact NH2-OE1 3.33Å; R248-E250 IonicContact NH2-OE2 2.72Å; R248-E250 PolarHBondContact NH2-OE2 3.38Å; R248-E250 PolarHBondContact O-N 3.26Å; R248-F251 HydrophobicContact CB-CB 4.26Å; R248-F251 WeakPolarHBondContact O-CA 3.43Å; R248-F251 VanDerWaalsContact O-CB 3.24Å; R248-F251 WeakPolarHBondContact O-CB 3.28Å; R248-F251 PolarHBondContact O-N 3.35Å; R248-E252 PolarHBondContact O-N 2.96Å; R248-E252 VanDerWaalsContact O-N 3.1Å; R248-N356 PolarHBondContact NH1-OD1 3.27Å; R248-N356 PolarHBondContact NH2-OD1 2.88Å; R248-R361 PolarHBondContact N-O 3.02Å; R248-E363 WeakPolarHBondContact CG-OE1 3.44Å
249	P	70.1	Confident	70.3	Confident	22 Å²	22	78.7 Å²	78.7	14%	0.143	39%	0.387	C	S	.	.	H	α-helix	trans	-50.9	-36	179.5	-23.6	13.2	0	0	0	114.8	L52 V247 F251 E252 I253 R496	L52-P249 HydrophobicContact CD1-CG 3.9Å; V247-P249 WeakPolarHBondContact O-CD 3.38Å; P249-F251 VanDerWaalsContact C-N 3.27Å; P249-F251 PolarHBondContact O-N 3.47Å; P249-E252 PolarHBondContact O-N 3.27Å; P249-I253 WeakPolarHBondContact O-CB 3.46Å; P249-I253 WeakPolarHBondContact O-CD1 3.44Å; P249-I253 WeakPolarHBondContact O-CG1 3.48Å; P249-I253 PolarHBondContact O-N 3.5Å; P249-R496 VanDerWaalsContact CD-NH1 3.3Å
250	E	71.7	Confident	71.3	Confident	59 Å²	59	78.5 Å²	78.5	28%	0.276	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-34	177.4	-66	169.8	-137.7	0	0	112.5	R248 S254 R496	R248-E250 HydrophobicContact CG-CB 4.25Å; R248-E250 IonicContact CZ-OE1 3.77Å; R248-E250 IonicContact CZ-OE2 2.79Å; R248-E250 IonicContact NE-OE1 2.76Å; R248-E250 PolarHBondContact NE-OE1 3.18Å; R248-E250 IonicContact NE-OE2 3.51Å; R248-E250 PolarHBondContact NE-OE2 2.88Å; R248-E250 IonicContact NH1-OE2 3.07Å; R248-E250 IonicContact NH2-OE1 3.87Å; R248-E250 PolarHBondContact NH2-OE1 3.33Å; R248-E250 IonicContact NH2-OE2 2.72Å; R248-E250 PolarHBondContact NH2-OE2 3.38Å; R248-E250 PolarHBondContact O-N 3.26Å; E250-S254 VanDerWaalsContact O-CB 3.24Å; E250-S254 WeakPolarHBondContact O-CB 3.23Å; E250-S254 PolarHBondContact O-N 3.23Å; E250-S254 PolarHBondContact O-OG 2.97Å; E250-R496 IonicContact OE1-CZ 2.67Å; E250-R496 IonicContact OE1-NH2 3.42Å; E250-R496 PolarHBondContact OE1-NH2 2.97Å
251	F	79	Confident	72.2	Confident	7 Å²	7	78.1 Å²	78.1	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-68.7	-48.2	173.7	-174.3	-91.7	0	0	0	110.5	V247 R248 P249 I253 S254 A255 P269 L271 F359 R361	V247-F251 HydrophobicContact CG1-CB 4.44Å; V247-F251 HydrophobicContact CG1-CD1 3.77Å; R248-F251 HydrophobicContact CB-CB 4.26Å; R248-F251 WeakPolarHBondContact O-CA 3.43Å; R248-F251 VanDerWaalsContact O-CB 3.24Å; R248-F251 WeakPolarHBondContact O-CB 3.28Å; R248-F251 PolarHBondContact O-N 3.35Å; P249-F251 VanDerWaalsContact C-N 3.27Å; P249-F251 PolarHBondContact O-N 3.47Å; F251-I253 VanDerWaalsContact C-N 3.32Å; F251-I253 PolarHBondContact O-N 3.41Å; F251-S254 PolarHBondContact O-N 3.18Å; F251-A255 HydrophobicContact CE1-CB 4.37Å; F251-A255 WeakPolarHBondContact O-CB 3.26Å; F251-A255 PolarHBondContact O-N 3.3Å; F251-P269 HydrophobicContact CD1-CB 4.22Å; F251-P269 HydrophobicContact CD1-CG 4.1Å; F251-P269 HydrophobicContact CE1-CB 3.86Å; F251-P269 HydrophobicContact CE1-CG 4Å; F251-P269 WeakPolarHBondContact CE1-O 3.41Å; F251-L271 HydrophobicContact CE2-CB 4.32Å; F251-F359 VanDerWaalsContact CA-CZ 3.49Å; F251-F359 HydrophobicContact CB-CE2 4.42Å; F251-F359 HydrophobicContact CB-CZ 4.23Å; F251-F359 AromaticContact CD2-CD1 3.6Å; F251-F359 HydrophobicContact CD2-CD1 3.6Å; F251-F359 HydrophobicContact CD2-CD2 4.46Å; F251-F359 AromaticContact CD2-CE1 3.33Å; F251-F359 HydrophobicContact CD2-CE1 3.33Å; F251-F359 HydrophobicContact CD2-CE2 4.24Å; F251-F359 HydrophobicContact CD2-CG 4.17Å; F251-F359 AromaticContact CD2-CZ 3.69Å; F251-F359 HydrophobicContact CD2-CZ 3.69Å; F251-F359 AromaticContact CE2-CD1 3.73Å; F251-F359 HydrophobicContact CE2-CD1 3.73Å; F251-F359 AromaticContact CE2-CE1 3.58Å; F251-F359 HydrophobicContact CE2-CE1 3.58Å; F251-F359 HydrophobicContact CE2-CZ 4.36Å; F251-F359 HydrophobicContact CG-CE1 4.17Å; F251-F359 HydrophobicContact CG-CZ 4.15Å; F251-R361 HydrophobicContact CD1-CB 4.3Å; F251-R361 HydrophobicContact CD1-CG 3.95Å; F251-R361 HydrophobicContact CD2-CB 4.31Å; F251-R361 HydrophobicContact CE1-CB 4.08Å; F251-R361 HydrophobicContact CE1-CG 3.71Å; F251-R361 HydrophobicContact CE2-CB 4.1Å; F251-R361 HydrophobicContact CG-CB 4.4Å; F251-R361 HydrophobicContact CG-CG 4.49Å; F251-R361 HydrophobicContact CZ-CB 3.99Å; F251-R361 HydrophobicContact CZ-CG 4.09Å
252	E	72.2	Confident	73.4	Confident	83 Å²	83	76.8 Å²	76.8	39%	0.388	39%	0.388	S	S	.	.	H	α-helix	trans	-59.1	-42.1	178	-61.8	-174.2	149.3	0	0	112.8	V247 R248 P249 P269	V247-E252 HydrophobicContact CB-CG 3.92Å; V247-E252 WeakPolarHBondContact CB-OE1 3.26Å; V247-E252 HydrophobicContact CG1-CG 3.46Å; V247-E252 VanDerWaalsContact CG1-CG 3.46Å; R248-E252 PolarHBondContact O-N 2.96Å; R248-E252 VanDerWaalsContact O-N 3.1Å; P249-E252 PolarHBondContact O-N 3.27Å; E252-P269 HydrophobicContact CG-CG 4.39Å
253	I	69.6	Low	74.5	Confident	51 Å²	51	78.1 Å²	78.1	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-74.6	-40.6	-177.2	-65	163.5	0	0	0	111.7	P249 F251	P249-I253 WeakPolarHBondContact O-CB 3.46Å; P249-I253 WeakPolarHBondContact O-CD1 3.44Å; P249-I253 WeakPolarHBondContact O-CG1 3.48Å; P249-I253 PolarHBondContact O-N 3.5Å; F251-I253 VanDerWaalsContact C-N 3.32Å; F251-I253 PolarHBondContact O-N 3.41Å
254	S	76	Confident	75.9	Confident	72 Å²	72	73.5 Å²	73.5	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-94	-17.4	-169.9	-45	0	0	0	0	113.6	E250 F251 K256	E250-S254 VanDerWaalsContact O-CB 3.24Å; E250-S254 WeakPolarHBondContact O-CB 3.23Å; E250-S254 PolarHBondContact O-N 3.23Å; E250-S254 PolarHBondContact O-OG 2.97Å; F251-S254 PolarHBondContact O-N 3.18Å; S254-K256 PolarHBondContact O-N 3.43Å
255	A	80.6	Confident	77.1	Confident	11 Å²	11	72.4 Å²	72.4	9%	0.091	37%	0.372	C	S	.	.			trans	-73.2	113.9	180	0	0	0	0	0	111.2	F251 P269 F359	F251-A255 HydrophobicContact CE1-CB 4.37Å; F251-A255 WeakPolarHBondContact O-CB 3.26Å; F251-A255 PolarHBondContact O-N 3.3Å; A255-P269 HydrophobicContact CB-CB 3.44Å; A255-P269 VanDerWaalsContact CB-CB 3.44Å; A255-F359 HydrophobicContact CB-CE1 4.14Å; A255-F359 HydrophobicContact CB-CZ 4.32Å
256	K	79.6	Confident	77.9	Confident	205 Å²	205	77.1 Å²	77.1	89%	0.891	39%	0.393	S	S	*	.			trans	-81.1	-25.7	-178.4	-62.9	-177	179.5	-179.1	0	114.1	S254	S254-K256 PolarHBondContact O-N 3.43Å
257	K	83.5	Confident	78.6	Confident	100 Å²	100	79.7 Å²	79.7	44%	0.435	40%	0.402	S	S	.	.			trans	-100.6	129.5	-173.1	-68.5	172	177.1	170.9	0	109	H270 P272 E275	K257-H270 PolarHBondContact O-N 2.89Å; K257-H270 VanDerWaalsContact O-O 3.13Å; K257-P272 HydrophobicContact CD-CG 4.01Å; K257-E275 IonicContact NZ-OE1 2.64Å; K257-E275 PolarHBondContact NZ-OE1 2.85Å
258	M	83	Confident	78.9	Confident	100 Å²	100	80.1 Å²	80.1	49%	0.493	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.8	176.5	-60.9	-68.5	179.7	0	0	110.2	M267 E268 P269	M258-M267 HydrophobicContact CB-CE 3.89Å; M258-E268 CarbonylContact C-O 3.51Å; M258-E268 VanDerWaalsContact CA-O 3.29Å; M258-E268 WeakPolarHBondContact CA-O 3.38Å; M258-P269 VanDerWaalsContact SD-CA 3.55Å; M258-P269 HydrophobicContact SD-CB 4.07Å; M258-P269 VanDerWaalsContact SD-N 3.41Å
259	K	84.3	Confident	79.2	Confident	133 Å²	133	80.4 Å²	80.4	58%	0.578	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.4	174	-176.3	178.1	178.3	-176.7	0	109.1	N261 E268 H270	K259-N261 PolarHBondContact O-N 3.42Å; K259-E268 PolarHBondContact N-O 3.31Å; K259-E268 PolarHBondContact O-N 2.98Å; K259-H270 HydrophobicContact CB-CB 3.92Å
260	L	87.6	Confident	79.9	Confident	84 Å²	84	82.2 Å²	82.2	44%	0.44	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.8	174.1	-173.5	68.2	0	0	0	109.7	Q265 M267	L260-Q265 WeakPolarHBondContact CD1-O 3.37Å; L260-M267 HydrophobicContact CB-SD 3.81Å; L260-M267 HydrophobicContact CD1-CG 4.38Å; L260-M267 HydrophobicContact CD1-SD 3.98Å
261	N	81.2	Confident	80.6	Confident	29 Å²	29	81 Å²	81	16%	0.155	41%	0.407	C	S	.	.			trans	-74.9	125.6	172.3	179.3	-19.5	0	0	0	109.3	K259 I263 T264 Q265 E266 E268	K259-N261 PolarHBondContact O-N 3.42Å; N261-I263 PolarHBondContact O-N 2.95Å; N261-I263 PolarHBondContact OD1-N 2.81Å; N261-T264 WeakPolarHBondContact CB-OG1 3.41Å; N261-T264 PolarHBondContact ND2-OG1 3.26Å; N261-Q265 VanDerWaalsContact O-CA 3.27Å; N261-Q265 WeakPolarHBondContact O-CA 3.42Å; N261-Q265 PolarHBondContact O-N 3.41Å; N261-E266 PolarHBondContact N-O 3.33Å; N261-E268 HydrophobicContact CB-CG 4.29Å; N261-E268 VanDerWaalsContact ND2-CD 3.31Å; N261-E268 PolarHBondContact ND2-OE1 3.44Å; N261-E268 PolarHBondContact ND2-OE2 3.46Å
262	P	85.5	Confident	81.1	Confident	103 Å²	103	81.7 Å²	81.7	67%	0.669	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.2	-177.6	26.6	-34.9	0	0	0	113.7	Q265	P262-Q265 PolarHBondContact O-NE2 3.26Å
263	I	78.6	Confident	81.8	Confident	127 Å²	127	85.7 Å²	85.7	65%	0.651	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-56.1	-176.2	-57	173	0	0	0	110.5	N261 Q265	N261-I263 PolarHBondContact O-N 2.95Å; N261-I263 PolarHBondContact OD1-N 2.81Å; I263-Q265 VanDerWaalsContact C-N 3.31Å; I263-Q265 PolarHBondContact O-N 3.23Å
264	T	78.9	Confident	82.7	Confident	67 Å²	67	87.4 Å²	87.4	41%	0.411	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19	-177.8	58.3	0	0	0	0	112.7	N261 E266 E268	N261-T264 WeakPolarHBondContact CB-OG1 3.41Å; N261-T264 PolarHBondContact ND2-OG1 3.26Å; T264-E266 PolarHBondContact O-N 3.23Å; T264-E266 PolarHBondContact OG1-N 3.41Å; T264-E268 PolarHBondContact OG1-OE1 3.08Å
265	Q	81.8	Confident	83.4	Confident	129 Å²	129	87.3 Å²	87.3	60%	0.603	44%	0.437	S	S	*	.			trans	58.4	20.8	-171.6	-60.8	-71.3	-48.4	0	0	112.9	L260 N261 P262 I263	L260-Q265 WeakPolarHBondContact CD1-O 3.37Å; N261-Q265 VanDerWaalsContact O-CA 3.27Å; N261-Q265 WeakPolarHBondContact O-CA 3.42Å; N261-Q265 PolarHBondContact O-N 3.41Å; P262-Q265 PolarHBondContact O-NE2 3.26Å; I263-Q265 VanDerWaalsContact C-N 3.31Å; I263-Q265 PolarHBondContact O-N 3.23Å
266	E	78.1	Confident	83.8	Confident	130 Å²	130	92.3 Å²	92.3	61%	0.607	45%	0.453	S	S	*	.			trans	-100.8	148.2	176.6	-65.1	-174.9	171.1	0	0	110.6	N261 T264 E268	N261-E266 PolarHBondContact N-O 3.33Å; T264-E266 PolarHBondContact O-N 3.23Å; T264-E266 PolarHBondContact OG1-N 3.41Å; E266-E268 PolarHBondContact O-N 3.49Å
267	M	79.4	Confident	84.4	Confident	126 Å²	126	84.9 Å²	84.9	62%	0.621	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.9	175.1	-71.7	-66.9	-72.3	0	0	108.9	M258 L260	M258-M267 HydrophobicContact CB-CE 3.89Å; L260-M267 HydrophobicContact CB-SD 3.81Å; L260-M267 HydrophobicContact CD1-CG 4.38Å; L260-M267 HydrophobicContact CD1-SD 3.98Å
268	E	79.3	Confident	84.9	Confident	33 Å²	33	85.9 Å²	85.9	15%	0.154	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.1	-175.4	-69.3	173.2	-175.9	0	0	111.7	M258 K259 N261 T264 E266 H270 R361	M258-E268 CarbonylContact C-O 3.51Å; M258-E268 VanDerWaalsContact CA-O 3.29Å; M258-E268 WeakPolarHBondContact CA-O 3.38Å; K259-E268 PolarHBondContact N-O 3.31Å; K259-E268 PolarHBondContact O-N 2.98Å; N261-E268 HydrophobicContact CB-CG 4.29Å; N261-E268 VanDerWaalsContact ND2-CD 3.31Å; N261-E268 PolarHBondContact ND2-OE1 3.44Å; N261-E268 PolarHBondContact ND2-OE2 3.46Å; T264-E268 PolarHBondContact OG1-OE1 3.08Å; E266-E268 PolarHBondContact O-N 3.49Å; E268-H270 PolarHBondContact O-N 3.31Å; E268-R361 IonicContact OE1-NH2 2.78Å; E268-R361 IonicContact OE2-CZ 3.61Å; E268-R361 IonicContact OE2-NH1 3.22Å; E268-R361 PolarHBondContact OE2-NH1 3.16Å; E268-R361 IonicContact OE2-NH2 3.15Å; E268-R361 PolarHBondContact OE2-NH2 3.19Å
269	P	82.4	Confident	85.4	Confident	18 Å²	18	84.3 Å²	84.3	12%	0.117	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	136.5	171.1	22.8	-30.5	0	0	0	110.6	F251 E252 A255 M258	F251-P269 HydrophobicContact CD1-CB 4.22Å; F251-P269 HydrophobicContact CD1-CG 4.1Å; F251-P269 HydrophobicContact CE1-CB 3.86Å; F251-P269 HydrophobicContact CE1-CG 4Å; F251-P269 WeakPolarHBondContact CE1-O 3.41Å; E252-P269 HydrophobicContact CG-CG 4.39Å; A255-P269 HydrophobicContact CB-CB 3.44Å; A255-P269 VanDerWaalsContact CB-CB 3.44Å; M258-P269 VanDerWaalsContact SD-CA 3.55Å; M258-P269 HydrophobicContact SD-CB 4.07Å; M258-P269 VanDerWaalsContact SD-N 3.41Å
270	H	84.8	Confident	85.8	Confident	59 Å²	59	82.7 Å²	82.7	27%	0.273	42%	0.42	S	S	.	.			trans	-138.5	143.5	177.6	99.6	-78.8	0	0	0	111.5	K257 K259 E268	K257-H270 PolarHBondContact O-N 2.89Å; K257-H270 VanDerWaalsContact O-O 3.13Å; K259-H270 HydrophobicContact CB-CB 3.92Å; E268-H270 PolarHBondContact O-N 3.31Å
271	L	87.1	Confident	86.1	Confident	33 Å²	33	83.6 Å²	83.6	17%	0.173	42%	0.424	C	S	.	.			trans	-98.5	127.6	168.2	-167.8	72.4	0	0	0	108.4	F251 E275 R276 F359	F251-L271 HydrophobicContact CE2-CB 4.32Å; L271-E275 HydrophobicContact CD1-CB 4.37Å; L271-E275 HydrophobicContact CG-CB 4.4Å; L271-R276 HydrophobicContact CD2-CB 3.91Å; L271-R276 HydrophobicContact CD2-CG 4.38Å; L271-F359 HydrophobicContact CD1-CD1 4.25Å; L271-F359 HydrophobicContact CD2-CD1 4.32Å
272	P	88.8	Confident	86.7	Confident	23 Å²	23	83.9 Å²	83.9	15%	0.149	43%	0.431	C	S	.	.			trans	-64.7	146	178.4	28.5	-35.3	0	0	0	110.2	K257 S274 E275 R276	K257-P272 HydrophobicContact CD-CG 4.01Å; P272-S274 VanDerWaalsContact C-N 3.31Å; P272-S274 PolarHBondContact O-N 3.17Å; P272-E275 HydrophobicContact CG-CB 4.01Å; P272-E275 VanDerWaalsContact CG-CD 3.41Å; P272-E275 HydrophobicContact CG-CG 3.74Å; P272-E275 WeakPolarHBondContact CG-OE1 3.34Å; P272-E275 PolarHBondContact O-N 2.81Å; P272-R276 PolarHBondContact O-N 3.19Å; P272-R276 VanDerWaalsContact O-N 3.15Å
273	F	87.5	Confident	87.2	Confident	167 Å²	167	79 Å²	79	73%	0.732	40%	0.399	S	S	*	.	H	α-helix	trans	-57.2	-40.4	-171.8	-178.7	-102.9	0	0	0	113.4	E275 R276 V277	F273-E275 PolarHBondContact O-N 3.5Å; F273-R276 PolarHBondContact O-N 3.05Å; F273-V277 HydrophobicContact CD1-CG2 4.05Å; F273-V277 HydrophobicContact CD2-CG2 4.27Å; F273-V277 HydrophobicContact CE1-CG2 3.62Å; F273-V277 HydrophobicContact CE2-CG2 3.87Å; F273-V277 HydrophobicContact CG-CG2 4.36Å; F273-V277 HydrophobicContact CZ-CG2 3.53Å; F273-V277 WeakPolarHBondContact O-CG2 3.23Å; F273-V277 PolarHBondContact O-N 2.93Å
274	S	88.7	Confident	87.9	Confident	86 Å²	86	74.8 Å²	74.8	60%	0.601	39%	0.388	S	S	*	.	H	α-helix	trans	-62.8	-42.1	179.9	52.7	0	0	0	0	113.1	P272 V277 L278	P272-S274 VanDerWaalsContact C-N 3.31Å; P272-S274 PolarHBondContact O-N 3.17Å; S274-V277 PolarHBondContact O-N 3.45Å; S274-L278 WeakPolarHBondContact O-CB 3.37Å; S274-L278 PolarHBondContact O-N 3.43Å
275	E	90.3	Very high	88.7	Confident	71 Å²	71	75.8 Å²	75.8	33%	0.332	39%	0.393	S	S	.	.	H	α-helix	trans	-67.6	-39.4	176.5	-66.8	178.4	-142.3	0	0	111.2	K257 L271 P272 F273 R279	K257-E275 IonicContact NZ-OE1 2.64Å; K257-E275 PolarHBondContact NZ-OE1 2.85Å; L271-E275 HydrophobicContact CD1-CB 4.37Å; L271-E275 HydrophobicContact CG-CB 4.4Å; P272-E275 HydrophobicContact CG-CB 4.01Å; P272-E275 VanDerWaalsContact CG-CD 3.41Å; P272-E275 HydrophobicContact CG-CG 3.74Å; P272-E275 WeakPolarHBondContact CG-OE1 3.34Å; P272-E275 PolarHBondContact O-N 2.81Å; F273-E275 PolarHBondContact O-N 3.5Å; E275-R279 WeakPolarHBondContact O-CG 3.29Å; E275-R279 PolarHBondContact O-N 2.84Å; E275-R279 VanDerWaalsContact O-N 3.13Å
276	R	89.9	Confident	89.4	Confident	115 Å²	115	73.4 Å²	73.4	43%	0.434	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-47.1	175.5	-171.3	178	179.8	168.9	3.9	111.2	L271 P272 F273 R279 L280 E365	L271-R276 HydrophobicContact CD2-CB 3.91Å; L271-R276 HydrophobicContact CD2-CG 4.38Å; P272-R276 PolarHBondContact O-N 3.19Å; P272-R276 VanDerWaalsContact O-N 3.15Å; F273-R276 PolarHBondContact O-N 3.05Å; R276-R279 PolarHBondContact O-N 3.35Å; R276-L280 WeakPolarHBondContact O-CB 3.3Å; R276-L280 PolarHBondContact O-N 2.98Å; R276-E365 IonicContact CZ-OE1 3.41Å; R276-E365 IonicContact NH1-OE1 2.92Å; R276-E365 IonicContact NH2-OE1 3.14Å; R276-E365 PolarHBondContact NH2-OE1 2.93Å; R276-E365 IonicContact NH2-OE2 3.36Å; R276-E365 PolarHBondContact NH2-OE2 2.99Å
277	V	92	Very high	90.2	Very high	49 Å²	49	67.8 Å²	67.8	30%	0.297	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-44.2	-179.7	170.7	0	0	0	0	111.4	F273 S274 R279 L280 I281	F273-V277 HydrophobicContact CD1-CG2 4.05Å; F273-V277 HydrophobicContact CD2-CG2 4.27Å; F273-V277 HydrophobicContact CE1-CG2 3.62Å; F273-V277 HydrophobicContact CE2-CG2 3.87Å; F273-V277 HydrophobicContact CG-CG2 4.36Å; F273-V277 HydrophobicContact CZ-CG2 3.53Å; F273-V277 WeakPolarHBondContact O-CG2 3.23Å; F273-V277 PolarHBondContact O-N 2.93Å; S274-V277 PolarHBondContact O-N 3.45Å; V277-R279 VanDerWaalsContact C-N 3.32Å; V277-R279 PolarHBondContact O-N 2.96Å; V277-L280 PolarHBondContact O-N 2.81Å; V277-I281 HydrophobicContact CG1-CD1 3.73Å; V277-I281 HydrophobicContact CG1-CG1 4.31Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 2.81Å
278	L	93.8	Very high	90.9	Very high	121 Å²	121	67 Å²	67	63%	0.634	36%	0.355	S	S	*	.	H	α-helix	trans	-60	-43.2	178.1	-179.4	63.5	0	0	0	111.8	S274 I281 A282	S274-L278 WeakPolarHBondContact O-CB 3.37Å; S274-L278 PolarHBondContact O-N 3.43Å; L278-I281 PolarHBondContact O-N 2.99Å; L278-A282 WeakPolarHBondContact O-CB 3.32Å; L278-A282 PolarHBondContact O-N 3.21Å
279	R	93.9	Very high	91.7	Very high	67 Å²	67	71.2 Å²	71.2	25%	0.253	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-41.9	175.4	-68.6	172.3	-173.9	-138.2	11.3	112	E275 R276 V277 I281 A282 S283 W357	E275-R279 WeakPolarHBondContact O-CG 3.29Å; E275-R279 PolarHBondContact O-N 2.84Å; E275-R279 VanDerWaalsContact O-N 3.13Å; R276-R279 PolarHBondContact O-N 3.35Å; V277-R279 VanDerWaalsContact C-N 3.32Å; V277-R279 PolarHBondContact O-N 2.96Å; R279-I281 PolarHBondContact O-N 2.84Å; R279-A282 PolarHBondContact O-N 3.27Å; R279-S283 VanDerWaalsContact O-CB 3.3Å; R279-S283 WeakPolarHBondContact O-CB 3.42Å; R279-S283 PolarHBondContact O-N 3.04Å; R279-W357 HydrophobicContact CB-CE3 4.25Å; R279-W357 HydrophobicContact CB-CH2 4.06Å; R279-W357 HydrophobicContact CB-CZ3 3.91Å; R279-W357 WeakPolarHBondContact CD-O 3.07Å; R279-W357 HydrophobicContact CG-CH2 3.98Å; R279-W357 HydrophobicContact CG-CZ2 4.04Å; R279-W357 HydrophobicContact CG-CZ3 4.27Å; R279-W357 PolarHBondContact NH1-O 3.12Å; R279-W357 WeakPolarHBondContact O-CZ3 3.36Å
280	L	91.9	Very high	92.4	Very high	100 Å²	100	71 Å²	71	52%	0.524	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177.8	-174	64.6	0	0	0	111.9	R276 V277 S283 G284	R276-L280 WeakPolarHBondContact O-CB 3.3Å; R276-L280 PolarHBondContact O-N 2.98Å; V277-L280 PolarHBondContact O-N 2.81Å; L280-S283 PolarHBondContact O-N 3.47Å; L280-G284 PolarHBondContact O-N 3.27Å
281	I	94.6	Very high	92.9	Very high	102 Å²	102	69 Å²	69	52%	0.523	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-50	177.4	-69.1	168.8	0	0	0	110.7	V277 L278 R279 S283 G284 V285	V277-I281 HydrophobicContact CG1-CD1 3.73Å; V277-I281 HydrophobicContact CG1-CG1 4.31Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 2.81Å; L278-I281 PolarHBondContact O-N 2.99Å; R279-I281 PolarHBondContact O-N 2.84Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.39Å; I281-G284 CarbonylContact O-C 3.59Å; I281-G284 WeakPolarHBondContact O-CA 3.36Å; I281-G284 PolarHBondContact O-N 3.47Å; I281-G284 VanDerWaalsContact O-N 3.11Å; I281-V285 HydrophobicContact CG2-CG2 4.43Å; I281-V285 WeakPolarHBondContact O-CG2 3.32Å; I281-V285 PolarHBondContact O-N 3.23Å
282	A	94.6	Very high	93.3	Very high	36 Å²	36	70.8 Å²	70.8	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-38.1	-179.3	0	0	0	0	0	112.4	L278 R279 V285 M286 W357	L278-A282 WeakPolarHBondContact O-CB 3.32Å; L278-A282 PolarHBondContact O-N 3.21Å; R279-A282 PolarHBondContact O-N 3.27Å; A282-V285 PolarHBondContact O-N 3.47Å; A282-M286 WeakPolarHBondContact O-CG 3.46Å; A282-M286 PolarHBondContact O-N 3.03Å; A282-M286 VanDerWaalsContact O-N 3.12Å; A282-W357 HydrophobicContact CB-CH2 3.41Å; A282-W357 VanDerWaalsContact CB-CH2 3.41Å; A282-W357 HydrophobicContact CB-CZ3 3.55Å
283	S	94.7	Very high	93.6	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-62	-45	170.5	-179.6	0	0	0	0	111.3	R279 L280 I281 V285 M286 V287 E358 K373	R279-S283 VanDerWaalsContact O-CB 3.3Å; R279-S283 WeakPolarHBondContact O-CB 3.42Å; R279-S283 PolarHBondContact O-N 3.04Å; L280-S283 PolarHBondContact O-N 3.47Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.39Å; S283-V285 PolarHBondContact O-N 2.92Å; S283-M286 PolarHBondContact O-N 2.85Å; S283-V287 WeakPolarHBondContact O-CG2 3.31Å; S283-V287 PolarHBondContact O-N 3.06Å; S283-E358 WeakPolarHBondContact CB-OE1 3.32Å; S283-E358 PolarHBondContact OG-OE1 2.79Å; S283-K373 VanDerWaalsContact OG-CE 3.26Å; S283-K373 WeakPolarHBondContact OG-CE 3.45Å
284	G	94.2	Very high	93.9	Very high	39 Å²	39	64.7 Å²	64.7	40%	0.402	35%	0.351	S	S	.	.	H	α-helix	trans	-60.2	-40.2	176.2	0	0	0	0	0	113.7	L280 I281 V287 L288	L280-G284 PolarHBondContact O-N 3.27Å; I281-G284 CarbonylContact O-C 3.59Å; I281-G284 WeakPolarHBondContact O-CA 3.36Å; I281-G284 PolarHBondContact O-N 3.47Å; I281-G284 VanDerWaalsContact O-N 3.11Å; G284-V287 PolarHBondContact O-N 3.47Å; G284-L288 WeakPolarHBondContact O-CB 3.16Å; G284-L288 PolarHBondContact O-N 3.45Å
285	V	96	Very high	94.1	Very high	88 Å²	88	64.8 Å²	64.8	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-43.4	174.8	171.4	0	0	0	0	110.9	I281 A282 S283 L288 F289	I281-V285 HydrophobicContact CG2-CG2 4.43Å; I281-V285 WeakPolarHBondContact O-CG2 3.32Å; I281-V285 PolarHBondContact O-N 3.23Å; A282-V285 PolarHBondContact O-N 3.47Å; S283-V285 PolarHBondContact O-N 2.92Å; V285-L288 PolarHBondContact O-N 3.44Å; V285-F289 PolarHBondContact O-N 3.12Å
286	M	94.9	Very high	94.3	Very high	79 Å²	79	64 Å²	64	39%	0.389	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-39.7	176.3	-72.8	-56.3	-55.2	0	0	112.5	A282 S283 F289 C290 L354	A282-M286 WeakPolarHBondContact O-CG 3.46Å; A282-M286 PolarHBondContact O-N 3.03Å; A282-M286 VanDerWaalsContact O-N 3.12Å; S283-M286 PolarHBondContact O-N 2.85Å; M286-F289 PolarHBondContact O-N 3.11Å; M286-C290 PolarHBondContact O-N 3.43Å; M286-C290 VanDerWaalsContact O-N 3.09Å; M286-C290 PolarHBondContact O-SG 3.45Å; M286-L354 HydrophobicContact CB-CD1 4.1Å; M286-L354 HydrophobicContact CB-CD2 4.02Å; M286-L354 HydrophobicContact CG-CD2 4.24Å
287	V	95.3	Very high	94.5	Very high	12 Å²	12	62.6 Å²	62.6	7%	0.073	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-50	173.3	171.5	0	0	0	0	110	S283 G284 F289 C290 L291 L354 K373 L376	S283-V287 WeakPolarHBondContact O-CG2 3.31Å; S283-V287 PolarHBondContact O-N 3.06Å; G284-V287 PolarHBondContact O-N 3.47Å; V287-F289 VanDerWaalsContact C-N 3.32Å; V287-F289 PolarHBondContact O-N 2.91Å; V287-C290 WeakPolarHBondContact O-CB 3.41Å; V287-C290 PolarHBondContact O-N 2.96Å; V287-L291 HydrophobicContact CG1-CD1 4.29Å; V287-L291 HydrophobicContact CG1-CG 4.35Å; V287-L291 WeakPolarHBondContact O-CG 3.49Å; V287-L291 PolarHBondContact O-N 3.41Å; V287-L354 HydrophobicContact CG2-CD1 4.35Å; V287-K373 HydrophobicContact CG2-CD 3.81Å; V287-K373 HydrophobicContact CG2-CG 4.03Å; V287-L376 HydrophobicContact CG1-CD2 4.46Å
288	L	95.5	Very high	94.4	Very high	108 Å²	108	60.9 Å²	60.9	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-57.8	-43.7	179	-177.9	64.5	0	0	0	112.1	G284 V285 C290 L291 C292	G284-L288 WeakPolarHBondContact O-CB 3.16Å; G284-L288 PolarHBondContact O-N 3.45Å; V285-L288 PolarHBondContact O-N 3.44Å; L288-C290 VanDerWaalsContact C-N 3.32Å; L288-C290 PolarHBondContact O-N 2.93Å; L288-L291 PolarHBondContact O-N 3.47Å; L288-C292 PolarHBondContact O-N 2.94Å; L288-C292 PolarHBondContact O-SG 3.35Å; L288-C292 VanDerWaalsContact O-SG 3.41Å
289	F	96.1	Very high	94.2	Very high	123 Å²	123	59.7 Å²	59.7	54%	0.539	33%	0.327	S	S	.	.	H	α-helix	trans	-56.5	-45.2	173.8	173.2	-99.5	0	0	0	112	V285 M286 V287 L291 C292 L293	V285-F289 PolarHBondContact O-N 3.12Å; M286-F289 PolarHBondContact O-N 3.11Å; V287-F289 VanDerWaalsContact C-N 3.32Å; V287-F289 PolarHBondContact O-N 2.91Å; F289-L291 VanDerWaalsContact C-N 3.34Å; F289-L291 PolarHBondContact O-N 3.19Å; F289-C292 PolarHBondContact O-N 3.34Å; F289-L293 HydrophobicContact CE1-CD1 4.47Å; F289-L293 WeakPolarHBondContact O-CB 3.23Å; F289-L293 PolarHBondContact O-N 3.2Å
290	C	95.4	Very high	94.1	Very high	12 Å²	12	59.5 Å²	59.5	8%	0.081	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-36.9	177.3	-64	0	0	0	0	112.4	M286 V287 L288 L293 V294 Y347 L350 F377	M286-C290 PolarHBondContact O-N 3.43Å; M286-C290 VanDerWaalsContact O-N 3.09Å; M286-C290 PolarHBondContact O-SG 3.45Å; V287-C290 WeakPolarHBondContact O-CB 3.41Å; V287-C290 PolarHBondContact O-N 2.96Å; L288-C290 VanDerWaalsContact C-N 3.32Å; L288-C290 PolarHBondContact O-N 2.93Å; C290-L293 PolarHBondContact O-N 3.43Å; C290-V294 WeakPolarHBondContact O-CG2 3.31Å; C290-V294 PolarHBondContact O-N 3.4Å; C290-Y347 HydrophobicContact CB-CD2 3.92Å; C290-Y347 HydrophobicContact CB-CE2 3.66Å; C290-L350 VanDerWaalsContact SG-CD2 3.55Å; C290-F377 HydrophobicContact CB-CD2 4.3Å; C290-F377 HydrophobicContact CB-CE2 4.26Å
291	L	95.3	Very high	94.1	Very high	18 Å²	18	55.5 Å²	55.5	9%	0.094	32%	0.315	C	S	.	.	H	α-helix	trans	-64.8	-43.2	175.5	-62.7	-177.7	0	0	0	111.6	V287 L288 F289 L293 V294 L295 L376 F377 I380	V287-L291 HydrophobicContact CG1-CD1 4.29Å; V287-L291 HydrophobicContact CG1-CG 4.35Å; V287-L291 WeakPolarHBondContact O-CG 3.49Å; V287-L291 PolarHBondContact O-N 3.41Å; L288-L291 PolarHBondContact O-N 3.47Å; F289-L291 VanDerWaalsContact C-N 3.34Å; F289-L291 PolarHBondContact O-N 3.19Å; L291-L293 VanDerWaalsContact C-N 3.31Å; L291-L293 PolarHBondContact O-N 2.55Å; L291-V294 PolarHBondContact O-N 3.16Å; L291-L295 WeakPolarHBondContact O-CG 3.26Å; L291-L295 PolarHBondContact O-N 3.09Å; L291-L295 VanDerWaalsContact O-N 3.12Å; L291-L376 HydrophobicContact CD1-CD2 3.8Å; L291-L376 HydrophobicContact CD1-CG 4.01Å; L291-L376 HydrophobicContact CD2-CG 4.42Å; L291-F377 HydrophobicContact CD2-CB 4.21Å; L291-F377 HydrophobicContact CD2-CD2 4.22Å; L291-I380 HydrophobicContact CB-CD1 4.28Å; L291-I380 HydrophobicContact CD1-CD1 3.8Å; L291-I380 HydrophobicContact CD2-CB 4.48Å; L291-I380 HydrophobicContact CD2-CD1 3.63Å; L291-I380 HydrophobicContact CG-CD1 4.08Å
292	C	95.8	Very high	93.8	Very high	71 Å²	71	51.4 Å²	51.4	48%	0.48	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-39.2	174.4	-67.5	0	0	0	0	112.1	L288 F289 L295 A296	L288-C292 PolarHBondContact O-N 2.94Å; L288-C292 PolarHBondContact O-SG 3.35Å; L288-C292 VanDerWaalsContact O-SG 3.41Å; F289-C292 PolarHBondContact O-N 3.34Å; C292-L295 PolarHBondContact O-N 2.92Å; C292-A296 PolarHBondContact O-N 2.86Å
293	L	94.7	Very high	93.5	Very high	62 Å²	62	51.3 Å²	51.3	33%	0.325	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-41.8	176.1	172.8	151.3	0	0	0	111.8	F289 C290 L291 A296 F297 L343	F289-L293 HydrophobicContact CE1-CD1 4.47Å; F289-L293 WeakPolarHBondContact O-CB 3.23Å; F289-L293 PolarHBondContact O-N 3.2Å; C290-L293 PolarHBondContact O-N 3.43Å; L291-L293 VanDerWaalsContact C-N 3.31Å; L291-L293 PolarHBondContact O-N 2.55Å; L293-A296 WeakPolarHBondContact O-CB 3.31Å; L293-A296 PolarHBondContact O-N 3.49Å; L293-F297 HydrophobicContact CD1-CE2 4.39Å; L293-F297 HydrophobicContact CD2-CD2 3.63Å; L293-F297 HydrophobicContact CD2-CE2 3.49Å; L293-F297 VanDerWaalsContact CD2-CE2 3.49Å; L293-F297 HydrophobicContact CG-CD2 4.03Å; L293-F297 HydrophobicContact CG-CE2 3.75Å; L293-F297 VanDerWaalsContact O-CD2 3.22Å; L293-F297 WeakPolarHBondContact O-CD2 3.14Å; L293-F297 PolarHBondContact O-N 2.74Å; L293-L343 HydrophobicContact CD2-CD2 4.37Å
294	V	94.1	Very high	93.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-45.7	174.1	170.5	0	0	0	0	111.2	C290 L291 A296 F297 T298 F377 I380 N381	C290-V294 WeakPolarHBondContact O-CG2 3.31Å; C290-V294 PolarHBondContact O-N 3.4Å; L291-V294 PolarHBondContact O-N 3.16Å; V294-A296 VanDerWaalsContact C-N 3.27Å; V294-A296 PolarHBondContact O-N 2.83Å; V294-F297 PolarHBondContact O-N 3.41Å; V294-F297 VanDerWaalsContact O-N 3.15Å; V294-T298 HydrophobicContact CG1-CG2 4.34Å; V294-T298 WeakPolarHBondContact O-CG2 3.42Å; V294-T298 PolarHBondContact O-N 3.32Å; V294-F377 HydrophobicContact CG2-CD2 3.92Å; V294-F377 HydrophobicContact CG2-CE1 4.35Å; V294-F377 HydrophobicContact CG2-CE2 3.18Å; V294-F377 HydrophobicContact CG2-CZ 3.44Å; V294-F377 VanDerWaalsContact CG2-CZ 3.44Å; V294-I380 HydrophobicContact CB-CG2 4.46Å; V294-I380 HydrophobicContact CG1-CG2 3.92Å; V294-N381 HydrophobicContact CG1-CB 3.99Å
295	L	94	Very high	93.1	Very high	87 Å²	87	54.1 Å²	54.1	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-37.5	177	-65.8	175.6	0	0	0	111.7	L291 C292 T298 F299 I380	L291-L295 WeakPolarHBondContact O-CG 3.26Å; L291-L295 PolarHBondContact O-N 3.09Å; L291-L295 VanDerWaalsContact O-N 3.12Å; C292-L295 PolarHBondContact O-N 2.92Å; L295-T298 WeakPolarHBondContact CA-OG1 3.38Å; L295-T298 PolarHBondContact O-N 2.71Å; L295-T298 PolarHBondContact O-OG1 2.83Å; L295-F299 WeakPolarHBondContact O-CB 3.35Å; L295-F299 PolarHBondContact O-N 2.69Å; L295-I380 HydrophobicContact CD2-CG2 3.87Å; L295-I380 HydrophobicContact CG-CG2 4.24Å
296	A	94.4	Very high	92.5	Very high	55 Å²	55	50.2 Å²	50.2	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-40.7	174.6	0	0	0	0	0	112.8	C292 L293 V294 T298 F299 S300	C292-A296 PolarHBondContact O-N 2.86Å; L293-A296 WeakPolarHBondContact O-CB 3.31Å; L293-A296 PolarHBondContact O-N 3.49Å; V294-A296 VanDerWaalsContact C-N 3.27Å; V294-A296 PolarHBondContact O-N 2.83Å; A296-T298 VanDerWaalsContact C-N 3.34Å; A296-F299 PolarHBondContact O-N 3.42Å; A296-S300 PolarHBondContact O-N 3.02Å; A296-S300 PolarHBondContact O-OG 3.02Å
297	F	93.1	Very high	92.2	Very high	85 Å²	85	50.1 Å²	50.1	37%	0.373	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-40.4	172.3	-81.8	-69.4	0	0	0	111.9	L293 V294 F299 S300 I301 L343	L293-F297 HydrophobicContact CD1-CE2 4.39Å; L293-F297 HydrophobicContact CD2-CD2 3.63Å; L293-F297 HydrophobicContact CD2-CE2 3.49Å; L293-F297 VanDerWaalsContact CD2-CE2 3.49Å; L293-F297 HydrophobicContact CG-CD2 4.03Å; L293-F297 HydrophobicContact CG-CE2 3.75Å; L293-F297 VanDerWaalsContact O-CD2 3.22Å; L293-F297 WeakPolarHBondContact O-CD2 3.14Å; L293-F297 PolarHBondContact O-N 2.74Å; V294-F297 PolarHBondContact O-N 3.41Å; V294-F297 VanDerWaalsContact O-N 3.15Å; F297-F299 VanDerWaalsContact C-N 3.33Å; F297-F299 PolarHBondContact O-N 3.04Å; F297-S300 WeakPolarHBondContact O-CB 3.45Å; F297-S300 PolarHBondContact O-N 3.44Å; F297-S300 VanDerWaalsContact O-N 3.13Å; F297-I301 PolarHBondContact O-N 3.16Å; F297-L343 HydrophobicContact CB-CD1 4.43Å; F297-L343 HydrophobicContact CD2-CD1 3.99Å; F297-L343 HydrophobicContact CD2-CD2 4.46Å; F297-L343 HydrophobicContact CE2-CD2 4.3Å; F297-L343 HydrophobicContact CG-CD1 4.28Å
298	T	89.8	Confident	91.9	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.08	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-38.6	178	66.3	0	0	0	0	111.7	V294 L295 A296 S300 I301 I302 S384	V294-T298 HydrophobicContact CG1-CG2 4.34Å; V294-T298 WeakPolarHBondContact O-CG2 3.42Å; V294-T298 PolarHBondContact O-N 3.32Å; L295-T298 WeakPolarHBondContact CA-OG1 3.38Å; L295-T298 PolarHBondContact O-N 2.71Å; L295-T298 PolarHBondContact O-OG1 2.83Å; A296-T298 VanDerWaalsContact C-N 3.34Å; T298-S300 VanDerWaalsContact C-N 3.31Å; T298-S300 PolarHBondContact O-N 3.28Å; T298-I301 PolarHBondContact O-N 2.9Å; T298-I302 WeakPolarHBondContact O-CD1 3.42Å; T298-I302 VanDerWaalsContact O-CG1 3.27Å; T298-I302 WeakPolarHBondContact O-CG1 3.41Å; T298-I302 PolarHBondContact O-N 3.45Å; T298-S384 WeakPolarHBondContact CG2-OG 3.35Å
299	F	90.7	Very high	91.3	Very high	96 Å²	96	45.8 Å²	45.8	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-38.6	172	-175.5	-104	0	0	0	111.7	L295 A296 F297 I301 I302 L303 I407	L295-F299 WeakPolarHBondContact O-CB 3.35Å; L295-F299 PolarHBondContact O-N 2.69Å; A296-F299 PolarHBondContact O-N 3.42Å; F297-F299 VanDerWaalsContact C-N 3.33Å; F297-F299 PolarHBondContact O-N 3.04Å; F299-I301 VanDerWaalsContact C-N 3.34Å; F299-I301 PolarHBondContact O-N 2.99Å; F299-I302 WeakPolarHBondContact O-CB 3.35Å; F299-I302 PolarHBondContact O-N 3.19Å; F299-L303 HydrophobicContact CD1-CD1 3.91Å; F299-L303 HydrophobicContact CD1-CG 4.26Å; F299-L303 HydrophobicContact CE1-CD1 3.53Å; F299-L303 HydrophobicContact CE1-CD2 4.3Å; F299-L303 HydrophobicContact CE1-CG 3.93Å; F299-L303 HydrophobicContact CZ-CD1 4.24Å; F299-L303 HydrophobicContact CZ-CD2 4.17Å; F299-L303 HydrophobicContact CZ-CG 4.21Å; F299-L303 WeakPolarHBondContact O-CG 3.31Å; F299-L303 PolarHBondContact O-N 3.46Å; F299-I407 HydrophobicContact CZ-CG2 4.24Å
300	S	92.1	Very high	90.6	Very high	64 Å²	64	40.9 Å²	40.9	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-38.1	175.6	-55.6	0	0	0	0	112.2	A296 F297 T298 L303 Y304	A296-S300 PolarHBondContact O-N 3.02Å; A296-S300 PolarHBondContact O-OG 3.02Å; F297-S300 WeakPolarHBondContact O-CB 3.45Å; F297-S300 PolarHBondContact O-N 3.44Å; F297-S300 VanDerWaalsContact O-N 3.13Å; T298-S300 VanDerWaalsContact C-N 3.31Å; T298-S300 PolarHBondContact O-N 3.28Å; S300-L303 PolarHBondContact O-N 3.31Å; S300-Y304 PolarHBondContact O-N 3.43Å
301	I	91.4	Very high	90.1	Very high	15 Å²	15	46.3 Å²	46.3	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-36.8	174.1	-70.8	-61.9	0	0	0	112.2	F297 T298 F299 Y304 R305 A332 L335 N336 I339	F297-I301 PolarHBondContact O-N 3.16Å; T298-I301 PolarHBondContact O-N 2.9Å; F299-I301 VanDerWaalsContact C-N 3.34Å; F299-I301 PolarHBondContact O-N 2.99Å; I301-Y304 WeakPolarHBondContact O-CB 3.27Å; I301-Y304 PolarHBondContact O-N 2.83Å; I301-R305 PolarHBondContact O-N 2.63Å; I301-A332 HydrophobicContact CG2-CB 4.43Å; I301-L335 HydrophobicContact CD1-CB 4.28Å; I301-L335 HydrophobicContact CD1-CD2 3.49Å; I301-L335 VanDerWaalsContact CD1-CD2 3.49Å; I301-L335 HydrophobicContact CD1-CG 3.65Å; I301-N336 HydrophobicContact CG2-CB 4.21Å; I301-I339 HydrophobicContact CD1-CD1 3.67Å; I301-I339 HydrophobicContact CG1-CD1 4.08Å
302	I	87	Confident	89.6	Confident	17 Å²	17	47.9 Å²	47.9	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-45.6	173.6	-67.5	158.9	0	0	0	110.2	T298 F299 Y304 R305 I306 Y388	T298-I302 WeakPolarHBondContact O-CD1 3.42Å; T298-I302 VanDerWaalsContact O-CG1 3.27Å; T298-I302 WeakPolarHBondContact O-CG1 3.41Å; T298-I302 PolarHBondContact O-N 3.45Å; F299-I302 WeakPolarHBondContact O-CB 3.35Å; F299-I302 PolarHBondContact O-N 3.19Å; I302-Y304 PolarHBondContact O-N 2.93Å; I302-R305 WeakPolarHBondContact O-CB 3.27Å; I302-R305 PolarHBondContact O-N 3.2Å; I302-I306 HydrophobicContact CG2-CD1 4.12Å; I302-I306 WeakPolarHBondContact O-CG1 3.42Å; I302-I306 PolarHBondContact O-N 3.17Å; I302-Y388 HydrophobicContact CB-CE1 4.27Å; I302-Y388 HydrophobicContact CD1-CD1 3.45Å; I302-Y388 VanDerWaalsContact CD1-CD1 3.45Å; I302-Y388 HydrophobicContact CD1-CD2 3.5Å; I302-Y388 HydrophobicContact CD1-CE1 3.75Å; I302-Y388 HydrophobicContact CD1-CE2 3.8Å; I302-Y388 HydrophobicContact CD1-CG 3.31Å; I302-Y388 HydrophobicContact CG1-CD1 3.62Å; I302-Y388 HydrophobicContact CG1-CD2 4.48Å; I302-Y388 HydrophobicContact CG1-CE1 3.67Å; I302-Y388 HydrophobicContact CG1-CG 4.05Å; I302-Y388 HydrophobicContact CG2-CD1 4.39Å; I302-Y388 HydrophobicContact CG2-CE1 3.57Å; I302-Y388 HydrophobicContact CG2-CE2 4.18Å; I302-Y388 VanDerWaalsContact CG2-CZ 3.44Å; I302-Y388 WeakPolarHBondContact CG2-OH 3.07Å
303	L	89.1	Confident	88.8	Confident	34 Å²	34	45.5 Å²	45.5	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-42.7	174.8	-70.5	177.5	0	0	0	112.2	F299 S300 R305 I306 I307 I407 L408	F299-L303 HydrophobicContact CD1-CD1 3.91Å; F299-L303 HydrophobicContact CD1-CG 4.26Å; F299-L303 HydrophobicContact CE1-CD1 3.53Å; F299-L303 HydrophobicContact CE1-CD2 4.3Å; F299-L303 HydrophobicContact CE1-CG 3.93Å; F299-L303 HydrophobicContact CZ-CD1 4.24Å; F299-L303 HydrophobicContact CZ-CD2 4.17Å; F299-L303 HydrophobicContact CZ-CG 4.21Å; F299-L303 WeakPolarHBondContact O-CG 3.31Å; F299-L303 PolarHBondContact O-N 3.46Å; S300-L303 PolarHBondContact O-N 3.31Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 2.95Å; L303-I306 HydrophobicContact CD2-CD1 4.49Å; L303-I306 PolarHBondContact O-N 2.8Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.47Å; L303-I307 PolarHBondContact O-N 3.01Å; L303-I407 HydrophobicContact CD2-CG2 4.08Å; L303-L408 HydrophobicContact CD1-CD1 3.96Å; L303-L408 HydrophobicContact CD2-CD1 4.19Å
304	Y	92.1	Very high	88	Confident	84 Å²	84	49.2 Å²	49.2	33%	0.329	24%	0.243	S	C	.	.	H	α-helix	trans	-55.2	-46	174	166.2	-93.5	0	0	0	111.2	S300 I301 I302 I306 I307 V308 A332 L335	S300-Y304 PolarHBondContact O-N 3.43Å; I301-Y304 WeakPolarHBondContact O-CB 3.27Å; I301-Y304 PolarHBondContact O-N 2.83Å; I302-Y304 PolarHBondContact O-N 2.93Å; Y304-I306 PolarHBondContact O-N 3.43Å; Y304-I307 PolarHBondContact O-N 3.48Å; Y304-V308 HydrophobicContact CD1-CG2 4.38Å; Y304-V308 HydrophobicContact CD2-CG2 3.99Å; Y304-V308 HydrophobicContact CE1-CG2 3.99Å; Y304-V308 HydrophobicContact CE2-CG2 3.57Å; Y304-V308 HydrophobicContact CG-CG2 4.38Å; Y304-V308 WeakPolarHBondContact O-CB 3.09Å; Y304-V308 VanDerWaalsContact O-CG2 3.28Å; Y304-V308 WeakPolarHBondContact O-CG2 3.49Å; Y304-V308 PolarHBondContact O-N 3.42Å; Y304-A332 HydrophobicContact CD1-CB 4.17Å; Y304-A332 HydrophobicContact CE1-CB 4.23Å; Y304-L335 HydrophobicContact CD1-CD2 4.06Å; Y304-L335 HydrophobicContact CD2-CD2 4.26Å; Y304-L335 HydrophobicContact CE1-CD2 4.07Å; Y304-L335 HydrophobicContact CE2-CD2 4.25Å; Y304-L335 HydrophobicContact CG-CD2 4.17Å
305	R	88.7	Confident	87.5	Confident	13 Å²	13	53.1 Å²	53.1	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-43.4	179.3	-165.9	-169.3	-179.6	-166.1	11.4	112.5	I301 I302 L303 I307 V308 S309 A328 S329 A332 K393 E413 E423	I301-R305 PolarHBondContact O-N 2.63Å; I302-R305 WeakPolarHBondContact O-CB 3.27Å; I302-R305 PolarHBondContact O-N 3.2Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 2.95Å; R305-I307 PolarHBondContact O-N 3.25Å; R305-V308 PolarHBondContact O-N 3.39Å; R305-S309 WeakPolarHBondContact O-CB 3.48Å; R305-S309 PolarHBondContact O-N 3.25Å; R305-A328 HydrophobicContact CG-CB 4.36Å; R305-S329 PolarHBondContact NH2-OG 3.45Å; R305-A332 HydrophobicContact CB-CB 4.07Å; R305-A332 HydrophobicContact CG-CB 4.03Å; R305-K393 VanDerWaalsContact CZ-NZ 3.31Å; R305-K393 VanDerWaalsContact NH1-NZ 3.11Å; R305-E413 VanDerWaalsContact C-OE1 3.32Å; R305-E413 WeakPolarHBondContact CB-OE1 3.33Å; R305-E413 VanDerWaalsContact CD-OE1 3.23Å; R305-E413 WeakPolarHBondContact CD-OE1 3.37Å; R305-E413 WeakPolarHBondContact CD-OE2 3.48Å; R305-E413 WeakPolarHBondContact CG-OE1 3.48Å; R305-E413 IonicContact CZ-OE2 3.71Å; R305-E413 IonicContact NE-OE1 2.75Å; R305-E413 IonicContact NE-OE2 3.1Å; R305-E413 IonicContact NH1-OE2 3.79Å; R305-E413 PolarHBondContact NH1-OE2 3.29Å; R305-E423 IonicContact CZ-OE2 3.07Å; R305-E423 IonicContact NH1-OE2 2.62Å; R305-E423 PolarHBondContact NH1-OE2 3.01Å; R305-E423 IonicContact NH2-OE1 2.61Å; R305-E423 PolarHBondContact NH2-OE1 2.9Å; R305-E423 IonicContact NH2-OE2 3.61Å; R305-E423 PolarHBondContact NH2-OE2 3.47Å
306	I	83.3	Confident	86.8	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-47.6	176.2	-67.5	164.9	0	0	0	110.4	I302 L303 Y304 H310 Y410 E413	I302-I306 HydrophobicContact CG2-CD1 4.12Å; I302-I306 WeakPolarHBondContact O-CG1 3.42Å; I302-I306 PolarHBondContact O-N 3.17Å; L303-I306 HydrophobicContact CD2-CD1 4.49Å; L303-I306 PolarHBondContact O-N 2.8Å; Y304-I306 PolarHBondContact O-N 3.43Å; I306-H310 WeakPolarHBondContact O-CB 3.3Å; I306-H310 PolarHBondContact O-CD2 2.96Å; I306-H310 VanDerWaalsContact O-CD2 3.24Å; I306-H310 PolarHBondContact O-N 3.37Å; I306-Y410 HydrophobicContact CG2-CG 4.41Å; I306-E413 HydrophobicContact CG1-CB 4.1Å; I306-E413 HydrophobicContact CG1-CG 3.84Å; I306-E413 PolarHBondContact N-OE1 2.89Å
307	I	87.9	Confident	86.2	Confident	76 Å²	76	56.9 Å²	56.9	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-45.6	-179.3	-66.3	164.5	0	0	0	110.9	L303 Y304 R305 H310 H311 Y410	L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.47Å; L303-I307 PolarHBondContact O-N 3.01Å; Y304-I307 PolarHBondContact O-N 3.48Å; R305-I307 PolarHBondContact O-N 3.25Å; I307-H310 PolarHBondContact O-N 3.07Å; I307-H311 WeakPolarHBondContact O-CB 3.34Å; I307-H311 PolarHBondContact O-N 3.2Å; I307-Y410 HydrophobicContact CG1-CD2 4.49Å; I307-Y410 HydrophobicContact CG1-CE1 4.47Å; I307-Y410 HydrophobicContact CG1-CE2 4.16Å
308	V	89.4	Confident	85.5	Confident	22 Å²	22	57.5 Å²	57.5	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-40.5	-178.9	169.9	0	0	0	0	111.5	Y304 R305 H311 F312 A328	Y304-V308 HydrophobicContact CD1-CG2 4.38Å; Y304-V308 HydrophobicContact CD2-CG2 3.99Å; Y304-V308 HydrophobicContact CE1-CG2 3.99Å; Y304-V308 HydrophobicContact CE2-CG2 3.57Å; Y304-V308 HydrophobicContact CG-CG2 4.38Å; Y304-V308 WeakPolarHBondContact O-CB 3.09Å; Y304-V308 VanDerWaalsContact O-CG2 3.28Å; Y304-V308 WeakPolarHBondContact O-CG2 3.49Å; Y304-V308 PolarHBondContact O-N 3.42Å; R305-V308 PolarHBondContact O-N 3.39Å; V308-H311 PolarHBondContact O-N 2.96Å; V308-F312 HydrophobicContact CG1-CD2 3.49Å; V308-F312 VanDerWaalsContact CG1-CD2 3.49Å; V308-F312 HydrophobicContact CG1-CE2 3.26Å; V308-F312 HydrophobicContact CG1-CZ 4.35Å; V308-F312 VanDerWaalsContact O-CD2 3.22Å; V308-F312 WeakPolarHBondContact O-CD2 3.36Å; V308-F312 PolarHBondContact O-N 3.02Å; V308-A328 HydrophobicContact CG1-CB 4.03Å
309	S	83.4	Confident	84.9	Confident	8 Å²	8	65.4 Å²	65.4	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-50.5	174.9	-175.2	0	0	0	0	111	R305 H311 F312 D313 N325	R305-S309 WeakPolarHBondContact O-CB 3.48Å; R305-S309 PolarHBondContact O-N 3.25Å; S309-H311 VanDerWaalsContact C-N 3.26Å; S309-H311 PolarHBondContact O-N 3.26Å; S309-F312 PolarHBondContact O-N 3.31Å; S309-F312 VanDerWaalsContact O-N 3.16Å; S309-D313 PolarHBondContact O-N 2.91Å; S309-N325 PolarHBondContact OG-OD1 3.42Å
310	H	80.4	Confident	84.5	Confident	20 Å²	20	62.6 Å²	62.6	9%	0.093	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-33.6	175.4	-79.6	-49.6	0	0	0	113.8	N178 C179 I306 I307 R314 Y410	N178-H310 PolarHBondContact O-CE1 2.98Å; C179-H310 WeakPolarHBondContact CB-CE1 3.26Å; C179-H310 WeakPolarHBondContact CB-ND1 2.83Å; I306-H310 WeakPolarHBondContact O-CB 3.3Å; I306-H310 PolarHBondContact O-CD2 2.96Å; I306-H310 VanDerWaalsContact O-CD2 3.24Å; I306-H310 PolarHBondContact O-N 3.37Å; I307-H310 PolarHBondContact O-N 3.07Å; H310-R314 WeakPolarHBondContact O-CG 3.12Å; H310-R314 PolarHBondContact O-N 3.31Å; H310-Y410 AromaticContact CD2-CD1 3.8Å
311	H	85.2	Confident	83.7	Confident	125 Å²	125	62.9 Å²	62.9	58%	0.579	30%	0.297	S	S	*	.	H	α-helix	trans	-68.6	-44	176.1	-174.9	73.5	0	0	0	111.8	I307 V308 S309 R314 H315	I307-H311 WeakPolarHBondContact O-CB 3.34Å; I307-H311 PolarHBondContact O-N 3.2Å; V308-H311 PolarHBondContact O-N 2.96Å; S309-H311 VanDerWaalsContact C-N 3.26Å; S309-H311 PolarHBondContact O-N 3.26Å; H311-R314 PolarHBondContact O-N 3.01Å; H311-H315 PolarHBondContact O-N 3.44Å
312	F	85.8	Confident	83	Confident	51 Å²	51	66.2 Å²	66.2	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-70.8	-32.3	177.4	-74.4	-51.7	0	0	0	113.1	V308 S309 R314 H315 V320 A324 V327	V308-F312 HydrophobicContact CG1-CD2 3.49Å; V308-F312 VanDerWaalsContact CG1-CD2 3.49Å; V308-F312 HydrophobicContact CG1-CE2 3.26Å; V308-F312 HydrophobicContact CG1-CZ 4.35Å; V308-F312 VanDerWaalsContact O-CD2 3.22Å; V308-F312 WeakPolarHBondContact O-CD2 3.36Å; V308-F312 PolarHBondContact O-N 3.02Å; S309-F312 PolarHBondContact O-N 3.31Å; S309-F312 VanDerWaalsContact O-N 3.16Å; F312-R314 VanDerWaalsContact C-N 3.25Å; F312-R314 PolarHBondContact O-N 3.07Å; F312-H315 WeakPolarHBondContact O-CB 3.49Å; F312-H315 PolarHBondContact O-N 3.09Å; F312-H315 VanDerWaalsContact O-N 3.09Å; F312-V320 HydrophobicContact CB-CG1 4.21Å; F312-V320 HydrophobicContact CD1-CG1 3.39Å; F312-V320 HydrophobicContact CE1-CG1 4.07Å; F312-V320 HydrophobicContact CG-CG1 4.12Å; F312-A324 HydrophobicContact CB-CB 3.54Å; F312-V327 HydrophobicContact CD2-CG1 4.35Å; F312-V327 HydrophobicContact CE2-CB 4.4Å; F312-V327 HydrophobicContact CE2-CG1 3.67Å; F312-V327 HydrophobicContact CZ-CG1 3.91Å
313	D	77.8	Confident	82.7	Confident	21 Å²	21	67.3 Å²	67.3	11%	0.112	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-30.7	174.8	-77.8	-16.5	0	0	0	112.6	S309 H315 R321 A324	S309-D313 PolarHBondContact O-N 2.91Å; D313-H315 VanDerWaalsContact C-N 3.3Å; D313-R321 WeakPolarHBondContact O-CG 3.37Å; D313-A324 VanDerWaalsContact OD1-CB 3.28Å; D313-A324 WeakPolarHBondContact OD1-CB 3.31Å
314	R	79.7	Confident	82.3	Confident	141 Å²	141	65.7 Å²	65.7	53%	0.532	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.1	175.4	-71.7	178.6	175.7	170.2	2.3	113.5	V181 H310 H311 F312	V181-R314 PolarHBondContact O-NE 3.42Å; V181-R314 PolarHBondContact O-NH2 3.32Å; H310-R314 WeakPolarHBondContact O-CG 3.12Å; H310-R314 PolarHBondContact O-N 3.31Å; H311-R314 PolarHBondContact O-N 3.01Å; F312-R314 VanDerWaalsContact C-N 3.25Å; F312-R314 PolarHBondContact O-N 3.07Å
315	H	82.5	Confident	81.7	Confident	81 Å²	81	63.7 Å²	63.7	38%	0.375	31%	0.311	S	S	.	.			trans	-73.2	135.1	-175.3	-164.2	-79.6	0	0	0	111	H311 F312 D313 A317 V320	H311-H315 PolarHBondContact O-N 3.44Å; F312-H315 WeakPolarHBondContact O-CB 3.49Å; F312-H315 PolarHBondContact O-N 3.09Å; F312-H315 VanDerWaalsContact O-N 3.09Å; D313-H315 VanDerWaalsContact C-N 3.3Å; H315-A317 VanDerWaalsContact C-N 3.33Å; H315-A317 WeakPolarHBondContact ND1-CB 3.41Å; H315-A317 PolarHBondContact ND1-N 3.24Å; H315-A317 PolarHBondContact O-N 3.49Å; H315-V320 HydrophobicContact CB-CB 4.5Å; H315-V320 HydrophobicContact CB-CG1 4.1Å
316	E	78.7	Confident	81.4	Confident	178 Å²	178	67.9 Å²	67.9	83%	0.832	33%	0.332	S	S	*	.	S	Bend	trans	-61.5	-41.1	-174.5	-66.1	-176.8	169.5	0	0	112.1	T318 R321	E316-T318 PolarHBondContact O-N 2.96Å; E316-T318 VanDerWaalsContact O-N 3.13Å; E316-R321 PolarHBondContact O-NH2 2.82Å
317	A	82.6	Confident	81.6	Confident	43 Å²	43	70.4 Å²	70.4	36%	0.355	35%	0.348	S	S	.	.			trans	-61.9	113.3	179.2	0	0	0	0	0	112.3	H315 Y319 V320 R321	H315-A317 VanDerWaalsContact C-N 3.33Å; H315-A317 WeakPolarHBondContact ND1-CB 3.41Å; H315-A317 PolarHBondContact ND1-N 3.24Å; H315-A317 PolarHBondContact O-N 3.49Å; A317-Y319 VanDerWaalsContact C-N 3.26Å; A317-Y319 PolarHBondContact O-N 3.01Å; A317-V320 HydrophobicContact CB-CB 4.35Å; A317-V320 HydrophobicContact CB-CG2 4.01Å; A317-V320 PolarHBondContact O-N 3.32Å; A317-R321 PolarHBondContact O-N 2.84Å; A317-R321 VanDerWaalsContact O-N 3.12Å
318	T	77.5	Confident	81.6	Confident	99 Å²	99	66.8 Å²	66.8	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-55.6	-37.7	-179.4	52.3	0	0	0	0	113	E316 V320 R321 T322	E316-T318 PolarHBondContact O-N 2.96Å; E316-T318 VanDerWaalsContact O-N 3.13Å; T318-V320 VanDerWaalsContact C-N 3.34Å; T318-V320 PolarHBondContact O-N 2.98Å; T318-R321 PolarHBondContact O-N 3.21Å; T318-T322 PolarHBondContact O-N 3.45Å; T318-T322 PolarHBondContact O-OG1 3.02Å
319	Y	78.4	Confident	81.6	Confident	178 Å²	178	66 Å²	66	70%	0.698	33%	0.325	S	S	*	.	H	α-helix	trans	-61.9	-39.7	177.5	-178.9	-95.9	0	0	0	113.2	A317 N323	A317-Y319 VanDerWaalsContact C-N 3.26Å; A317-Y319 PolarHBondContact O-N 3.01Å; Y319-N323 WeakPolarHBondContact CE2-ND2 3.29Å; Y319-N323 PolarHBondContact O-N 2.58Å; Y319-N323 PolarHBondContact O-ND2 3.4Å
320	V	81	Confident	82	Confident	38 Å²	38	68.4 Å²	68.4	23%	0.23	34%	0.336	C	S	.	.	H	α-helix	trans	-70.1	-43.4	178.3	176.9	0	0	0	0	109.7	F312 H315 A317 T318 N323 A324	F312-V320 HydrophobicContact CB-CG1 4.21Å; F312-V320 HydrophobicContact CD1-CG1 3.39Å; F312-V320 HydrophobicContact CE1-CG1 4.07Å; F312-V320 HydrophobicContact CG-CG1 4.12Å; H315-V320 HydrophobicContact CB-CB 4.5Å; H315-V320 HydrophobicContact CB-CG1 4.1Å; A317-V320 HydrophobicContact CB-CB 4.35Å; A317-V320 HydrophobicContact CB-CG2 4.01Å; A317-V320 PolarHBondContact O-N 3.32Å; T318-V320 VanDerWaalsContact C-N 3.34Å; T318-V320 PolarHBondContact O-N 2.98Å; V320-N323 CarbonylContact O-C 3.56Å; V320-N323 PolarHBondContact O-N 2.93Å; V320-A324 WeakPolarHBondContact O-CA 3.39Å; V320-A324 PolarHBondContact O-N 2.94Å
321	R	76.4	Confident	82.6	Confident	69 Å²	69	69 Å²	69	26%	0.26	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-48.3	178.6	-159	-171.6	-37.9	179.6	5.3	112.6	D184 D313 E316 A317 T318 N323 A324	D184-R321 IonicContact OD2-CZ 3.46Å; D184-R321 IonicContact OD2-NH1 3.4Å; D184-R321 PolarHBondContact OD2-NH1 3.46Å; D313-R321 WeakPolarHBondContact O-CG 3.37Å; E316-R321 PolarHBondContact O-NH2 2.82Å; A317-R321 PolarHBondContact O-N 2.84Å; A317-R321 VanDerWaalsContact O-N 3.12Å; T318-R321 PolarHBondContact O-N 3.21Å; R321-N323 PolarHBondContact O-N 3.39Å; R321-A324 VanDerWaalsContact O-CB 3.3Å; R321-A324 WeakPolarHBondContact O-CB 3.2Å; R321-A324 PolarHBondContact O-N 3.1Å
322	T	76.5	Confident	83	Confident	86 Å²	86	63.2 Å²	63.2	53%	0.528	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-31	179.5	-55.7	0	0	0	0	112.4	T318	T318-T322 PolarHBondContact O-N 3.45Å; T318-T322 PolarHBondContact O-OG1 3.02Å
323	N	79.6	Confident	83.3	Confident	40 Å²	40	60.8 Å²	60.8	21%	0.214	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	10.6	-178.3	-62.2	-55.4	0	0	0	113.4	Y319 V320 R321 N325 M326 V327	Y319-N323 WeakPolarHBondContact CE2-ND2 3.29Å; Y319-N323 PolarHBondContact O-N 2.58Å; Y319-N323 PolarHBondContact O-ND2 3.4Å; V320-N323 CarbonylContact O-C 3.56Å; V320-N323 PolarHBondContact O-N 2.93Å; R321-N323 PolarHBondContact O-N 3.39Å; N323-N325 PolarHBondContact O-N 3.36Å; N323-M326 PolarHBondContact O-N 2.82Å; N323-M326 VanDerWaalsContact O-N 3.09Å; N323-V327 HydrophobicContact CB-CG2 4.43Å; N323-V327 WeakPolarHBondContact O-CG2 3.1Å; N323-V327 PolarHBondContact O-N 3.43Å
324	A	81.6	Confident	84.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-54.9	-48.9	-171.9	0	0	0	0	0	112.2	F312 D313 V320 R321 M326 V327 A328	F312-A324 HydrophobicContact CB-CB 3.54Å; D313-A324 VanDerWaalsContact OD1-CB 3.28Å; D313-A324 WeakPolarHBondContact OD1-CB 3.31Å; V320-A324 WeakPolarHBondContact O-CA 3.39Å; V320-A324 PolarHBondContact O-N 2.94Å; R321-A324 VanDerWaalsContact O-CB 3.3Å; R321-A324 WeakPolarHBondContact O-CB 3.2Å; R321-A324 PolarHBondContact O-N 3.1Å; A324-M326 VanDerWaalsContact C-N 3.35Å; A324-M326 PolarHBondContact O-N 3.45Å; A324-V327 PolarHBondContact O-N 2.88Å; A324-A328 VanDerWaalsContact O-CB 3.25Å; A324-A328 WeakPolarHBondContact O-CB 3.14Å; A324-A328 PolarHBondContact O-N 3.44Å
325	N	79.1	Confident	84.8	Confident	42 Å²	42	60 Å²	60	23%	0.225	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-40.6	178.4	-74	-28.8	0	0	0	112.8	S309 N323 S329	S309-N325 PolarHBondContact OG-OD1 3.42Å; N323-N325 PolarHBondContact O-N 3.36Å; N325-S329 VanDerWaalsContact O-CB 3.3Å; N325-S329 WeakPolarHBondContact O-CB 3.2Å; N325-S329 PolarHBondContact O-N 3.25Å; N325-S329 PolarHBondContact O-OG 3.28Å
326	M	83	Confident	85.3	Confident	100 Å²	100	56.2 Å²	56.2	49%	0.493	29%	0.294	S	S	.	.	H	α-helix	trans	-68.6	-45	-179.9	-171.6	175.1	176.7	0	0	111	N323 A324 S329 I330 I426	N323-M326 PolarHBondContact O-N 2.82Å; N323-M326 VanDerWaalsContact O-N 3.09Å; A324-M326 VanDerWaalsContact C-N 3.35Å; A324-M326 PolarHBondContact O-N 3.45Å; M326-S329 PolarHBondContact O-N 3.45Å; M326-I330 HydrophobicContact CE-CD1 4.16Å; M326-I330 HydrophobicContact CG-CD1 4.03Å; M326-I330 WeakPolarHBondContact O-CG1 3.49Å; M326-I330 PolarHBondContact O-N 3Å; M326-I426 HydrophobicContact CG-CD1 4.38Å
327	V	87.2	Confident	85.9	Confident	60 Å²	60	48.6 Å²	48.6	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-43	178	177.1	0	0	0	0	111.4	F312 N323 A324 S329 I330 S331	F312-V327 HydrophobicContact CD2-CG1 4.35Å; F312-V327 HydrophobicContact CE2-CB 4.4Å; F312-V327 HydrophobicContact CE2-CG1 3.67Å; F312-V327 HydrophobicContact CZ-CG1 3.91Å; N323-V327 HydrophobicContact CB-CG2 4.43Å; N323-V327 WeakPolarHBondContact O-CG2 3.1Å; N323-V327 PolarHBondContact O-N 3.43Å; A324-V327 PolarHBondContact O-N 2.88Å; V327-S329 VanDerWaalsContact C-N 3.3Å; V327-S329 PolarHBondContact O-N 3.36Å; V327-I330 PolarHBondContact O-N 2.82Å; V327-S331 WeakPolarHBondContact O-CB 3.49Å; V327-S331 PolarHBondContact O-N 3.11Å; V327-S331 PolarHBondContact O-OG 2.89Å
328	A	88.1	Confident	86.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-41.7	174.6	0	0	0	0	0	111.3	R305 V308 A324 S331 A332	R305-A328 HydrophobicContact CG-CB 4.36Å; V308-A328 HydrophobicContact CG1-CB 4.03Å; A324-A328 VanDerWaalsContact O-CB 3.25Å; A324-A328 WeakPolarHBondContact O-CB 3.14Å; A324-A328 PolarHBondContact O-N 3.44Å; A328-S331 PolarHBondContact O-OG 3.33Å; A328-S331 VanDerWaalsContact O-OG 3.09Å; A328-A332 WeakPolarHBondContact O-CB 3.45Å; A328-A332 PolarHBondContact O-N 3.38Å
329	S	89.4	Confident	87.1	Confident	5 Å²	5	47.8 Å²	47.8	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-46.7	177.7	-56.7	0	0	0	0	112.6	R305 N325 M326 V327 A333	R305-S329 PolarHBondContact NH2-OG 3.45Å; N325-S329 VanDerWaalsContact O-CB 3.3Å; N325-S329 WeakPolarHBondContact O-CB 3.2Å; N325-S329 PolarHBondContact O-N 3.25Å; N325-S329 PolarHBondContact O-OG 3.28Å; M326-S329 PolarHBondContact O-N 3.45Å; V327-S329 VanDerWaalsContact C-N 3.3Å; V327-S329 PolarHBondContact O-N 3.36Å; S329-A333 VanDerWaalsContact O-CB 3.27Å; S329-A333 WeakPolarHBondContact O-CB 3.42Å; S329-A333 PolarHBondContact O-N 3.21Å
330	I	91.5	Very high	87.7	Confident	59 Å²	59	39.4 Å²	39.4	30%	0.303	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-46.2	179.3	-68.1	166.8	0	0	0	110.8	M326 V327 A333 I334 I426 I430	M326-I330 HydrophobicContact CE-CD1 4.16Å; M326-I330 HydrophobicContact CG-CD1 4.03Å; M326-I330 WeakPolarHBondContact O-CG1 3.49Å; M326-I330 PolarHBondContact O-N 3Å; V327-I330 PolarHBondContact O-N 2.82Å; I330-A333 PolarHBondContact O-N 2.91Å; I330-I334 HydrophobicContact CG2-CD1 3.93Å; I330-I334 WeakPolarHBondContact O-CG1 3.44Å; I330-I334 PolarHBondContact O-N 2.92Å; I330-I426 HydrophobicContact CG1-CG2 3.87Å; I330-I430 HydrophobicContact CG2-CD1 4.24Å
331	S	93.4	Very high	87.9	Confident	32 Å²	32	38.8 Å²	38.8	22%	0.224	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-42.2	179.9	61	0	0	0	0	112.3	V327 A328 A333 I334 L335	V327-S331 WeakPolarHBondContact O-CB 3.49Å; V327-S331 PolarHBondContact O-N 3.11Å; V327-S331 PolarHBondContact O-OG 2.89Å; A328-S331 PolarHBondContact O-OG 3.33Å; A328-S331 VanDerWaalsContact O-OG 3.09Å; S331-A333 VanDerWaalsContact C-N 3.35Å; S331-A333 PolarHBondContact O-N 3.37Å; S331-I334 PolarHBondContact O-N 3.42Å; S331-L335 WeakPolarHBondContact O-CB 3.37Å; S331-L335 PolarHBondContact O-N 2.84Å
332	A	92.6	Very high	88.5	Confident	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-39.2	174.5	0	0	0	0	0	112	I301 Y304 R305 A328 L335 N336	I301-A332 HydrophobicContact CG2-CB 4.43Å; Y304-A332 HydrophobicContact CD1-CB 4.17Å; Y304-A332 HydrophobicContact CE1-CB 4.23Å; R305-A332 HydrophobicContact CB-CB 4.07Å; R305-A332 HydrophobicContact CG-CB 4.03Å; A328-A332 WeakPolarHBondContact O-CB 3.45Å; A328-A332 PolarHBondContact O-N 3.38Å; A332-L335 PolarHBondContact O-N 3.15Å; A332-N336 VanDerWaalsContact O-CB 3.23Å; A332-N336 WeakPolarHBondContact O-CB 3.44Å; A332-N336 PolarHBondContact O-N 3.4Å
333	A	93	Very high	89.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-43.8	177.3	0	0	0	0	0	112.7	S329 I330 S331 N336 L337 I430	S329-A333 VanDerWaalsContact O-CB 3.27Å; S329-A333 WeakPolarHBondContact O-CB 3.42Å; S329-A333 PolarHBondContact O-N 3.21Å; I330-A333 PolarHBondContact O-N 2.91Å; S331-A333 VanDerWaalsContact C-N 3.35Å; S331-A333 PolarHBondContact O-N 3.37Å; A333-N336 PolarHBondContact O-N 3.38Å; A333-L337 PolarHBondContact O-N 3.25Å; A333-I430 HydrophobicContact CB-CB 4.02Å; A333-I430 HydrophobicContact CB-CD1 3.5Å; A333-I430 HydrophobicContact CB-CG1 4.34Å; A333-I430 HydrophobicContact CB-CG2 3.97Å
334	I	93.8	Very high	89.5	Confident	84 Å²	84	35.8 Å²	35.8	43%	0.431	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-46.5	176.6	-67.1	167.1	0	0	0	110.5	I330 S331 N336 L337 I338 I430	I330-I334 HydrophobicContact CG2-CD1 3.93Å; I330-I334 WeakPolarHBondContact O-CG1 3.44Å; I330-I334 PolarHBondContact O-N 2.92Å; S331-I334 PolarHBondContact O-N 3.42Å; I334-N336 VanDerWaalsContact C-N 3.32Å; I334-N336 PolarHBondContact O-N 2.89Å; I334-L337 PolarHBondContact O-N 3.48Å; I334-I338 HydrophobicContact CG2-CD1 4.12Å; I334-I338 WeakPolarHBondContact O-CG1 3.22Å; I334-I338 PolarHBondContact O-N 3.25Å; I334-I338 VanDerWaalsContact O-N 3.09Å; I334-I430 HydrophobicContact CG1-CG2 4.25Å
335	L	94.3	Very high	89.4	Confident	61 Å²	61	39.1 Å²	39.1	32%	0.319	21%	0.206	S	C	.	.	H	α-helix	trans	-62	-42.3	178.4	-175.2	63.2	0	0	0	111.3	I301 Y304 S331 A332 L337 I338 I339	I301-L335 HydrophobicContact CD1-CB 4.28Å; I301-L335 HydrophobicContact CD1-CD2 3.49Å; I301-L335 VanDerWaalsContact CD1-CD2 3.49Å; I301-L335 HydrophobicContact CD1-CG 3.65Å; Y304-L335 HydrophobicContact CD1-CD2 4.06Å; Y304-L335 HydrophobicContact CD2-CD2 4.26Å; Y304-L335 HydrophobicContact CE1-CD2 4.07Å; Y304-L335 HydrophobicContact CE2-CD2 4.25Å; Y304-L335 HydrophobicContact CG-CD2 4.17Å; S331-L335 WeakPolarHBondContact O-CB 3.37Å; S331-L335 PolarHBondContact O-N 2.84Å; A332-L335 PolarHBondContact O-N 3.15Å; L335-L337 PolarHBondContact O-N 2.9Å; L335-I338 PolarHBondContact O-N 2.78Å; L335-I339 HydrophobicContact CG-CD1 4.25Å; L335-I339 WeakPolarHBondContact O-CG1 3.27Å; L335-I339 PolarHBondContact O-N 3.26Å
336	N	93.5	Very high	89.8	Confident	3 Å²	3	40 Å²	40	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-45.5	175	-169.1	59.8	0	0	0	111.5	I301 A332 A333 I334 I338 I339 V340 S385 Q427	I301-N336 HydrophobicContact CG2-CB 4.21Å; A332-N336 VanDerWaalsContact O-CB 3.23Å; A332-N336 WeakPolarHBondContact O-CB 3.44Å; A332-N336 PolarHBondContact O-N 3.4Å; A333-N336 PolarHBondContact O-N 3.38Å; I334-N336 VanDerWaalsContact C-N 3.32Å; I334-N336 PolarHBondContact O-N 2.89Å; N336-I338 VanDerWaalsContact C-N 3.35Å; N336-I338 PolarHBondContact O-N 3.19Å; N336-I339 PolarHBondContact O-N 3.36Å; N336-V340 WeakPolarHBondContact O-CB 3.44Å; N336-V340 WeakPolarHBondContact O-CG2 3.4Å; N336-V340 PolarHBondContact O-N 3.46Å; N336-S385 PolarHBondContact ND2-OG 2.94Å; N336-Q427 PolarHBondContact ND2-NE2 3.39Å; N336-Q427 VanDerWaalsContact ND2-NE2 3.13Å
337	L	91.8	Very high	90.2	Very high	17 Å²	17	35.7 Å²	35.7	9%	0.089	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-45.8	177.4	176.4	61.6	0	0	0	111.7	A333 I334 L335 V340 M341 I430 K435	A333-L337 PolarHBondContact O-N 3.25Å; I334-L337 PolarHBondContact O-N 3.48Å; L335-L337 PolarHBondContact O-N 2.9Å; L337-V340 PolarHBondContact O-N 2.99Å; L337-M341 HydrophobicContact CD1-CG 4.27Å; L337-M341 HydrophobicContact CD1-SD 4.3Å; L337-M341 HydrophobicContact CG-SD 4.34Å; L337-M341 VanDerWaalsContact O-CG 3.29Å; L337-M341 WeakPolarHBondContact O-CG 3.48Å; L337-M341 PolarHBondContact O-N 2.79Å; L337-I430 HydrophobicContact CD2-CG2 4.36Å; L337-K435 HydrophobicContact CD1-CB 4.09Å
338	I	92.3	Very high	90	Very high	87 Å²	87	33 Å²	33	45%	0.446	18%	0.181	S	C	.	.	H	α-helix	trans	-61.3	-47.3	179	-65.8	166.7	0	0	0	110.9	I334 L335 N336 M341 I342	I334-I338 HydrophobicContact CG2-CD1 4.12Å; I334-I338 WeakPolarHBondContact O-CG1 3.22Å; I334-I338 PolarHBondContact O-N 3.25Å; I334-I338 VanDerWaalsContact O-N 3.09Å; L335-I338 PolarHBondContact O-N 2.78Å; N336-I338 VanDerWaalsContact C-N 3.35Å; N336-I338 PolarHBondContact O-N 3.19Å; I338-M341 PolarHBondContact O-N 3.4Å; I338-I342 HydrophobicContact CG2-CD1 3.96Å; I338-I342 WeakPolarHBondContact O-CG1 3.46Å; I338-I342 PolarHBondContact O-N 2.72Å; I338-I342 VanDerWaalsContact O-N 3.15Å
339	I	92.4	Very high	89.8	Confident	39 Å²	39	36.1 Å²	36.1	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-46.1	-180	-68.8	174.6	0	0	0	110.9	I301 L335 N336 M341 I342 L343	I301-I339 HydrophobicContact CD1-CD1 3.67Å; I301-I339 HydrophobicContact CG1-CD1 4.08Å; L335-I339 HydrophobicContact CG-CD1 4.25Å; L335-I339 WeakPolarHBondContact O-CG1 3.27Å; L335-I339 PolarHBondContact O-N 3.26Å; N336-I339 PolarHBondContact O-N 3.36Å; I339-M341 VanDerWaalsContact C-N 3.3Å; I339-M341 PolarHBondContact O-N 3.38Å; I339-I342 PolarHBondContact O-N 3.41Å; I339-I342 VanDerWaalsContact O-N 3.16Å; I339-L343 HydrophobicContact CG2-CD1 3.67Å; I339-L343 HydrophobicContact CG2-CG 4.07Å; I339-L343 WeakPolarHBondContact O-CB 3.44Å; I339-L343 WeakPolarHBondContact O-CG 3.34Å; I339-L343 PolarHBondContact O-N 3.23Å
340	V	90.6	Very high	89.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-45.7	178.9	166.6	0	0	0	0	110.5	N336 L337 I342 L343 D344 N381 Y382	N336-V340 WeakPolarHBondContact O-CB 3.44Å; N336-V340 WeakPolarHBondContact O-CG2 3.4Å; N336-V340 PolarHBondContact O-N 3.46Å; L337-V340 PolarHBondContact O-N 2.99Å; V340-I342 PolarHBondContact O-N 3.35Å; V340-L343 PolarHBondContact O-N 2.96Å; V340-D344 WeakPolarHBondContact O-CB 3.14Å; V340-D344 PolarHBondContact O-N 3.46Å; V340-N381 WeakPolarHBondContact CG2-O 3.29Å; V340-N381 PolarHBondContact O-ND2 3.08Å; V340-Y382 HydrophobicContact CB-CE1 4.49Å; V340-Y382 HydrophobicContact CG1-CD1 3.61Å; V340-Y382 HydrophobicContact CG1-CD2 4.29Å; V340-Y382 HydrophobicContact CG1-CE1 3.23Å; V340-Y382 HydrophobicContact CG1-CE2 3.92Å; V340-Y382 HydrophobicContact CG1-CG 4.11Å
341	M	86	Confident	89.8	Confident	24 Å²	24	35.8 Å²	35.8	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-39	177.4	-74.2	-178.4	74.2	0	0	113.7	L337 I338 I339 V438 L483	L337-M341 HydrophobicContact CD1-CG 4.27Å; L337-M341 HydrophobicContact CD1-SD 4.3Å; L337-M341 HydrophobicContact CG-SD 4.34Å; L337-M341 VanDerWaalsContact O-CG 3.29Å; L337-M341 WeakPolarHBondContact O-CG 3.48Å; L337-M341 PolarHBondContact O-N 2.79Å; I338-M341 PolarHBondContact O-N 3.4Å; I339-M341 VanDerWaalsContact C-N 3.3Å; I339-M341 PolarHBondContact O-N 3.38Å; M341-V438 HydrophobicContact CE-CB 4.3Å; M341-V438 HydrophobicContact CE-CG1 3.43Å; M341-V438 VanDerWaalsContact CE-CG1 3.43Å; M341-V438 HydrophobicContact SD-CG1 4.2Å; M341-L483 HydrophobicContact CE-CD1 3.79Å
342	I	88.7	Confident	89.5	Confident	106 Å²	106	36.9 Å²	36.9	54%	0.544	19%	0.192	S	C	.	.	H	α-helix	trans	-70.1	-47.2	178	-67	167	0	0	0	110.4	I338 I339 V340 D344 Q345 A346	I338-I342 HydrophobicContact CG2-CD1 3.96Å; I338-I342 WeakPolarHBondContact O-CG1 3.46Å; I338-I342 PolarHBondContact O-N 2.72Å; I338-I342 VanDerWaalsContact O-N 3.15Å; I339-I342 PolarHBondContact O-N 3.41Å; I339-I342 VanDerWaalsContact O-N 3.16Å; V340-I342 PolarHBondContact O-N 3.35Å; I342-D344 VanDerWaalsContact C-N 3.32Å; I342-D344 PolarHBondContact O-N 2.9Å; I342-Q345 PolarHBondContact O-N 3.34Å; I342-A346 PolarHBondContact O-N 3Å
343	L	90.8	Very high	89.3	Confident	26 Å²	26	43.6 Å²	43.6	14%	0.136	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-38.4	-179.4	-74.1	-179	0	0	0	112	L293 F297 I339 V340 Q345 A346 Y347 F377	L293-L343 HydrophobicContact CD2-CD2 4.37Å; F297-L343 HydrophobicContact CB-CD1 4.43Å; F297-L343 HydrophobicContact CD2-CD1 3.99Å; F297-L343 HydrophobicContact CD2-CD2 4.46Å; F297-L343 HydrophobicContact CE2-CD2 4.3Å; F297-L343 HydrophobicContact CG-CD1 4.28Å; I339-L343 HydrophobicContact CG2-CD1 3.67Å; I339-L343 HydrophobicContact CG2-CG 4.07Å; I339-L343 WeakPolarHBondContact O-CB 3.44Å; I339-L343 WeakPolarHBondContact O-CG 3.34Å; I339-L343 PolarHBondContact O-N 3.23Å; V340-L343 PolarHBondContact O-N 2.96Å; L343-Q345 VanDerWaalsContact C-N 3.35Å; L343-Q345 PolarHBondContact O-N 3.01Å; L343-A346 PolarHBondContact O-N 3.34Å; L343-Y347 WeakPolarHBondContact O-CB 3.05Å; L343-Y347 PolarHBondContact O-N 3.28Å; L343-F377 HydrophobicContact CB-CE1 4.39Å; L343-F377 HydrophobicContact CB-CZ 4.12Å
344	D	86.5	Confident	89.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-44.5	177.3	-77.7	-6.8	0	0	0	112.3	V340 I342 A348 N381 Y382	V340-D344 WeakPolarHBondContact O-CB 3.14Å; V340-D344 PolarHBondContact O-N 3.46Å; I342-D344 VanDerWaalsContact C-N 3.32Å; I342-D344 PolarHBondContact O-N 2.9Å; D344-A348 WeakPolarHBondContact O-CB 3.47Å; D344-A348 PolarHBondContact O-N 3.12Å; D344-N381 PolarHBondContact OD1-ND2 2.91Å; D344-Y382 WeakPolarHBondContact OD2-CE2 3.45Å; D344-Y382 PolarHBondContact OD2-OH 3.5Å
345	Q	79.8	Confident	89.1	Confident	70 Å²	70	40.6 Å²	40.6	33%	0.327	20%	0.201	S	C	.	.	H	α-helix	trans	-66.8	-45.5	179.2	-67	173.8	27.3	0	0	111.3	I342 L343 Y347 A348 K349 F482 L483	I342-Q345 PolarHBondContact O-N 3.34Å; L343-Q345 VanDerWaalsContact C-N 3.35Å; L343-Q345 PolarHBondContact O-N 3.01Å; Q345-Y347 VanDerWaalsContact C-N 3.32Å; Q345-Y347 PolarHBondContact O-N 3.34Å; Q345-A348 PolarHBondContact O-N 3.3Å; Q345-K349 PolarHBondContact O-N 3.47Å; Q345-F482 HydrophobicContact CG-CD1 4.37Å; Q345-L483 HydrophobicContact CG-CB 4.17Å
346	A	87.3	Confident	88.7	Confident	61 Å²	61	39.1 Å²	39.1	50%	0.504	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-43.1	178.9	0	0	0	0	0	111.5	I342 L343 L350	I342-A346 PolarHBondContact O-N 3Å; L343-A346 PolarHBondContact O-N 3.34Å; A346-L350 PolarHBondContact O-N 3.05Å; A346-L350 VanDerWaalsContact O-N 3.16Å
347	Y	90.9	Very high	88.5	Confident	8 Å²	8	44.7 Å²	44.7	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-72.7	-36.7	-179.5	-174.6	-94.3	0	0	0	112.9	C290 L343 Q345 K349 L350 A351 K373 F377	C290-Y347 HydrophobicContact CB-CD2 3.92Å; C290-Y347 HydrophobicContact CB-CE2 3.66Å; L343-Y347 WeakPolarHBondContact O-CB 3.05Å; L343-Y347 PolarHBondContact O-N 3.28Å; Q345-Y347 VanDerWaalsContact C-N 3.32Å; Q345-Y347 PolarHBondContact O-N 3.34Å; Y347-K349 VanDerWaalsContact C-N 3.29Å; Y347-K349 PolarHBondContact O-N 3.18Å; Y347-L350 HydrophobicContact CD2-CD2 4.45Å; Y347-L350 CarbonylContact O-C 3.35Å; Y347-L350 PolarHBondContact O-N 2.82Å; Y347-L350 VanDerWaalsContact O-N 3.13Å; Y347-A351 HydrophobicContact CD1-CB 4.2Å; Y347-A351 HydrophobicContact CE1-CB 3.87Å; Y347-A351 VanDerWaalsContact O-CB 3.28Å; Y347-A351 WeakPolarHBondContact O-CB 3.45Å; Y347-A351 PolarHBondContact O-N 3.47Å; Y347-K373 VanDerWaalsContact CE1-O 3.31Å; Y347-K373 WeakPolarHBondContact CE1-O 3.21Å; Y347-K373 PolarHBondContact OH-O 2.98Å; Y347-F377 VanDerWaalsContact CB-CE1 3.41Å; Y347-F377 VanDerWaalsContact CB-CZ 3.49Å; Y347-F377 HydrophobicContact CD1-CB 3.42Å; Y347-F377 VanDerWaalsContact CD1-CB 3.42Å; Y347-F377 AromaticContact CD1-CD1 3.5Å; Y347-F377 HydrophobicContact CD1-CD1 3.5Å; Y347-F377 AromaticContact CD1-CD2 3.83Å; Y347-F377 HydrophobicContact CD1-CD2 3.83Å; Y347-F377 HydrophobicContact CD1-CE1 4.2Å; Y347-F377 HydrophobicContact CD1-CE2 4.44Å; Y347-F377 AromaticContact CD1-CG 3.29Å; Y347-F377 HydrophobicContact CD1-CG 3.29Å; Y347-F377 HydrophobicContact CD2-CB 4.32Å; Y347-F377 HydrophobicContact CD2-CD1 4.3Å; Y347-F377 AromaticContact CD2-CD2 3.29Å; Y347-F377 HydrophobicContact CD2-CD2 3.29Å; Y347-F377 HydrophobicContact CD2-CE1 4.5Å; Y347-F377 AromaticContact CD2-CE2 3.51Å; Y347-F377 HydrophobicContact CD2-CE2 3.51Å; Y347-F377 AromaticContact CD2-CG 3.73Å; Y347-F377 HydrophobicContact CD2-CG 3.73Å; Y347-F377 HydrophobicContact CD2-CZ 4.13Å; Y347-F377 HydrophobicContact CE1-CB 3.16Å; Y347-F377 HydrophobicContact CE1-CD1 4.2Å; Y347-F377 HydrophobicContact CE1-CD2 4.04Å; Y347-F377 AromaticContact CE1-CG 3.56Å; Y347-F377 HydrophobicContact CE1-CG 3.56Å; Y347-F377 HydrophobicContact CE2-CB 4.11Å; Y347-F377 AromaticContact CE2-CD2 3.54Å; Y347-F377 HydrophobicContact CE2-CD2 3.54Å; Y347-F377 HydrophobicContact CE2-CE2 4.16Å; Y347-F377 AromaticContact CE2-CG 3.96Å; Y347-F377 HydrophobicContact CE2-CG 3.96Å; Y347-F377 HydrophobicContact CG-CB 3.99Å; Y347-F377 AromaticContact CG-CD1 3.54Å; Y347-F377 HydrophobicContact CG-CD1 3.54Å; Y347-F377 AromaticContact CG-CD2 3.43Å; Y347-F377 HydrophobicContact CG-CD2 3.43Å; Y347-F377 VanDerWaalsContact CG-CD2 3.43Å; Y347-F377 AromaticContact CG-CE1 3.8Å; Y347-F377 HydrophobicContact CG-CE1 3.8Å; Y347-F377 AromaticContact CG-CE2 3.65Å; Y347-F377 HydrophobicContact CG-CE2 3.65Å; Y347-F377 AromaticContact CG-CG 3.36Å; Y347-F377 HydrophobicContact CG-CG 3.36Å; Y347-F377 AromaticContact CG-CZ 3.84Å; Y347-F377 HydrophobicContact CG-CZ 3.84Å; Y347-F377 AromaticContact CZ-CD2 3.87Å; Y347-F377 AromaticContact CZ-CG 3.86Å
348	A	84	Confident	88.5	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-55.9	-45.7	174.9	0	0	0	0	0	111.5	D344 Q345 L350 A351 W352	D344-A348 WeakPolarHBondContact O-CB 3.47Å; D344-A348 PolarHBondContact O-N 3.12Å; Q345-A348 PolarHBondContact O-N 3.3Å; A348-L350 PolarHBondContact O-N 3.38Å; A348-A351 PolarHBondContact O-N 3.13Å; A348-W352 PolarHBondContact O-N 2.93Å
349	K	83.8	Confident	88.3	Confident	67 Å²	67	42.1 Å²	42.1	29%	0.291	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-41.1	175.6	-171.6	170.9	-170.1	160.9	0	112.6	Q345 Y347 R353 E486	Q345-K349 PolarHBondContact O-N 3.47Å; Y347-K349 VanDerWaalsContact C-N 3.29Å; Y347-K349 PolarHBondContact O-N 3.18Å; K349-R353 PolarHBondContact O-N 3.46Å; K349-E486 IonicContact NZ-OE1 2.66Å; K349-E486 PolarHBondContact NZ-OE1 2.69Å; K349-E486 IonicContact NZ-OE2 3.4Å; K349-E486 PolarHBondContact NZ-OE2 2.94Å
350	L	90	Very high	88.1	Confident	56 Å²	56	40.7 Å²	40.7	29%	0.293	19%	0.193	S	C	.	.	H	α-helix	trans	-66.7	-47.1	176.6	179.7	60.9	0	0	0	111.6	C290 A346 Y347 A348 W352 R353 L354	C290-L350 VanDerWaalsContact SG-CD2 3.55Å; A346-L350 PolarHBondContact O-N 3.05Å; A346-L350 VanDerWaalsContact O-N 3.16Å; Y347-L350 HydrophobicContact CD2-CD2 4.45Å; Y347-L350 CarbonylContact O-C 3.35Å; Y347-L350 PolarHBondContact O-N 2.82Å; Y347-L350 VanDerWaalsContact O-N 3.13Å; A348-L350 PolarHBondContact O-N 3.38Å; L350-W352 PolarHBondContact O-N 2.91Å; L350-R353 WeakPolarHBondContact O-CB 3.47Å; L350-R353 PolarHBondContact O-N 2.97Å; L350-R353 VanDerWaalsContact O-N 3.08Å; L350-L354 HydrophobicContact CD1-CD1 4.33Å; L350-L354 HydrophobicContact CD1-CG 4.21Å; L350-L354 HydrophobicContact CG-CD1 3.94Å; L350-L354 HydrophobicContact CG-CG 4.28Å; L350-L354 WeakPolarHBondContact O-CG 3.46Å; L350-L354 PolarHBondContact O-N 3.15Å
351	A	90.7	Very high	87.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-36.6	179	0	0	0	0	0	111.5	Y347 A348 L354 T355 Y370 V374	Y347-A351 HydrophobicContact CD1-CB 4.2Å; Y347-A351 HydrophobicContact CE1-CB 3.87Å; Y347-A351 VanDerWaalsContact O-CB 3.28Å; Y347-A351 WeakPolarHBondContact O-CB 3.45Å; Y347-A351 PolarHBondContact O-N 3.47Å; A348-A351 PolarHBondContact O-N 3.13Å; A351-L354 PolarHBondContact O-N 3.4Å; A351-T355 WeakPolarHBondContact O-CB 3.28Å; A351-T355 PolarHBondContact O-N 3.22Å; A351-T355 PolarHBondContact O-OG1 3.4Å; A351-Y370 HydrophobicContact CB-CD2 4.19Å; A351-Y370 HydrophobicContact CB-CE2 3.96Å; A351-V374 HydrophobicContact CB-CG2 3.75Å
352	W	86.5	Confident	87.6	Confident	56 Å²	56	44.8 Å²	44.8	21%	0.212	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-47.4	173.4	-178.3	80.9	0	0	0	112	A348 L350 L354 T355 N356 F366 Y370 T494 I497	A348-W352 PolarHBondContact O-N 2.93Å; L350-W352 PolarHBondContact O-N 2.91Å; W352-L354 PolarHBondContact O-N 3.28Å; W352-T355 PolarHBondContact O-N 2.92Å; W352-N356 VanDerWaalsContact CD2-ND2 3.26Å; W352-N356 WeakPolarHBondContact CH2-ND2 3.33Å; W352-N356 WeakPolarHBondContact CZ2-ND2 3.47Å; W352-N356 VanDerWaalsContact CZ3-ND2 3.33Å; W352-N356 WeakPolarHBondContact CZ3-ND2 3.24Å; W352-N356 PolarHBondContact O-N 3.43Å; W352-N356 PolarHBondContact O-ND2 2.95Å; W352-F366 AromaticContact CD1-CZ 3.86Å; W352-F366 AromaticContact NE1-CZ 3.99Å; W352-Y370 HydrophobicContact CB-CE2 4.06Å; W352-T494 VanDerWaalsContact CE2-CG2 3.44Å; W352-T494 HydrophobicContact CZ2-CG2 3.42Å; W352-T494 VanDerWaalsContact CZ2-CG2 3.42Å; W352-T494 WeakPolarHBondContact CZ2-OG1 3.35Å; W352-T494 VanDerWaalsContact NE1-CG2 3.26Å; W352-I497 HydrophobicContact CG-CD1 4.34Å
353	R	88	Confident	87.1	Confident	144 Å²	144	41.7 Å²	41.7	54%	0.543	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-44.1	176.5	-69.9	-177.9	-179.6	174.4	-0.7	111.9	K349 L350 N356 W357	K349-R353 PolarHBondContact O-N 3.46Å; L350-R353 WeakPolarHBondContact O-CB 3.47Å; L350-R353 PolarHBondContact O-N 2.97Å; L350-R353 VanDerWaalsContact O-N 3.08Å; R353-N356 PolarHBondContact O-N 3.19Å; R353-W357 WeakPolarHBondContact O-CB 3.48Å; R353-W357 PolarHBondContact O-N 3.47Å
354	L	91.8	Very high	86.6	Confident	20 Å²	20	41.8 Å²	41.8	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-44	177.7	-70.7	174.6	0	0	0	111.5	M286 V287 L350 A351 W352 N356 W357 E358	M286-L354 HydrophobicContact CB-CD1 4.1Å; M286-L354 HydrophobicContact CB-CD2 4.02Å; M286-L354 HydrophobicContact CG-CD2 4.24Å; V287-L354 HydrophobicContact CG2-CD1 4.35Å; L350-L354 HydrophobicContact CD1-CD1 4.33Å; L350-L354 HydrophobicContact CD1-CG 4.21Å; L350-L354 HydrophobicContact CG-CD1 3.94Å; L350-L354 HydrophobicContact CG-CG 4.28Å; L350-L354 WeakPolarHBondContact O-CG 3.46Å; L350-L354 PolarHBondContact O-N 3.15Å; A351-L354 PolarHBondContact O-N 3.4Å; W352-L354 PolarHBondContact O-N 3.28Å; L354-N356 PolarHBondContact O-N 2.86Å; L354-W357 WeakPolarHBondContact O-CB 3.5Å; L354-W357 PolarHBondContact O-N 3.25Å; L354-W357 VanDerWaalsContact O-N 3.1Å; L354-E358 PolarHBondContact O-N 3.49Å
355	T	90.7	Very high	86.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-32.9	-178.9	-49.8	0	0	0	0	111.8	A351 W352 W357 E358 P360 F366 K373	A351-T355 WeakPolarHBondContact O-CB 3.28Å; A351-T355 PolarHBondContact O-N 3.22Å; A351-T355 PolarHBondContact O-OG1 3.4Å; W352-T355 PolarHBondContact O-N 2.92Å; T355-W357 VanDerWaalsContact C-N 3.3Å; T355-E358 PolarHBondContact O-N 3.45Å; T355-P360 VanDerWaalsContact O-CD 3.25Å; T355-P360 WeakPolarHBondContact O-CD 3.49Å; T355-F366 HydrophobicContact CG2-CD2 3.55Å; T355-F366 HydrophobicContact CG2-CE2 3.64Å; T355-F366 HydrophobicContact CG2-CG 4.29Å; T355-F366 HydrophobicContact CG2-CZ 4.45Å; T355-K373 PolarHBondContact OG1-NZ 3.39Å
356	N	87.2	Confident	86.9	Confident	31 Å²	31	41.9 Å²	41.9	17%	0.166	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-37.4	168.6	-77.1	-28	0	0	0	112.4	R248 W352 R353 L354 F359 F366	R248-N356 PolarHBondContact NH1-OD1 3.27Å; R248-N356 PolarHBondContact NH2-OD1 2.88Å; W352-N356 VanDerWaalsContact CD2-ND2 3.26Å; W352-N356 WeakPolarHBondContact CH2-ND2 3.33Å; W352-N356 WeakPolarHBondContact CZ2-ND2 3.47Å; W352-N356 VanDerWaalsContact CZ3-ND2 3.33Å; W352-N356 WeakPolarHBondContact CZ3-ND2 3.24Å; W352-N356 PolarHBondContact O-N 3.43Å; W352-N356 PolarHBondContact O-ND2 2.95Å; R353-N356 PolarHBondContact O-N 3.19Å; L354-N356 PolarHBondContact O-N 2.86Å; N356-F359 PolarHBondContact O-N 3.48Å; N356-F359 VanDerWaalsContact O-N 3.14Å; N356-F366 WeakPolarHBondContact OD1-CE2 3.27Å
357	W	89.3	Confident	86.7	Confident	120 Å²	120	41.2 Å²	41.2	46%	0.455	18%	0.183	S	C	.	.	H	α-helix	trans	-68.1	-35.1	178.8	-175.5	75.1	0	0	0	113.1	R279 A282 R353 L354 T355 F359	R279-W357 HydrophobicContact CB-CE3 4.25Å; R279-W357 HydrophobicContact CB-CH2 4.06Å; R279-W357 HydrophobicContact CB-CZ3 3.91Å; R279-W357 WeakPolarHBondContact CD-O 3.07Å; R279-W357 HydrophobicContact CG-CH2 3.98Å; R279-W357 HydrophobicContact CG-CZ2 4.04Å; R279-W357 HydrophobicContact CG-CZ3 4.27Å; R279-W357 PolarHBondContact NH1-O 3.12Å; R279-W357 WeakPolarHBondContact O-CZ3 3.36Å; A282-W357 HydrophobicContact CB-CH2 3.41Å; A282-W357 VanDerWaalsContact CB-CH2 3.41Å; A282-W357 HydrophobicContact CB-CZ3 3.55Å; R353-W357 WeakPolarHBondContact O-CB 3.48Å; R353-W357 PolarHBondContact O-N 3.47Å; L354-W357 WeakPolarHBondContact O-CB 3.5Å; L354-W357 PolarHBondContact O-N 3.25Å; L354-W357 VanDerWaalsContact O-N 3.1Å; T355-W357 VanDerWaalsContact C-N 3.3Å; W357-F359 PolarHBondContact O-N 3.06Å; W357-F359 VanDerWaalsContact O-N 3.15Å
358	E	90.9	Very high	86.6	Confident	18 Å²	18	43.7 Å²	43.7	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-23.4	170.7	-74.1	173.9	-175.2	0	0	113.3	S283 L354 T355 S369 K373	S283-E358 WeakPolarHBondContact CB-OE1 3.32Å; S283-E358 PolarHBondContact OG-OE1 2.79Å; L354-E358 PolarHBondContact O-N 3.49Å; T355-E358 PolarHBondContact O-N 3.45Å; E358-S369 PolarHBondContact OE2-OG 3.03Å; E358-K373 WeakPolarHBondContact OE1-CE 3.49Å; E358-K373 IonicContact OE1-NZ 3.3Å; E358-K373 PolarHBondContact OE1-NZ 3.3Å; E358-K373 IonicContact OE2-NZ 3.45Å; E358-K373 PolarHBondContact OE2-NZ 3.26Å
359	F	89	Confident	86.9	Confident	31 Å²	31	45 Å²	45	14%	0.136	21%	0.206	C	C	.	.			trans	56.7	59.4	175.2	-163.6	-118.7	0	0	0	113.6	F251 A255 L271 N356 W357	F251-F359 VanDerWaalsContact CA-CZ 3.49Å; F251-F359 HydrophobicContact CB-CE2 4.42Å; F251-F359 HydrophobicContact CB-CZ 4.23Å; F251-F359 AromaticContact CD2-CD1 3.6Å; F251-F359 HydrophobicContact CD2-CD1 3.6Å; F251-F359 HydrophobicContact CD2-CD2 4.46Å; F251-F359 AromaticContact CD2-CE1 3.33Å; F251-F359 HydrophobicContact CD2-CE1 3.33Å; F251-F359 HydrophobicContact CD2-CE2 4.24Å; F251-F359 HydrophobicContact CD2-CG 4.17Å; F251-F359 AromaticContact CD2-CZ 3.69Å; F251-F359 HydrophobicContact CD2-CZ 3.69Å; F251-F359 AromaticContact CE2-CD1 3.73Å; F251-F359 HydrophobicContact CE2-CD1 3.73Å; F251-F359 AromaticContact CE2-CE1 3.58Å; F251-F359 HydrophobicContact CE2-CE1 3.58Å; F251-F359 HydrophobicContact CE2-CZ 4.36Å; F251-F359 HydrophobicContact CG-CE1 4.17Å; F251-F359 HydrophobicContact CG-CZ 4.15Å; A255-F359 HydrophobicContact CB-CE1 4.14Å; A255-F359 HydrophobicContact CB-CZ 4.32Å; L271-F359 HydrophobicContact CD1-CD1 4.25Å; L271-F359 HydrophobicContact CD2-CD1 4.32Å; N356-F359 PolarHBondContact O-N 3.48Å; N356-F359 VanDerWaalsContact O-N 3.14Å; W357-F359 PolarHBondContact O-N 3.06Å; W357-F359 VanDerWaalsContact O-N 3.15Å
360	P	88	Confident	87.2	Confident	10 Å²	10	42 Å²	42	7%	0.065	19%	0.193	C	C	.	.			trans	-67.1	150.2	178.2	27.6	-33.8	0	0	0	112.1	T355 E365 F366	T355-P360 VanDerWaalsContact O-CD 3.25Å; T355-P360 WeakPolarHBondContact O-CD 3.49Å; P360-E365 HydrophobicContact CB-CB 3.94Å; P360-F366 HydrophobicContact CB-CB 4.25Å; P360-F366 HydrophobicContact CG-CB 3.58Å; P360-F366 HydrophobicContact CG-CD2 3.66Å; P360-F366 HydrophobicContact CG-CG 4.11Å
361	R	83.5	Confident	87.3	Confident	86 Å²	86	39.6 Å²	39.6	33%	0.325	18%	0.181	S	C	.	.	S	Bend	trans	-78.3	-45.8	-174.9	176.4	-179.7	168.3	172.7	0.4	112.3	V247 R248 F251 E268 E365	V247-R361 HydrophobicContact CG1-CG 4.16Å; R248-R361 PolarHBondContact N-O 3.02Å; F251-R361 HydrophobicContact CD1-CB 4.3Å; F251-R361 HydrophobicContact CD1-CG 3.95Å; F251-R361 HydrophobicContact CD2-CB 4.31Å; F251-R361 HydrophobicContact CE1-CB 4.08Å; F251-R361 HydrophobicContact CE1-CG 3.71Å; F251-R361 HydrophobicContact CE2-CB 4.1Å; F251-R361 HydrophobicContact CG-CB 4.4Å; F251-R361 HydrophobicContact CG-CG 4.49Å; F251-R361 HydrophobicContact CZ-CB 3.99Å; F251-R361 HydrophobicContact CZ-CG 4.09Å; E268-R361 IonicContact OE1-NH2 2.78Å; E268-R361 IonicContact OE2-CZ 3.61Å; E268-R361 IonicContact OE2-NH1 3.22Å; E268-R361 PolarHBondContact OE2-NH1 3.16Å; E268-R361 IonicContact OE2-NH2 3.15Å; E268-R361 PolarHBondContact OE2-NH2 3.19Å; R361-E365 PolarHBondContact N-OE2 3.13Å
362	T	81.7	Confident	87.3	Confident	26 Å²	26	45 Å²	45	16%	0.16	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-110.8	156.5	-175.4	63.2	0	0	0	0	111.2	D245 S364 E365 F366	D245-T362 HydrophobicContact CB-CG2 4.41Å; T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.33Å; T362-E365 PolarHBondContact O-N 2.86Å; T362-E365 WeakPolarHBondContact OG1-CG 3.35Å; T362-E365 PolarHBondContact OG1-N 3.43Å; T362-F366 PolarHBondContact O-N 3.5Å; T362-F366 VanDerWaalsContact O-N 3.07Å
363	E	77.8	Confident	87.6	Confident	40 Å²	40	43 Å²	43	19%	0.187	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-37	173.9	-67.1	-68	165.2	0	0	111.3	R248 F366 E367 R496	R248-E363 WeakPolarHBondContact CG-OE1 3.44Å; E363-F366 WeakPolarHBondContact O-CB 3.28Å; E363-F366 PolarHBondContact O-N 2.93Å; E363-E367 WeakPolarHBondContact O-CB 3.15Å; E363-E367 WeakPolarHBondContact O-CG 2.97Å; E363-E367 PolarHBondContact O-N 3.44Å; E363-R496 WeakPolarHBondContact OE1-CD 3.46Å; E363-R496 IonicContact OE1-CZ 4Å; E363-R496 IonicContact OE1-NE 3.44Å; E363-R496 IonicContact OE1-NH1 3.87Å; E363-R496 PolarHBondContact OE1-NH1 3.47Å
364	S	80.8	Confident	87.8	Confident	29 Å²	29	36.1 Å²	36.1	20%	0.203	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176	-64.1	0	0	0	0	112.8	D245 T362 F366 N368	D245-S364 VanDerWaalsContact OD2-CB 3.23Å; D245-S364 WeakPolarHBondContact OD2-CB 3.49Å; D245-S364 PolarHBondContact OD2-OG 3.28Å; T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.33Å; S364-F366 VanDerWaalsContact C-N 3.34Å; S364-N368 WeakPolarHBondContact O-CB 3.46Å; S364-N368 PolarHBondContact O-N 3.39Å; S364-N368 PolarHBondContact O-ND2 3.38Å
365	E	85.3	Confident	87.9	Confident	65 Å²	65	36.1 Å²	36.1	30%	0.304	17%	0.17	S	C	.	.	H	α-helix	trans	-63.1	-41	173.4	-79	-170.1	151.7	0	0	111.7	R276 P360 R361 T362 S369	R276-E365 IonicContact CZ-OE1 3.41Å; R276-E365 IonicContact NH1-OE1 2.92Å; R276-E365 IonicContact NH2-OE1 3.14Å; R276-E365 PolarHBondContact NH2-OE1 2.93Å; R276-E365 IonicContact NH2-OE2 3.36Å; R276-E365 PolarHBondContact NH2-OE2 2.99Å; P360-E365 HydrophobicContact CB-CB 3.94Å; R361-E365 PolarHBondContact N-OE2 3.13Å; T362-E365 PolarHBondContact O-N 2.86Å; T362-E365 WeakPolarHBondContact OG1-CG 3.35Å; T362-E365 PolarHBondContact OG1-N 3.43Å; E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.27Å; E365-S369 PolarHBondContact O-N 3.07Å
366	F	86.9	Confident	88.1	Confident	7 Å²	7	38.6 Å²	38.6	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-52.7	175.8	178.1	-94	0	0	0	111.5	W352 T355 N356 P360 T362 E363 S364 N368 S369 Y370	W352-F366 AromaticContact CD1-CZ 3.86Å; W352-F366 AromaticContact NE1-CZ 3.99Å; T355-F366 HydrophobicContact CG2-CD2 3.55Å; T355-F366 HydrophobicContact CG2-CE2 3.64Å; T355-F366 HydrophobicContact CG2-CG 4.29Å; T355-F366 HydrophobicContact CG2-CZ 4.45Å; N356-F366 WeakPolarHBondContact OD1-CE2 3.27Å; P360-F366 HydrophobicContact CB-CB 4.25Å; P360-F366 HydrophobicContact CG-CB 3.58Å; P360-F366 HydrophobicContact CG-CD2 3.66Å; P360-F366 HydrophobicContact CG-CG 4.11Å; T362-F366 PolarHBondContact O-N 3.5Å; T362-F366 VanDerWaalsContact O-N 3.07Å; E363-F366 WeakPolarHBondContact O-CB 3.28Å; E363-F366 PolarHBondContact O-N 2.93Å; S364-F366 VanDerWaalsContact C-N 3.34Å; F366-N368 VanDerWaalsContact C-N 3.33Å; F366-N368 PolarHBondContact O-N 3.32Å; F366-S369 PolarHBondContact O-N 2.85Å; F366-Y370 VanDerWaalsContact O-CB 3.26Å; F366-Y370 WeakPolarHBondContact O-CB 3.38Å; F366-Y370 PolarHBondContact O-N 2.98Å
367	E	84	Confident	88.4	Confident	47 Å²	47	37.3 Å²	37.3	22%	0.22	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-43.7	179.6	-74.4	-167	163.3	0	0	111.1	K123 E363 T371 N498	K123-E367 IonicContact NZ-OE1 2.9Å; K123-E367 PolarHBondContact NZ-OE1 3.19Å; K123-E367 IonicContact NZ-OE2 3.38Å; K123-E367 PolarHBondContact NZ-OE2 3.13Å; E363-E367 WeakPolarHBondContact O-CB 3.15Å; E363-E367 WeakPolarHBondContact O-CG 2.97Å; E363-E367 PolarHBondContact O-N 3.44Å; E367-T371 WeakPolarHBondContact O-CB 3.39Å; E367-T371 PolarHBondContact O-N 2.89Å; E367-T371 PolarHBondContact O-OG1 3.45Å; E367-N498 PolarHBondContact OE1-ND2 2.98Å
368	N	88.6	Confident	88.6	Confident	61 Å²	61	31.8 Å²	31.8	33%	0.326	16%	0.155	S	C	.	.	H	α-helix	trans	-63.1	-47.5	178.9	-73.2	-14.5	0	0	0	112.2	S364 F366 T371 F372 V560	S364-N368 WeakPolarHBondContact O-CB 3.46Å; S364-N368 PolarHBondContact O-N 3.39Å; S364-N368 PolarHBondContact O-ND2 3.38Å; F366-N368 VanDerWaalsContact C-N 3.33Å; F366-N368 PolarHBondContact O-N 3.32Å; N368-T371 PolarHBondContact O-N 3.48Å; N368-F372 WeakPolarHBondContact O-CB 3.29Å; N368-F372 PolarHBondContact O-N 2.96Å; N368-V560 HydrophobicContact CB-CG2 3.64Å; N368-V560 WeakPolarHBondContact OD1-CG2 3.49Å
369	S	91.4	Very high	88.7	Confident	32 Å²	32	32.3 Å²	32.3	22%	0.224	16%	0.157	C	C	.	.	H	α-helix	trans	-67.7	-41.5	-179.3	-168.7	0	0	0	0	112	E358 E365 F366 K373	E358-S369 PolarHBondContact OE2-OG 3.03Å; E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.27Å; E365-S369 PolarHBondContact O-N 3.07Å; F366-S369 PolarHBondContact O-N 2.85Å; S369-K373 WeakPolarHBondContact O-CG 3.45Å; S369-K373 PolarHBondContact O-N 2.92Å; S369-K373 PolarHBondContact O-NZ 3.31Å; S369-K373 PolarHBondContact OG-NZ 2.94Å
370	Y	90	Very high	89	Confident	3 Å²	3	32.5 Å²	32.5	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-47	174.2	177.2	-110.1	0	0	0	111.2	A351 W352 F366 F372 K373 V374 I497 F501	A351-Y370 HydrophobicContact CB-CD2 4.19Å; A351-Y370 HydrophobicContact CB-CE2 3.96Å; W352-Y370 HydrophobicContact CB-CE2 4.06Å; F366-Y370 VanDerWaalsContact O-CB 3.26Å; F366-Y370 WeakPolarHBondContact O-CB 3.38Å; F366-Y370 PolarHBondContact O-N 2.98Å; Y370-F372 PolarHBondContact O-N 3.36Å; Y370-K373 PolarHBondContact O-N 3.26Å; Y370-V374 HydrophobicContact CD2-CG2 4.01Å; Y370-V374 HydrophobicContact CE1-CG2 4.15Å; Y370-V374 HydrophobicContact CE2-CG2 3.59Å; Y370-V374 HydrophobicContact CG-CG2 4.45Å; Y370-V374 WeakPolarHBondContact O-CG2 3.45Å; Y370-V374 PolarHBondContact O-N 3.44Å; Y370-I497 HydrophobicContact CE1-CD1 4.3Å; Y370-I497 HydrophobicContact CE1-CG2 4.35Å; Y370-F501 HydrophobicContact CD1-CD2 4.44Å; Y370-F501 HydrophobicContact CD1-CE1 4.19Å; Y370-F501 HydrophobicContact CD1-CE2 4.15Å; Y370-F501 HydrophobicContact CD1-CZ 4.01Å; Y370-F501 AromaticContact CE1-CD1 3.8Å; Y370-F501 HydrophobicContact CE1-CD1 3.8Å; Y370-F501 HydrophobicContact CE1-CD2 4.49Å; Y370-F501 AromaticContact CE1-CE1 3.44Å; Y370-F501 HydrophobicContact CE1-CE1 3.44Å; Y370-F501 VanDerWaalsContact CE1-CE1 3.44Å; Y370-F501 HydrophobicContact CE1-CE2 4.21Å; Y370-F501 HydrophobicContact CE1-CG 4.32Å; Y370-F501 AromaticContact CE1-CZ 3.67Å; Y370-F501 HydrophobicContact CE1-CZ 3.67Å
371	T	90.3	Very high	89.2	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-49.1	-179.6	-65.1	0	0	0	0	111.7	E367 N368 K373 V374 F375 F501 V560 W561 I564	E367-T371 WeakPolarHBondContact O-CB 3.39Å; E367-T371 PolarHBondContact O-N 2.89Å; E367-T371 PolarHBondContact O-OG1 3.45Å; N368-T371 PolarHBondContact O-N 3.48Å; T371-K373 PolarHBondContact O-N 3.46Å; T371-V374 PolarHBondContact O-N 2.93Å; T371-F375 WeakPolarHBondContact O-CB 3.49Å; T371-F375 PolarHBondContact O-N 3.41Å; T371-F501 HydrophobicContact CG2-CE2 3.96Å; T371-F501 WeakPolarHBondContact OG1-CD2 2.96Å; T371-F501 VanDerWaalsContact OG1-CE2 3.22Å; T371-F501 WeakPolarHBondContact OG1-CE2 3.35Å; T371-V560 HydrophobicContact CG2-CG1 4.45Å; T371-W561 HydrophobicContact CG2-CD2 3.89Å; T371-W561 HydrophobicContact CG2-CE3 4.01Å; T371-W561 HydrophobicContact CG2-CH2 3.61Å; T371-W561 HydrophobicContact CG2-CZ2 3.49Å; T371-W561 VanDerWaalsContact CG2-CZ2 3.49Å; T371-W561 HydrophobicContact CG2-CZ3 3.87Å; T371-I564 HydrophobicContact CG2-CD1 3.98Å
372	F	92.3	Very high	89.7	Confident	114 Å²	114	28.1 Å²	28.1	50%	0.5	14%	0.142	S	C	.	.	H	α-helix	trans	-61.9	-43.5	-179.2	-175.2	-100.5	0	0	0	112.2	N368 Y370 L376	N368-F372 WeakPolarHBondContact O-CB 3.29Å; N368-F372 PolarHBondContact O-N 2.96Å; Y370-F372 PolarHBondContact O-N 3.36Å; F372-L376 HydrophobicContact CE1-CD2 4.37Å; F372-L376 VanDerWaalsContact O-CB 3.29Å; F372-L376 WeakPolarHBondContact O-CB 3.22Å; F372-L376 PolarHBondContact O-N 3.41Å
373	K	92.7	Very high	90.3	Very high	12 Å²	12	26.9 Å²	26.9	5%	0.052	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-47.1	178.8	-71.1	-175.1	-165.1	81.8	0	113	S283 V287 Y347 T355 E358 S369 Y370 T371 F377	S283-K373 VanDerWaalsContact OG-CE 3.26Å; S283-K373 WeakPolarHBondContact OG-CE 3.45Å; V287-K373 HydrophobicContact CG2-CD 3.81Å; V287-K373 HydrophobicContact CG2-CG 4.03Å; Y347-K373 VanDerWaalsContact CE1-O 3.31Å; Y347-K373 WeakPolarHBondContact CE1-O 3.21Å; Y347-K373 PolarHBondContact OH-O 2.98Å; T355-K373 PolarHBondContact OG1-NZ 3.39Å; E358-K373 WeakPolarHBondContact OE1-CE 3.49Å; E358-K373 IonicContact OE1-NZ 3.3Å; E358-K373 PolarHBondContact OE1-NZ 3.3Å; E358-K373 IonicContact OE2-NZ 3.45Å; E358-K373 PolarHBondContact OE2-NZ 3.26Å; S369-K373 WeakPolarHBondContact O-CG 3.45Å; S369-K373 PolarHBondContact O-N 2.92Å; S369-K373 PolarHBondContact O-NZ 3.31Å; S369-K373 PolarHBondContact OG-NZ 2.94Å; Y370-K373 PolarHBondContact O-N 3.26Å; T371-K373 PolarHBondContact O-N 3.46Å; K373-F377 PolarHBondContact O-N 2.83Å
374	V	91.8	Very high	91	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-45.6	-179.9	173.7	0	0	0	0	110.3	A351 Y370 T371 L376 F377 Q378 F501 L505	A351-V374 HydrophobicContact CB-CG2 3.75Å; Y370-V374 HydrophobicContact CD2-CG2 4.01Å; Y370-V374 HydrophobicContact CE1-CG2 4.15Å; Y370-V374 HydrophobicContact CE2-CG2 3.59Å; Y370-V374 HydrophobicContact CG-CG2 4.45Å; Y370-V374 WeakPolarHBondContact O-CG2 3.45Å; Y370-V374 PolarHBondContact O-N 3.44Å; T371-V374 PolarHBondContact O-N 2.93Å; V374-L376 PolarHBondContact O-N 3.43Å; V374-F377 PolarHBondContact O-N 3.05Å; V374-Q378 HydrophobicContact CG1-CG 4.33Å; V374-Q378 WeakPolarHBondContact O-CB 3.38Å; V374-Q378 WeakPolarHBondContact O-CG 3.22Å; V374-Q378 PolarHBondContact O-N 2.94Å; V374-F501 HydrophobicContact CB-CZ 3.97Å; V374-F501 HydrophobicContact CG1-CE1 4.27Å; V374-F501 HydrophobicContact CG1-CZ 3.91Å; V374-F501 HydrophobicContact CG2-CZ 4.38Å; V374-L505 HydrophobicContact CG1-CD2 3.82Å
375	F	93.6	Very high	91.5	Very high	21 Å²	21	24.6 Å²	24.6	9%	0.092	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-49.2	176.3	170	-101.5	0	0	0	111.7	T371 F377 Q378 F379 V508 W561 I564 I568	T371-F375 WeakPolarHBondContact O-CB 3.49Å; T371-F375 PolarHBondContact O-N 3.41Å; F375-F377 VanDerWaalsContact C-N 3.33Å; F375-F377 PolarHBondContact O-N 2.8Å; F375-Q378 PolarHBondContact O-N 2.96Å; F375-F379 HydrophobicContact CE1-CB 4.42Å; F375-F379 HydrophobicContact CE1-CD2 4.48Å; F375-F379 HydrophobicContact CE2-CB 4.33Å; F375-F379 HydrophobicContact CE2-CD2 4.15Å; F375-F379 HydrophobicContact CZ-CB 4.12Å; F375-F379 AromaticContact CZ-CD2 3.67Å; F375-F379 HydrophobicContact CZ-CD2 3.67Å; F375-F379 HydrophobicContact CZ-CG 4.16Å; F375-F379 WeakPolarHBondContact O-CB 3.34Å; F375-F379 PolarHBondContact O-N 3.47Å; F375-V508 HydrophobicContact CD2-CG1 4.36Å; F375-V508 HydrophobicContact CE2-CG1 4.08Å; F375-W561 HydrophobicContact CB-CZ3 4.46Å; F375-W561 HydrophobicContact CD2-CZ3 4.47Å; F375-I564 HydrophobicContact CB-CD1 3.99Å; F375-I564 HydrophobicContact CD1-CD1 3.91Å; F375-I564 HydrophobicContact CD1-CG1 3.99Å; F375-I564 HydrophobicContact CD1-CG2 3.9Å; F375-I564 HydrophobicContact CD2-CD1 4.42Å; F375-I564 HydrophobicContact CD2-CG2 3.74Å; F375-I564 HydrophobicContact CE1-CB 4.48Å; F375-I564 HydrophobicContact CE1-CG1 4.25Å; F375-I564 HydrophobicContact CE1-CG2 3.58Å; F375-I564 HydrophobicContact CE2-CG2 3.41Å; F375-I564 VanDerWaalsContact CE2-CG2 3.41Å; F375-I564 HydrophobicContact CG-CD1 3.81Å; F375-I564 HydrophobicContact CG-CG1 4.33Å; F375-I564 HydrophobicContact CG-CG2 3.98Å; F375-I564 HydrophobicContact CZ-CG2 3.34Å; F375-I568 HydrophobicContact CE2-CD1 3.85Å; F375-I568 HydrophobicContact CZ-CD1 3.84Å; F375-I568 HydrophobicContact CZ-CG1 4.05Å
376	L	94.1	Very high	91.9	Very high	51 Å²	51	21.5 Å²	21.5	27%	0.267	11%	0.108	S	C	.	.	H	α-helix	trans	-60	-43.9	-177.7	-178.6	62.8	0	0	0	112.1	V287 L291 F372 V374 I380	V287-L376 HydrophobicContact CG1-CD2 4.46Å; L291-L376 HydrophobicContact CD1-CD2 3.8Å; L291-L376 HydrophobicContact CD1-CG 4.01Å; L291-L376 HydrophobicContact CD2-CG 4.42Å; F372-L376 HydrophobicContact CE1-CD2 4.37Å; F372-L376 VanDerWaalsContact O-CB 3.29Å; F372-L376 WeakPolarHBondContact O-CB 3.22Å; F372-L376 PolarHBondContact O-N 3.41Å; V374-L376 PolarHBondContact O-N 3.43Å; L376-I380 HydrophobicContact CD1-CD1 4.26Å; L376-I380 PolarHBondContact O-N 2.96Å
377	F	94.8	Very high	92.3	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-51.4	176.1	178	-88.2	0	0	0	111.8	C290 L291 V294 L343 Y347 K373 V374 F375 F379 I380 N381	C290-F377 HydrophobicContact CB-CD2 4.3Å; C290-F377 HydrophobicContact CB-CE2 4.26Å; L291-F377 HydrophobicContact CD2-CB 4.21Å; L291-F377 HydrophobicContact CD2-CD2 4.22Å; V294-F377 HydrophobicContact CG2-CD2 3.92Å; V294-F377 HydrophobicContact CG2-CE1 4.35Å; V294-F377 HydrophobicContact CG2-CE2 3.18Å; V294-F377 HydrophobicContact CG2-CZ 3.44Å; V294-F377 VanDerWaalsContact CG2-CZ 3.44Å; L343-F377 HydrophobicContact CB-CE1 4.39Å; L343-F377 HydrophobicContact CB-CZ 4.12Å; Y347-F377 VanDerWaalsContact CB-CE1 3.41Å; Y347-F377 VanDerWaalsContact CB-CZ 3.49Å; Y347-F377 HydrophobicContact CD1-CB 3.42Å; Y347-F377 VanDerWaalsContact CD1-CB 3.42Å; Y347-F377 AromaticContact CD1-CD1 3.5Å; Y347-F377 HydrophobicContact CD1-CD1 3.5Å; Y347-F377 AromaticContact CD1-CD2 3.83Å; Y347-F377 HydrophobicContact CD1-CD2 3.83Å; Y347-F377 HydrophobicContact CD1-CE1 4.2Å; Y347-F377 HydrophobicContact CD1-CE2 4.44Å; Y347-F377 AromaticContact CD1-CG 3.29Å; Y347-F377 HydrophobicContact CD1-CG 3.29Å; Y347-F377 HydrophobicContact CD2-CB 4.32Å; Y347-F377 HydrophobicContact CD2-CD1 4.3Å; Y347-F377 AromaticContact CD2-CD2 3.29Å; Y347-F377 HydrophobicContact CD2-CD2 3.29Å; Y347-F377 HydrophobicContact CD2-CE1 4.5Å; Y347-F377 AromaticContact CD2-CE2 3.51Å; Y347-F377 HydrophobicContact CD2-CE2 3.51Å; Y347-F377 AromaticContact CD2-CG 3.73Å; Y347-F377 HydrophobicContact CD2-CG 3.73Å; Y347-F377 HydrophobicContact CD2-CZ 4.13Å; Y347-F377 HydrophobicContact CE1-CB 3.16Å; Y347-F377 HydrophobicContact CE1-CD1 4.2Å; Y347-F377 HydrophobicContact CE1-CD2 4.04Å; Y347-F377 AromaticContact CE1-CG 3.56Å; Y347-F377 HydrophobicContact CE1-CG 3.56Å; Y347-F377 HydrophobicContact CE2-CB 4.11Å; Y347-F377 AromaticContact CE2-CD2 3.54Å; Y347-F377 HydrophobicContact CE2-CD2 3.54Å; Y347-F377 HydrophobicContact CE2-CE2 4.16Å; Y347-F377 AromaticContact CE2-CG 3.96Å; Y347-F377 HydrophobicContact CE2-CG 3.96Å; Y347-F377 HydrophobicContact CG-CB 3.99Å; Y347-F377 AromaticContact CG-CD1 3.54Å; Y347-F377 HydrophobicContact CG-CD1 3.54Å; Y347-F377 AromaticContact CG-CD2 3.43Å; Y347-F377 HydrophobicContact CG-CD2 3.43Å; Y347-F377 VanDerWaalsContact CG-CD2 3.43Å; Y347-F377 AromaticContact CG-CE1 3.8Å; Y347-F377 HydrophobicContact CG-CE1 3.8Å; Y347-F377 AromaticContact CG-CE2 3.65Å; Y347-F377 HydrophobicContact CG-CE2 3.65Å; Y347-F377 AromaticContact CG-CG 3.36Å; Y347-F377 HydrophobicContact CG-CG 3.36Å; Y347-F377 AromaticContact CG-CZ 3.84Å; Y347-F377 HydrophobicContact CG-CZ 3.84Å; Y347-F377 AromaticContact CZ-CD2 3.87Å; Y347-F377 AromaticContact CZ-CG 3.86Å; K373-F377 PolarHBondContact O-N 2.83Å; V374-F377 PolarHBondContact O-N 3.05Å; F375-F377 VanDerWaalsContact C-N 3.33Å; F375-F377 PolarHBondContact O-N 2.8Å; F377-F379 VanDerWaalsContact C-N 3.31Å; F377-F379 PolarHBondContact O-N 3.47Å; F377-I380 PolarHBondContact O-N 2.97Å; F377-N381 HydrophobicContact CE1-CB 4.3Å; F377-N381 WeakPolarHBondContact O-CB 3.47Å; F377-N381 PolarHBondContact O-N 2.93Å
378	Q	92.2	Very high	92.6	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-37.9	-178.6	-71.2	-169.9	-4.5	0	0	111.8	V374 F375 I380 N381 Y382 L509	V374-Q378 HydrophobicContact CG1-CG 4.33Å; V374-Q378 WeakPolarHBondContact O-CB 3.38Å; V374-Q378 WeakPolarHBondContact O-CG 3.22Å; V374-Q378 PolarHBondContact O-N 2.94Å; F375-Q378 PolarHBondContact O-N 2.96Å; Q378-I380 PolarHBondContact O-N 3.02Å; Q378-N381 PolarHBondContact O-N 3.2Å; Q378-Y382 HydrophobicContact CB-CD2 4.23Å; Q378-Y382 HydrophobicContact CB-CE2 4.35Å; Q378-Y382 WeakPolarHBondContact O-CB 3.44Å; Q378-Y382 WeakPolarHBondContact O-CD2 3.35Å; Q378-Y382 PolarHBondContact O-N 3.33Å; Q378-L509 HydrophobicContact CB-CD1 4.27Å; Q378-L509 HydrophobicContact CB-CD2 4.46Å; Q378-L509 VanDerWaalsContact OE1-CD1 3.32Å
379	F	94	Very high	92.7	Very high	29 Å²	29	20.9 Å²	20.9	13%	0.127	10%	0.101	C	C	.	.	H	α-helix	trans	-55.5	-51.2	174	-176.2	-85.7	0	0	0	110.6	F375 F377 N381 Y383 F387 L516 L571	F375-F379 HydrophobicContact CE1-CB 4.42Å; F375-F379 HydrophobicContact CE1-CD2 4.48Å; F375-F379 HydrophobicContact CE2-CB 4.33Å; F375-F379 HydrophobicContact CE2-CD2 4.15Å; F375-F379 HydrophobicContact CZ-CB 4.12Å; F375-F379 AromaticContact CZ-CD2 3.67Å; F375-F379 HydrophobicContact CZ-CD2 3.67Å; F375-F379 HydrophobicContact CZ-CG 4.16Å; F375-F379 WeakPolarHBondContact O-CB 3.34Å; F375-F379 PolarHBondContact O-N 3.47Å; F377-F379 VanDerWaalsContact C-N 3.31Å; F377-F379 PolarHBondContact O-N 3.47Å; F379-N381 PolarHBondContact O-N 3.43Å; F379-Y383 HydrophobicContact CB-CD2 4.31Å; F379-Y383 HydrophobicContact CD1-CD2 4.07Å; F379-Y383 AromaticContact CD2-CD2 3.34Å; F379-Y383 HydrophobicContact CD2-CD2 3.34Å; F379-Y383 AromaticContact CD2-CE2 3.34Å; F379-Y383 HydrophobicContact CD2-CE2 3.34Å; F379-Y383 HydrophobicContact CE1-CD2 4.12Å; F379-Y383 AromaticContact CE2-CD2 3.39Å; F379-Y383 HydrophobicContact CE2-CD2 3.39Å; F379-Y383 AromaticContact CE2-CE2 3.51Å; F379-Y383 HydrophobicContact CE2-CE2 3.51Å; F379-Y383 HydrophobicContact CE2-CG 4.38Å; F379-Y383 AromaticContact CG-CD2 3.67Å; F379-Y383 HydrophobicContact CG-CD2 3.67Å; F379-Y383 HydrophobicContact CG-CE2 4.04Å; F379-Y383 AromaticContact CZ-CD2 3.77Å; F379-Y383 HydrophobicContact CZ-CD2 3.77Å; F379-Y383 HydrophobicContact CZ-CE2 4.33Å; F379-Y383 HydrophobicContact CZ-CG 4.44Å; F379-Y383 WeakPolarHBondContact O-CB 3.18Å; F379-Y383 WeakPolarHBondContact O-CD2 3.48Å; F379-Y383 PolarHBondContact O-N 2.83Å; F379-F387 HydrophobicContact CE1-CE2 4.09Å; F379-F387 HydrophobicContact CZ-CE2 4.19Å; F379-F387 HydrophobicContact CZ-CZ 4.37Å; F379-L516 HydrophobicContact CE2-CD1 3.99Å; F379-L516 HydrophobicContact CZ-CD1 4.24Å; F379-L571 HydrophobicContact CE1-CD2 4.24Å; F379-L571 HydrophobicContact CE2-CD2 4.32Å; F379-L571 HydrophobicContact CZ-CD2 3.5Å
380	I	94.8	Very high	92.7	Very high	36 Å²	36	19.6 Å²	19.6	19%	0.185	9%	0.093	C	C	.	.	H	α-helix	trans	-65.9	-41.3	178.1	-69.2	166.4	0	0	0	111	L291 V294 L295 L376 F377 Q378 Y382 S384	L291-I380 HydrophobicContact CB-CD1 4.28Å; L291-I380 HydrophobicContact CD1-CD1 3.8Å; L291-I380 HydrophobicContact CD2-CB 4.48Å; L291-I380 HydrophobicContact CD2-CD1 3.63Å; L291-I380 HydrophobicContact CG-CD1 4.08Å; V294-I380 HydrophobicContact CB-CG2 4.46Å; V294-I380 HydrophobicContact CG1-CG2 3.92Å; L295-I380 HydrophobicContact CD2-CG2 3.87Å; L295-I380 HydrophobicContact CG-CG2 4.24Å; L376-I380 HydrophobicContact CD1-CD1 4.26Å; L376-I380 PolarHBondContact O-N 2.96Å; F377-I380 PolarHBondContact O-N 2.97Å; Q378-I380 PolarHBondContact O-N 3.02Å; I380-Y382 PolarHBondContact O-N 2.76Å; I380-S384 WeakPolarHBondContact O-CB 3.21Å; I380-S384 PolarHBondContact O-N 3.25Å; I380-S384 PolarHBondContact O-OG 2.94Å
381	N	93.5	Very high	92.7	Very high	3 Å²	3	22 Å²	22	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-42.6	-178.6	-157.6	25.8	0	0	0	112.6	V294 V340 D344 F377 Q378 F379	V294-N381 HydrophobicContact CG1-CB 3.99Å; V340-N381 WeakPolarHBondContact CG2-O 3.29Å; V340-N381 PolarHBondContact O-ND2 3.08Å; D344-N381 PolarHBondContact OD1-ND2 2.91Å; F377-N381 HydrophobicContact CE1-CB 4.3Å; F377-N381 WeakPolarHBondContact O-CB 3.47Å; F377-N381 PolarHBondContact O-N 2.93Å; Q378-N381 PolarHBondContact O-N 3.2Å; F379-N381 PolarHBondContact O-N 3.43Å
382	Y	92.5	Very high	92.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-80.7	-40	179.4	-78.6	-70.2	0	0	0	114.1	V340 D344 Q378 I380 I431 K435 L509 F513	V340-Y382 HydrophobicContact CB-CE1 4.49Å; V340-Y382 HydrophobicContact CG1-CD1 3.61Å; V340-Y382 HydrophobicContact CG1-CD2 4.29Å; V340-Y382 HydrophobicContact CG1-CE1 3.23Å; V340-Y382 HydrophobicContact CG1-CE2 3.92Å; V340-Y382 HydrophobicContact CG1-CG 4.11Å; D344-Y382 WeakPolarHBondContact OD2-CE2 3.45Å; D344-Y382 PolarHBondContact OD2-OH 3.5Å; Q378-Y382 HydrophobicContact CB-CD2 4.23Å; Q378-Y382 HydrophobicContact CB-CE2 4.35Å; Q378-Y382 WeakPolarHBondContact O-CB 3.44Å; Q378-Y382 WeakPolarHBondContact O-CD2 3.35Å; Q378-Y382 PolarHBondContact O-N 3.33Å; I380-Y382 PolarHBondContact O-N 2.76Å; Y382-I431 HydrophobicContact CD1-CG2 3.66Å; Y382-I431 HydrophobicContact CE1-CG2 4.2Å; Y382-K435 HydrophobicContact CE1-CD 3.63Å; Y382-K435 WeakPolarHBondContact OH-CD 3.44Å; Y382-K435 WeakPolarHBondContact OH-CE 3.38Å; Y382-K435 PolarHBondContact OH-NZ 3.48Å; Y382-L509 HydrophobicContact CD2-CD1 3.96Å; Y382-L509 HydrophobicContact CD2-CD2 4.43Å; Y382-L509 HydrophobicContact CE2-CD1 3.93Å; Y382-F513 AromaticContact CD1-CZ 3.87Å; Y382-F513 HydrophobicContact CD1-CZ 3.87Å; Y382-F513 HydrophobicContact CG-CZ 4.01Å
383	Y	93.9	Very high	92.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-96	-18.2	-169.6	-58.9	-64.6	0	0	0	114.3	F379 S385 L386 F387 L509 G512 F513 L516 F517	F379-Y383 HydrophobicContact CB-CD2 4.31Å; F379-Y383 HydrophobicContact CD1-CD2 4.07Å; F379-Y383 AromaticContact CD2-CD2 3.34Å; F379-Y383 HydrophobicContact CD2-CD2 3.34Å; F379-Y383 AromaticContact CD2-CE2 3.34Å; F379-Y383 HydrophobicContact CD2-CE2 3.34Å; F379-Y383 HydrophobicContact CE1-CD2 4.12Å; F379-Y383 AromaticContact CE2-CD2 3.39Å; F379-Y383 HydrophobicContact CE2-CD2 3.39Å; F379-Y383 AromaticContact CE2-CE2 3.51Å; F379-Y383 HydrophobicContact CE2-CE2 3.51Å; F379-Y383 HydrophobicContact CE2-CG 4.38Å; F379-Y383 AromaticContact CG-CD2 3.67Å; F379-Y383 HydrophobicContact CG-CD2 3.67Å; F379-Y383 HydrophobicContact CG-CE2 4.04Å; F379-Y383 AromaticContact CZ-CD2 3.77Å; F379-Y383 HydrophobicContact CZ-CD2 3.77Å; F379-Y383 HydrophobicContact CZ-CE2 4.33Å; F379-Y383 HydrophobicContact CZ-CG 4.44Å; F379-Y383 WeakPolarHBondContact O-CB 3.18Å; F379-Y383 WeakPolarHBondContact O-CD2 3.48Å; F379-Y383 PolarHBondContact O-N 2.83Å; Y383-S385 PolarHBondContact O-N 3.41Å; Y383-L386 HydrophobicContact CD1-CD1 4Å; Y383-L386 WeakPolarHBondContact O-CB 2.99Å; Y383-L386 PolarHBondContact O-N 3.29Å; Y383-F387 HydrophobicContact CG-CE2 4.5Å; Y383-F387 WeakPolarHBondContact O-CD2 3.21Å; Y383-F387 PolarHBondContact O-N 3Å; Y383-L509 HydrophobicContact CE2-CD2 4.23Å; Y383-L509 PolarHBondContact OH-O 3.16Å; Y383-G512 VanDerWaalsContact OH-CA 3.3Å; Y383-G512 WeakPolarHBondContact OH-CA 3.48Å; Y383-F513 HydrophobicContact CD1-CD1 4.13Å; Y383-F513 AromaticContact CD1-CE1 3.91Å; Y383-F513 HydrophobicContact CD1-CE1 3.91Å; Y383-F513 AromaticContact CE1-CD1 3.38Å; Y383-F513 HydrophobicContact CE1-CD1 3.38Å; Y383-F513 AromaticContact CE1-CE1 3.42Å; Y383-F513 HydrophobicContact CE1-CE1 3.42Å; Y383-F513 VanDerWaalsContact CE1-CE1 3.42Å; Y383-F513 HydrophobicContact CE1-CG 4.07Å; Y383-F513 HydrophobicContact CE1-CZ 4.15Å; Y383-F513 PolarHBondContact OH-N 3.32Å; Y383-L516 HydrophobicContact CD1-CD1 4.23Å; Y383-L516 HydrophobicContact CD2-CD1 4.48Å; Y383-L516 HydrophobicContact CE1-CD1 4.01Å; Y383-L516 HydrophobicContact CE2-CD1 4.33Å; Y383-L516 HydrophobicContact CG-CD1 4.48Å; Y383-F517 HydrophobicContact CD1-CD2 4.36Å; Y383-F517 AromaticContact CD1-CE2 3.73Å; Y383-F517 HydrophobicContact CD1-CE2 3.73Å; Y383-F517 HydrophobicContact CE1-CE2 4.41Å
384	S	93.6	Very high	91.7	Very high	14 Å²	14	22.3 Å²	22.3	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-55.9	-47.3	-179.2	49.8	0	0	0	0	113.4	T298 I380 L386 F387 Y388	T298-S384 WeakPolarHBondContact CG2-OG 3.35Å; I380-S384 WeakPolarHBondContact O-CB 3.21Å; I380-S384 PolarHBondContact O-N 3.25Å; I380-S384 PolarHBondContact O-OG 2.94Å; S384-L386 VanDerWaalsContact C-N 3.26Å; S384-L386 PolarHBondContact O-N 3.49Å; S384-F387 PolarHBondContact O-N 2.86Å; S384-Y388 PolarHBondContact O-N 3.37Å
385	S	92.2	Very high	91.2	Very high	8 Å²	8	28 Å²	28	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-34.4	176.7	64.3	0	0	0	0	112.2	N336 Y383 I389 Q427	N336-S385 PolarHBondContact ND2-OG 2.94Å; Y383-S385 PolarHBondContact O-N 3.41Å; S385-I389 VanDerWaalsContact O-CG1 3.31Å; S385-I389 WeakPolarHBondContact O-CG1 3.23Å; S385-I389 PolarHBondContact O-N 2.84Å; S385-I389 VanDerWaalsContact O-N 3.16Å; S385-Q427 PolarHBondContact OG-NE2 3.39Å
386	L	93.2	Very high	90.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71.6	-43.7	178.4	-63.4	170.8	0	0	0	111	Y383 S384 Y388 I389 A390 L424 Q427 L428 F513 F517	Y383-L386 HydrophobicContact CD1-CD1 4Å; Y383-L386 WeakPolarHBondContact O-CB 2.99Å; Y383-L386 PolarHBondContact O-N 3.29Å; S384-L386 VanDerWaalsContact C-N 3.26Å; S384-L386 PolarHBondContact O-N 3.49Å; L386-Y388 VanDerWaalsContact C-N 3.31Å; L386-Y388 PolarHBondContact O-N 2.86Å; L386-I389 PolarHBondContact O-N 3.25Å; L386-A390 VanDerWaalsContact O-CB 3.3Å; L386-A390 WeakPolarHBondContact O-CB 3.29Å; L386-A390 PolarHBondContact O-N 3.14Å; L386-L424 HydrophobicContact CB-CD1 4.06Å; L386-L424 HydrophobicContact CD2-CD1 3.75Å; L386-Q427 HydrophobicContact CD2-CB 3.83Å; L386-Q427 HydrophobicContact CD2-CG 3.5Å; L386-Q427 HydrophobicContact CG-CG 4.38Å; L386-L428 HydrophobicContact CD1-CD1 3.84Å; L386-L428 HydrophobicContact CD2-CB 4.1Å; L386-L428 HydrophobicContact CD2-CD1 4.45Å; L386-F513 HydrophobicContact CD1-CD1 4.2Å; L386-F513 HydrophobicContact CD1-CE1 3.94Å; L386-F517 HydrophobicContact CB-CE1 3.97Å; L386-F517 HydrophobicContact CB-CE2 3.91Å; L386-F517 HydrophobicContact CB-CZ 3.58Å; L386-F517 HydrophobicContact CD1-CD2 4.11Å; L386-F517 HydrophobicContact CD1-CE2 3.97Å
387	F	93.9	Very high	88.9	Confident	42 Å²	42	32.3 Å²	32.3	18%	0.184	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-37.5	174.2	-74.4	-54.2	0	0	0	112.4	F379 Y383 S384 F391 F517 L571 T575	F379-F387 HydrophobicContact CE1-CE2 4.09Å; F379-F387 HydrophobicContact CZ-CE2 4.19Å; F379-F387 HydrophobicContact CZ-CZ 4.37Å; Y383-F387 HydrophobicContact CG-CE2 4.5Å; Y383-F387 WeakPolarHBondContact O-CD2 3.21Å; Y383-F387 PolarHBondContact O-N 3Å; S384-F387 PolarHBondContact O-N 2.86Å; F387-F391 AromaticContact CD1-CD2 3.93Å; F387-F391 HydrophobicContact CD1-CD2 3.93Å; F387-F391 AromaticContact CD1-CE2 3.61Å; F387-F391 HydrophobicContact CD1-CE2 3.61Å; F387-F391 HydrophobicContact CE1-CE2 4.07Å; F387-F391 PolarHBondContact O-N 2.87Å; F387-F517 HydrophobicContact CD1-CE1 4.35Å; F387-F517 AromaticContact CD1-CZ 3.82Å; F387-F517 HydrophobicContact CD1-CZ 3.82Å; F387-F517 HydrophobicContact CE1-CE1 4.47Å; F387-F517 AromaticContact CE1-CZ 3.78Å; F387-F517 HydrophobicContact CE1-CZ 3.78Å; F387-F517 HydrophobicContact CG-CZ 4.3Å; F387-F517 HydrophobicContact CZ-CZ 4.22Å; F387-L571 HydrophobicContact CZ-CD2 4.39Å; F387-T575 HydrophobicContact CE1-CG2 3.97Å
388	Y	91.9	Very high	87.5	Confident	51 Å²	51	37.4 Å²	37.4	20%	0.2	18%	0.177	C	C	.	.	I	π-helix	trans	-60.2	-53.2	173.5	176.6	-97.8	0	0	0	112	I302 S384 L386 A390 F392 K393	I302-Y388 HydrophobicContact CB-CE1 4.27Å; I302-Y388 HydrophobicContact CD1-CD1 3.45Å; I302-Y388 VanDerWaalsContact CD1-CD1 3.45Å; I302-Y388 HydrophobicContact CD1-CD2 3.5Å; I302-Y388 HydrophobicContact CD1-CE1 3.75Å; I302-Y388 HydrophobicContact CD1-CE2 3.8Å; I302-Y388 HydrophobicContact CD1-CG 3.31Å; I302-Y388 HydrophobicContact CG1-CD1 3.62Å; I302-Y388 HydrophobicContact CG1-CD2 4.48Å; I302-Y388 HydrophobicContact CG1-CE1 3.67Å; I302-Y388 HydrophobicContact CG1-CG 4.05Å; I302-Y388 HydrophobicContact CG2-CD1 4.39Å; I302-Y388 HydrophobicContact CG2-CE1 3.57Å; I302-Y388 HydrophobicContact CG2-CE2 4.18Å; I302-Y388 VanDerWaalsContact CG2-CZ 3.44Å; I302-Y388 WeakPolarHBondContact CG2-OH 3.07Å; S384-Y388 PolarHBondContact O-N 3.37Å; L386-Y388 VanDerWaalsContact C-N 3.31Å; L386-Y388 PolarHBondContact O-N 2.86Å; Y388-A390 VanDerWaalsContact C-N 3.3Å; Y388-A390 PolarHBondContact O-N 3.47Å; Y388-F392 HydrophobicContact CD2-CB 3.73Å; Y388-F392 HydrophobicContact CE2-CB 3.98Å; Y388-F392 WeakPolarHBondContact O-CA 3.36Å; Y388-F392 PolarHBondContact O-N 2.9Å; Y388-K393 HydrophobicContact CE1-CB 4.22Å; Y388-K393 PolarHBondContact O-N 2.96Å
389	I	89.7	Confident	86.7	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.041	19%	0.185	C	C	.	.	I	π-helix	trans	-62.8	-39.6	-179.1	-62.6	166.7	0	0	0	110.8	S385 L386 C420 E423 L424 Q427	S385-I389 VanDerWaalsContact O-CG1 3.31Å; S385-I389 WeakPolarHBondContact O-CG1 3.23Å; S385-I389 PolarHBondContact O-N 2.84Å; S385-I389 VanDerWaalsContact O-N 3.16Å; L386-I389 PolarHBondContact O-N 3.25Å; I389-C420 HydrophobicContact CG2-CB 4.46Å; I389-E423 HydrophobicContact CG2-CB 4.18Å; I389-L424 HydrophobicContact CB-CD1 4.3Å; I389-L424 HydrophobicContact CG2-CB 3.85Å; I389-L424 HydrophobicContact CG2-CD1 4.39Å; I389-Q427 HydrophobicContact CD1-CB 3.82Å; I389-Q427 HydrophobicContact CD1-CG 3.84Å
390	A	91.3	Very high	85.8	Confident	6 Å²	6	38 Å²	38	5%	0.05	18%	0.182	C	C	.	.	I	π-helix	trans	-69.4	-46.3	-178.2	0	0	0	0	0	113.4	L386 Y388 L424 F517 V579 T583	L386-A390 VanDerWaalsContact O-CB 3.3Å; L386-A390 WeakPolarHBondContact O-CB 3.29Å; L386-A390 PolarHBondContact O-N 3.14Å; Y388-A390 VanDerWaalsContact C-N 3.3Å; Y388-A390 PolarHBondContact O-N 3.47Å; A390-L424 HydrophobicContact CB-CD1 4.43Å; A390-L424 HydrophobicContact CB-CD2 3.96Å; A390-F517 HydrophobicContact CB-CE1 4.33Å; A390-V579 HydrophobicContact CB-CG2 4.4Å; A390-T583 PolarHBondContact O-OG1 2.97Å
391	F	90.6	Very high	84.7	Confident	52 Å²	52	36.4 Å²	36.4	23%	0.228	18%	0.175	C	C	.	.	I	π-helix	trans	-113.9	-25.9	-165.6	-59.5	-48	0	0	0	115.3	F387 R395 T575 C578 V579	F387-F391 AromaticContact CD1-CD2 3.93Å; F387-F391 HydrophobicContact CD1-CD2 3.93Å; F387-F391 AromaticContact CD1-CE2 3.61Å; F387-F391 HydrophobicContact CD1-CE2 3.61Å; F387-F391 HydrophobicContact CE1-CE2 4.07Å; F387-F391 PolarHBondContact O-N 2.87Å; F391-R395 WeakPolarHBondContact O-CG 3.2Å; F391-T575 HydrophobicContact CE2-CG2 4.31Å; F391-T575 HydrophobicContact CZ-CG2 4.04Å; F391-C578 HydrophobicContact CD1-CB 4.35Å; F391-C578 HydrophobicContact CE1-CB 3.4Å; F391-C578 VanDerWaalsContact CE1-CB 3.4Å; F391-C578 HydrophobicContact CZ-CB 3.68Å; F391-V579 HydrophobicContact CE1-CG2 3.99Å; F391-V579 HydrophobicContact CZ-CG2 3.92Å
392	F	88.8	Confident	83.3	Confident	107 Å²	107	40.1 Å²	40.1	47%	0.469	20%	0.199	S	C	.	.	I	π-helix	trans	-109.7	-30.1	-172.4	-65.2	-75.2	0	0	0	113.3	Y388 R395 F396	Y388-F392 HydrophobicContact CD2-CB 3.73Å; Y388-F392 HydrophobicContact CE2-CB 3.98Å; Y388-F392 WeakPolarHBondContact O-CA 3.36Å; Y388-F392 PolarHBondContact O-N 2.9Å; F392-R395 PolarHBondContact O-N 2.9Å; F392-F396 HydrophobicContact CB-CE2 4.21Å; F392-F396 AromaticContact CD1-CE2 3.66Å; F392-F396 HydrophobicContact CD1-CE2 3.66Å; F392-F396 HydrophobicContact CD1-CZ 4.01Å; F392-F396 HydrophobicContact CG-CE2 4.4Å
393	K	86.4	Confident	82	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.03	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	137.3	176.9	-173.8	169.4	169.7	163.7	0	110.9	R305 Y388 R395 E413 A414 C420 E423	R305-K393 VanDerWaalsContact CZ-NZ 3.31Å; R305-K393 VanDerWaalsContact NH1-NZ 3.11Å; Y388-K393 HydrophobicContact CE1-CB 4.22Å; Y388-K393 PolarHBondContact O-N 2.96Å; K393-R395 PolarHBondContact O-N 3.48Å; K393-E413 VanDerWaalsContact CE-OE2 3.26Å; K393-E413 WeakPolarHBondContact CE-OE2 3.46Å; K393-E413 IonicContact NZ-OE2 2.7Å; K393-E413 PolarHBondContact NZ-OE2 2.99Å; K393-A414 VanDerWaalsContact CE-O 3.26Å; K393-A414 WeakPolarHBondContact CE-O 3.27Å; K393-C420 WeakPolarHBondContact CD-SG 3.27Å; K393-C420 WeakPolarHBondContact CE-SG 3.36Å; K393-C420 VanDerWaalsContact CG-SG 3.53Å; K393-E423 VanDerWaalsContact CD-OE2 3.23Å; K393-E423 WeakPolarHBondContact CD-OE2 3.48Å; K393-E423 WeakPolarHBondContact CE-OE2 3.31Å; K393-E423 IonicContact NZ-OE1 3.87Å; K393-E423 PolarHBondContact NZ-OE1 3.44Å; K393-E423 IonicContact NZ-OE2 2.7Å; K393-E423 PolarHBondContact NZ-OE2 3.49Å
394	G	79.1	Confident	80.3	Confident	26 Å²	26	52.1 Å²	52.1	27%	0.268	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-19.4	-178.9	0	0	0	0	0	115.9	E413	G394-E413 PolarHBondContact N-O 3.5Å
395	R	81.4	Confident	79	Confident	120 Å²	120	55.2 Å²	55.2	45%	0.453	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-28.9	-177.1	-63.8	-57.4	-174.1	-173.7	-2.2	114.6	F391 F392 K393 F582	F391-R395 WeakPolarHBondContact O-CG 3.2Å; F392-R395 PolarHBondContact O-N 2.9Å; K393-R395 PolarHBondContact O-N 3.48Å; R395-F582 PolarHBondContact NH2-O 2.83Å
396	F	73.5	Confident	77.8	Confident	135 Å²	135	57.4 Å²	57.4	59%	0.592	28%	0.283	S	S	*	.	S	Bend	trans	-94.7	-7.5	176.7	-60.3	-64.5	0	0	0	113.4	F392 K398	F392-F396 HydrophobicContact CB-CE2 4.21Å; F392-F396 AromaticContact CD1-CE2 3.66Å; F392-F396 HydrophobicContact CD1-CE2 3.66Å; F392-F396 HydrophobicContact CD1-CZ 4.01Å; F392-F396 HydrophobicContact CG-CE2 4.4Å; F396-K398 PolarHBondContact O-N 2.66Å; F396-K398 VanDerWaalsContact O-N 3.16Å
397	A	65	Low	76.6	Confident	26 Å²	26	60.6 Å²	60.6	22%	0.215	30%	0.3	C	S	.	.			trans	-69.4	111.9	176.7	0	0	0	0	0	108.8	A414	A397-A414 HydrophobicContact CB-CB 4.49Å
398	K	65.1	Low	75.6	Confident	111 Å²	111	65.2 Å²	65.2	48%	0.483	33%	0.326	S	S	.	.			trans	-92.8	179.1	177.9	-67.2	-178	-168.8	170.3	0	111	F396 D405 R411	F396-K398 PolarHBondContact O-N 2.66Å; F396-K398 VanDerWaalsContact O-N 3.16Å; K398-D405 WeakPolarHBondContact CD-OD2 3.42Å; K398-D405 WeakPolarHBondContact CE-OD2 3.3Å; K398-D405 IonicContact NZ-OD2 2.74Å; K398-D405 PolarHBondContact NZ-OD2 3.39Å; K398-R411 PolarHBondContact O-NH2 2.8Å
399	L	76.8	Confident	74.5	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.188	34%	0.344	C	S	.	.			trans	-41.5	139.4	-170.9	-62.8	71.6	0	0	0	113	R411 R639 Y680	L399-R411 PolarHBondContact O-NH2 3.14Å; L399-R639 VanDerWaalsContact CD1-NH1 3.26Å; L399-Y680 HydrophobicContact CD2-CD2 3.47Å; L399-Y680 VanDerWaalsContact CD2-CD2 3.47Å; L399-Y680 HydrophobicContact CD2-CE2 4.26Å; L399-Y680 HydrophobicContact CD2-CG 3.63Å
400	P	75.4	Confident	73.7	Confident	10 Å²	10	69.7 Å²	69.7	7%	0.065	36%	0.36	C	S	.	.	S	Bend	trans	-51.5	143.5	167.9	20.6	-29.5	0	0	0	110.7	C176 R411 F613 F618 Y635	C176-P400 HydrophobicContact CB-CB 3.84Å; C176-P400 HydrophobicContact CB-CG 4.2Å; P400-R411 VanDerWaalsContact CA-NH2 3.28Å; P400-F613 HydrophobicContact CB-CD1 4.04Å; P400-F613 HydrophobicContact CB-CE1 4.23Å; P400-F613 HydrophobicContact CB-CG 4.22Å; P400-F613 HydrophobicContact CG-CB 3.76Å; P400-F613 HydrophobicContact CG-CD1 3.8Å; P400-F613 HydrophobicContact CG-CD2 3.7Å; P400-F613 HydrophobicContact CG-CE1 4.32Å; P400-F613 HydrophobicContact CG-CE2 4.23Å; P400-F613 HydrophobicContact CG-CG 3.47Å; P400-F613 VanDerWaalsContact CG-CG 3.47Å; P400-F613 WeakPolarHBondContact O-CE2 3.03Å; P400-F613 WeakPolarHBondContact O-CZ 3.37Å; P400-F618 HydrophobicContact CB-CE2 4.29Å; P400-F618 HydrophobicContact CB-CZ 3.95Å; P400-Y635 HydrophobicContact CG-CD1 3.67Å; P400-Y635 HydrophobicContact CG-CD2 4.29Å; P400-Y635 HydrophobicContact CG-CE1 4.04Å; P400-Y635 HydrophobicContact CG-CG 3.81Å
401	G	70.4	Confident	72.9	Confident	3 Å²	3	70.5 Å²	70.5	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	120.1	169.3	-179.3	0	0	0	0	0	114	T403 R411	G401-T403 PolarHBondContact O-N 3.07Å; G401-R411 PolarHBondContact O-NH1 2.91Å
402	P	64.8	Low	72.2	Confident	81 Å²	81	69 Å²	69	53%	0.526	36%	0.357	S	S	.	.			trans	-67.8	98.7	-178.2	27.1	-33	0	0	0	109.9
403	T	64	Low	71.6	Confident	47 Å²	47	64.6 Å²	64.6	29%	0.288	34%	0.338	S	S	.	.			trans	-107.6	151.9	178.2	56.6	0	0	0	0	110.3	G401 D405	G401-T403 PolarHBondContact O-N 3.07Å; T403-D405 PolarHBondContact O-N 3.39Å
404	K	60.1	Low	71.2	Confident	205 Å²	205	65.8 Å²	65.8	89%	0.891	35%	0.349	S	S	*	.	S	Bend	trans	-73.8	-6.6	172.9	-68.2	-175	178.9	-179.9	0	112.7	T406	K404-T406 PolarHBondContact O-N 2.97Å
405	D	64.9	Low	71.4	Confident	79 Å²	79	65.9 Å²	65.9	42%	0.422	35%	0.345	S	S	.	.			trans	-88.6	51.6	-172.7	-63.7	-7.7	0	0	0	110.6	K398 T403	K398-D405 WeakPolarHBondContact CD-OD2 3.42Å; K398-D405 WeakPolarHBondContact CE-OD2 3.3Å; K398-D405 IonicContact NZ-OD2 2.74Å; K398-D405 PolarHBondContact NZ-OD2 3.39Å; T403-D405 PolarHBondContact O-N 3.39Å
406	T	68.1	Low	71.4	Confident	53 Å²	53	60.8 Å²	60.8	33%	0.325	33%	0.327	S	S	.	.			trans	-93.7	135.9	174.4	56.7	0	0	0	0	110	K404 Y410	K404-T406 PolarHBondContact O-N 2.97Å; T406-Y410 CarbonylContact C-O 3.59Å; T406-Y410 WeakPolarHBondContact CA-O 3.43Å; T406-Y410 WeakPolarHBondContact CB-O 3.36Å
407	I	68.3	Low	71.5	Confident	68 Å²	68	55.2 Å²	55.2	35%	0.349	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-89.5	111.9	171.4	-61.6	172.3	0	0	0	106.2	F299 L303 G409 Y410 P412	F299-I407 HydrophobicContact CZ-CG2 4.24Å; L303-I407 HydrophobicContact CD2-CG2 4.08Å; I407-G409 PolarHBondContact O-N 3.01Å; I407-G409 VanDerWaalsContact O-N 3.16Å; I407-Y410 PolarHBondContact N-O 3.47Å; I407-Y410 PolarHBondContact O-N 3.34Å; I407-P412 HydrophobicContact CD1-CB 4.36Å; I407-P412 HydrophobicContact CD1-CG 3.99Å; I407-P412 HydrophobicContact CG1-CG 4.24Å
408	L	71.1	Confident	72.1	Confident	138 Å²	138	54.5 Å²	54.5	72%	0.723	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.5	-177	-76.1	131.3	0	0	0	113.7	L303 Y410	L303-L408 HydrophobicContact CD1-CD1 3.96Å; L303-L408 HydrophobicContact CD2-CD1 4.19Å; L408-Y410 VanDerWaalsContact C-N 3.29Å; L408-Y410 WeakPolarHBondContact O-CD2 3.45Å; L408-Y410 PolarHBondContact O-N 3.43Å
409	G	69.9	Low	72.9	Confident	56 Å²	56	49.7 Å²	49.7	58%	0.577	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-0.7	-177.7	0	0	0	0	0	115	I407	I407-G409 PolarHBondContact O-N 3.01Å; I407-G409 VanDerWaalsContact O-N 3.16Å
410	Y	72.7	Confident	73.3	Confident	98 Å²	98	48.1 Å²	48.1	38%	0.384	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-104	147.7	173.4	-62.6	-82.8	0	0	0	111.3	I306 I307 H310 T406 I407 L408	I306-Y410 HydrophobicContact CG2-CG 4.41Å; I307-Y410 HydrophobicContact CG1-CD2 4.49Å; I307-Y410 HydrophobicContact CG1-CE1 4.47Å; I307-Y410 HydrophobicContact CG1-CE2 4.16Å; H310-Y410 AromaticContact CD2-CD1 3.8Å; T406-Y410 CarbonylContact C-O 3.59Å; T406-Y410 WeakPolarHBondContact CA-O 3.43Å; T406-Y410 WeakPolarHBondContact CB-O 3.36Å; I407-Y410 PolarHBondContact N-O 3.47Å; I407-Y410 PolarHBondContact O-N 3.34Å; L408-Y410 VanDerWaalsContact C-N 3.29Å; L408-Y410 WeakPolarHBondContact O-CD2 3.45Å; L408-Y410 PolarHBondContact O-N 3.43Å
411	R	74.1	Confident	73.9	Confident	23 Å²	23	47.8 Å²	47.8	9%	0.087	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-73.4	136.3	176.2	-169.6	179.8	-177.8	96.9	13	109.4	N178 D180 K398 L399 P400 G401	N178-R411 WeakPolarHBondContact O-CD 3.42Å; D180-R411 IonicContact OD1-NH1 3.45Å; D180-R411 PolarHBondContact OD1-NH1 3.46Å; K398-R411 PolarHBondContact O-NH2 2.8Å; L399-R411 PolarHBondContact O-NH2 3.14Å; P400-R411 VanDerWaalsContact CA-NH2 3.28Å; G401-R411 PolarHBondContact O-NH1 2.91Å
412	P	76.2	Confident	74.7	Confident	20 Å²	20	48.4 Å²	48.4	13%	0.13	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-56.5	142.4	173	-23.4	32.6	0	0	0	111.8	I407 A414	I407-P412 HydrophobicContact CD1-CB 4.36Å; I407-P412 HydrophobicContact CD1-CG 3.99Å; I407-P412 HydrophobicContact CG1-CG 4.24Å; P412-A414 PolarHBondContact O-N 3.47Å
413	E	76.5	Confident	75.8	Confident	15 Å²	15	44.8 Å²	44.8	7%	0.07	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.1	123.5	-178.2	-119.2	178	-140.2	0	0	112	R305 I306 K393 G394	R305-E413 VanDerWaalsContact C-OE1 3.32Å; R305-E413 WeakPolarHBondContact CB-OE1 3.33Å; R305-E413 VanDerWaalsContact CD-OE1 3.23Å; R305-E413 WeakPolarHBondContact CD-OE1 3.37Å; R305-E413 WeakPolarHBondContact CD-OE2 3.48Å; R305-E413 WeakPolarHBondContact CG-OE1 3.48Å; R305-E413 IonicContact CZ-OE2 3.71Å; R305-E413 IonicContact NE-OE1 2.75Å; R305-E413 IonicContact NE-OE2 3.1Å; R305-E413 IonicContact NH1-OE2 3.79Å; R305-E413 PolarHBondContact NH1-OE2 3.29Å; I306-E413 HydrophobicContact CG1-CB 4.1Å; I306-E413 HydrophobicContact CG1-CG 3.84Å; I306-E413 PolarHBondContact N-OE1 2.89Å; K393-E413 VanDerWaalsContact CE-OE2 3.26Å; K393-E413 WeakPolarHBondContact CE-OE2 3.46Å; K393-E413 IonicContact NZ-OE2 2.7Å; K393-E413 PolarHBondContact NZ-OE2 2.99Å; G394-E413 PolarHBondContact N-O 3.5Å
414	A	78.2	Confident	77.2	Confident	32 Å²	32	42.5 Å²	42.5	26%	0.264	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-83.3	156.6	169.2	0	0	0	0	0	111	K393 A397 P412	K393-A414 VanDerWaalsContact CE-O 3.26Å; K393-A414 WeakPolarHBondContact CE-O 3.27Å; A397-A414 HydrophobicContact CB-CB 4.49Å; P412-A414 PolarHBondContact O-N 3.47Å
415	C	82.9	Confident	78.7	Confident	27 Å²	27	33.8 Å²	33.8	18%	0.182	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-79.6	159.3	165.8	-66.8	0	0	0	0	110.1	C420	C415-C420 VanDerWaalsContact CA-SG 3.51Å; C415-C420 HydrophobicContact CB-CB 4.17Å; C415-C420 WeakPolarHBondContact CB-SG 3.44Å; C415-C420 WeakPolarHBondContact SG-CB 3.37Å; C415-C420 CovalentContact SG-SG 2.03Å; C415-C420 PolarHBondContact SG-SG 2.91Å
416	D	80.8	Confident	80	Confident	13 Å²	13	31.1 Å²	31.1	7%	0.07	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-61.7	150.9	160.7	-174.5	-88	0	0	0	108.7	S191 Y194 N418 G419	S191-D416 PolarHBondContact OG-OD2 2.93Å; Y194-D416 HydrophobicContact CD1-CB 3.94Å; Y194-D416 VanDerWaalsContact CD1-OD1 3.32Å; Y194-D416 WeakPolarHBondContact CD1-OD1 3.35Å; Y194-D416 HydrophobicContact CE1-CB 3.52Å; D416-N418 PolarHBondContact O-N 3.23Å; D416-N418 PolarHBondContact OD1-N 3.46Å; D416-N418 VanDerWaalsContact OD1-N 3.12Å; D416-N418 PolarHBondContact OD1-ND2 2.92Å; D416-G419 WeakPolarHBondContact O-CA 3.11Å; D416-G419 PolarHBondContact O-N 2.7Å
417	P	76.8	Confident	81.2	Confident	18 Å²	18	29.1 Å²	29.1	12%	0.117	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.4	179.9	-28.6	37.6	0	0	0	115.4	M175 W186 L188 G419 E636	M175-P417 HydrophobicContact CE-CB 4.23Å; M175-P417 HydrophobicContact CE-CG 3.39Å; W186-P417 HydrophobicContact CH2-CG 3.77Å; W186-P417 HydrophobicContact CZ2-CG 4.23Å; L188-P417 HydrophobicContact CD1-CB 3.98Å; L188-P417 HydrophobicContact CD1-CG 3.84Å; P417-G419 VanDerWaalsContact C-N 3.32Å; P417-E636 WeakPolarHBondContact CA-OE2 3.24Å
418	N	77.1	Confident	82.3	Confident	11 Å²	11	25.9 Å²	25.9	6%	0.059	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	6.8	173.3	-57.8	-68.4	0	0	0	113.2	I165 Y194 T198 D416	I165-N418 WeakPolarHBondContact CD1-OD1 3.15Å; Y194-N418 HydrophobicContact CD1-CB 4.21Å; Y194-N418 HydrophobicContact CE1-CB 4.3Å; T198-N418 HydrophobicContact CG2-CB 4.49Å; D416-N418 PolarHBondContact O-N 3.23Å; D416-N418 PolarHBondContact OD1-N 3.46Å; D416-N418 VanDerWaalsContact OD1-N 3.12Å; D416-N418 PolarHBondContact OD1-ND2 2.92Å
419	G	81.2	Confident	83.3	Confident	10 Å²	10	20.5 Å²	20.5	10%	0.103	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	94.4	176.7	-179.6	0	0	0	0	0	115.2	Y194 D416 P417	Y194-G419 WeakPolarHBondContact CE1-O 3.07Å; Y194-G419 PolarHBondContact OH-O 3.38Å; D416-G419 WeakPolarHBondContact O-CA 3.11Å; D416-G419 PolarHBondContact O-N 2.7Å; P417-G419 VanDerWaalsContact C-N 3.32Å
420	C	86.6	Confident	84.4	Confident	3 Å²	3	19.6 Å²	19.6	2%	0.02	11%	0.11	C	C	.	.	S	Bend	trans	-92.6	11	-178.2	-84.1	0	0	0	0	114	I389 K393 C415 E423 L424	I389-C420 HydrophobicContact CG2-CB 4.46Å; K393-C420 WeakPolarHBondContact CD-SG 3.27Å; K393-C420 WeakPolarHBondContact CE-SG 3.36Å; K393-C420 VanDerWaalsContact CG-SG 3.53Å; C415-C420 VanDerWaalsContact CA-SG 3.51Å; C415-C420 HydrophobicContact CB-CB 4.17Å; C415-C420 WeakPolarHBondContact CB-SG 3.44Å; C415-C420 WeakPolarHBondContact SG-CB 3.37Å; C415-C420 CovalentContact SG-SG 2.03Å; C415-C420 PolarHBondContact SG-SG 2.91Å; C420-E423 PolarHBondContact O-N 3.46Å; C420-L424 PolarHBondContact O-N 3.27Å; C420-L424 VanDerWaalsContact O-N 3.11Å
421	M	86.9	Confident	85.3	Confident	4 Å²	4	15 Å²	15	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-43.7	-170.7	-161.6	-86.4	-162	0	0	112.7	F201 D202 E423 L424 L425 A519 A520	F201-M421 HydrophobicContact CB-CE 3.72Å; F201-M421 HydrophobicContact CB-SD 3.98Å; F201-M421 VanDerWaalsContact O-CE 3.25Å; F201-M421 WeakPolarHBondContact O-CE 3.33Å; D202-M421 HydrophobicContact CB-CE 3.76Å; D202-M421 HydrophobicContact CB-CG 4.39Å; D202-M421 HydrophobicContact CB-SD 4.29Å; M421-E423 VanDerWaalsContact C-N 3.33Å; M421-E423 PolarHBondContact O-N 3.24Å; M421-L424 WeakPolarHBondContact O-CB 3.35Å; M421-L424 PolarHBondContact O-N 3.26Å; M421-L425 PolarHBondContact O-N 2.92Å; M421-A519 WeakPolarHBondContact CE-O 3.39Å; M421-A520 WeakPolarHBondContact CE-O 3.33Å
422	V	87.8	Confident	86	Confident	15 Å²	15	14 Å²	14	9%	0.091	9%	0.088	C	C	.	.	H	α-helix	trans	-65.1	-37	177.9	175.4	0	0	0	0	111.6	Y194 A197 T198 L425 I426	Y194-V422 HydrophobicContact CD2-CB 4.32Å; Y194-V422 HydrophobicContact CD2-CG1 4.26Å; Y194-V422 HydrophobicContact CE1-CB 4.32Å; Y194-V422 HydrophobicContact CE1-CG2 4.23Å; Y194-V422 HydrophobicContact CE2-CB 3.63Å; Y194-V422 HydrophobicContact CE2-CG1 3.84Å; Y194-V422 HydrophobicContact CE2-CG2 4.22Å; A197-V422 HydrophobicContact CB-CG2 4.19Å; T198-V422 VanDerWaalsContact OG1-CG2 3.26Å; T198-V422 WeakPolarHBondContact OG1-CG2 3.43Å; V422-L425 WeakPolarHBondContact O-CB 3.37Å; V422-L425 PolarHBondContact O-N 3.05Å; V422-I426 HydrophobicContact CG1-CD1 3.99Å; V422-I426 HydrophobicContact CG1-CG1 4.43Å; V422-I426 VanDerWaalsContact O-CG1 3.32Å; V422-I426 WeakPolarHBondContact O-CG1 3.16Å; V422-I426 PolarHBondContact O-N 3.39Å
423	E	88.8	Confident	86.7	Confident	5 Å²	5	15.5 Å²	15.5	2%	0.023	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-42.2	176	-57.3	-179.1	161.5	0	0	112	R305 I389 K393 C420 M421 L425 I426 Q427	R305-E423 IonicContact CZ-OE2 3.07Å; R305-E423 IonicContact NH1-OE2 2.62Å; R305-E423 PolarHBondContact NH1-OE2 3.01Å; R305-E423 IonicContact NH2-OE1 2.61Å; R305-E423 PolarHBondContact NH2-OE1 2.9Å; R305-E423 IonicContact NH2-OE2 3.61Å; R305-E423 PolarHBondContact NH2-OE2 3.47Å; I389-E423 HydrophobicContact CG2-CB 4.18Å; K393-E423 VanDerWaalsContact CD-OE2 3.23Å; K393-E423 WeakPolarHBondContact CD-OE2 3.48Å; K393-E423 WeakPolarHBondContact CE-OE2 3.31Å; K393-E423 IonicContact NZ-OE1 3.87Å; K393-E423 PolarHBondContact NZ-OE1 3.44Å; K393-E423 IonicContact NZ-OE2 2.7Å; K393-E423 PolarHBondContact NZ-OE2 3.49Å; C420-E423 PolarHBondContact O-N 3.46Å; M421-E423 VanDerWaalsContact C-N 3.33Å; M421-E423 PolarHBondContact O-N 3.24Å; E423-L425 VanDerWaalsContact C-N 3.29Å; E423-L425 PolarHBondContact O-N 3.04Å; E423-I426 PolarHBondContact O-N 3.31Å; E423-Q427 WeakPolarHBondContact O-CB 3.47Å; E423-Q427 PolarHBondContact O-N 3.36Å
424	L	91.5	Very high	87.2	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-41.3	174	-179.5	61.2	0	0	0	110.8	L386 I389 A390 C420 M421 Q427 L428 F517 A520	L386-L424 HydrophobicContact CB-CD1 4.06Å; L386-L424 HydrophobicContact CD2-CD1 3.75Å; I389-L424 HydrophobicContact CB-CD1 4.3Å; I389-L424 HydrophobicContact CG2-CB 3.85Å; I389-L424 HydrophobicContact CG2-CD1 4.39Å; A390-L424 HydrophobicContact CB-CD1 4.43Å; A390-L424 HydrophobicContact CB-CD2 3.96Å; C420-L424 PolarHBondContact O-N 3.27Å; C420-L424 VanDerWaalsContact O-N 3.11Å; M421-L424 WeakPolarHBondContact O-CB 3.35Å; M421-L424 PolarHBondContact O-N 3.26Å; L424-Q427 PolarHBondContact O-N 3.03Å; L424-L428 VanDerWaalsContact O-CB 3.3Å; L424-L428 WeakPolarHBondContact O-CB 3.28Å; L424-L428 PolarHBondContact O-N 2.67Å; L424-F517 HydrophobicContact CD1-CD1 4.29Å; L424-F517 HydrophobicContact CD1-CE1 4.43Å; L424-F517 HydrophobicContact CD2-CD1 4.27Å; L424-A520 HydrophobicContact CD2-CB 3.59Å; L424-A520 HydrophobicContact CG-CB 4.01Å
425	L	92.4	Very high	87.5	Confident	21 Å²	21	14.7 Å²	14.7	11%	0.11	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-46.3	175.4	178.7	153	0	0	0	111.9	F201 M421 V422 E423 L428 A429 F521	F201-L425 HydrophobicContact CB-CD1 4Å; F201-L425 HydrophobicContact CD1-CD1 3.76Å; F201-L425 HydrophobicContact CD2-CD1 3.25Å; F201-L425 HydrophobicContact CE1-CD1 3.99Å; F201-L425 HydrophobicContact CE2-CD1 3.51Å; F201-L425 HydrophobicContact CE2-CD2 4.47Å; F201-L425 HydrophobicContact CG-CD1 3.39Å; F201-L425 HydrophobicContact CZ-CD1 3.87Å; M421-L425 PolarHBondContact O-N 2.92Å; V422-L425 WeakPolarHBondContact O-CB 3.37Å; V422-L425 PolarHBondContact O-N 3.05Å; E423-L425 VanDerWaalsContact C-N 3.29Å; E423-L425 PolarHBondContact O-N 3.04Å; L425-L428 PolarHBondContact O-N 2.95Å; L425-A429 VanDerWaalsContact O-CB 3.25Å; L425-A429 WeakPolarHBondContact O-CB 3.16Å; L425-A429 PolarHBondContact O-N 3.35Å; L425-F521 HydrophobicContact CD1-CD2 3.77Å; L425-F521 HydrophobicContact CD1-CE2 4.37Å; L425-F521 HydrophobicContact CG-CD2 3.9Å; L425-F521 HydrophobicContact CG-CE2 4.4Å
426	I	91.5	Very high	87.6	Confident	24 Å²	24	14.5 Å²	14.5	12%	0.123	9%	0.089	C	C	.	.	H	α-helix	trans	-61.3	-46.6	178	-70.3	166.8	0	0	0	110.3	M326 I330 V422 E423 L428 A429 I430	M326-I426 HydrophobicContact CG-CD1 4.38Å; I330-I426 HydrophobicContact CG1-CG2 3.87Å; V422-I426 HydrophobicContact CG1-CD1 3.99Å; V422-I426 HydrophobicContact CG1-CG1 4.43Å; V422-I426 VanDerWaalsContact O-CG1 3.32Å; V422-I426 WeakPolarHBondContact O-CG1 3.16Å; V422-I426 PolarHBondContact O-N 3.39Å; E423-I426 PolarHBondContact O-N 3.31Å; I426-L428 PolarHBondContact O-N 3.2Å; I426-A429 PolarHBondContact O-N 2.99Å; I426-I430 HydrophobicContact CG2-CD1 3.68Å; I426-I430 WeakPolarHBondContact O-CB 3.42Å; I426-I430 WeakPolarHBondContact O-CG1 3.39Å; I426-I430 PolarHBondContact O-N 3.47Å
427	Q	93.2	Very high	87.9	Confident	11 Å²	11	20.3 Å²	20.3	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-47.1	177.6	-172.9	75.6	3.2	0	0	111.1	N336 S385 L386 I389 E423 L424 I431	N336-Q427 PolarHBondContact ND2-NE2 3.39Å; N336-Q427 VanDerWaalsContact ND2-NE2 3.13Å; S385-Q427 PolarHBondContact OG-NE2 3.39Å; L386-Q427 HydrophobicContact CD2-CB 3.83Å; L386-Q427 HydrophobicContact CD2-CG 3.5Å; L386-Q427 HydrophobicContact CG-CG 4.38Å; I389-Q427 HydrophobicContact CD1-CB 3.82Å; I389-Q427 HydrophobicContact CD1-CG 3.84Å; E423-Q427 WeakPolarHBondContact O-CB 3.47Å; E423-Q427 PolarHBondContact O-N 3.36Å; L424-Q427 PolarHBondContact O-N 3.03Å; Q427-I431 HydrophobicContact CG-CD1 3.88Å; Q427-I431 WeakPolarHBondContact O-CB 3.35Å; Q427-I431 VanDerWaalsContact O-CG1 3.27Å; Q427-I431 WeakPolarHBondContact O-CG1 3.32Å; Q427-I431 PolarHBondContact O-N 3.03Å
428	L	92.9	Very high	88.3	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-44.4	179.5	-176.1	70.1	0	0	0	111.4	L386 L424 L425 I426 I431 M432 F513 F517 F521	L386-L428 HydrophobicContact CD1-CD1 3.84Å; L386-L428 HydrophobicContact CD2-CB 4.1Å; L386-L428 HydrophobicContact CD2-CD1 4.45Å; L424-L428 VanDerWaalsContact O-CB 3.3Å; L424-L428 WeakPolarHBondContact O-CB 3.28Å; L424-L428 PolarHBondContact O-N 2.67Å; L425-L428 PolarHBondContact O-N 2.95Å; I426-L428 PolarHBondContact O-N 3.2Å; L428-I431 PolarHBondContact O-N 2.85Å; L428-M432 WeakPolarHBondContact O-CB 3.46Å; L428-M432 PolarHBondContact O-N 3.06Å; L428-F513 HydrophobicContact CD1-CB 4.24Å; L428-F513 HydrophobicContact CD1-CD1 3.53Å; L428-F513 HydrophobicContact CD1-CE1 4.31Å; L428-F513 HydrophobicContact CD1-CG 4.24Å; L428-F517 HydrophobicContact CD1-CB 4.42Å; L428-F517 HydrophobicContact CD2-CB 4Å; L428-F521 HydrophobicContact CD2-CB 3.54Å; L428-F521 HydrophobicContact CD2-CD1 3.9Å; L428-F521 HydrophobicContact CD2-CG 4.15Å
429	A	91.9	Very high	88.4	Confident	25 Å²	25	21.7 Å²	21.7	21%	0.207	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-46.6	179.4	0	0	0	0	0	111.4	L425 I426 V433	L425-A429 VanDerWaalsContact O-CB 3.25Å; L425-A429 WeakPolarHBondContact O-CB 3.16Å; L425-A429 PolarHBondContact O-N 3.35Å; I426-A429 PolarHBondContact O-N 2.99Å; A429-V433 WeakPolarHBondContact O-CA 3.45Å; A429-V433 WeakPolarHBondContact O-CB 3.35Å; A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 2.99Å
430	I	92.7	Very high	88.6	Confident	37 Å²	37	22.2 Å²	22.2	19%	0.19	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-43.8	178.9	-69	169.4	0	0	0	110.8	I330 A333 I334 L337 I426 G434	I330-I430 HydrophobicContact CG2-CD1 4.24Å; A333-I430 HydrophobicContact CB-CB 4.02Å; A333-I430 HydrophobicContact CB-CD1 3.5Å; A333-I430 HydrophobicContact CB-CG1 4.34Å; A333-I430 HydrophobicContact CB-CG2 3.97Å; I334-I430 HydrophobicContact CG1-CG2 4.25Å; L337-I430 HydrophobicContact CD2-CG2 4.36Å; I426-I430 HydrophobicContact CG2-CD1 3.68Å; I426-I430 WeakPolarHBondContact O-CB 3.42Å; I426-I430 WeakPolarHBondContact O-CG1 3.39Å; I426-I430 PolarHBondContact O-N 3.47Å; I430-G434 WeakPolarHBondContact O-CA 3.41Å; I430-G434 PolarHBondContact O-N 3.36Å
431	I	90.8	Very high	88.6	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-67.3	-49.4	178.7	-69.1	175	0	0	0	111.1	Y382 Q427 L428 K435 F513	Y382-I431 HydrophobicContact CD1-CG2 3.66Å; Y382-I431 HydrophobicContact CE1-CG2 4.2Å; Q427-I431 HydrophobicContact CG-CD1 3.88Å; Q427-I431 WeakPolarHBondContact O-CB 3.35Å; Q427-I431 VanDerWaalsContact O-CG1 3.27Å; Q427-I431 WeakPolarHBondContact O-CG1 3.32Å; Q427-I431 PolarHBondContact O-N 3.03Å; L428-I431 PolarHBondContact O-N 2.85Å; I431-K435 WeakPolarHBondContact O-CB 3.33Å; I431-K435 PolarHBondContact O-N 3.29Å; I431-K435 VanDerWaalsContact O-N 3.1Å; I431-F513 HydrophobicContact CG2-CE1 3.91Å; I431-F513 HydrophobicContact CG2-CE2 4.48Å; I431-F513 HydrophobicContact CG2-CZ 3.6Å
432	M	89.9	Confident	88.4	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-71	-55.4	-174.4	-178.6	178.5	173.9	0	0	111.6	L428 Q436 F513 V514 A524 F527 A528	L428-M432 WeakPolarHBondContact O-CB 3.46Å; L428-M432 PolarHBondContact O-N 3.06Å; M432-Q436 WeakPolarHBondContact O-CB 3.48Å; M432-Q436 VanDerWaalsContact O-CD 3.27Å; M432-Q436 WeakPolarHBondContact O-CG 3.45Å; M432-Q436 PolarHBondContact O-N 3.47Å; M432-Q436 PolarHBondContact O-NE2 3.47Å; M432-F513 HydrophobicContact CG-CB 4.41Å; M432-F513 HydrophobicContact CG-CD2 4.38Å; M432-F513 HydrophobicContact SD-CB 3.98Å; M432-V514 HydrophobicContact CE-CG2 4Å; M432-A524 HydrophobicContact CE-CB 4.45Å; M432-A524 VanDerWaalsContact CE-O 3.23Å; M432-A524 WeakPolarHBondContact CE-O 3.28Å; M432-A524 HydrophobicContact SD-CB 4.22Å; M432-F527 HydrophobicContact CE-CB 4.33Å; M432-A528 HydrophobicContact CE-CB 3.72Å
433	V	89.6	Confident	87.8	Confident	52 Å²	52	28 Å²	28	32%	0.315	15%	0.151	S	C	.	.	H	α-helix	trans	-73.9	-42.5	-177.2	-176.3	0	0	0	0	110.3	A429 Q436 F437 F527	A429-V433 WeakPolarHBondContact O-CA 3.45Å; A429-V433 WeakPolarHBondContact O-CB 3.35Å; A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 2.99Å; V433-Q436 PolarHBondContact O-N 2.89Å; V433-F437 VanDerWaalsContact O-CB 3.27Å; V433-F437 WeakPolarHBondContact O-CB 3.44Å; V433-F437 PolarHBondContact O-N 3.09Å; V433-F527 HydrophobicContact CG2-CB 4.46Å; V433-F527 HydrophobicContact CG2-CD1 4.05Å; V433-F527 HydrophobicContact CG2-CE1 4.48Å; V433-F527 HydrophobicContact CG2-CG 4.12Å
434	G	88.3	Confident	87.5	Confident	20 Å²	20	30.7 Å²	30.7	21%	0.206	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-46.1	179.6	0	0	0	0	0	112.3	I430 F437 V438	I430-G434 WeakPolarHBondContact O-CA 3.41Å; I430-G434 PolarHBondContact O-N 3.36Å; G434-F437 PolarHBondContact O-N 3.46Å; G434-V438 WeakPolarHBondContact O-CB 3.49Å; G434-V438 VanDerWaalsContact O-CG2 3.26Å; G434-V438 WeakPolarHBondContact O-CG2 3.38Å; G434-V438 PolarHBondContact O-N 3.36Å
435	K	84.6	Confident	87.3	Confident	10 Å²	10	34 Å²	34	4%	0.043	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-48.4	175	179.9	-173.6	179.7	173.1	0	111.8	L337 Y382 I431 F437 V438 N439	L337-K435 HydrophobicContact CD1-CB 4.09Å; Y382-K435 HydrophobicContact CE1-CD 3.63Å; Y382-K435 WeakPolarHBondContact OH-CD 3.44Å; Y382-K435 WeakPolarHBondContact OH-CE 3.38Å; Y382-K435 PolarHBondContact OH-NZ 3.48Å; I431-K435 WeakPolarHBondContact O-CB 3.33Å; I431-K435 PolarHBondContact O-N 3.29Å; I431-K435 VanDerWaalsContact O-N 3.1Å; K435-F437 VanDerWaalsContact C-N 3.32Å; K435-F437 PolarHBondContact O-N 2.99Å; K435-V438 PolarHBondContact O-N 3.07Å; K435-N439 VanDerWaalsContact O-CB 3.23Å; K435-N439 WeakPolarHBondContact O-CB 3.28Å; K435-N439 PolarHBondContact O-N 2.96Å; K435-N439 PolarHBondContact O-OD1 3.28Å
436	Q	84.8	Confident	86.7	Confident	24 Å²	24	34.4 Å²	34.4	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-45.9	-179.6	-75.6	168.9	21.4	0	0	111	M432 V433 V438 N439 N440 N531	M432-Q436 WeakPolarHBondContact O-CB 3.48Å; M432-Q436 VanDerWaalsContact O-CD 3.27Å; M432-Q436 WeakPolarHBondContact O-CG 3.45Å; M432-Q436 PolarHBondContact O-N 3.47Å; M432-Q436 PolarHBondContact O-NE2 3.47Å; V433-Q436 PolarHBondContact O-N 2.89Å; Q436-V438 PolarHBondContact O-N 3.16Å; Q436-N439 PolarHBondContact O-N 3.25Å; Q436-N440 WeakPolarHBondContact O-CB 3.37Å; Q436-N440 PolarHBondContact O-N 2.87Å; Q436-N440 PolarHBondContact O-ND2 3.39Å; Q436-N440 PolarHBondContact O-OD1 3.05Å; Q436-N531 HydrophobicContact CG-CB 4.42Å
437	F	86.2	Confident	86.2	Confident	134 Å²	134	33.6 Å²	33.6	59%	0.588	19%	0.186	S	C	*	.	H	α-helix	trans	-59.9	-49.1	177.5	-178	-104	0	0	0	112.6	V433 G434 K435 N440 I441	V433-F437 VanDerWaalsContact O-CB 3.27Å; V433-F437 WeakPolarHBondContact O-CB 3.44Å; V433-F437 PolarHBondContact O-N 3.09Å; G434-F437 PolarHBondContact O-N 3.46Å; K435-F437 VanDerWaalsContact C-N 3.32Å; K435-F437 PolarHBondContact O-N 2.99Å; F437-N440 PolarHBondContact O-N 2.86Å; F437-I441 HydrophobicContact CD1-CD1 3.79Å; F437-I441 HydrophobicContact CD2-CD1 4.46Å; F437-I441 HydrophobicContact CE1-CD1 3.3Å; F437-I441 HydrophobicContact CE2-CD1 4.04Å; F437-I441 HydrophobicContact CG-CD1 4.35Å; F437-I441 HydrophobicContact CZ-CD1 3.47Å; F437-I441 VanDerWaalsContact CZ-CD1 3.47Å; F437-I441 WeakPolarHBondContact O-CG1 3.42Å; F437-I441 PolarHBondContact O-N 3.31Å; F437-I441 VanDerWaalsContact O-N 3.08Å
438	V	85.9	Confident	85.8	Confident	44 Å²	44	36.2 Å²	36.2	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-66	-41.6	-179.5	176.2	0	0	0	0	111.3	M341 G434 K435 Q436 I441 I442	M341-V438 HydrophobicContact CE-CB 4.3Å; M341-V438 HydrophobicContact CE-CG1 3.43Å; M341-V438 VanDerWaalsContact CE-CG1 3.43Å; M341-V438 HydrophobicContact SD-CG1 4.2Å; G434-V438 WeakPolarHBondContact O-CB 3.49Å; G434-V438 VanDerWaalsContact O-CG2 3.26Å; G434-V438 WeakPolarHBondContact O-CG2 3.38Å; G434-V438 PolarHBondContact O-N 3.36Å; K435-V438 PolarHBondContact O-N 3.07Å; Q436-V438 PolarHBondContact O-N 3.16Å; V438-I441 PolarHBondContact O-N 2.75Å; V438-I442 HydrophobicContact CG1-CD1 3.52Å; V438-I442 WeakPolarHBondContact O-CD1 3.38Å; V438-I442 VanDerWaalsContact O-CG1 3.29Å; V438-I442 WeakPolarHBondContact O-CG1 3.39Å; V438-I442 PolarHBondContact O-N 2.86Å
439	N	80.1	Confident	85.5	Confident	15 Å²	15	41 Å²	41	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-50.7	176.2	-74.8	-1.7	0	0	0	111.4	K435 Q436 I441 I442 E443 F482	K435-N439 VanDerWaalsContact O-CB 3.23Å; K435-N439 WeakPolarHBondContact O-CB 3.28Å; K435-N439 PolarHBondContact O-N 2.96Å; K435-N439 PolarHBondContact O-OD1 3.28Å; Q436-N439 PolarHBondContact O-N 3.25Å; N439-I441 VanDerWaalsContact C-N 3.28Å; N439-I441 PolarHBondContact O-N 3.24Å; N439-I442 PolarHBondContact O-N 3.37Å; N439-I442 VanDerWaalsContact O-N 3.13Å; N439-E443 WeakPolarHBondContact O-CB 3.27Å; N439-E443 PolarHBondContact O-N 3.39Å; N439-F482 VanDerWaalsContact ND2-CE2 3.32Å; N439-F482 WeakPolarHBondContact ND2-CE2 3.5Å; N439-F482 WeakPolarHBondContact ND2-CZ 3.48Å; N439-F482 WeakPolarHBondContact OD1-CE2 3.35Å; N439-F482 WeakPolarHBondContact OD1-CZ 3.47Å
440	N	83.8	Confident	85.1	Confident	20 Å²	20	41.3 Å²	41.3	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-40.5	-179.4	-65.5	-3.2	0	0	0	111.4	Q436 F437 I444 N531 E535	Q436-N440 WeakPolarHBondContact O-CB 3.37Å; Q436-N440 PolarHBondContact O-N 2.87Å; Q436-N440 PolarHBondContact O-ND2 3.39Å; Q436-N440 PolarHBondContact O-OD1 3.05Å; F437-N440 PolarHBondContact O-N 2.86Å; N440-I444 WeakPolarHBondContact O-CB 3.5Å; N440-I444 WeakPolarHBondContact O-CD1 3.4Å; N440-I444 VanDerWaalsContact O-CG1 3.24Å; N440-I444 WeakPolarHBondContact O-CG1 3.28Å; N440-I444 PolarHBondContact O-N 3.09Å; N440-I444 VanDerWaalsContact O-N 3.08Å; N440-N531 PolarHBondContact ND2-OD1 3.15Å; N440-E535 PolarHBondContact OD1-OE2 3.43Å
441	I	86.5	Confident	84.6	Confident	74 Å²	74	40.1 Å²	40.1	38%	0.379	22%	0.217	S	C	.	.	H	α-helix	trans	-60.5	-51.8	175	-73.3	172.4	0	0	0	110.7	F437 V438 N439 E443 I444 C445	F437-I441 HydrophobicContact CD1-CD1 3.79Å; F437-I441 HydrophobicContact CD2-CD1 4.46Å; F437-I441 HydrophobicContact CE1-CD1 3.3Å; F437-I441 HydrophobicContact CE2-CD1 4.04Å; F437-I441 HydrophobicContact CG-CD1 4.35Å; F437-I441 HydrophobicContact CZ-CD1 3.47Å; F437-I441 VanDerWaalsContact CZ-CD1 3.47Å; F437-I441 WeakPolarHBondContact O-CG1 3.42Å; F437-I441 PolarHBondContact O-N 3.31Å; F437-I441 VanDerWaalsContact O-N 3.08Å; V438-I441 PolarHBondContact O-N 2.75Å; N439-I441 VanDerWaalsContact C-N 3.28Å; N439-I441 PolarHBondContact O-N 3.24Å; I441-E443 VanDerWaalsContact C-N 3.31Å; I441-E443 PolarHBondContact O-N 2.96Å; I441-I444 PolarHBondContact O-N 3.35Å; I441-C445 WeakPolarHBondContact O-CB 3.06Å; I441-C445 PolarHBondContact O-N 2.97Å; I441-C445 PolarHBondContact O-SG 3.09Å; I441-C445 VanDerWaalsContact O-SG 3.35Å
442	I	82.6	Confident	84.3	Confident	44 Å²	44	46.6 Å²	46.6	23%	0.226	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-42.2	-174.4	-67.8	165.7	0	0	0	109.5	V438 N439 I444 V446 L483	V438-I442 HydrophobicContact CG1-CD1 3.52Å; V438-I442 WeakPolarHBondContact O-CD1 3.38Å; V438-I442 VanDerWaalsContact O-CG1 3.29Å; V438-I442 WeakPolarHBondContact O-CG1 3.39Å; V438-I442 PolarHBondContact O-N 2.86Å; N439-I442 PolarHBondContact O-N 3.37Å; N439-I442 VanDerWaalsContact O-N 3.13Å; I442-I444 VanDerWaalsContact C-N 3.3Å; I442-I444 PolarHBondContact O-N 2.99Å; I442-V446 HydrophobicContact CB-CG2 4.38Å; I442-V446 HydrophobicContact CG2-CB 4.37Å; I442-V446 HydrophobicContact CG2-CG2 3.59Å; I442-V446 WeakPolarHBondContact O-CB 3.36Å; I442-V446 VanDerWaalsContact O-CG2 3.3Å; I442-V446 WeakPolarHBondContact O-CG2 3.44Å; I442-V446 PolarHBondContact O-N 2.98Å; I442-L483 HydrophobicContact CB-CD2 3.86Å; I442-L483 HydrophobicContact CD1-CD1 4.32Å; I442-L483 HydrophobicContact CD1-CD2 3.26Å; I442-L483 HydrophobicContact CD1-CG 4.35Å; I442-L483 HydrophobicContact CG1-CD2 3.93Å; I442-L483 HydrophobicContact CG2-CD2 3.11Å; I442-L483 HydrophobicContact CG2-CG 4.1Å
443	E	76.5	Confident	84.1	Confident	27 Å²	27	52.1 Å²	52.1	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-35.3	179.8	-177.1	168	132.1	0	0	113.8	N439 I441 P447 V538 K542	N439-E443 WeakPolarHBondContact O-CB 3.27Å; N439-E443 PolarHBondContact O-N 3.39Å; I441-E443 VanDerWaalsContact C-N 3.31Å; I441-E443 PolarHBondContact O-N 2.96Å; E443-P447 WeakPolarHBondContact O-CD 3.31Å; E443-P447 WeakPolarHBondContact O-CG 3.44Å; E443-V538 HydrophobicContact CG-CG1 3.89Å; E443-V538 WeakPolarHBondContact OE1-CG1 3.02Å; E443-K542 VanDerWaalsContact CD-CE 3.45Å; E443-K542 HydrophobicContact CG-CD 3.48Å; E443-K542 VanDerWaalsContact CG-CD 3.48Å; E443-K542 WeakPolarHBondContact OE1-CE 3.23Å; E443-K542 IonicContact OE1-NZ 3.49Å; E443-K542 PolarHBondContact OE1-NZ 2.72Å; E443-K542 IonicContact OE2-NZ 2.79Å; E443-K542 PolarHBondContact OE2-NZ 3.31Å
444	I	82.9	Confident	83.7	Confident	60 Å²	60	52.9 Å²	52.9	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-83.8	-53.4	175.6	-64.8	166.3	0	0	0	110.4	N440 I441 I442 L448 V538	N440-I444 WeakPolarHBondContact O-CB 3.5Å; N440-I444 WeakPolarHBondContact O-CD1 3.4Å; N440-I444 VanDerWaalsContact O-CG1 3.24Å; N440-I444 WeakPolarHBondContact O-CG1 3.28Å; N440-I444 PolarHBondContact O-N 3.09Å; N440-I444 VanDerWaalsContact O-N 3.08Å; I441-I444 PolarHBondContact O-N 3.35Å; I442-I444 VanDerWaalsContact C-N 3.3Å; I442-I444 PolarHBondContact O-N 2.99Å; I444-L448 HydrophobicContact CG2-CD1 4.01Å; I444-L448 WeakPolarHBondContact O-CB 3.02Å; I444-L448 WeakPolarHBondContact O-CD1 3.18Å; I444-L448 VanDerWaalsContact O-CG 3.3Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; I444-V538 HydrophobicContact CD1-CG1 4.25Å; I444-V538 HydrophobicContact CD1-CG2 3.73Å; I444-V538 HydrophobicContact CG1-CB 4.45Å; I444-V538 HydrophobicContact CG1-CG1 3.57Å; I444-V538 HydrophobicContact CG1-CG2 3.97Å
445	C	85.8	Confident	83.2	Confident	69 Å²	69	57.1 Å²	57.1	47%	0.466	28%	0.28	S	S	.	.	H	α-helix	trans	-73.7	-41	-166.7	-65.9	0	0	0	0	112.9	I441 L449	I441-C445 WeakPolarHBondContact O-CB 3.06Å; I441-C445 PolarHBondContact O-N 2.97Å; I441-C445 PolarHBondContact O-SG 3.09Å; I441-C445 VanDerWaalsContact O-SG 3.35Å; C445-L449 WeakPolarHBondContact O-CB 3.22Å; C445-L449 PolarHBondContact O-N 2.95Å
446	V	81.4	Confident	83.1	Confident	30 Å²	30	63.4 Å²	63.4	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-53.6	-175.5	174.5	0	0	0	0	112.5	I442 L448 L449 L450 L484	I442-V446 HydrophobicContact CB-CG2 4.38Å; I442-V446 HydrophobicContact CG2-CB 4.37Å; I442-V446 HydrophobicContact CG2-CG2 3.59Å; I442-V446 WeakPolarHBondContact O-CB 3.36Å; I442-V446 VanDerWaalsContact O-CG2 3.3Å; I442-V446 WeakPolarHBondContact O-CG2 3.44Å; I442-V446 PolarHBondContact O-N 2.98Å; V446-L448 VanDerWaalsContact C-N 3.31Å; V446-L448 PolarHBondContact O-N 3.46Å; V446-L449 PolarHBondContact O-N 3.49Å; V446-L450 HydrophobicContact CG1-CD1 3.89Å; V446-L450 HydrophobicContact CG1-CG 4.34Å; V446-L450 VanDerWaalsContact O-CG 3.32Å; V446-L450 WeakPolarHBondContact O-CG 3.25Å; V446-L450 PolarHBondContact O-N 2.91Å; V446-L484 HydrophobicContact CB-CD1 4.39Å; V446-L484 HydrophobicContact CG1-CD1 3.62Å; V446-L484 HydrophobicContact CG2-CD1 3.78Å
447	P	79.8	Confident	82.9	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-65.3	-36.7	-177.9	24.4	-32.9	0	0	0	112.2	E443 L450 N451 N476 Y547	E443-P447 WeakPolarHBondContact O-CD 3.31Å; E443-P447 WeakPolarHBondContact O-CG 3.44Å; P447-L450 PolarHBondContact O-N 3.35Å; P447-N451 WeakPolarHBondContact O-CB 3.33Å; P447-N451 VanDerWaalsContact O-CG 3.29Å; P447-N451 PolarHBondContact O-N 3.44Å; P447-N451 PolarHBondContact O-ND2 3.39Å; P447-N476 VanDerWaalsContact CA-ND2 3.27Å; P447-N476 WeakPolarHBondContact CA-ND2 3.25Å; P447-N476 WeakPolarHBondContact CB-ND2 3.32Å; P447-N476 PolarHBondContact O-ND2 2.97Å; P447-Y547 HydrophobicContact CB-CE1 4.19Å
448	L	85.1	Confident	82.4	Confident	65 Å²	65	63 Å²	63	34%	0.34	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-46.5	175.5	-74.7	-179.8	0	0	0	112	I444 V446 N451 Y452 Y541	I444-L448 HydrophobicContact CG2-CD1 4.01Å; I444-L448 WeakPolarHBondContact O-CB 3.02Å; I444-L448 WeakPolarHBondContact O-CD1 3.18Å; I444-L448 VanDerWaalsContact O-CG 3.3Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; V446-L448 VanDerWaalsContact C-N 3.31Å; V446-L448 PolarHBondContact O-N 3.46Å; L448-N451 PolarHBondContact O-N 3.16Å; L448-Y452 WeakPolarHBondContact O-CB 3.42Å; L448-Y452 PolarHBondContact O-N 3.03Å; L448-Y541 HydrophobicContact CD2-CE1 3.96Å
449	L	87	Confident	81.9	Confident	101 Å²	101	69.5 Å²	69.5	53%	0.529	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-45.1	177.3	-178.8	63.7	0	0	0	111.3	C445 V446 Y452 M453	C445-L449 WeakPolarHBondContact O-CB 3.22Å; C445-L449 PolarHBondContact O-N 2.95Å; V446-L449 PolarHBondContact O-N 3.49Å; L449-Y452 PolarHBondContact O-N 3.45Å; L449-M453 HydrophobicContact CD1-CG 4.32Å; L449-M453 HydrophobicContact CD1-SD 4.32Å; L449-M453 HydrophobicContact CG-CG 4.48Å; L449-M453 HydrophobicContact CG-SD 4.07Å; L449-M453 WeakPolarHBondContact O-CB 3.41Å; L449-M453 VanDerWaalsContact O-CG 3.27Å; L449-M453 WeakPolarHBondContact O-CG 3.23Å; L449-M453 PolarHBondContact O-N 3.22Å
450	L	82.8	Confident	81.6	Confident	32 Å²	32	70.2 Å²	70.2	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-43.3	177.9	-70.1	176.2	0	0	0	112.1	V446 P447 Y452 M453 R454	V446-L450 HydrophobicContact CG1-CD1 3.89Å; V446-L450 HydrophobicContact CG1-CG 4.34Å; V446-L450 VanDerWaalsContact O-CG 3.32Å; V446-L450 WeakPolarHBondContact O-CG 3.25Å; V446-L450 PolarHBondContact O-N 2.91Å; P447-L450 PolarHBondContact O-N 3.35Å; L450-Y452 VanDerWaalsContact C-N 3.34Å; L450-M453 PolarHBondContact O-N 2.93Å; L450-R454 WeakPolarHBondContact O-CB 3.14Å; L450-R454 WeakPolarHBondContact O-CG 3.47Å; L450-R454 PolarHBondContact O-N 3.41Å
451	N	82.1	Confident	81	Confident	11 Å²	11	71.7 Å²	71.7	6%	0.059	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-42.2	175.7	-78	-17.1	0	0	0	111.1	P447 L448 R454 K455 N476 S546	P447-N451 WeakPolarHBondContact O-CB 3.33Å; P447-N451 VanDerWaalsContact O-CG 3.29Å; P447-N451 PolarHBondContact O-N 3.44Å; P447-N451 PolarHBondContact O-ND2 3.39Å; L448-N451 PolarHBondContact O-N 3.16Å; N451-R454 PolarHBondContact O-N 2.93Å; N451-K455 WeakPolarHBondContact O-CB 3.3Å; N451-K455 WeakPolarHBondContact O-CG 3.46Å; N451-K455 PolarHBondContact O-N 3.29Å; N451-N476 PolarHBondContact OD1-N 2.96Å; N451-N476 VanDerWaalsContact OD1-N 3.09Å; N451-N476 PolarHBondContact OD1-ND2 3.31Å; N451-N476 PolarHBondContact OD1-OD1 2.76Å; N451-S546 PolarHBondContact ND2-O 3.02Å
452	Y	84.7	Confident	80.2	Confident	138 Å²	138	76.6 Å²	76.6	54%	0.541	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-48.9	175.9	177	-99.3	0	0	0	111.8	L448 L449 L450 R454 K455 K456	L448-Y452 WeakPolarHBondContact O-CB 3.42Å; L448-Y452 PolarHBondContact O-N 3.03Å; L449-Y452 PolarHBondContact O-N 3.45Å; L450-Y452 VanDerWaalsContact C-N 3.34Å; Y452-R454 VanDerWaalsContact C-N 3.35Å; Y452-R454 PolarHBondContact O-N 3.1Å; Y452-K455 PolarHBondContact O-N 2.89Å; Y452-K456 HydrophobicContact CE1-CD 4.01Å; Y452-K456 WeakPolarHBondContact O-CB 3.38Å; Y452-K456 PolarHBondContact O-N 3.41Å; Y452-K456 PolarHBondContact OH-NZ 3.46Å
453	M	85.9	Confident	79.8	Confident	117 Å²	117	78.2 Å²	78.2	58%	0.576	39%	0.393	S	S	*	.	H	α-helix	trans	-61.1	-41.9	177.6	-71.7	178.8	71.5	0	0	111.9	L449 L450 K456 S457	L449-M453 HydrophobicContact CD1-CG 4.32Å; L449-M453 HydrophobicContact CD1-SD 4.32Å; L449-M453 HydrophobicContact CG-CG 4.48Å; L449-M453 HydrophobicContact CG-SD 4.07Å; L449-M453 WeakPolarHBondContact O-CB 3.41Å; L449-M453 VanDerWaalsContact O-CG 3.27Å; L449-M453 WeakPolarHBondContact O-CG 3.23Å; L449-M453 PolarHBondContact O-N 3.22Å; L450-M453 PolarHBondContact O-N 2.93Å; M453-K456 PolarHBondContact O-N 3.39Å; M453-S457 PolarHBondContact O-N 3.08Å
454	R	80.8	Confident	79.5	Confident	67 Å²	67	78 Å²	78	25%	0.253	40%	0.396	S	S	.	.	H	α-helix	trans	-66.2	-41.5	176.2	-77.2	-177.4	-176	153.3	8.9	112.4	L450 N451 Y452 K456 S457 T460 N476	L450-R454 WeakPolarHBondContact O-CB 3.14Å; L450-R454 WeakPolarHBondContact O-CG 3.47Å; L450-R454 PolarHBondContact O-N 3.41Å; N451-R454 PolarHBondContact O-N 2.93Å; Y452-R454 VanDerWaalsContact C-N 3.35Å; Y452-R454 PolarHBondContact O-N 3.1Å; R454-K456 VanDerWaalsContact C-N 3.34Å; R454-S457 PolarHBondContact O-N 2.99Å; R454-T460 WeakPolarHBondContact O-CB 3.47Å; R454-T460 PolarHBondContact O-OG1 3.33Å; R454-N476 PolarHBondContact NH1-OD1 3.43Å
455	K	78	Confident	78.8	Confident	109 Å²	109	80.2 Å²	80.2	47%	0.474	42%	0.417	S	S	.	.	H	α-helix	trans	-67.2	-33.8	176.7	-75.6	-178.9	178.5	-174.7	0	112.5	N451 Y452 S457	N451-K455 WeakPolarHBondContact O-CB 3.3Å; N451-K455 WeakPolarHBondContact O-CG 3.46Å; N451-K455 PolarHBondContact O-N 3.29Å; Y452-K455 PolarHBondContact O-N 2.89Å; K455-S457 VanDerWaalsContact C-N 3.35Å
456	K	82.4	Confident	78.1	Confident	143 Å²	143	80.5 Å²	80.5	62%	0.622	42%	0.424	S	S	*	.	H	α-helix	trans	-77.9	-16	179.9	-163.8	172.7	-176.2	174.9	0	113.9	Y452 M453 R454	Y452-K456 HydrophobicContact CE1-CD 4.01Å; Y452-K456 WeakPolarHBondContact O-CB 3.38Å; Y452-K456 PolarHBondContact O-N 3.41Å; Y452-K456 PolarHBondContact OH-NZ 3.46Å; M453-K456 PolarHBondContact O-N 3.39Å; R454-K456 VanDerWaalsContact C-N 3.34Å
457	S	80.9	Confident	77.8	Confident	45 Å²	45	80.5 Å²	80.5	32%	0.315	43%	0.427	S	S	.	.	S	Bend	trans	-61.4	129.6	176.8	177.3	0	0	0	0	110.6	M453 R454 K455 K459 T460 A461	M453-S457 PolarHBondContact O-N 3.08Å; R454-S457 PolarHBondContact O-N 2.99Å; K455-S457 VanDerWaalsContact C-N 3.35Å; S457-K459 PolarHBondContact O-N 3.09Å; S457-K459 VanDerWaalsContact O-N 3.14Å; S457-T460 WeakPolarHBondContact CB-OG1 3.38Å; S457-T460 PolarHBondContact O-N 3.47Å; S457-T460 VanDerWaalsContact O-N 3.12Å; S457-T460 PolarHBondContact O-OG1 3.29Å; S457-A461 PolarHBondContact O-N 2.93Å
458	P	75.6	Confident	77.6	Confident	103 Å²	103	86.5 Å²	86.5	67%	0.669	46%	0.459	S	S	*	.	H	α-helix	trans	-63.6	-26.1	-174.3	24	-33.8	0	0	0	112.8
459	K	74.8	Confident	77.6	Confident	182 Å²	182	89.8 Å²	89.8	79%	0.791	47%	0.467	S	S	*	.	H	α-helix	trans	-68.1	-39.1	177.1	-66.9	-175.1	-179.8	-178.8	0	112.1	S457	S457-K459 PolarHBondContact O-N 3.09Å; S457-K459 VanDerWaalsContact O-N 3.14Å
460	T	74.1	Confident	77.5	Confident	29 Å²	29	85 Å²	85	18%	0.178	44%	0.442	C	S	.	.	H	α-helix	trans	-88.5	-32.5	-175.1	49.2	0	0	0	0	111.8	R454 S457 K462 L463 A464 L474	R454-T460 WeakPolarHBondContact O-CB 3.47Å; R454-T460 PolarHBondContact O-OG1 3.33Å; S457-T460 WeakPolarHBondContact CB-OG1 3.38Å; S457-T460 PolarHBondContact O-N 3.47Å; S457-T460 VanDerWaalsContact O-N 3.12Å; S457-T460 PolarHBondContact O-OG1 3.29Å; T460-K462 VanDerWaalsContact C-N 3.31Å; T460-K462 PolarHBondContact O-N 3.03Å; T460-L463 WeakPolarHBondContact O-CB 3.45Å; T460-L463 PolarHBondContact O-N 3.02Å; T460-A464 PolarHBondContact O-N 2.92Å; T460-L474 HydrophobicContact CG2-CD2 3.43Å; T460-L474 VanDerWaalsContact CG2-CD2 3.43Å
461	A	70.8	Confident	77.4	Confident	51 Å²	51	86.3 Å²	86.3	42%	0.421	45%	0.449	S	S	.	.	H	α-helix	trans	-58.2	-40.9	177	0	0	0	0	0	112.5	S457 L463	S457-A461 PolarHBondContact O-N 2.93Å; A461-L463 VanDerWaalsContact C-N 3.29Å; A461-L463 PolarHBondContact O-N 3.43Å
462	K	71.4	Confident	77.5	Confident	178 Å²	178	86.4 Å²	86.4	77%	0.774	45%	0.449	S	S	*	.	H	α-helix	trans	-67	-29.1	174.1	-71.9	-173.1	178.7	-175.9	0	113.4	T460 S465	T460-K462 VanDerWaalsContact C-N 3.31Å; T460-K462 PolarHBondContact O-N 3.03Å; K462-S465 PolarHBondContact O-OG 3.25Å
463	L	74.1	Confident	77.5	Confident	77 Å²	77	83 Å²	83	40%	0.403	44%	0.438	S	S	.	.	H	α-helix	trans	-82.6	-34.9	-177.9	-163.5	67.1	0	0	0	111.2	T460 A461 S465 A466 V470	T460-L463 WeakPolarHBondContact O-CB 3.45Å; T460-L463 PolarHBondContact O-N 3.02Å; A461-L463 VanDerWaalsContact C-N 3.29Å; A461-L463 PolarHBondContact O-N 3.43Å; L463-S465 VanDerWaalsContact C-N 3.25Å; L463-S465 PolarHBondContact O-N 3.4Å; L463-A466 VanDerWaalsContact O-CB 3.28Å; L463-A466 WeakPolarHBondContact O-CB 3.18Å; L463-A466 PolarHBondContact O-N 3.44Å; L463-V470 HydrophobicContact CB-CG1 4Å; L463-V470 HydrophobicContact CD2-CG1 3.85Å; L463-V470 HydrophobicContact CG-CB 4.49Å; L463-V470 HydrophobicContact CG-CG1 3.62Å; L463-V470 HydrophobicContact CG-CG2 4.04Å
464	A	69.7	Low	77.4	Confident	24 Å²	24	77.8 Å²	77.8	20%	0.198	41%	0.412	C	S	.	.	H	α-helix	trans	-60.8	-31.9	-176.4	0	0	0	0	0	113.3	T460 A466 L474	T460-A464 PolarHBondContact O-N 2.92Å; A464-A466 PolarHBondContact O-N 3.19Å; A464-L474 HydrophobicContact CB-CD1 3.82Å
465	S	68.5	Low	77.5	Confident	106 Å²	106	75.1 Å²	75.1	74%	0.741	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.3	176.8	58.7	0	0	0	0	114	K462 L463	K462-S465 PolarHBondContact O-OG 3.25Å; L463-S465 VanDerWaalsContact C-N 3.25Å; L463-S465 PolarHBondContact O-N 3.4Å
466	A	69.3	Low	77.4	Confident	74 Å²	74	70.2 Å²	70.2	61%	0.612	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-35.1	-171.8	0	0	0	0	0	113.7	L463 A464	L463-A466 VanDerWaalsContact O-CB 3.28Å; L463-A466 WeakPolarHBondContact O-CB 3.18Å; L463-A466 PolarHBondContact O-N 3.44Å; A464-A466 PolarHBondContact O-N 3.19Å
467	A	76.6	Confident	76.9	Confident	30 Å²	30	65 Å²	65	25%	0.248	36%	0.362	C	S	.	.			trans	-165.7	152.2	-178.2	0	0	0	0	0	113.7	W469 V470	A467-W469 VanDerWaalsContact C-N 3.34Å; A467-W469 HydrophobicContact CB-CG 4.28Å; A467-W469 PolarHBondContact O-N 3.09Å; A467-V470 HydrophobicContact CB-CG2 4.26Å; A467-V470 VanDerWaalsContact O-CB 3.27Å; A467-V470 WeakPolarHBondContact O-CB 3.3Å; A467-V470 PolarHBondContact O-N 3.13Å
468	D	74.9	Confident	76.2	Confident	135 Å²	135	64.4 Å²	64.4	72%	0.722	36%	0.357	S	S	*	.	H	α-helix	trans	-62.5	-35.3	-178.2	-66.8	-34.3	0	0	0	113.9	V470 N471 D472	D468-V470 PolarHBondContact O-N 3.12Å; D468-N471 WeakPolarHBondContact O-CB 3.4Å; D468-N471 PolarHBondContact O-N 3.06Å; D468-D472 PolarHBondContact O-N 3.44Å
469	W	84.3	Confident	75.3	Confident	134 Å²	134	60.5 Å²	60.5	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-23.6	176.8	67.3	-95.1	0	0	0	112.8	Y64 L66 A467 F473	Y64-W469 PolarHBondContact OH-O 2.98Å; Y64-W469 VanDerWaalsContact OH-O 3.06Å; L66-W469 HydrophobicContact CD1-CB 4.24Å; L66-W469 HydrophobicContact CD2-CB 3.66Å; A467-W469 VanDerWaalsContact C-N 3.34Å; A467-W469 HydrophobicContact CB-CG 4.28Å; A467-W469 PolarHBondContact O-N 3.09Å; W469-F473 WeakPolarHBondContact O-CB 3.23Å; W469-F473 PolarHBondContact O-N 2.95Å
470	V	85	Confident	74.2	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-72.1	-39.6	174.2	-177.4	0	0	0	0	110.3	L463 A467 D468 D472 F473 L474	L463-V470 HydrophobicContact CB-CG1 4Å; L463-V470 HydrophobicContact CD2-CG1 3.85Å; L463-V470 HydrophobicContact CG-CB 4.49Å; L463-V470 HydrophobicContact CG-CG1 3.62Å; L463-V470 HydrophobicContact CG-CG2 4.04Å; A467-V470 HydrophobicContact CB-CG2 4.26Å; A467-V470 VanDerWaalsContact O-CB 3.27Å; A467-V470 WeakPolarHBondContact O-CB 3.3Å; A467-V470 PolarHBondContact O-N 3.13Å; D468-V470 PolarHBondContact O-N 3.12Å; V470-D472 VanDerWaalsContact C-N 3.26Å; V470-D472 PolarHBondContact O-N 3.32Å; V470-F473 WeakPolarHBondContact O-CA 3.34Å; V470-F473 VanDerWaalsContact O-CB 3.32Å; V470-F473 WeakPolarHBondContact O-CB 3.42Å; V470-F473 PolarHBondContact O-N 3.4Å; V470-F473 VanDerWaalsContact O-N 3.09Å; V470-L474 HydrophobicContact CG1-CD1 4.2Å; V470-L474 HydrophobicContact CG1-CG 4.26Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.44Å; V470-L474 PolarHBondContact O-N 2.88Å
471	N	82	Confident	72.9	Confident	59 Å²	59	55.2 Å²	55.2	32%	0.316	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-43.2	177.2	-71.5	-42.1	0	0	0	110.8	D468 L474 L475	D468-N471 WeakPolarHBondContact O-CB 3.4Å; D468-N471 PolarHBondContact O-N 3.06Å; N471-L474 PolarHBondContact O-N 2.82Å; N471-L475 PolarHBondContact O-N 2.95Å
472	D	84.9	Confident	71.6	Confident	12 Å²	12	54.3 Å²	54.3	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-68.7	-38.2	173.6	-75.9	-2.1	0	0	0	112.2	Y64 L66 H67 R94 D468 V470 L474 L475 R548	Y64-D472 HydrophobicContact CE2-CB 3.97Å; L66-D472 HydrophobicContact CD2-CB 4.49Å; H67-D472 WeakPolarHBondContact CB-OD2 3.37Å; H67-D472 IonicContact CD2-OD1 2.83Å; H67-D472 PolarHBondContact CD2-OD1 3.43Å; H67-D472 IonicContact CD2-OD2 2.83Å; H67-D472 PolarHBondContact CD2-OD2 3.26Å; H67-D472 IonicContact CG-OD1 3.42Å; H67-D472 IonicContact CG-OD2 3.12Å; H67-D472 PolarHBondContact N-OD2 3.22Å; R94-D472 IonicContact NH1-OD1 3.68Å; D468-D472 PolarHBondContact O-N 3.44Å; V470-D472 VanDerWaalsContact C-N 3.26Å; V470-D472 PolarHBondContact O-N 3.32Å; D472-L474 PolarHBondContact O-N 3.35Å; D472-L475 WeakPolarHBondContact O-CB 3.33Å; D472-L475 PolarHBondContact O-N 3.39Å; D472-L475 VanDerWaalsContact O-N 3.13Å; D472-R548 VanDerWaalsContact O-CG 3.28Å; D472-R548 WeakPolarHBondContact O-CG 3.49Å
473	F	83.5	Confident	70.2	Confident	68 Å²	68	46.7 Å²	46.7	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-56.8	-37.7	174.1	-174.5	-109.1	0	0	0	112.2	A62 Y64 W469 V470 L475 R548	A62-F473 HydrophobicContact CB-CE2 4.11Å; Y64-F473 AromaticContact CE1-CD2 3.89Å; Y64-F473 HydrophobicContact CE1-CD2 3.89Å; Y64-F473 WeakPolarHBondContact OH-CA 3.3Å; Y64-F473 WeakPolarHBondContact OH-CB 3.39Å; W469-F473 WeakPolarHBondContact O-CB 3.23Å; W469-F473 PolarHBondContact O-N 2.95Å; V470-F473 WeakPolarHBondContact O-CA 3.34Å; V470-F473 VanDerWaalsContact O-CB 3.32Å; V470-F473 WeakPolarHBondContact O-CB 3.42Å; V470-F473 PolarHBondContact O-N 3.4Å; V470-F473 VanDerWaalsContact O-N 3.09Å; F473-L475 VanDerWaalsContact C-N 3.29Å; F473-L475 PolarHBondContact O-N 3.45Å; F473-R548 PolarHBondContact O-NE 2.94Å; F473-R548 PolarHBondContact O-NH2 2.62Å
474	L	83.5	Confident	68.6	Low	7 Å²	7	48.4 Å²	48.4	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-75.4	-17.2	-178.2	-66	176.8	0	0	0	113.5	T460 A464 V470 N471 D472	T460-L474 HydrophobicContact CG2-CD2 3.43Å; T460-L474 VanDerWaalsContact CG2-CD2 3.43Å; A464-L474 HydrophobicContact CB-CD1 3.82Å; V470-L474 HydrophobicContact CG1-CD1 4.2Å; V470-L474 HydrophobicContact CG1-CG 4.26Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.44Å; V470-L474 PolarHBondContact O-N 2.88Å; N471-L474 PolarHBondContact O-N 2.82Å; D472-L474 PolarHBondContact O-N 3.35Å
475	L	83.4	Confident	67	Low	11 Å²	11	50 Å²	50	6%	0.058	29%	0.291	C	S	.	.	S	Bend	trans	-66.1	156.1	172.5	-62.4	174.4	0	0	0	111.1	N471 D472 F473 V545 R548	N471-L475 PolarHBondContact O-N 2.95Å; D472-L475 WeakPolarHBondContact O-CB 3.33Å; D472-L475 PolarHBondContact O-N 3.39Å; D472-L475 VanDerWaalsContact O-N 3.13Å; F473-L475 VanDerWaalsContact C-N 3.29Å; F473-L475 PolarHBondContact O-N 3.45Å; L475-V545 WeakPolarHBondContact CD2-O 3.5Å; L475-R548 HydrophobicContact CB-CG 3.95Å; L475-R548 PolarHBondContact O-NE 3.38Å; L475-R548 VanDerWaalsContact O-NE 3.12Å
476	N	76.5	Confident	65.3	Low	6 Å²	6	48.5 Å²	48.5	3%	0.032	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-62.9	132.8	175.7	-70.2	-43.4	0	0	0	110.6	P447 N451 R454 S546 Y547 R548	P447-N476 VanDerWaalsContact CA-ND2 3.27Å; P447-N476 WeakPolarHBondContact CA-ND2 3.25Å; P447-N476 WeakPolarHBondContact CB-ND2 3.32Å; P447-N476 PolarHBondContact O-ND2 2.97Å; N451-N476 PolarHBondContact OD1-N 2.96Å; N451-N476 VanDerWaalsContact OD1-N 3.09Å; N451-N476 PolarHBondContact OD1-ND2 3.31Å; N451-N476 PolarHBondContact OD1-OD1 2.76Å; R454-N476 PolarHBondContact NH1-OD1 3.43Å; N476-S546 PolarHBondContact N-O 3.33Å; N476-Y547 HydrophobicContact CB-CD1 3.85Å; N476-Y547 HydrophobicContact CB-CE1 4.16Å; N476-Y547 CarbonylContact O-C 3.55Å; N476-Y547 VanDerWaalsContact O-CA 3.32Å; N476-Y547 WeakPolarHBondContact O-CA 3.32Å; N476-R548 PolarHBondContact O-N 3.47Å
477	P	72.2	Confident	64.1	Low	33 Å²	33	48 Å²	48	21%	0.214	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-59.1	150.7	163	29.5	-33.7	0	0	0	108.4
478	V	64.9	Low	62.4	Low	33 Å²	33	53.6 Å²	53.6	20%	0.2	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-58.1	124.5	177.9	176.4	0	0	0	0	108.7	S499 Y547 P550	V478-S499 VanDerWaalsContact CG1-OG 3.29Å; V478-S499 WeakPolarHBondContact CG1-OG 3.23Å; V478-Y547 HydrophobicContact CG2-CG 4.41Å; V478-P550 HydrophobicContact CG2-CB 4.21Å
479	P	56.6	Low	60.7	Low	21 Å²	21	56.1 Å²	56.1	14%	0.136	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.5	144.4	-171.7	25.6	-37.3	0	0	0	112.6	Y487 Y547	P479-Y487 HydrophobicContact CB-CE1 3.9Å; P479-Y487 WeakPolarHBondContact CB-OH 3.27Å; P479-Y547 HydrophobicContact CG-CE1 4.05Å; P479-Y547 HydrophobicContact CG-CE2 4.03Å; P479-Y547 WeakPolarHBondContact CG-OH 3.28Å
480	Q	51.3	Low	58.2	Low	43 Å²	43	54 Å²	54	20%	0.201	28%	0.284	C	S	.	.	S	Bend	trans	-102.7	-11.3	-180	-68.9	161.9	17.7	0	0	113.1	T494 F502	Q480-T494 VanDerWaalsContact NE2-C 3.3Å; Q480-T494 PolarHBondContact NE2-O 2.94Å; Q480-T494 PolarHBondContact OE1-O 3.39Å; Q480-T494 VanDerWaalsContact OE1-O 3.1Å; Q480-F502 WeakPolarHBondContact O-CE2 3.23Å; Q480-F502 WeakPolarHBondContact O-CZ 3.41Å
481	D	47.2	Very low	55.9	Low	57 Å²	57	57.2 Å²	57.2	31%	0.305	31%	0.307	S	S	.	.	S	Bend	trans	-145.3	152.7	-175.7	-75.5	-45.2	0	0	0	112.6	L483 Y487	D481-L483 VanDerWaalsContact C-N 3.34Å; D481-L483 PolarHBondContact O-N 3.15Å; D481-Y487 PolarHBondContact O-OH 3.42Å
482	F	43.8	Very low	53.9	Low	32 Å²	32	60.5 Å²	60.5	14%	0.14	32%	0.318	C	S	.	.	S	Bend	trans	-55.8	-35	-170.5	-178.6	-143.7	0	0	0	114.7	Q345 N439 F502 F506	Q345-F482 HydrophobicContact CG-CD1 4.37Å; N439-F482 VanDerWaalsContact ND2-CE2 3.32Å; N439-F482 WeakPolarHBondContact ND2-CE2 3.5Å; N439-F482 WeakPolarHBondContact ND2-CZ 3.48Å; N439-F482 WeakPolarHBondContact OD1-CE2 3.35Å; N439-F482 WeakPolarHBondContact OD1-CZ 3.47Å; F482-F502 HydrophobicContact CB-CD1 4.45Å; F482-F502 HydrophobicContact CB-CE1 4.42Å; F482-F506 AromaticContact CD2-CE1 3.55Å; F482-F506 HydrophobicContact CD2-CE1 3.55Å; F482-F506 AromaticContact CD2-CE2 3.89Å; F482-F506 HydrophobicContact CD2-CE2 3.89Å; F482-F506 AromaticContact CD2-CZ 3.01Å; F482-F506 HydrophobicContact CD2-CZ 3.01Å; F482-F506 HydrophobicContact CE2-CD1 4.21Å; F482-F506 AromaticContact CE2-CE1 3.24Å; F482-F506 HydrophobicContact CE2-CE1 3.24Å; F482-F506 AromaticContact CE2-CE2 3.89Å; F482-F506 HydrophobicContact CE2-CE2 3.89Å; F482-F506 AromaticContact CE2-CZ 3.11Å; F482-F506 HydrophobicContact CE2-CZ 3.11Å; F482-F506 HydrophobicContact CG-CE1 4.31Å; F482-F506 AromaticContact CG-CZ 3.96Å; F482-F506 HydrophobicContact CG-CZ 3.96Å; F482-F506 AromaticContact CZ-CE1 3.86Å; F482-F506 HydrophobicContact CZ-CE1 3.86Å; F482-F506 HydrophobicContact CZ-CZ 4.15Å
483	L	42.6	Very low	51.8	Low	17 Å²	17	67.8 Å²	67.8	9%	0.089	35%	0.345	C	S	.	.	S	Bend	trans	-164.1	123.6	-166.6	-99.8	161.4	0	0	0	112.7	M341 Q345 I442 D481 G485	M341-L483 HydrophobicContact CE-CD1 3.79Å; Q345-L483 HydrophobicContact CG-CB 4.17Å; I442-L483 HydrophobicContact CB-CD2 3.86Å; I442-L483 HydrophobicContact CD1-CD1 4.32Å; I442-L483 HydrophobicContact CD1-CD2 3.26Å; I442-L483 HydrophobicContact CD1-CG 4.35Å; I442-L483 HydrophobicContact CG1-CD2 3.93Å; I442-L483 HydrophobicContact CG2-CD2 3.11Å; I442-L483 HydrophobicContact CG2-CG 4.1Å; D481-L483 VanDerWaalsContact C-N 3.34Å; D481-L483 PolarHBondContact O-N 3.15Å; L483-G485 PolarHBondContact O-N 3.01Å
484	L	40.9	Very low	49.7	Very low	114 Å²	114	65.8 Å²	65.8	60%	0.597	34%	0.338	S	S	*	.	S	Bend	trans	36.7	-22.2	160.2	-141.1	77.6	0	0	0	122.7	V446 E486	V446-L484 HydrophobicContact CB-CD1 4.39Å; V446-L484 HydrophobicContact CG1-CD1 3.62Å; V446-L484 HydrophobicContact CG2-CD1 3.78Å; L484-E486 PolarHBondContact O-N 3.5Å
485	G	35.9	Very low	48.1	Very low	57 Å²	57	69.3 Å²	69.3	59%	0.588	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	53.5	-167.6	0	0	0	0	0	116.2	L483	L483-G485 PolarHBondContact O-N 3.01Å
486	E	32.3	Very low	46.6	Very low	74 Å²	74	71 Å²	71	35%	0.346	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	169.1	17.6	154.8	-103.7	173.5	-175.1	0	0	115.1	K349 L484 L488 M490	K349-E486 IonicContact NZ-OE1 2.66Å; K349-E486 PolarHBondContact NZ-OE1 2.69Å; K349-E486 IonicContact NZ-OE2 3.4Å; K349-E486 PolarHBondContact NZ-OE2 2.94Å; L484-E486 PolarHBondContact O-N 3.5Å; E486-L488 PolarHBondContact O-N 3.06Å; E486-M490 HydrophobicContact CB-CB 4.12Å; E486-M490 VanDerWaalsContact CD-CG 3.47Å; E486-M490 HydrophobicContact CG-CB 4.01Å; E486-M490 HydrophobicContact CG-CG 4Å; E486-M490 WeakPolarHBondContact OE2-CE 3.5Å
487	Y	44	Very low	45.4	Very low	64 Å²	64	71.6 Å²	71.6	25%	0.251	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	0.7	-172.8	-79.4	-82.8	0	0	0	116.9	P479 D481	P479-Y487 HydrophobicContact CB-CE1 3.9Å; P479-Y487 WeakPolarHBondContact CB-OH 3.27Å; D481-Y487 PolarHBondContact O-OH 3.42Å
488	L	40.1	Very low	44.8	Very low	148 Å²	148	72.5 Å²	72.5	78%	0.775	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-15.2	-177.9	-92.7	148.6	0	0	0	116.5	E486	E486-L488 PolarHBondContact O-N 3.06Å
489	E	40.1	Very low	44.8	Very low	188 Å²	188	71.5 Å²	71.5	88%	0.879	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	-12.8	-177.8	-70.9	-172.5	163.1	0	0	116.2
490	M	31.7	Very low	45.8	Very low	88 Å²	88	71 Å²	71	43%	0.433	36%	0.358	S	S	.	.			trans	-108.8	10	-179.5	-78	-93.2	-82.1	0	0	114.7	E486 K492	E486-M490 HydrophobicContact CB-CB 4.12Å; E486-M490 VanDerWaalsContact CD-CG 3.47Å; E486-M490 HydrophobicContact CG-CB 4.01Å; E486-M490 HydrophobicContact CG-CG 4Å; E486-M490 WeakPolarHBondContact OE2-CE 3.5Å; M490-K492 PolarHBondContact O-N 3.32Å
491	S	36.7	Very low	47.3	Very low	70 Å²	70	69.8 Å²	69.8	49%	0.49	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	2.3	-179.3	177.7	0	0	0	0	116.2
492	K	39.2	Very low	48.9	Very low	127 Å²	127	67.7 Å²	67.7	55%	0.552	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-7.5	-174.5	-76.1	-169.9	177.2	-175.3	0	116.3	N56 M490	N56-K492 PolarHBondContact OD1-O 2.87Å; M490-K492 PolarHBondContact O-N 3.32Å
493	R	41.5	Very low	50.8	Low	165 Å²	165	66.6 Å²	66.6	62%	0.623	34%	0.335	S	S	*	.	S	Bend	trans	-120.9	-9.2	-162.9	-164.2	165.3	-80.6	177	-3.9	117.5	N56	N56-R493 PolarHBondContact OD1-O 3.37Å
494	T	40.1	Very low	53	Low	26 Å²	26	65.9 Å²	65.9	16%	0.16	33%	0.332	C	S	.	.			trans	-142.1	48.2	-165.5	-47.5	0	0	0	0	114.5	W352 Q480 R496 I497	W352-T494 VanDerWaalsContact CE2-CG2 3.44Å; W352-T494 HydrophobicContact CZ2-CG2 3.42Å; W352-T494 VanDerWaalsContact CZ2-CG2 3.42Å; W352-T494 WeakPolarHBondContact CZ2-OG1 3.35Å; W352-T494 VanDerWaalsContact NE1-CG2 3.26Å; Q480-T494 VanDerWaalsContact NE2-C 3.3Å; Q480-T494 PolarHBondContact NE2-O 2.94Å; Q480-T494 PolarHBondContact OE1-O 3.39Å; Q480-T494 VanDerWaalsContact OE1-O 3.1Å; T494-R496 PolarHBondContact O-N 3.26Å; T494-I497 HydrophobicContact CG2-CG1 4.48Å
495	E	48.8	Very low	55.3	Low	82 Å²	82	60.5 Å²	60.5	38%	0.383	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	7.8	-178.5	-78.5	-174.3	166.6	0	0	117.6	L55	L55-E495 VanDerWaalsContact CD1-OE2 3.27Å; L55-E495 WeakPolarHBondContact CD1-OE2 3.39Å
496	R	52	Low	57.8	Low	47 Å²	47	59 Å²	59	18%	0.177	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-12.1	-163.4	-79.5	-173.2	-78.7	-162.6	-9.7	118.5	P249 E250 E363 T494 N498	P249-R496 VanDerWaalsContact CD-NH1 3.3Å; E250-R496 IonicContact OE1-CZ 2.67Å; E250-R496 IonicContact OE1-NH2 3.42Å; E250-R496 PolarHBondContact OE1-NH2 2.97Å; E363-R496 WeakPolarHBondContact OE1-CD 3.46Å; E363-R496 IonicContact OE1-CZ 4Å; E363-R496 IonicContact OE1-NE 3.44Å; E363-R496 IonicContact OE1-NH1 3.87Å; E363-R496 PolarHBondContact OE1-NH1 3.47Å; T494-R496 PolarHBondContact O-N 3.26Å; R496-N498 PolarHBondContact O-N 3.16Å; R496-N498 VanDerWaalsContact O-N 3.1Å
497	I	51.2	Low	60.5	Low	18 Å²	18	55.7 Å²	55.7	9%	0.092	27%	0.266	C	S	.	.	S	Bend	trans	-74.7	111.9	172.1	-54.5	178	0	0	0	108.1	W352 Y370 T494 S499 F501 F502	W352-I497 HydrophobicContact CG-CD1 4.34Å; Y370-I497 HydrophobicContact CE1-CD1 4.3Å; Y370-I497 HydrophobicContact CE1-CG2 4.35Å; T494-I497 HydrophobicContact CG2-CG1 4.48Å; I497-S499 PolarHBondContact O-N 3.28Å; I497-F501 HydrophobicContact CG2-CB 4.36Å; I497-F501 HydrophobicContact CG2-CD1 4.43Å; I497-F502 HydrophobicContact CG2-CE2 3.99Å
498	N	59.1	Low	62.8	Low	51 Å²	51	52.6 Å²	52.6	27%	0.273	25%	0.254	S	S	.	.			trans	-63.6	127.1	179.2	-75.8	-63.7	0	0	0	109.7	K123 E367 R496 V500 F501	K123-N498 PolarHBondContact NZ-ND2 2.86Å; E367-N498 PolarHBondContact OE1-ND2 2.98Å; R496-N498 PolarHBondContact O-N 3.16Å; R496-N498 VanDerWaalsContact O-N 3.1Å; N498-V500 HydrophobicContact CB-CB 4.45Å; N498-V500 PolarHBondContact O-N 2.83Å; N498-F501 VanDerWaalsContact O-CB 3.23Å; N498-F501 WeakPolarHBondContact O-CB 3.42Å; N498-F501 PolarHBondContact O-N 2.96Å
499	S	64.9	Low	65.3	Low	13 Å²	13	45.6 Å²	45.6	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-47.5	-32.7	171.2	45.2	0	0	0	0	113	V478 I497 F501 F502 L503 Y543	V478-S499 VanDerWaalsContact CG1-OG 3.29Å; V478-S499 WeakPolarHBondContact CG1-OG 3.23Å; I497-S499 PolarHBondContact O-N 3.28Å; S499-F501 PolarHBondContact O-N 3.21Å; S499-F502 PolarHBondContact O-N 2.01Å; S499-L503 WeakPolarHBondContact O-CG 3.31Å; S499-L503 PolarHBondContact O-N 2.93Å; S499-Y543 WeakPolarHBondContact CB-OH 3.37Å; S499-Y543 PolarHBondContact OG-OH 2.71Å
500	V	78.5	Confident	67.8	Low	11 Å²	11	37.2 Å²	37.2	7%	0.067	18%	0.178	C	C	.	.	H	α-helix	trans	-53.7	-32.5	175	-178.7	0	0	0	0	112.7	K123 I124 Y127 N498 L503 V504	K123-V500 HydrophobicContact CG-CG1 4.48Å; K123-V500 HydrophobicContact CG-CG2 4.42Å; I124-V500 HydrophobicContact CG1-CG2 3.81Å; Y127-V500 HydrophobicContact CG-CG1 4.45Å; N498-V500 HydrophobicContact CB-CB 4.45Å; N498-V500 PolarHBondContact O-N 2.83Å; V500-L503 PolarHBondContact O-N 2.95Å; V500-V504 HydrophobicContact CG1-CG2 4.04Å; V500-V504 VanDerWaalsContact O-CG2 3.31Å; V500-V504 WeakPolarHBondContact O-CG2 3.12Å; V500-V504 PolarHBondContact O-N 3.4Å
501	F	82.9	Confident	70.8	Confident	16 Å²	16	33 Å²	33	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-53.9	177	169.1	-99.1	0	0	0	112	Y370 T371 V374 I497 N498 S499 L503 V504 L505 W561	Y370-F501 HydrophobicContact CD1-CD2 4.44Å; Y370-F501 HydrophobicContact CD1-CE1 4.19Å; Y370-F501 HydrophobicContact CD1-CE2 4.15Å; Y370-F501 HydrophobicContact CD1-CZ 4.01Å; Y370-F501 AromaticContact CE1-CD1 3.8Å; Y370-F501 HydrophobicContact CE1-CD1 3.8Å; Y370-F501 HydrophobicContact CE1-CD2 4.49Å; Y370-F501 AromaticContact CE1-CE1 3.44Å; Y370-F501 HydrophobicContact CE1-CE1 3.44Å; Y370-F501 VanDerWaalsContact CE1-CE1 3.44Å; Y370-F501 HydrophobicContact CE1-CE2 4.21Å; Y370-F501 HydrophobicContact CE1-CG 4.32Å; Y370-F501 AromaticContact CE1-CZ 3.67Å; Y370-F501 HydrophobicContact CE1-CZ 3.67Å; T371-F501 HydrophobicContact CG2-CE2 3.96Å; T371-F501 WeakPolarHBondContact OG1-CD2 2.96Å; T371-F501 VanDerWaalsContact OG1-CE2 3.22Å; T371-F501 WeakPolarHBondContact OG1-CE2 3.35Å; V374-F501 HydrophobicContact CB-CZ 3.97Å; V374-F501 HydrophobicContact CG1-CE1 4.27Å; V374-F501 HydrophobicContact CG1-CZ 3.91Å; V374-F501 HydrophobicContact CG2-CZ 4.38Å; I497-F501 HydrophobicContact CG2-CB 4.36Å; I497-F501 HydrophobicContact CG2-CD1 4.43Å; N498-F501 VanDerWaalsContact O-CB 3.23Å; N498-F501 WeakPolarHBondContact O-CB 3.42Å; N498-F501 PolarHBondContact O-N 2.96Å; S499-F501 PolarHBondContact O-N 3.21Å; F501-L503 VanDerWaalsContact C-N 3.33Å; F501-L503 PolarHBondContact O-N 3.4Å; F501-V504 PolarHBondContact O-N 3.44Å; F501-L505 HydrophobicContact CE1-CD2 3.9Å; F501-L505 HydrophobicContact CZ-CD2 3.97Å; F501-L505 WeakPolarHBondContact O-CB 3.31Å; F501-L505 PolarHBondContact O-N 3.04Å; F501-W561 HydrophobicContact CD2-CH2 4.39Å; F501-W561 AromaticContact CD2-CZ2 3.57Å; F501-W561 HydrophobicContact CD2-CZ2 3.57Å; F501-W561 AromaticContact CE2-CH2 3.81Å; F501-W561 HydrophobicContact CE2-CH2 3.81Å; F501-W561 AromaticContact CE2-CZ2 3.42Å; F501-W561 HydrophobicContact CE2-CZ2 3.42Å; F501-W561 VanDerWaalsContact CE2-CZ2 3.42Å; F501-W561 HydrophobicContact CZ-CH2 4.39Å; F501-W561 HydrophobicContact CZ-CZ2 4.34Å
502	F	79.7	Confident	73.6	Confident	13 Å²	13	29.7 Å²	29.7	6%	0.057	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-37.9	-178.1	-67.8	-78.6	0	0	0	111.7	Q480 F482 I497 S499 V504 L505 F506	Q480-F502 WeakPolarHBondContact O-CE2 3.23Å; Q480-F502 WeakPolarHBondContact O-CZ 3.41Å; F482-F502 HydrophobicContact CB-CD1 4.45Å; F482-F502 HydrophobicContact CB-CE1 4.42Å; I497-F502 HydrophobicContact CG2-CE2 3.99Å; S499-F502 PolarHBondContact O-N 2.01Å; F502-V504 PolarHBondContact O-N 3.47Å; F502-L505 HydrophobicContact CD1-CD2 4.45Å; F502-L505 WeakPolarHBondContact O-CB 3.21Å; F502-L505 PolarHBondContact O-N 3.34Å; F502-F506 HydrophobicContact CB-CE2 3.97Å; F502-F506 HydrophobicContact CB-CZ 4.02Å; F502-F506 HydrophobicContact CD1-CZ 4.37Å; F502-F506 WeakPolarHBondContact O-CD2 3.5Å; F502-F506 WeakPolarHBondContact O-CE2 3.33Å; F502-F506 VanDerWaalsContact O-CG 3.31Å; F502-F506 WeakPolarHBondContact O-CG 3.33Å; F502-F506 PolarHBondContact O-N 3.16Å
503	L	85	Confident	76.2	Confident	9 Å²	9	23.8 Å²	23.8	5%	0.047	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-43.2	177.6	-60.3	179.7	0	0	0	112.2	Y127 S499 V500 F501 S507 D539 Y543	Y127-L503 HydrophobicContact CD1-CD1 4.03Å; Y127-L503 HydrophobicContact CD2-CB 4Å; Y127-L503 HydrophobicContact CE1-CB 4.04Å; Y127-L503 HydrophobicContact CE1-CD1 3.73Å; Y127-L503 HydrophobicContact CE1-CG 4.42Å; Y127-L503 HydrophobicContact CE2-CB 3.41Å; Y127-L503 VanDerWaalsContact CE2-CB 3.41Å; Y127-L503 VanDerWaalsContact CZ-CB 3.44Å; S499-L503 WeakPolarHBondContact O-CG 3.31Å; S499-L503 PolarHBondContact O-N 2.93Å; V500-L503 PolarHBondContact O-N 2.95Å; F501-L503 VanDerWaalsContact C-N 3.33Å; F501-L503 PolarHBondContact O-N 3.4Å; L503-S507 PolarHBondContact O-N 3.38Å; L503-D539 WeakPolarHBondContact CD2-OD1 3.11Å; L503-Y543 HydrophobicContact CD1-CE2 3.89Å; L503-Y543 WeakPolarHBondContact CD1-OH 3.49Å
504	V	88.7	Confident	78.7	Confident	3 Å²	3	16 Å²	16	2%	0.018	8%	0.079	C	C	.	.	H	α-helix	trans	-68.9	-41	174.9	-179.9	0	0	0	0	110.8	Y127 V500 F501 F502 F506 S507 V508 L558 W561	Y127-V504 HydrophobicContact CD2-CG2 3.71Å; Y127-V504 HydrophobicContact CE2-CG2 4.31Å; V500-V504 HydrophobicContact CG1-CG2 4.04Å; V500-V504 VanDerWaalsContact O-CG2 3.31Å; V500-V504 WeakPolarHBondContact O-CG2 3.12Å; V500-V504 PolarHBondContact O-N 3.4Å; F501-V504 PolarHBondContact O-N 3.44Å; F502-V504 PolarHBondContact O-N 3.47Å; V504-F506 PolarHBondContact O-N 3.1Å; V504-S507 PolarHBondContact O-N 2.99Å; V504-V508 HydrophobicContact CG1-CG2 3.92Å; V504-V508 WeakPolarHBondContact O-CB 3.26Å; V504-V508 VanDerWaalsContact O-CG2 3.24Å; V504-V508 WeakPolarHBondContact O-CG2 3.44Å; V504-V508 PolarHBondContact O-N 3.18Å; V504-L558 HydrophobicContact CG2-CD2 4.29Å; V504-W561 HydrophobicContact CB-CD2 4.4Å; V504-W561 HydrophobicContact CB-CG 4.5Å; V504-W561 HydrophobicContact CB-CZ2 4.34Å; V504-W561 HydrophobicContact CG1-CB 4.08Å; V504-W561 VanDerWaalsContact CG1-CD1 3.47Å; V504-W561 HydrophobicContact CG1-CD2 3.55Å; V504-W561 HydrophobicContact CG1-CE3 4.23Å; V504-W561 HydrophobicContact CG1-CG 3.46Å; V504-W561 VanDerWaalsContact CG1-CG 3.46Å; V504-W561 HydrophobicContact CG1-CZ2 4.32Å
505	L	89.1	Confident	81.3	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.9	-45.5	177.5	178.1	62.9	0	0	0	112.3	V374 F501 F502 V508 L509 W561	V374-L505 HydrophobicContact CG1-CD2 3.82Å; F501-L505 HydrophobicContact CE1-CD2 3.9Å; F501-L505 HydrophobicContact CZ-CD2 3.97Å; F501-L505 WeakPolarHBondContact O-CB 3.31Å; F501-L505 PolarHBondContact O-N 3.04Å; F502-L505 HydrophobicContact CD1-CD2 4.45Å; F502-L505 WeakPolarHBondContact O-CB 3.21Å; F502-L505 PolarHBondContact O-N 3.34Å; L505-V508 PolarHBondContact O-N 3.36Å; L505-L509 HydrophobicContact CD1-CD1 4.41Å; L505-L509 HydrophobicContact CD1-CG 4.44Å; L505-L509 HydrophobicContact CG-CD1 4.49Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 3.35Å; L505-W561 HydrophobicContact CB-CH2 3.59Å; L505-W561 HydrophobicContact CB-CZ2 4.1Å; L505-W561 HydrophobicContact CB-CZ3 4.44Å; L505-W561 HydrophobicContact CD1-CH2 3.62Å; L505-W561 HydrophobicContact CD1-CZ3 4.01Å; L505-W561 HydrophobicContact CG-CH2 4.16Å
506	F	87.2	Confident	83.4	Confident	27 Å²	27	10.9 Å²	10.9	12%	0.118	5%	0.053	C	C	.	.	H	α-helix	trans	-63.8	-43.4	176.9	-59.3	-35.6	0	0	0	112.1	F482 F502 V504 V508 L509 Q510	F482-F506 AromaticContact CD2-CE1 3.55Å; F482-F506 HydrophobicContact CD2-CE1 3.55Å; F482-F506 AromaticContact CD2-CE2 3.89Å; F482-F506 HydrophobicContact CD2-CE2 3.89Å; F482-F506 AromaticContact CD2-CZ 3.01Å; F482-F506 HydrophobicContact CD2-CZ 3.01Å; F482-F506 HydrophobicContact CE2-CD1 4.21Å; F482-F506 AromaticContact CE2-CE1 3.24Å; F482-F506 HydrophobicContact CE2-CE1 3.24Å; F482-F506 AromaticContact CE2-CE2 3.89Å; F482-F506 HydrophobicContact CE2-CE2 3.89Å; F482-F506 AromaticContact CE2-CZ 3.11Å; F482-F506 HydrophobicContact CE2-CZ 3.11Å; F482-F506 HydrophobicContact CG-CE1 4.31Å; F482-F506 AromaticContact CG-CZ 3.96Å; F482-F506 HydrophobicContact CG-CZ 3.96Å; F482-F506 AromaticContact CZ-CE1 3.86Å; F482-F506 HydrophobicContact CZ-CE1 3.86Å; F482-F506 HydrophobicContact CZ-CZ 4.15Å; F502-F506 HydrophobicContact CB-CE2 3.97Å; F502-F506 HydrophobicContact CB-CZ 4.02Å; F502-F506 HydrophobicContact CD1-CZ 4.37Å; F502-F506 WeakPolarHBondContact O-CD2 3.5Å; F502-F506 WeakPolarHBondContact O-CE2 3.33Å; F502-F506 VanDerWaalsContact O-CG 3.31Å; F502-F506 WeakPolarHBondContact O-CG 3.33Å; F502-F506 PolarHBondContact O-N 3.16Å; V504-F506 PolarHBondContact O-N 3.1Å; F506-V508 VanDerWaalsContact C-N 3.33Å; F506-V508 PolarHBondContact O-N 3.49Å; F506-L509 PolarHBondContact O-N 2.78Å; F506-Q510 WeakPolarHBondContact O-CB 3.37Å; F506-Q510 PolarHBondContact O-N 3.3Å
507	S	89.9	Confident	85.4	Confident	3 Å²	3	8.7 Å²	8.7	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-61.1	-40	175.5	178.6	0	0	0	0	112.2	W130 L503 V504 Q510 Y511	W130-S507 PolarHBondContact NE1-OG 2.67Å; W130-S507 VanDerWaalsContact NE1-OG 3.08Å; L503-S507 PolarHBondContact O-N 3.38Å; V504-S507 PolarHBondContact O-N 2.99Å; S507-Q510 PolarHBondContact O-N 2.77Å; S507-Y511 WeakPolarHBondContact O-CB 3.19Å; S507-Y511 PolarHBondContact O-N 3.03Å
508	V	93	Very high	87.4	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-70.1	-39.8	179.2	171.2	0	0	0	0	112	F375 V504 L505 F506 Y511 G512 W561 I564 L565 I568	F375-V508 HydrophobicContact CD2-CG1 4.36Å; F375-V508 HydrophobicContact CE2-CG1 4.08Å; V504-V508 HydrophobicContact CG1-CG2 3.92Å; V504-V508 WeakPolarHBondContact O-CB 3.26Å; V504-V508 VanDerWaalsContact O-CG2 3.24Å; V504-V508 WeakPolarHBondContact O-CG2 3.44Å; V504-V508 PolarHBondContact O-N 3.18Å; L505-V508 PolarHBondContact O-N 3.36Å; F506-V508 VanDerWaalsContact C-N 3.33Å; F506-V508 PolarHBondContact O-N 3.49Å; V508-Y511 WeakPolarHBondContact O-CB 3.49Å; V508-Y511 PolarHBondContact O-N 2.66Å; V508-G512 PolarHBondContact O-N 3.35Å; V508-W561 HydrophobicContact CB-CE3 4.31Å; V508-W561 HydrophobicContact CB-CZ3 4.32Å; V508-W561 HydrophobicContact CG1-CE3 4.32Å; V508-W561 HydrophobicContact CG1-CZ3 4.35Å; V508-W561 HydrophobicContact CG2-CD2 4.42Å; V508-W561 HydrophobicContact CG2-CE3 3.79Å; V508-W561 HydrophobicContact CG2-CZ3 4.25Å; V508-I564 HydrophobicContact CG1-CG2 3.75Å; V508-L565 HydrophobicContact CG1-CD2 4.32Å; V508-L565 HydrophobicContact CG2-CD2 4.07Å; V508-L565 HydrophobicContact CG2-CG 4.24Å; V508-I568 HydrophobicContact CG1-CD1 3.73Å
509	L	91.6	Very high	88.9	Confident	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-67.1	-39.8	174.2	-71.3	175.8	0	0	0	112	Q378 Y382 Y383 L505 F506 Y511 G512 F513	Q378-L509 HydrophobicContact CB-CD1 4.27Å; Q378-L509 HydrophobicContact CB-CD2 4.46Å; Q378-L509 VanDerWaalsContact OE1-CD1 3.32Å; Y382-L509 HydrophobicContact CD2-CD1 3.96Å; Y382-L509 HydrophobicContact CD2-CD2 4.43Å; Y382-L509 HydrophobicContact CE2-CD1 3.93Å; Y383-L509 HydrophobicContact CE2-CD2 4.23Å; Y383-L509 PolarHBondContact OH-O 3.16Å; L505-L509 HydrophobicContact CD1-CD1 4.41Å; L505-L509 HydrophobicContact CD1-CG 4.44Å; L505-L509 HydrophobicContact CG-CD1 4.49Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 3.35Å; F506-L509 PolarHBondContact O-N 2.78Å; L509-Y511 VanDerWaalsContact C-N 3.33Å; L509-G512 PolarHBondContact O-N 2.9Å; L509-F513 WeakPolarHBondContact O-CD2 3.12Å; L509-F513 PolarHBondContact O-N 2.79Å
510	Q	93.4	Very high	90.1	Very high	11 Å²	11	5 Å²	5	5%	0.051	3%	0.025	C	C	.	.	H	α-helix	trans	-61.3	-43	173.2	-175.1	-173.3	10.5	0	0	111.6	F506 S507 G512 F513 V514 A528 N532	F506-Q510 WeakPolarHBondContact O-CB 3.37Å; F506-Q510 PolarHBondContact O-N 3.3Å; S507-Q510 PolarHBondContact O-N 2.77Å; Q510-G512 VanDerWaalsContact C-N 3.3Å; Q510-G512 PolarHBondContact O-N 2.69Å; Q510-F513 PolarHBondContact O-N 3.03Å; Q510-V514 WeakPolarHBondContact O-CG2 3.24Å; Q510-V514 PolarHBondContact O-N 3.24Å; Q510-A528 HydrophobicContact CG-CB 3.99Å; Q510-A528 VanDerWaalsContact NE2-CB 3.25Å; Q510-A528 PolarHBondContact NE2-O 2.92Å; Q510-N532 VanDerWaalsContact CD-OD1 3.28Å; Q510-N532 PolarHBondContact NE2-OD1 3.23Å; Q510-N532 PolarHBondContact OE1-OD1 3.4Å
511	Y	94.9	Very high	90.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-55.3	-46.5	172.2	178.4	-95.4	0	0	0	111.3	Y134 W216 A217 F220 S507 V508 L509 F513 V514 T515 L565 I568 S569	Y134-Y511 AromaticContact CE2-CD2 3.85Å; Y134-Y511 HydrophobicContact CE2-CD2 3.85Å; Y134-Y511 WeakPolarHBondContact OH-CA 3.37Å; Y134-Y511 PolarHBondContact OH-N 2.9Å; W216-Y511 HydrophobicContact CH2-CE2 4.24Å; W216-Y511 HydrophobicContact CZ3-CD2 4.5Å; W216-Y511 AromaticContact CZ3-CE2 3.91Å; W216-Y511 HydrophobicContact CZ3-CE2 3.91Å; A217-Y511 WeakPolarHBondContact CA-OH 3.47Å; A217-Y511 WeakPolarHBondContact CB-OH 3.41Å; A217-Y511 PolarHBondContact O-OH 2.75Å; F220-Y511 HydrophobicContact CD1-CD2 4.35Å; F220-Y511 AromaticContact CD1-CE2 3.55Å; F220-Y511 HydrophobicContact CD1-CE2 3.55Å; F220-Y511 AromaticContact CE1-CD2 3.99Å; F220-Y511 HydrophobicContact CE1-CD2 3.99Å; F220-Y511 AromaticContact CE1-CE2 3.63Å; F220-Y511 HydrophobicContact CE1-CE2 3.63Å; S507-Y511 WeakPolarHBondContact O-CB 3.19Å; S507-Y511 PolarHBondContact O-N 3.03Å; V508-Y511 WeakPolarHBondContact O-CB 3.49Å; V508-Y511 PolarHBondContact O-N 2.66Å; L509-Y511 VanDerWaalsContact C-N 3.33Å; Y511-F513 PolarHBondContact O-N 2.7Å; Y511-V514 PolarHBondContact O-N 2.92Å; Y511-V514 VanDerWaalsContact O-N 3.16Å; Y511-T515 HydrophobicContact CD1-CG2 4.33Å; Y511-T515 HydrophobicContact CD2-CG2 4.19Å; Y511-T515 HydrophobicContact CE1-CG2 3.93Å; Y511-T515 HydrophobicContact CE2-CG2 3.76Å; Y511-T515 HydrophobicContact CG-CG2 4.46Å; Y511-T515 PolarHBondContact O-N 2.81Å; Y511-T515 PolarHBondContact O-OG1 2.97Å; Y511-T515 VanDerWaalsContact O-OG1 3.1Å; Y511-L565 HydrophobicContact CD1-CD2 3.57Å; Y511-L565 HydrophobicContact CE1-CD2 3.97Å; Y511-L565 HydrophobicContact CG-CD2 3.9Å; Y511-I568 HydrophobicContact CD1-CB 4.49Å; Y511-I568 HydrophobicContact CD1-CG2 3.95Å; Y511-I568 HydrophobicContact CE1-CB 4.39Å; Y511-I568 HydrophobicContact CE1-CG2 3.99Å; Y511-S569 PolarHBondContact OH-OG 3.38Å
512	G	94.5	Very high	91.1	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61	-41	176.5	0	0	0	0	0	114	Y383 V508 L509 Q510 V514 T515 L516	Y383-G512 VanDerWaalsContact OH-CA 3.3Å; Y383-G512 WeakPolarHBondContact OH-CA 3.48Å; V508-G512 PolarHBondContact O-N 3.35Å; L509-G512 PolarHBondContact O-N 2.9Å; Q510-G512 VanDerWaalsContact C-N 3.3Å; Q510-G512 PolarHBondContact O-N 2.69Å; G512-V514 VanDerWaalsContact C-N 3.31Å; G512-V514 PolarHBondContact O-N 3.25Å; G512-T515 PolarHBondContact O-N 2.74Å; G512-L516 VanDerWaalsContact O-CB 3.24Å; G512-L516 WeakPolarHBondContact O-CB 3.43Å; G512-L516 WeakPolarHBondContact O-CD1 3.45Å; G512-L516 WeakPolarHBondContact O-CG 3.28Å; G512-L516 PolarHBondContact O-N 2.94Å
513	F	93.2	Very high	91.7	Very high	4 Å²	4	5.2 Å²	5.2	2%	0.018	3%	0.027	C	C	.	.	H	α-helix	trans	-62	-39.7	174	-68.8	-57.9	0	0	0	112.1	Y382 Y383 L386 L428 I431 M432 L509 Q510 Y511	Y382-F513 AromaticContact CD1-CZ 3.87Å; Y382-F513 HydrophobicContact CD1-CZ 3.87Å; Y382-F513 HydrophobicContact CG-CZ 4.01Å; Y383-F513 HydrophobicContact CD1-CD1 4.13Å; Y383-F513 AromaticContact CD1-CE1 3.91Å; Y383-F513 HydrophobicContact CD1-CE1 3.91Å; Y383-F513 AromaticContact CE1-CD1 3.38Å; Y383-F513 HydrophobicContact CE1-CD1 3.38Å; Y383-F513 AromaticContact CE1-CE1 3.42Å; Y383-F513 HydrophobicContact CE1-CE1 3.42Å; Y383-F513 VanDerWaalsContact CE1-CE1 3.42Å; Y383-F513 HydrophobicContact CE1-CG 4.07Å; Y383-F513 HydrophobicContact CE1-CZ 4.15Å; Y383-F513 PolarHBondContact OH-N 3.32Å; L386-F513 HydrophobicContact CD1-CD1 4.2Å; L386-F513 HydrophobicContact CD1-CE1 3.94Å; L428-F513 HydrophobicContact CD1-CB 4.24Å; L428-F513 HydrophobicContact CD1-CD1 3.53Å; L428-F513 HydrophobicContact CD1-CE1 4.31Å; L428-F513 HydrophobicContact CD1-CG 4.24Å; I431-F513 HydrophobicContact CG2-CE1 3.91Å; I431-F513 HydrophobicContact CG2-CE2 4.48Å; I431-F513 HydrophobicContact CG2-CZ 3.6Å; M432-F513 HydrophobicContact CG-CB 4.41Å; M432-F513 HydrophobicContact CG-CD2 4.38Å; M432-F513 HydrophobicContact SD-CB 3.98Å; L509-F513 WeakPolarHBondContact O-CD2 3.12Å; L509-F513 PolarHBondContact O-N 2.79Å; Q510-F513 PolarHBondContact O-N 3.03Å; Y511-F513 PolarHBondContact O-N 2.7Å
514	V	94.2	Very high	92.2	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-72.7	-29.3	-179.6	172.5	0	0	0	0	112.7	L138 M213 M432 Q510 Y511 G512 V518 A524 P525 A528	L138-V514 HydrophobicContact CD2-CG1 4.08Å; M213-V514 HydrophobicContact CE-CG1 3.87Å; M432-V514 HydrophobicContact CE-CG2 4Å; Q510-V514 WeakPolarHBondContact O-CG2 3.24Å; Q510-V514 PolarHBondContact O-N 3.24Å; Y511-V514 PolarHBondContact O-N 2.92Å; Y511-V514 VanDerWaalsContact O-N 3.16Å; G512-V514 VanDerWaalsContact C-N 3.31Å; G512-V514 PolarHBondContact O-N 3.25Å; V514-V518 WeakPolarHBondContact O-CB 3.45Å; V514-A524 HydrophobicContact CG2-CB 4.47Å; V514-P525 HydrophobicContact CG1-CB 4.22Å; V514-P525 HydrophobicContact CG1-CG 4Å; V514-A528 HydrophobicContact CG2-CB 3.54Å
515	T	94.9	Very high	92.5	Very high	2 Å²	2	4.6 Å²	4.6	1%	0.012	2%	0.024	C	C	.	.	H	α-helix	trans	-99.5	-37.9	-176.6	58.6	0	0	0	0	114.3	W216 A217 Y511 G512 A572 N576	W216-T515 HydrophobicContact CZ3-CG2 4.08Å; A217-T515 HydrophobicContact CB-CG2 3.97Å; Y511-T515 HydrophobicContact CD1-CG2 4.33Å; Y511-T515 HydrophobicContact CD2-CG2 4.19Å; Y511-T515 HydrophobicContact CE1-CG2 3.93Å; Y511-T515 HydrophobicContact CE2-CG2 3.76Å; Y511-T515 HydrophobicContact CG-CG2 4.46Å; Y511-T515 PolarHBondContact O-N 2.81Å; Y511-T515 PolarHBondContact O-OG1 2.97Å; Y511-T515 VanDerWaalsContact O-OG1 3.1Å; G512-T515 PolarHBondContact O-N 2.74Å; T515-A572 WeakPolarHBondContact O-CB 3.5Å; T515-N576 PolarHBondContact O-ND2 3.09Å
516	L	94.2	Very high	92.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-75.7	-37.7	-172.4	-70.6	162.5	0	0	0	113.3	F379 Y383 G512 I568 L571 A572 T575 N576	F379-L516 HydrophobicContact CE2-CD1 3.99Å; F379-L516 HydrophobicContact CZ-CD1 4.24Å; Y383-L516 HydrophobicContact CD1-CD1 4.23Å; Y383-L516 HydrophobicContact CD2-CD1 4.48Å; Y383-L516 HydrophobicContact CE1-CD1 4.01Å; Y383-L516 HydrophobicContact CE2-CD1 4.33Å; Y383-L516 HydrophobicContact CG-CD1 4.48Å; G512-L516 VanDerWaalsContact O-CB 3.24Å; G512-L516 WeakPolarHBondContact O-CB 3.43Å; G512-L516 WeakPolarHBondContact O-CD1 3.45Å; G512-L516 WeakPolarHBondContact O-CG 3.28Å; G512-L516 PolarHBondContact O-N 2.94Å; L516-I568 HydrophobicContact CD1-CG2 4.44Å; L516-I568 HydrophobicContact CG-CG2 4.42Å; L516-L571 HydrophobicContact CD2-CB 4.06Å; L516-L571 HydrophobicContact CD2-CD2 3.97Å; L516-L571 HydrophobicContact CD2-CG 3.72Å; L516-A572 HydrophobicContact CD2-CB 4.14Å; L516-A572 HydrophobicContact CG-CB 4.49Å; L516-T575 HydrophobicContact CB-CG2 4.42Å; L516-T575 WeakPolarHBondContact O-CG2 3.3Å; L516-N576 PolarHBondContact O-OD1 2.63Å
517	F	93.5	Very high	93.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-120.8	24.7	-170.2	-63.6	-78.6	0	0	0	112.7	Y383 L386 F387 A390 L424 L428 A519 A520 F521 T575	Y383-F517 HydrophobicContact CD1-CD2 4.36Å; Y383-F517 AromaticContact CD1-CE2 3.73Å; Y383-F517 HydrophobicContact CD1-CE2 3.73Å; Y383-F517 HydrophobicContact CE1-CE2 4.41Å; L386-F517 HydrophobicContact CB-CE1 3.97Å; L386-F517 HydrophobicContact CB-CE2 3.91Å; L386-F517 HydrophobicContact CB-CZ 3.58Å; L386-F517 HydrophobicContact CD1-CD2 4.11Å; L386-F517 HydrophobicContact CD1-CE2 3.97Å; F387-F517 HydrophobicContact CD1-CE1 4.35Å; F387-F517 AromaticContact CD1-CZ 3.82Å; F387-F517 HydrophobicContact CD1-CZ 3.82Å; F387-F517 HydrophobicContact CE1-CE1 4.47Å; F387-F517 AromaticContact CE1-CZ 3.78Å; F387-F517 HydrophobicContact CE1-CZ 3.78Å; F387-F517 HydrophobicContact CG-CZ 4.3Å; F387-F517 HydrophobicContact CZ-CZ 4.22Å; A390-F517 HydrophobicContact CB-CE1 4.33Å; L424-F517 HydrophobicContact CD1-CD1 4.29Å; L424-F517 HydrophobicContact CD1-CE1 4.43Å; L424-F517 HydrophobicContact CD2-CD1 4.27Å; L428-F517 HydrophobicContact CD1-CB 4.42Å; L428-F517 HydrophobicContact CD2-CB 4Å; F517-A519 VanDerWaalsContact C-N 3.28Å; F517-A519 PolarHBondContact O-N 3.32Å; F517-A520 WeakPolarHBondContact O-CB 3.44Å; F517-A520 PolarHBondContact O-N 3.26Å; F517-F521 PolarHBondContact O-N 3.11Å; F517-T575 HydrophobicContact CE1-CG2 4.21Å; F517-T575 HydrophobicContact CZ-CG2 4.45Å
518	V	93.8	Very high	93.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.1	-177	72	0	0	0	0	113.2	F209 A210 M213 V514 A520 F521	F209-V518 HydrophobicContact CD1-CG2 4Å; F209-V518 HydrophobicContact CE1-CG2 3.44Å; F209-V518 VanDerWaalsContact CE1-CG2 3.44Å; F209-V518 HydrophobicContact CZ-CG2 4.29Å; A210-V518 HydrophobicContact CB-CG1 4.29Å; M213-V518 HydrophobicContact CB-CG1 3.68Å; M213-V518 HydrophobicContact CB-CG2 4.35Å; M213-V518 HydrophobicContact CE-CG2 4.38Å; M213-V518 HydrophobicContact CG-CB 4.5Å; M213-V518 HydrophobicContact CG-CG1 4.07Å; M213-V518 HydrophobicContact CG-CG2 3.81Å; V514-V518 WeakPolarHBondContact O-CB 3.45Å; V518-A520 PolarHBondContact O-N 3.34Å; V518-F521 CarbonylContact O-C 3.57Å; V518-F521 PolarHBondContact O-N 3.49Å
519	A	90.7	Very high	93.4	Very high	6 Å²	6	9.5 Å²	9.5	5%	0.05	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.9	171.2	0	0	0	0	0	112.1	A210 M421 F517 V579 I580	A210-A519 HydrophobicContact CB-CB 3.86Å; M421-A519 WeakPolarHBondContact CE-O 3.39Å; F517-A519 VanDerWaalsContact C-N 3.28Å; F517-A519 PolarHBondContact O-N 3.32Å; A519-V579 HydrophobicContact CB-CB 4.38Å; A519-V579 HydrophobicContact CB-CG1 3.87Å; A519-I580 HydrophobicContact CB-CD1 4.38Å; A519-I580 HydrophobicContact CB-CG1 3.92Å
520	A	88.6	Confident	93.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-30.9	177.1	0	0	0	0	0	113	M421 L424 F517 V518	M421-A520 WeakPolarHBondContact CE-O 3.33Å; L424-A520 HydrophobicContact CD2-CB 3.59Å; L424-A520 HydrophobicContact CG-CB 4.01Å; F517-A520 WeakPolarHBondContact O-CB 3.44Å; F517-A520 PolarHBondContact O-N 3.26Å; V518-A520 PolarHBondContact O-N 3.34Å
521	F	90.3	Very high	93.5	Very high	8 Å²	8	14.5 Å²	14.5	4%	0.035	8%	0.077	C	C	.	.			trans	-140.8	88.3	-174.6	-172.9	-135.6	0	0	0	112.2	L425 L428 F517 V518 L523 A524 F527	L425-F521 HydrophobicContact CD1-CD2 3.77Å; L425-F521 HydrophobicContact CD1-CE2 4.37Å; L425-F521 HydrophobicContact CG-CD2 3.9Å; L425-F521 HydrophobicContact CG-CE2 4.4Å; L428-F521 HydrophobicContact CD2-CB 3.54Å; L428-F521 HydrophobicContact CD2-CD1 3.9Å; L428-F521 HydrophobicContact CD2-CG 4.15Å; F517-F521 PolarHBondContact O-N 3.11Å; V518-F521 CarbonylContact O-C 3.57Å; V518-F521 PolarHBondContact O-N 3.49Å; F521-L523 HydrophobicContact CD2-CB 4.21Å; F521-L523 HydrophobicContact CE1-CB 4.32Å; F521-L523 HydrophobicContact CE2-CB 3.64Å; F521-L523 HydrophobicContact CE2-CD1 4.19Å; F521-L523 HydrophobicContact CE2-CG 4.3Å; F521-L523 HydrophobicContact CZ-CB 3.71Å; F521-L523 PolarHBondContact O-N 3.43Å; F521-L523 VanDerWaalsContact O-N 3.15Å; F521-A524 HydrophobicContact CD1-CB 3.54Å; F521-A524 HydrophobicContact CE1-CB 4.17Å; F521-A524 HydrophobicContact CG-CB 4.33Å; F521-A524 VanDerWaalsContact O-CB 3.32Å; F521-A524 WeakPolarHBondContact O-CB 3.5Å; F521-A524 PolarHBondContact O-N 2.93Å; F521-F527 AromaticContact CE1-CD2 3.72Å; F521-F527 HydrophobicContact CE1-CD2 3.72Å; F521-F527 HydrophobicContact CE1-CE2 4.14Å; F521-F527 HydrophobicContact CE2-CE2 4.37Å; F521-F527 AromaticContact CZ-CD2 3.52Å; F521-F527 HydrophobicContact CZ-CD2 3.52Å; F521-F527 AromaticContact CZ-CE2 3.44Å; F521-F527 HydrophobicContact CZ-CE2 3.44Å; F521-F527 VanDerWaalsContact CZ-CE2 3.44Å
522	P	92.7	Very high	93.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.5	-179.7	26.7	-38.1	0	0	0	114.1	G145 V149 F201 T206 F209 A524 P525	G145-P522 WeakPolarHBondContact CA-O 3.4Å; V149-P522 HydrophobicContact CG2-CB 4.15Å; V149-P522 HydrophobicContact CG2-CG 3.44Å; V149-P522 VanDerWaalsContact CG2-CG 3.44Å; F201-P522 HydrophobicContact CD1-CG 4.08Å; T206-P522 HydrophobicContact CG2-CB 4.2Å; T206-P522 HydrophobicContact CG2-CG 3.92Å; F209-P522 HydrophobicContact CD1-CB 3.96Å; F209-P522 HydrophobicContact CE1-CB 4.03Å; P522-A524 VanDerWaalsContact C-N 3.35Å; P522-P525 VanDerWaalsContact O-CD 3.29Å; P522-P525 WeakPolarHBondContact O-CD 3.5Å
523	L	93.2	Very high	93.4	Very high	35 Å²	35	16.7 Å²	16.7	18%	0.183	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.3	175.5	-60.8	174	0	0	0	113.6	V146 V149 F201 F521 P525 A526 F527	V146-L523 HydrophobicContact CG2-CD2 3.98Å; V149-L523 HydrophobicContact CB-CD2 4.18Å; V149-L523 HydrophobicContact CG2-CD1 4.4Å; V149-L523 HydrophobicContact CG2-CD2 3.8Å; V149-L523 HydrophobicContact CG2-CG 3.81Å; F201-L523 HydrophobicContact CE1-CD1 4.06Å; F521-L523 HydrophobicContact CD2-CB 4.21Å; F521-L523 HydrophobicContact CE1-CB 4.32Å; F521-L523 HydrophobicContact CE2-CB 3.64Å; F521-L523 HydrophobicContact CE2-CD1 4.19Å; F521-L523 HydrophobicContact CE2-CG 4.3Å; F521-L523 HydrophobicContact CZ-CB 3.71Å; F521-L523 PolarHBondContact O-N 3.43Å; F521-L523 VanDerWaalsContact O-N 3.15Å; L523-P525 VanDerWaalsContact C-CD 3.41Å; L523-P525 VanDerWaalsContact C-N 3.33Å; L523-A526 WeakPolarHBondContact O-CB 3.36Å; L523-A526 PolarHBondContact O-N 3.34Å; L523-F527 HydrophobicContact CB-CD2 4.08Å; L523-F527 HydrophobicContact CB-CE2 3.9Å; L523-F527 HydrophobicContact CD1-CE2 4.41Å; L523-F527 WeakPolarHBondContact O-CD2 3.48Å; L523-F527 PolarHBondContact O-N 3.23Å; L523-F527 VanDerWaalsContact O-N 3.15Å
524	A	93.8	Very high	93.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-50.8	-46.2	179.1	0	0	0	0	0	113	M432 V514 F521 P522 A526 F527 A528	M432-A524 HydrophobicContact CE-CB 4.45Å; M432-A524 VanDerWaalsContact CE-O 3.23Å; M432-A524 WeakPolarHBondContact CE-O 3.28Å; M432-A524 HydrophobicContact SD-CB 4.22Å; V514-A524 HydrophobicContact CG2-CB 4.47Å; F521-A524 HydrophobicContact CD1-CB 3.54Å; F521-A524 HydrophobicContact CE1-CB 4.17Å; F521-A524 HydrophobicContact CG-CB 4.33Å; F521-A524 VanDerWaalsContact O-CB 3.32Å; F521-A524 WeakPolarHBondContact O-CB 3.5Å; F521-A524 PolarHBondContact O-N 2.93Å; P522-A524 VanDerWaalsContact C-N 3.35Å; A524-A526 VanDerWaalsContact C-N 3.3Å; A524-A526 PolarHBondContact O-N 3.28Å; A524-F527 PolarHBondContact O-N 3.05Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3.38Å
525	P	95.4	Very high	93.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-35.5	178.4	-17.5	29.9	0	0	0	112.9	L138 V141 S142 F209 M213 V514 P522 L523 A528 L529	L138-P525 HydrophobicContact CD2-CB 4.21Å; V141-P525 HydrophobicContact CG2-CB 4.04Å; S142-P525 VanDerWaalsContact OG-C 3.22Å; S142-P525 PolarHBondContact OG-O 3.19Å; S142-P525 VanDerWaalsContact OG-O 3.06Å; F209-P525 HydrophobicContact CE1-CG 4.48Å; F209-P525 HydrophobicContact CZ-CG 4.09Å; M213-P525 HydrophobicContact CE-CG 4.21Å; V514-P525 HydrophobicContact CG1-CB 4.22Å; V514-P525 HydrophobicContact CG1-CG 4Å; P522-P525 VanDerWaalsContact O-CD 3.29Å; P522-P525 WeakPolarHBondContact O-CD 3.5Å; L523-P525 VanDerWaalsContact C-CD 3.41Å; L523-P525 VanDerWaalsContact C-N 3.33Å; P525-A528 WeakPolarHBondContact O-CB 3.21Å; P525-A528 PolarHBondContact O-N 3.45Å; P525-L529 WeakPolarHBondContact O-CB 3.13Å; P525-L529 PolarHBondContact O-N 2.9Å
526	A	95.2	Very high	92.9	Very high	26 Å²	26	20.6 Å²	20.6	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-68	-43.5	179.8	0	0	0	0	0	112	S142 V146 L523 A524 A528 L529 L530	S142-A526 PolarHBondContact OG-N 2.84Å; V146-A526 HydrophobicContact CG2-CB 4.08Å; L523-A526 WeakPolarHBondContact O-CB 3.36Å; L523-A526 PolarHBondContact O-N 3.34Å; A524-A526 VanDerWaalsContact C-N 3.3Å; A524-A526 PolarHBondContact O-N 3.28Å; A526-A528 VanDerWaalsContact C-N 3.31Å; A526-A528 PolarHBondContact O-N 3.23Å; A526-L529 PolarHBondContact O-N 3.37Å; A526-L530 PolarHBondContact O-N 2.91Å
527	F	94.2	Very high	92.8	Very high	77 Å²	77	21 Å²	21	34%	0.338	11%	0.11	S	C	.	.	H	α-helix	trans	-64	-38.8	172.2	-74.3	-71.6	0	0	0	111.6	M432 V433 F521 L523 A524 L530 N531	M432-F527 HydrophobicContact CE-CB 4.33Å; V433-F527 HydrophobicContact CG2-CB 4.46Å; V433-F527 HydrophobicContact CG2-CD1 4.05Å; V433-F527 HydrophobicContact CG2-CE1 4.48Å; V433-F527 HydrophobicContact CG2-CG 4.12Å; F521-F527 AromaticContact CE1-CD2 3.72Å; F521-F527 HydrophobicContact CE1-CD2 3.72Å; F521-F527 HydrophobicContact CE1-CE2 4.14Å; F521-F527 HydrophobicContact CE2-CE2 4.37Å; F521-F527 AromaticContact CZ-CD2 3.52Å; F521-F527 HydrophobicContact CZ-CD2 3.52Å; F521-F527 AromaticContact CZ-CE2 3.44Å; F521-F527 HydrophobicContact CZ-CE2 3.44Å; F521-F527 VanDerWaalsContact CZ-CE2 3.44Å; L523-F527 HydrophobicContact CB-CD2 4.08Å; L523-F527 HydrophobicContact CB-CE2 3.9Å; L523-F527 HydrophobicContact CD1-CE2 4.41Å; L523-F527 WeakPolarHBondContact O-CD2 3.48Å; L523-F527 PolarHBondContact O-N 3.23Å; L523-F527 VanDerWaalsContact O-N 3.15Å; A524-F527 PolarHBondContact O-N 3.05Å; F527-L530 PolarHBondContact O-N 3.12Å; F527-N531 WeakPolarHBondContact O-CB 3.26Å; F527-N531 PolarHBondContact O-N 3.34Å
528	A	94.9	Very high	92.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-41.1	175.4	0	0	0	0	0	112.8	L138 M432 Q510 V514 A524 P525 A526 N531 N532	L138-A528 HydrophobicContact CD1-CB 4.06Å; M432-A528 HydrophobicContact CE-CB 3.72Å; Q510-A528 HydrophobicContact CG-CB 3.99Å; Q510-A528 VanDerWaalsContact NE2-CB 3.25Å; Q510-A528 PolarHBondContact NE2-O 2.92Å; V514-A528 HydrophobicContact CG2-CB 3.54Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3.38Å; P525-A528 WeakPolarHBondContact O-CB 3.21Å; P525-A528 PolarHBondContact O-N 3.45Å; A526-A528 VanDerWaalsContact C-N 3.31Å; A526-A528 PolarHBondContact O-N 3.23Å; A528-N531 PolarHBondContact O-N 3.39Å; A528-N532 WeakPolarHBondContact O-CB 3.29Å; A528-N532 VanDerWaalsContact O-CG 3.23Å; A528-N532 PolarHBondContact O-N 3.25Å; A528-N532 PolarHBondContact O-OD1 3.11Å
529	L	95.3	Very high	92.4	Very high	30 Å²	30	21 Å²	21	16%	0.157	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-47.1	176.2	179.4	67	0	0	0	111	T135 L138 P525 A526 N531 N532 I533	T135-L529 HydrophobicContact CG2-CD1 3.73Å; T135-L529 WeakPolarHBondContact O-CD1 3.36Å; L138-L529 HydrophobicContact CB-CB 4.42Å; L138-L529 HydrophobicContact CB-CD1 4.13Å; P525-L529 WeakPolarHBondContact O-CB 3.13Å; P525-L529 PolarHBondContact O-N 2.9Å; A526-L529 PolarHBondContact O-N 3.37Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-N531 PolarHBondContact O-N 3.11Å; L529-N532 PolarHBondContact O-N 2.8Å; L529-I533 HydrophobicContact CD1-CD1 4.4Å; L529-I533 HydrophobicContact CG-CD1 4.13Å; L529-I533 WeakPolarHBondContact O-CG1 3.28Å; L529-I533 PolarHBondContact O-N 2.87Å
530	L	93.7	Very high	92.5	Very high	101 Å²	101	20.8 Å²	20.8	53%	0.529	11%	0.108	S	C	.	.	H	α-helix	trans	-59.1	-46.4	176.8	-179.1	64.8	0	0	0	111.3	A526 F527 N532 I533 I534	A526-L530 PolarHBondContact O-N 2.91Å; F527-L530 PolarHBondContact O-N 3.12Å; L530-N532 PolarHBondContact O-N 2.97Å; L530-I533 PolarHBondContact O-N 3.5Å; L530-I534 HydrophobicContact CG-CD1 4.44Å; L530-I534 WeakPolarHBondContact O-CG1 3.39Å; L530-I534 PolarHBondContact O-N 3.21Å
531	N	92.6	Very high	92.6	Very high	15 Å²	15	23.5 Å²	23.5	8%	0.08	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-45.1	176.8	-172.2	62.5	0	0	0	111.6	Q436 N440 F527 A528 L529 I533 I534 E535	Q436-N531 HydrophobicContact CG-CB 4.42Å; N440-N531 PolarHBondContact ND2-OD1 3.15Å; F527-N531 WeakPolarHBondContact O-CB 3.26Å; F527-N531 PolarHBondContact O-N 3.34Å; A528-N531 PolarHBondContact O-N 3.39Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-N531 PolarHBondContact O-N 3.11Å; N531-I533 VanDerWaalsContact C-N 3.35Å; N531-I533 PolarHBondContact O-N 2.96Å; N531-I534 PolarHBondContact O-N 2.92Å; N531-E535 VanDerWaalsContact O-CB 3.29Å; N531-E535 WeakPolarHBondContact O-CB 3.48Å; N531-E535 PolarHBondContact O-N 3.06Å
532	N	93.2	Very high	92.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-36	180	-72.3	4.4	0	0	0	113.3	Y134 T135 L138 Q510 A528 L529 L530 I534 E535 V536	Y134-N532 WeakPolarHBondContact CD1-ND2 3.32Å; Y134-N532 VanDerWaalsContact CE1-ND2 3.28Å; Y134-N532 WeakPolarHBondContact CE1-ND2 3.28Å; T135-N532 HydrophobicContact CG2-CB 4.07Å; T135-N532 WeakPolarHBondContact OG1-CB 3.39Å; L138-N532 WeakPolarHBondContact CD1-ND2 3.4Å; Q510-N532 VanDerWaalsContact CD-OD1 3.28Å; Q510-N532 PolarHBondContact NE2-OD1 3.23Å; Q510-N532 PolarHBondContact OE1-OD1 3.4Å; A528-N532 WeakPolarHBondContact O-CB 3.29Å; A528-N532 VanDerWaalsContact O-CG 3.23Å; A528-N532 PolarHBondContact O-N 3.25Å; A528-N532 PolarHBondContact O-OD1 3.11Å; L529-N532 PolarHBondContact O-N 2.8Å; L530-N532 PolarHBondContact O-N 2.97Å; N532-I534 VanDerWaalsContact C-N 3.28Å; N532-I534 PolarHBondContact O-N 3.43Å; N532-E535 PolarHBondContact O-N 3.41Å; N532-V536 WeakPolarHBondContact O-CG2 3.42Å; N532-V536 PolarHBondContact O-N 3.34Å
533	I	93.1	Very high	92.2	Very high	47 Å²	47	23.8 Å²	23.8	24%	0.241	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-41.3	175.8	-70.4	166.5	0	0	0	110.5	W107 T135 L529 L530 N531	W107-I533 HydrophobicContact CB-CG2 4.36Å; W107-I533 HydrophobicContact CD2-CG2 4.39Å; W107-I533 HydrophobicContact CE3-CG2 3.77Å; W107-I533 HydrophobicContact CZ3-CD1 4.48Å; W107-I533 HydrophobicContact CZ3-CG2 4.47Å; T135-I533 HydrophobicContact CG2-CG1 4.29Å; L529-I533 HydrophobicContact CD1-CD1 4.4Å; L529-I533 HydrophobicContact CG-CD1 4.13Å; L529-I533 WeakPolarHBondContact O-CG1 3.28Å; L529-I533 PolarHBondContact O-N 2.87Å; L530-I533 PolarHBondContact O-N 3.5Å; N531-I533 VanDerWaalsContact C-N 3.35Å; N531-I533 PolarHBondContact O-N 2.96Å
534	I	91.2	Very high	92	Very high	67 Å²	67	22.1 Å²	22.1	34%	0.344	11%	0.111	S	C	.	.	H	α-helix	trans	-69.5	-49.8	175.7	-63.4	169.3	0	0	0	109.7	L530 N531 N532 V536 R537 V538	L530-I534 HydrophobicContact CG-CD1 4.44Å; L530-I534 WeakPolarHBondContact O-CG1 3.39Å; L530-I534 PolarHBondContact O-N 3.21Å; N531-I534 PolarHBondContact O-N 2.92Å; N532-I534 VanDerWaalsContact C-N 3.28Å; N532-I534 PolarHBondContact O-N 3.43Å; I534-V536 PolarHBondContact O-N 3Å; I534-R537 PolarHBondContact O-N 3.05Å; I534-V538 HydrophobicContact CG2-CG2 3.75Å; I534-V538 WeakPolarHBondContact O-CG2 3.38Å; I534-V538 PolarHBondContact O-N 3.4Å
535	E	90	Very high	91.8	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-55.1	-47.8	-176.3	-167.1	73.4	171.6	0	0	111.9	L131 N440 N531 N532 R537 V538 D539	L131-E535 HydrophobicContact CD2-CG 4.45Å; N440-E535 PolarHBondContact OD1-OE2 3.43Å; N531-E535 VanDerWaalsContact O-CB 3.29Å; N531-E535 WeakPolarHBondContact O-CB 3.48Å; N531-E535 PolarHBondContact O-N 3.06Å; N532-E535 PolarHBondContact O-N 3.41Å; E535-R537 PolarHBondContact O-N 3.49Å; E535-V538 PolarHBondContact O-N 3.32Å; E535-D539 VanDerWaalsContact O-CB 3.27Å; E535-D539 WeakPolarHBondContact O-CB 3.41Å; E535-D539 PolarHBondContact O-N 3.35Å
536	V	92.1	Very high	91.3	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-51.1	-38.6	177.7	167.4	0	0	0	0	111.5	Q111 L131 N532 I534 A540	Q111-V536 HydrophobicContact CG-CG1 4.06Å; L131-V536 HydrophobicContact CD2-CB 4.23Å; L131-V536 HydrophobicContact CD2-CG2 3.39Å; L131-V536 HydrophobicContact CG-CG2 3.68Å; N532-V536 WeakPolarHBondContact O-CG2 3.42Å; N532-V536 PolarHBondContact O-N 3.34Å; I534-V536 PolarHBondContact O-N 3Å; V536-A540 VanDerWaalsContact O-CB 3.29Å; V536-A540 WeakPolarHBondContact O-CB 3.47Å; V536-A540 PolarHBondContact O-N 3.38Å
537	R	92.5	Very high	90.8	Very high	8 Å²	8	22.5 Å²	22.5	3%	0.03	11%	0.109	C	C	.	.	H	α-helix	trans	-86.1	-39.3	-177	-55.8	-58.7	169.4	172.9	2	112.3	W101 F104 R106 W107 D109 I534 E535 D539 A540 Y541	W101-R537 VanDerWaalsContact O-CD 3.31Å; W101-R537 WeakPolarHBondContact O-CD 3.35Å; W101-R537 PolarHBondContact O-NH1 3.37Å; F104-R537 HydrophobicContact CD1-CB 3.8Å; F104-R537 HydrophobicContact CE1-CB 3.8Å; R106-R537 PolarHBondContact O-NH1 3.16Å; R106-R537 PolarHBondContact O-NH2 3.02Å; W107-R537 VanDerWaalsContact C-NH2 3.29Å; W107-R537 PolarHBondContact O-NH2 3.33Å; D109-R537 PolarHBondContact O-NH2 3.07Å; I534-R537 PolarHBondContact O-N 3.05Å; E535-R537 PolarHBondContact O-N 3.49Å; R537-D539 VanDerWaalsContact C-N 3.34Å; R537-A540 PolarHBondContact O-N 2.94Å; R537-Y541 WeakPolarHBondContact O-CB 3.16Å; R537-Y541 PolarHBondContact O-N 3.21Å
538	V	89.8	Confident	90.4	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-46.2	174.2	177.6	0	0	0	0	110.2	F104 E443 I444 I534 E535 Y541 K542	F104-V538 HydrophobicContact CE1-CG2 3.81Å; F104-V538 HydrophobicContact CZ-CG2 3.96Å; E443-V538 HydrophobicContact CG-CG1 3.89Å; E443-V538 WeakPolarHBondContact OE1-CG1 3.02Å; I444-V538 HydrophobicContact CD1-CG1 4.25Å; I444-V538 HydrophobicContact CD1-CG2 3.73Å; I444-V538 HydrophobicContact CG1-CB 4.45Å; I444-V538 HydrophobicContact CG1-CG1 3.57Å; I444-V538 HydrophobicContact CG1-CG2 3.97Å; I534-V538 HydrophobicContact CG2-CG2 3.75Å; I534-V538 WeakPolarHBondContact O-CG2 3.38Å; I534-V538 PolarHBondContact O-N 3.4Å; E535-V538 PolarHBondContact O-N 3.32Å; V538-Y541 PolarHBondContact O-N 3.34Å; V538-K542 WeakPolarHBondContact O-CG 3.27Å; V538-K542 PolarHBondContact O-N 3.42Å
539	D	88.8	Confident	90.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.1	-47	175.3	-85.3	-34	0	0	0	112.9	Y127 F128 L503 E535 R537 Y541 K542 Y543	Y127-D539 WeakPolarHBondContact CE1-OD2 3.05Å; Y127-D539 PolarHBondContact OH-OD2 3.38Å; F128-D539 HydrophobicContact CE1-CB 3.61Å; F128-D539 HydrophobicContact CZ-CB 3.68Å; L503-D539 WeakPolarHBondContact CD2-OD1 3.11Å; E535-D539 VanDerWaalsContact O-CB 3.27Å; E535-D539 WeakPolarHBondContact O-CB 3.41Å; E535-D539 PolarHBondContact O-N 3.35Å; R537-D539 VanDerWaalsContact C-N 3.34Å; D539-Y541 VanDerWaalsContact C-N 3.29Å; D539-Y541 PolarHBondContact O-N 3.03Å; D539-K542 WeakPolarHBondContact O-CB 3.26Å; D539-K542 PolarHBondContact O-N 2.03Å; D539-K542 WeakPolarHBondContact OD1-CE 3.44Å; D539-K542 IonicContact OD1-NZ 2.99Å; D539-K542 PolarHBondContact OD1-NZ 2.82Å; D539-Y543 VanDerWaalsContact O-CD2 3.25Å; D539-Y543 WeakPolarHBondContact O-CD2 3.36Å; D539-Y543 PolarHBondContact O-N 3.3Å; D539-Y543 VanDerWaalsContact O-N 3.17Å
540	A	92.1	Very high	89.6	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.9	-44.4	175.9	0	0	0	0	0	111.3	W101 A102 V536 R537 Y543 V544	W101-A540 HydrophobicContact CD2-CB 3.56Å; W101-A540 VanDerWaalsContact CE2-CB 3.49Å; W101-A540 HydrophobicContact CE3-CB 3.75Å; W101-A540 HydrophobicContact CG-CB 4.17Å; W101-A540 HydrophobicContact CH2-CB 3.9Å; W101-A540 HydrophobicContact CZ2-CB 3.7Å; W101-A540 HydrophobicContact CZ3-CB 3.91Å; A102-A540 HydrophobicContact CB-CB 4Å; V536-A540 VanDerWaalsContact O-CB 3.29Å; V536-A540 WeakPolarHBondContact O-CB 3.47Å; V536-A540 PolarHBondContact O-N 3.38Å; R537-A540 PolarHBondContact O-N 2.94Å; A540-Y543 PolarHBondContact O-N 3.47Å; A540-V544 WeakPolarHBondContact O-CB 3.08Å; A540-V544 VanDerWaalsContact O-CG2 3.3Å; A540-V544 WeakPolarHBondContact O-CG2 3.45Å; A540-V544 PolarHBondContact O-N 3.44Å
541	Y	90.6	Very high	89.2	Confident	57 Å²	57	18 Å²	18	22%	0.224	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-42.3	178.1	-172.2	-88.1	0	0	0	112.4	F98 F104 L448 R537 V538 D539 Y543 V544 V545	F98-Y541 HydrophobicContact CE2-CD2 4.46Å; F98-Y541 HydrophobicContact CE2-CE2 4.22Å; F104-Y541 HydrophobicContact CE2-CD2 4.22Å; F104-Y541 HydrophobicContact CE2-CG 4.29Å; L448-Y541 HydrophobicContact CD2-CE1 3.96Å; R537-Y541 WeakPolarHBondContact O-CB 3.16Å; R537-Y541 PolarHBondContact O-N 3.21Å; V538-Y541 PolarHBondContact O-N 3.34Å; D539-Y541 VanDerWaalsContact C-N 3.29Å; D539-Y541 PolarHBondContact O-N 3.03Å; Y541-Y543 PolarHBondContact O-N 2.91Å; Y541-V544 PolarHBondContact O-N 2.84Å; Y541-V545 HydrophobicContact CD1-CB 4.42Å; Y541-V545 HydrophobicContact CD2-CG2 4.09Å; Y541-V545 HydrophobicContact CE1-CB 4.07Å; Y541-V545 HydrophobicContact CE1-CG1 4.19Å; Y541-V545 HydrophobicContact CE2-CB 4.21Å; Y541-V545 HydrophobicContact CE2-CG1 4.39Å; Y541-V545 HydrophobicContact CE2-CG2 3.86Å; Y541-V545 WeakPolarHBondContact O-CB 3.32Å; Y541-V545 PolarHBondContact O-N 3.36Å
542	K	86.3	Confident	88.9	Confident	12 Å²	12	17.7 Å²	17.7	5%	0.052	9%	0.085	C	C	.	.	I	π-helix	trans	-55.9	-50.4	175.8	-80.1	-174.2	-63.7	175.6	0	112.1	E443 V538 D539 S546 Y547	E443-K542 VanDerWaalsContact CD-CE 3.45Å; E443-K542 HydrophobicContact CG-CD 3.48Å; E443-K542 VanDerWaalsContact CG-CD 3.48Å; E443-K542 WeakPolarHBondContact OE1-CE 3.23Å; E443-K542 IonicContact OE1-NZ 3.49Å; E443-K542 PolarHBondContact OE1-NZ 2.72Å; E443-K542 IonicContact OE2-NZ 2.79Å; E443-K542 PolarHBondContact OE2-NZ 3.31Å; V538-K542 WeakPolarHBondContact O-CG 3.27Å; V538-K542 PolarHBondContact O-N 3.42Å; D539-K542 WeakPolarHBondContact O-CB 3.26Å; D539-K542 PolarHBondContact O-N 2.03Å; D539-K542 WeakPolarHBondContact OD1-CE 3.44Å; D539-K542 IonicContact OD1-NZ 2.99Å; D539-K542 PolarHBondContact OD1-NZ 2.82Å; K542-S546 PolarHBondContact O-N 3.36Å; K542-S546 VanDerWaalsContact O-N 3.09Å; K542-Y547 HydrophobicContact CB-CD2 3.97Å; K542-Y547 HydrophobicContact CB-CE2 3.63Å; K542-Y547 HydrophobicContact CD-CE2 3.92Å; K542-Y547 HydrophobicContact CG-CE2 4.08Å; K542-Y547 PolarHBondContact O-N 3.47Å
543	Y	87.6	Confident	88.3	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.008	10%	0.097	C	C	.	.	I	π-helix	trans	-71.8	-33.7	-178.1	-77.6	-72	0	0	0	113.9	F120 I124 F128 S499 L503 D539 A540 Y541 P550	F120-Y543 WeakPolarHBondContact CZ-O 3.33Å; I124-Y543 HydrophobicContact CD1-CD1 4.35Å; I124-Y543 HydrophobicContact CD1-CE1 3.86Å; I124-Y543 HydrophobicContact CG1-CE1 4.38Å; I124-Y543 HydrophobicContact CG2-CE2 4.42Å; F128-Y543 HydrophobicContact CE2-CD2 4Å; F128-Y543 HydrophobicContact CE2-CE2 4.11Å; F128-Y543 AromaticContact CZ-CD2 3.97Å; F128-Y543 HydrophobicContact CZ-CD2 3.97Å; F128-Y543 HydrophobicContact CZ-CE2 4.18Å; S499-Y543 WeakPolarHBondContact CB-OH 3.37Å; S499-Y543 PolarHBondContact OG-OH 2.71Å; L503-Y543 HydrophobicContact CD1-CE2 3.89Å; L503-Y543 WeakPolarHBondContact CD1-OH 3.49Å; D539-Y543 VanDerWaalsContact O-CD2 3.25Å; D539-Y543 WeakPolarHBondContact O-CD2 3.36Å; D539-Y543 PolarHBondContact O-N 3.3Å; D539-Y543 VanDerWaalsContact O-N 3.17Å; A540-Y543 PolarHBondContact O-N 3.47Å; Y541-Y543 PolarHBondContact O-N 2.91Å; Y543-P550 HydrophobicContact CD1-CG 4.03Å; Y543-P550 HydrophobicContact CE1-CG 4.14Å
544	V	90.4	Very high	87.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	I	π-helix	trans	-82.6	-38.2	-176.5	174.6	0	0	0	0	112.1	R94 L97 F98 W101 A102 F120 A540 Y541	R94-V544 HydrophobicContact CG-CG1 4.19Å; R94-V544 PolarHBondContact NE-O 2.93Å; R94-V544 PolarHBondContact NH2-O 3.41Å; L97-V544 HydrophobicContact CB-CG2 4.19Å; F98-V544 HydrophobicContact CB-CG1 3.9Å; F98-V544 HydrophobicContact CD2-CG1 4.1Å; F98-V544 HydrophobicContact CG-CG1 4.47Å; W101-V544 HydrophobicContact CE3-CG2 4.34Å; W101-V544 HydrophobicContact CZ3-CG2 4.2Å; A102-V544 HydrophobicContact CB-CB 4.11Å; A102-V544 HydrophobicContact CB-CG1 4.47Å; A102-V544 HydrophobicContact CB-CG2 4.08Å; F120-V544 HydrophobicContact CE2-CG2 4.26Å; F120-V544 HydrophobicContact CZ-CG2 4.15Å; A540-V544 WeakPolarHBondContact O-CB 3.08Å; A540-V544 VanDerWaalsContact O-CG2 3.3Å; A540-V544 WeakPolarHBondContact O-CG2 3.45Å; A540-V544 PolarHBondContact O-N 3.44Å; Y541-V544 PolarHBondContact O-N 2.84Å
545	V	88.4	Confident	87.1	Confident	12 Å²	12	20.4 Å²	20.4	7%	0.073	10%	0.098	C	C	.	.	I	π-helix	trans	-114.9	-45.1	-168.8	-177	0	0	0	0	113	Y71 F98 L475 Y541	Y71-V545 HydrophobicContact CD1-CG1 4.45Å; Y71-V545 HydrophobicContact CD1-CG2 4.46Å; Y71-V545 HydrophobicContact CD2-CG2 3.97Å; Y71-V545 HydrophobicContact CE1-CG1 4Å; Y71-V545 HydrophobicContact CE2-CG1 4.3Å; Y71-V545 HydrophobicContact CE2-CG2 4.18Å; Y71-V545 HydrophobicContact CG-CG2 4.15Å; F98-V545 HydrophobicContact CD2-CG2 3.78Å; F98-V545 HydrophobicContact CE2-CG2 3.71Å; L475-V545 WeakPolarHBondContact CD2-O 3.5Å; Y541-V545 HydrophobicContact CD1-CB 4.42Å; Y541-V545 HydrophobicContact CD2-CG2 4.09Å; Y541-V545 HydrophobicContact CE1-CB 4.07Å; Y541-V545 HydrophobicContact CE1-CG1 4.19Å; Y541-V545 HydrophobicContact CE2-CB 4.21Å; Y541-V545 HydrophobicContact CE2-CG1 4.39Å; Y541-V545 HydrophobicContact CE2-CG2 3.86Å; Y541-V545 WeakPolarHBondContact O-CB 3.32Å; Y541-V545 PolarHBondContact O-N 3.36Å
546	S	84.9	Confident	86.6	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.014	11%	0.111	C	C	.	.	I	π-helix	trans	-89.9	-33.3	-164.9	-62.9	0	0	0	0	114.5	N451 N476 K542	N451-S546 PolarHBondContact ND2-O 3.02Å; N476-S546 PolarHBondContact N-O 3.33Å; K542-S546 PolarHBondContact O-N 3.36Å; K542-S546 VanDerWaalsContact O-N 3.09Å
547	Y	85.5	Confident	86.3	Confident	20 Å²	20	26.1 Å²	26.1	8%	0.078	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-100.8	155.4	-177.7	-62.6	-37.4	0	0	0	113.1	H67 P447 N476 V478 P479 K542	H67-Y547 PolarHBondContact NE2-O 3.37Å; P447-Y547 HydrophobicContact CB-CE1 4.19Å; N476-Y547 HydrophobicContact CB-CD1 3.85Å; N476-Y547 HydrophobicContact CB-CE1 4.16Å; N476-Y547 CarbonylContact O-C 3.55Å; N476-Y547 VanDerWaalsContact O-CA 3.32Å; N476-Y547 WeakPolarHBondContact O-CA 3.32Å; V478-Y547 HydrophobicContact CG2-CG 4.41Å; P479-Y547 HydrophobicContact CG-CE1 4.05Å; P479-Y547 HydrophobicContact CG-CE2 4.03Å; P479-Y547 WeakPolarHBondContact CG-OH 3.28Å; K542-Y547 HydrophobicContact CB-CD2 3.97Å; K542-Y547 HydrophobicContact CB-CE2 3.63Å; K542-Y547 HydrophobicContact CD-CE2 3.92Å; K542-Y547 HydrophobicContact CG-CE2 4.08Å; K542-Y547 PolarHBondContact O-N 3.47Å
548	R	85.7	Confident	85.9	Confident	35 Å²	35	26.7 Å²	26.7	13%	0.132	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-59.2	149.6	160.3	-64.8	-177.2	-167.3	164.4	0.5	109.8	D472 F473 L475 N476 P550	D472-R548 VanDerWaalsContact O-CG 3.28Å; D472-R548 WeakPolarHBondContact O-CG 3.49Å; F473-R548 PolarHBondContact O-NE 2.94Å; F473-R548 PolarHBondContact O-NH2 2.62Å; L475-R548 HydrophobicContact CB-CG 3.95Å; L475-R548 PolarHBondContact O-NE 3.38Å; L475-R548 VanDerWaalsContact O-NE 3.12Å; N476-R548 PolarHBondContact O-N 3.47Å; R548-P550 WeakPolarHBondContact O-CD 3.32Å
549	R	88.2	Confident	85.5	Confident	5 Å²	5	27.8 Å²	27.8	2%	0.019	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-58.9	121.7	176.9	-169.3	178.6	-176.6	-174.2	2.7	109.8	S25 P65 L66 H67 Y119	S25-R549 PolarHBondContact OG-NH1 3.32Å; S25-R549 PolarHBondContact OG-NH2 3.27Å; P65-R549 WeakPolarHBondContact CD-O 3.48Å; P65-R549 HydrophobicContact CG-CB 4.11Å; P65-R549 HydrophobicContact CG-CG 4.15Å; P65-R549 VanDerWaalsContact CG-O 3.27Å; P65-R549 WeakPolarHBondContact CG-O 3.48Å; L66-R549 VanDerWaalsContact O-CD 3.22Å; L66-R549 WeakPolarHBondContact O-CD 3.26Å; L66-R549 PolarHBondContact O-NH1 3.37Å; H67-R549 PolarHBondContact NE2-N 2.9Å; H67-R549 VanDerWaalsContact NE2-N 3.12Å; Y119-R549 PolarHBondContact O-NE 2.82Å; Y119-R549 PolarHBondContact O-NH2 3.45Å
550	P	85.3	Confident	85.5	Confident	15 Å²	15	29.1 Å²	29.1	10%	0.097	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-68.8	152.6	176.9	25.5	-32.4	0	0	0	111.1	F120 I124 V478 Y543 R548 P552	F120-P550 HydrophobicContact CD1-CG 3.81Å; F120-P550 HydrophobicContact CE1-CG 4.4Å; I124-P550 HydrophobicContact CD1-CB 3.82Å; I124-P550 HydrophobicContact CD1-CG 3.26Å; V478-P550 HydrophobicContact CG2-CB 4.21Å; Y543-P550 HydrophobicContact CD1-CG 4.03Å; Y543-P550 HydrophobicContact CE1-CG 4.14Å; R548-P550 WeakPolarHBondContact O-CD 3.32Å; P550-P552 WeakPolarHBondContact O-CD 3.35Å
551	L	84.4	Confident	85.5	Confident	59 Å²	59	29.9 Å²	29.9	31%	0.309	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-68.2	129.4	172.9	-173.8	72.5	0	0	0	110.5	F33 A553	F33-L551 HydrophobicContact CB-CD1 3.55Å; F33-L551 HydrophobicContact CB-CD2 3.98Å; F33-L551 HydrophobicContact CB-CG 4.41Å; F33-L551 HydrophobicContact CD1-CD1 4.42Å; F33-L551 HydrophobicContact CD1-CD2 3.22Å; F33-L551 HydrophobicContact CD1-CG 4.43Å; F33-L551 HydrophobicContact CD2-CD1 4.06Å; F33-L551 HydrophobicContact CD2-CD2 3.79Å; F33-L551 HydrophobicContact CE1-CD2 3.48Å; F33-L551 VanDerWaalsContact CE1-CD2 3.48Å; F33-L551 HydrophobicContact CE2-CD2 4.03Å; F33-L551 HydrophobicContact CG-CD1 3.76Å; F33-L551 HydrophobicContact CG-CD2 3.36Å; F33-L551 HydrophobicContact CG-CG 4.21Å; F33-L551 HydrophobicContact CZ-CD2 3.88Å; L551-A553 PolarHBondContact O-N 2.92Å; L551-A553 VanDerWaalsContact O-N 3.1Å
552	P	86.9	Confident	85.6	Confident	8 Å²	8	28.3 Å²	28.3	5%	0.052	15%	0.146	C	C	.	.			trans	-69.2	107	-177.4	-25.4	38.4	0	0	0	114.1	A26 P550	A26-P552 HydrophobicContact CB-CB 3.99Å; A26-P552 HydrophobicContact CB-CG 3.62Å; A26-P552 WeakPolarHBondContact O-CG 3.48Å; P550-P552 WeakPolarHBondContact O-CD 3.35Å
553	A	79.5	Confident	86	Confident	30 Å²	30	34.8 Å²	34.8	25%	0.248	18%	0.176	C	C	.	.			trans	-92.5	153.9	173.4	0	0	0	0	0	112.8	V122 K123 L551	V122-A553 PolarHBondContact N-O 3.03Å; K123-A553 HydrophobicContact CB-CB 3.95Å; K123-A553 HydrophobicContact CD-CB 3.94Å; K123-A553 PolarHBondContact N-O 3.12Å; K123-A553 VanDerWaalsContact N-O 3.16Å; L551-A553 PolarHBondContact O-N 2.92Å; L551-A553 VanDerWaalsContact O-N 3.1Å
554	R	81	Confident	86.3	Confident	125 Å²	125	35.2 Å²	35.2	47%	0.472	18%	0.179	S	C	.	.			trans	-102.7	139.8	170.6	-84.1	171.7	-168.2	-166.2	2.8	107.3	L237	L237-R554 HydrophobicContact CD2-CG 4.35Å
555	A	79.7	Confident	86.5	Confident	16 Å²	16	35.2 Å²	35.2	13%	0.132	18%	0.179	C	C	.	.			trans	-146.9	130.5	173.4	0	0	0	0	0	107.1	V122 K123 L237	V122-A555 VanDerWaalsContact CG1-O 3.28Å; V122-A555 WeakPolarHBondContact CG1-O 3.42Å; K123-A555 HydrophobicContact CB-CB 4.07Å; K123-A555 HydrophobicContact CD-CB 4.45Å; K123-A555 HydrophobicContact CG-CB 4Å; L237-A555 WeakPolarHBondContact CD1-O 3.25Å
556	K	80	Confident	86.8	Confident	78 Å²	78	36.2 Å²	36.2	34%	0.339	19%	0.185	S	C	.	.	S	Bend	trans	-76.6	-37	179.3	178.6	178.2	176.4	174.4	0	111.7	F240	F240-K556 HydrophobicContact CD1-CB 4.22Å
557	D	84.8	Confident	87.2	Confident	62 Å²	62	38 Å²	38	33%	0.332	20%	0.203	S	C	.	.	S	Bend	trans	-144.3	179.6	-176.3	51.4	38.7	0	0	0	110.2	L126 Q228 G559	L126-D557 VanDerWaalsContact CD2-C 3.46Å; L126-D557 WeakPolarHBondContact CD2-O 3.38Å; Q228-D557 HydrophobicContact CG-CB 4.44Å; D557-G559 PolarHBondContact O-N 3.37Å; D557-G559 VanDerWaalsContact OD1-CA 3.29Å; D557-G559 WeakPolarHBondContact OD1-CA 3.43Å; D557-G559 PolarHBondContact OD1-N 3.26Å
558	L	83.5	Confident	87.6	Confident	20 Å²	20	37.1 Å²	37.1	11%	0.105	20%	0.2	C	C	.	.			trans	-70.7	-6.3	171.9	-66.4	167.8	0	0	0	112.2	L126 W130 W224 V504 W561	L126-L558 HydrophobicContact CG-CD2 4.47Å; W130-L558 HydrophobicContact CB-CD1 4.37Å; W130-L558 HydrophobicContact CB-CD2 4.37Å; W130-L558 HydrophobicContact CD2-CD1 3.8Å; W130-L558 HydrophobicContact CE3-CD1 3.8Å; W130-L558 HydrophobicContact CG-CD1 4.07Å; W130-L558 HydrophobicContact CZ3-CD1 4.35Å; W224-L558 HydrophobicContact CZ2-CD1 3.7Å; W224-L558 HydrophobicContact CZ2-CG 4.08Å; V504-L558 HydrophobicContact CG2-CD2 4.29Å; L558-W561 HydrophobicContact CB-CB 4.1Å
559	G	82.5	Confident	88	Confident	25 Å²	25	35.7 Å²	35.7	26%	0.258	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-138.1	-175.4	0	0	0	0	0	113.4	D557 W561 M562	D557-G559 PolarHBondContact O-N 3.37Å; D557-G559 VanDerWaalsContact OD1-CA 3.29Å; D557-G559 WeakPolarHBondContact OD1-CA 3.43Å; D557-G559 PolarHBondContact OD1-N 3.26Å; G559-W561 PolarHBondContact O-N 3.06Å; G559-M562 PolarHBondContact O-N 3.35Å
560	V	88.9	Confident	88.2	Confident	28 Å²	28	43.3 Å²	43.3	17%	0.17	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.4	-175.3	166.8	0	0	0	0	113.8	N368 T371 M562 H563 I564	N368-V560 HydrophobicContact CB-CG2 3.64Å; N368-V560 WeakPolarHBondContact OD1-CG2 3.49Å; T371-V560 HydrophobicContact CG2-CG1 4.45Å; V560-M562 PolarHBondContact O-N 3.02Å; V560-M562 VanDerWaalsContact O-N 3.16Å; V560-H563 PolarHBondContact O-N 3.32Å; V560-I564 HydrophobicContact CG1-CD1 3.91Å; V560-I564 HydrophobicContact CG1-CG1 4.2Å; V560-I564 PolarHBondContact O-N 2.82Å; V560-I564 VanDerWaalsContact O-N 3.13Å
561	W	92	Very high	88.6	Confident	16 Å²	16	45.5 Å²	45.5	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-33.1	177.2	-64.5	121.8	0	0	0	113.5	T371 F375 F501 V504 L505 V508 L558 G559 H563 I564 L565	T371-W561 HydrophobicContact CG2-CD2 3.89Å; T371-W561 HydrophobicContact CG2-CE3 4.01Å; T371-W561 HydrophobicContact CG2-CH2 3.61Å; T371-W561 HydrophobicContact CG2-CZ2 3.49Å; T371-W561 VanDerWaalsContact CG2-CZ2 3.49Å; T371-W561 HydrophobicContact CG2-CZ3 3.87Å; F375-W561 HydrophobicContact CB-CZ3 4.46Å; F375-W561 HydrophobicContact CD2-CZ3 4.47Å; F501-W561 HydrophobicContact CD2-CH2 4.39Å; F501-W561 AromaticContact CD2-CZ2 3.57Å; F501-W561 HydrophobicContact CD2-CZ2 3.57Å; F501-W561 AromaticContact CE2-CH2 3.81Å; F501-W561 HydrophobicContact CE2-CH2 3.81Å; F501-W561 AromaticContact CE2-CZ2 3.42Å; F501-W561 HydrophobicContact CE2-CZ2 3.42Å; F501-W561 VanDerWaalsContact CE2-CZ2 3.42Å; F501-W561 HydrophobicContact CZ-CH2 4.39Å; F501-W561 HydrophobicContact CZ-CZ2 4.34Å; V504-W561 HydrophobicContact CB-CD2 4.4Å; V504-W561 HydrophobicContact CB-CG 4.5Å; V504-W561 HydrophobicContact CB-CZ2 4.34Å; V504-W561 HydrophobicContact CG1-CB 4.08Å; V504-W561 VanDerWaalsContact CG1-CD1 3.47Å; V504-W561 HydrophobicContact CG1-CD2 3.55Å; V504-W561 HydrophobicContact CG1-CE3 4.23Å; V504-W561 HydrophobicContact CG1-CG 3.46Å; V504-W561 VanDerWaalsContact CG1-CG 3.46Å; V504-W561 HydrophobicContact CG1-CZ2 4.32Å; L505-W561 HydrophobicContact CB-CH2 3.59Å; L505-W561 HydrophobicContact CB-CZ2 4.1Å; L505-W561 HydrophobicContact CB-CZ3 4.44Å; L505-W561 HydrophobicContact CD1-CH2 3.62Å; L505-W561 HydrophobicContact CD1-CZ3 4.01Å; L505-W561 HydrophobicContact CG-CH2 4.16Å; V508-W561 HydrophobicContact CB-CE3 4.31Å; V508-W561 HydrophobicContact CB-CZ3 4.32Å; V508-W561 HydrophobicContact CG1-CE3 4.32Å; V508-W561 HydrophobicContact CG1-CZ3 4.35Å; V508-W561 HydrophobicContact CG2-CD2 4.42Å; V508-W561 HydrophobicContact CG2-CE3 3.79Å; V508-W561 HydrophobicContact CG2-CZ3 4.25Å; L558-W561 HydrophobicContact CB-CB 4.1Å; G559-W561 PolarHBondContact O-N 3.06Å; W561-H563 VanDerWaalsContact C-N 3.35Å; W561-H563 PolarHBondContact O-N 3.33Å; W561-I564 HydrophobicContact CE3-CD1 3.68Å; W561-I564 HydrophobicContact CZ3-CD1 3.93Å; W561-I564 PolarHBondContact O-N 3.03Å; W561-L565 WeakPolarHBondContact O-CB 3.11Å; W561-L565 VanDerWaalsContact O-CG 3.3Å; W561-L565 WeakPolarHBondContact O-CG 3.25Å; W561-L565 PolarHBondContact O-N 3.33Å
562	M	92	Very high	89.1	Confident	24 Å²	24	42.7 Å²	42.7	12%	0.118	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-41	177.2	-172.1	62.4	-166.3	0	0	111.9	L221 K225 G559 V560 L565 V566	L221-M562 HydrophobicContact CB-CE 4.18Å; K225-M562 HydrophobicContact CD-CE 3.87Å; K225-M562 HydrophobicContact CG-CE 3.35Å; K225-M562 HydrophobicContact CG-SD 4.46Å; G559-M562 PolarHBondContact O-N 3.35Å; V560-M562 PolarHBondContact O-N 3.02Å; V560-M562 VanDerWaalsContact O-N 3.16Å; M562-L565 PolarHBondContact O-N 2.89Å; M562-V566 HydrophobicContact CE-CG2 3.99Å; M562-V566 VanDerWaalsContact O-CG2 3.31Å; M562-V566 WeakPolarHBondContact O-CG2 3.5Å; M562-V566 PolarHBondContact O-N 3.18Å
563	H	94.1	Very high	89.4	Confident	148 Å²	148	42.9 Å²	42.9	69%	0.685	22%	0.221	S	C	*	.	H	α-helix	trans	-67.5	-38.8	176.5	-64	-62.5	0	0	0	111.7	V560 W561 G567	V560-H563 PolarHBondContact O-N 3.32Å; W561-H563 VanDerWaalsContact C-N 3.35Å; W561-H563 PolarHBondContact O-N 3.33Å; H563-G567 PolarHBondContact O-N 2.91Å
564	I	94.8	Very high	90	Very high	11 Å²	11	45 Å²	45	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-49.8	175	-70.6	169.2	0	0	0	110.7	T371 F375 V508 V560 W561 V566 G567 I568	T371-I564 HydrophobicContact CG2-CD1 3.98Å; F375-I564 HydrophobicContact CB-CD1 3.99Å; F375-I564 HydrophobicContact CD1-CD1 3.91Å; F375-I564 HydrophobicContact CD1-CG1 3.99Å; F375-I564 HydrophobicContact CD1-CG2 3.9Å; F375-I564 HydrophobicContact CD2-CD1 4.42Å; F375-I564 HydrophobicContact CD2-CG2 3.74Å; F375-I564 HydrophobicContact CE1-CB 4.48Å; F375-I564 HydrophobicContact CE1-CG1 4.25Å; F375-I564 HydrophobicContact CE1-CG2 3.58Å; F375-I564 HydrophobicContact CE2-CG2 3.41Å; F375-I564 VanDerWaalsContact CE2-CG2 3.41Å; F375-I564 HydrophobicContact CG-CD1 3.81Å; F375-I564 HydrophobicContact CG-CG1 4.33Å; F375-I564 HydrophobicContact CG-CG2 3.98Å; F375-I564 HydrophobicContact CZ-CG2 3.34Å; V508-I564 HydrophobicContact CG1-CG2 3.75Å; V560-I564 HydrophobicContact CG1-CD1 3.91Å; V560-I564 HydrophobicContact CG1-CG1 4.2Å; V560-I564 PolarHBondContact O-N 2.82Å; V560-I564 VanDerWaalsContact O-N 3.13Å; W561-I564 HydrophobicContact CE3-CD1 3.68Å; W561-I564 HydrophobicContact CZ3-CD1 3.93Å; W561-I564 PolarHBondContact O-N 3.03Å; I564-V566 PolarHBondContact O-N 3.37Å; I564-G567 WeakPolarHBondContact O-CA 3.41Å; I564-G567 PolarHBondContact O-N 3.32Å; I564-G567 VanDerWaalsContact O-N 3.09Å; I564-I568 HydrophobicContact CG2-CD1 3.94Å; I564-I568 HydrophobicContact CG2-CG1 4.43Å; I564-I568 WeakPolarHBondContact O-CG1 3.3Å; I564-I568 PolarHBondContact O-N 2.86Å
565	L	95.1	Very high	90.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-46.9	179.7	-76.3	164.7	0	0	0	111.9	W130 L221 V508 Y511 W561 M562 G567 I568 S569	W130-L565 HydrophobicContact CH2-CD1 3.39Å; W130-L565 HydrophobicContact CH2-CD2 4.36Å; W130-L565 HydrophobicContact CZ2-CD1 3.65Å; W130-L565 HydrophobicContact CZ2-CD2 4.25Å; W130-L565 HydrophobicContact CZ3-CD1 4.24Å; L221-L565 HydrophobicContact CD1-CB 4.16Å; L221-L565 HydrophobicContact CD2-CB 3.8Å; L221-L565 HydrophobicContact CD2-CD1 4.15Å; L221-L565 HydrophobicContact CD2-CG 4.42Å; V508-L565 HydrophobicContact CG1-CD2 4.32Å; V508-L565 HydrophobicContact CG2-CD2 4.07Å; V508-L565 HydrophobicContact CG2-CG 4.24Å; Y511-L565 HydrophobicContact CD1-CD2 3.57Å; Y511-L565 HydrophobicContact CE1-CD2 3.97Å; Y511-L565 HydrophobicContact CG-CD2 3.9Å; W561-L565 WeakPolarHBondContact O-CB 3.11Å; W561-L565 VanDerWaalsContact O-CG 3.3Å; W561-L565 WeakPolarHBondContact O-CG 3.25Å; W561-L565 PolarHBondContact O-N 3.33Å; M562-L565 PolarHBondContact O-N 2.89Å; L565-G567 VanDerWaalsContact C-N 3.26Å; L565-G567 PolarHBondContact O-N 3.16Å; L565-I568 PolarHBondContact O-N 3.42Å; L565-S569 PolarHBondContact O-N 2.8Å; L565-S569 PolarHBondContact O-OG 2.76Å
566	V	93.4	Very high	91.3	Very high	34 Å²	34	38.5 Å²	38.5	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-39	175	172.1	0	0	0	0	111.3	L221 M562 I564 S569 R570	L221-V566 HydrophobicContact CD1-CB 4.46Å; L221-V566 HydrophobicContact CD1-CG2 3.89Å; M562-V566 HydrophobicContact CE-CG2 3.99Å; M562-V566 VanDerWaalsContact O-CG2 3.31Å; M562-V566 WeakPolarHBondContact O-CG2 3.5Å; M562-V566 PolarHBondContact O-N 3.18Å; I564-V566 PolarHBondContact O-N 3.37Å; V566-S569 PolarHBondContact O-N 2.81Å; V566-R570 WeakPolarHBondContact O-CG 3.43Å; V566-R570 PolarHBondContact O-N 3.3Å; V566-R570 VanDerWaalsContact O-N 3.1Å
567	G	93.6	Very high	92	Very high	38 Å²	38	34.8 Å²	34.8	39%	0.392	18%	0.184	S	C	.	.	H	α-helix	trans	-61.2	-47.5	174.1	0	0	0	0	0	112.7	H563 I564 L565 R570 L571	H563-G567 PolarHBondContact O-N 2.91Å; I564-G567 WeakPolarHBondContact O-CA 3.41Å; I564-G567 PolarHBondContact O-N 3.32Å; I564-G567 VanDerWaalsContact O-N 3.09Å; L565-G567 VanDerWaalsContact C-N 3.26Å; L565-G567 PolarHBondContact O-N 3.16Å; G567-R570 PolarHBondContact O-N 2.73Å; G567-L571 PolarHBondContact O-N 3.06Å
568	I	95	Very high	92.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-45.2	176.7	-66.1	171.1	0	0	0	110.8	F375 V508 Y511 L516 I564 L565 R570 L571 A572	F375-I568 HydrophobicContact CE2-CD1 3.85Å; F375-I568 HydrophobicContact CZ-CD1 3.84Å; F375-I568 HydrophobicContact CZ-CG1 4.05Å; V508-I568 HydrophobicContact CG1-CD1 3.73Å; Y511-I568 HydrophobicContact CD1-CB 4.49Å; Y511-I568 HydrophobicContact CD1-CG2 3.95Å; Y511-I568 HydrophobicContact CE1-CB 4.39Å; Y511-I568 HydrophobicContact CE1-CG2 3.99Å; L516-I568 HydrophobicContact CD1-CG2 4.44Å; L516-I568 HydrophobicContact CG-CG2 4.42Å; I564-I568 HydrophobicContact CG2-CD1 3.94Å; I564-I568 HydrophobicContact CG2-CG1 4.43Å; I564-I568 WeakPolarHBondContact O-CG1 3.3Å; I564-I568 PolarHBondContact O-N 2.86Å; L565-I568 PolarHBondContact O-N 3.42Å; I568-R570 VanDerWaalsContact C-N 3.32Å; I568-R570 PolarHBondContact O-N 3.39Å; I568-L571 PolarHBondContact O-N 3.13Å; I568-A572 WeakPolarHBondContact O-CB 3.15Å; I568-A572 PolarHBondContact O-N 3.18Å
569	S	93.4	Very high	92.8	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.035	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-38.1	180	-48.8	0	0	0	0	112.2	L221 Y511 L565 V566 A572 V573	L221-S569 WeakPolarHBondContact CD1-OG 3.48Å; Y511-S569 PolarHBondContact OH-OG 3.38Å; L565-S569 PolarHBondContact O-N 2.8Å; L565-S569 PolarHBondContact O-OG 2.76Å; V566-S569 PolarHBondContact O-N 2.81Å; S569-A572 WeakPolarHBondContact O-CB 3.34Å; S569-A572 PolarHBondContact O-N 3.47Å; S569-V573 WeakPolarHBondContact O-CG2 3.36Å; S569-V573 PolarHBondContact O-N 3.07Å
570	R	91.9	Very high	93.2	Very high	164 Å²	164	31.2 Å²	31.2	62%	0.619	16%	0.161	S	C	*	.	H	α-helix	trans	-64.5	-45	174.2	-71.7	174.3	-175.8	-174.6	0.6	111.5	V566 G567 I568 A572 V573	V566-R570 WeakPolarHBondContact O-CG 3.43Å; V566-R570 PolarHBondContact O-N 3.3Å; V566-R570 VanDerWaalsContact O-N 3.1Å; G567-R570 PolarHBondContact O-N 2.73Å; I568-R570 VanDerWaalsContact C-N 3.32Å; I568-R570 PolarHBondContact O-N 3.39Å; R570-A572 VanDerWaalsContact C-N 3.28Å; R570-A572 PolarHBondContact O-N 3.29Å; R570-V573 PolarHBondContact O-N 2.88Å
571	L	93.4	Very high	93.4	Very high	61 Å²	61	29.9 Å²	29.9	32%	0.319	15%	0.153	S	C	.	.	H	α-helix	trans	-64.8	-33.1	176.8	-175.4	62.8	0	0	0	112.1	F379 F387 L516 G567 I568 V573 I574 T575	F379-L571 HydrophobicContact CE1-CD2 4.24Å; F379-L571 HydrophobicContact CE2-CD2 4.32Å; F379-L571 HydrophobicContact CZ-CD2 3.5Å; F387-L571 HydrophobicContact CZ-CD2 4.39Å; L516-L571 HydrophobicContact CD2-CB 4.06Å; L516-L571 HydrophobicContact CD2-CD2 3.97Å; L516-L571 HydrophobicContact CD2-CG 3.72Å; G567-L571 PolarHBondContact O-N 3.06Å; I568-L571 PolarHBondContact O-N 3.13Å; L571-V573 PolarHBondContact O-N 3.01Å; L571-I574 PolarHBondContact O-N 3.45Å; L571-T575 WeakPolarHBondContact O-CB 3.2Å; L571-T575 PolarHBondContact O-N 3.08Å; L571-T575 PolarHBondContact O-OG1 3.32Å
572	A	94.9	Very high	93.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-38.2	177	0	0	0	0	0	113.2	T515 L516 I568 S569 R570 T575 N576	T515-A572 WeakPolarHBondContact O-CB 3.5Å; L516-A572 HydrophobicContact CD2-CB 4.14Å; L516-A572 HydrophobicContact CG-CB 4.49Å; I568-A572 WeakPolarHBondContact O-CB 3.15Å; I568-A572 PolarHBondContact O-N 3.18Å; S569-A572 WeakPolarHBondContact O-CB 3.34Å; S569-A572 PolarHBondContact O-N 3.47Å; R570-A572 VanDerWaalsContact C-N 3.28Å; R570-A572 PolarHBondContact O-N 3.29Å; A572-T575 PolarHBondContact O-N 3.49Å; A572-N576 WeakPolarHBondContact O-CB 3.38Å; A572-N576 PolarHBondContact O-N 3.25Å; A572-N576 PolarHBondContact O-ND2 3.47Å
573	V	93.1	Very high	93.1	Very high	13 Å²	13	31.6 Å²	31.6	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-50.8	175.7	-178.4	0	0	0	0	110.6	S569 R570 L571 A577 F700 V704	S569-V573 WeakPolarHBondContact O-CG2 3.36Å; S569-V573 PolarHBondContact O-N 3.07Å; R570-V573 PolarHBondContact O-N 2.88Å; L571-V573 PolarHBondContact O-N 3.01Å; V573-A577 WeakPolarHBondContact O-CB 3.4Å; V573-A577 PolarHBondContact O-N 2.85Å; V573-A577 VanDerWaalsContact O-N 3.1Å; V573-F700 HydrophobicContact CG1-CD1 4.28Å; V573-F700 HydrophobicContact CG1-CE1 4.14Å; V573-V704 HydrophobicContact CB-CG1 4.47Å; V573-V704 HydrophobicContact CG1-CB 3.87Å; V573-V704 HydrophobicContact CG1-CG1 3.9Å; V573-V704 HydrophobicContact CG1-CG2 4.08Å; V573-V704 HydrophobicContact CG2-CG1 3.66Å
574	I	93.1	Very high	92.9	Very high	75 Å²	75	25 Å²	25	39%	0.385	13%	0.131	S	C	.	.	H	α-helix	trans	-65.2	-44.3	-179.9	-60.5	171.9	0	0	0	110.3	L571 A577 C578	L571-I574 PolarHBondContact O-N 3.45Å; I574-A577 PolarHBondContact O-N 3.29Å; I574-C578 WeakPolarHBondContact O-CB 3.46Å; I574-C578 PolarHBondContact O-N 3.19Å; I574-C578 PolarHBondContact O-SG 2.89Å; I574-C578 VanDerWaalsContact O-SG 3.33Å
575	T	94.2	Very high	92.5	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-47.7	-177.8	-54	0	0	0	0	111	F387 F391 L516 F517 L571 A572 A577 C578 V579	F387-T575 HydrophobicContact CE1-CG2 3.97Å; F391-T575 HydrophobicContact CE2-CG2 4.31Å; F391-T575 HydrophobicContact CZ-CG2 4.04Å; L516-T575 HydrophobicContact CB-CG2 4.42Å; L516-T575 WeakPolarHBondContact O-CG2 3.3Å; F517-T575 HydrophobicContact CE1-CG2 4.21Å; F517-T575 HydrophobicContact CZ-CG2 4.45Å; L571-T575 WeakPolarHBondContact O-CB 3.2Å; L571-T575 PolarHBondContact O-N 3.08Å; L571-T575 PolarHBondContact O-OG1 3.32Å; A572-T575 PolarHBondContact O-N 3.49Å; T575-A577 PolarHBondContact O-N 3.18Å; T575-C578 PolarHBondContact O-N 3.44Å; T575-V579 HydrophobicContact CG2-CG2 4.22Å; T575-V579 WeakPolarHBondContact O-CB 3.41Å; T575-V579 VanDerWaalsContact O-CG2 3.23Å; T575-V579 WeakPolarHBondContact O-CG2 3.46Å; T575-V579 PolarHBondContact O-N 3.21Å
576	N	93.7	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-42	177.6	-73.9	-45.3	0	0	0	111.9	S214 T515 L516 A572 C578 V579 I580 F700	S214-N576 PolarHBondContact OG-ND2 3.36Å; T515-N576 PolarHBondContact O-ND2 3.09Å; L516-N576 PolarHBondContact O-OD1 2.63Å; A572-N576 WeakPolarHBondContact O-CB 3.38Å; A572-N576 PolarHBondContact O-N 3.25Å; A572-N576 PolarHBondContact O-ND2 3.47Å; N576-C578 VanDerWaalsContact C-N 3.34Å; N576-C578 PolarHBondContact O-N 3.46Å; N576-V579 PolarHBondContact O-N 3.4Å; N576-I580 WeakPolarHBondContact O-CD1 3.42Å; N576-I580 VanDerWaalsContact O-CG1 3.24Å; N576-I580 WeakPolarHBondContact O-CG1 3.14Å; N576-I580 PolarHBondContact O-N 2.92Å; N576-F700 HydrophobicContact CB-CZ 4.46Å
577	A	93.6	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-47.3	175.8	0	0	0	0	0	111.5	V573 I574 T575 I580 A581 V697 F700	V573-A577 WeakPolarHBondContact O-CB 3.4Å; V573-A577 PolarHBondContact O-N 2.85Å; V573-A577 VanDerWaalsContact O-N 3.1Å; I574-A577 PolarHBondContact O-N 3.29Å; T575-A577 PolarHBondContact O-N 3.18Å; A577-I580 PolarHBondContact O-N 3.29Å; A577-A581 WeakPolarHBondContact O-CB 3.46Å; A577-A581 PolarHBondContact O-N 3.47Å; A577-V697 HydrophobicContact CB-CB 4.48Å; A577-V697 HydrophobicContact CB-CG1 4.11Å; A577-V697 HydrophobicContact CB-CG2 4.36Å; A577-F700 HydrophobicContact CB-CB 4.16Å; A577-F700 HydrophobicContact CB-CD1 3.55Å; A577-F700 HydrophobicContact CB-CE1 4.13Å; A577-F700 HydrophobicContact CB-CG 3.98Å
578	C	93.5	Very high	92	Very high	26 Å²	26	25.1 Å²	25.1	18%	0.176	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-38.5	178.8	-70.6	0	0	0	0	112.6	F391 I574 T575 N576 A581 F582	F391-C578 HydrophobicContact CD1-CB 4.35Å; F391-C578 HydrophobicContact CE1-CB 3.4Å; F391-C578 VanDerWaalsContact CE1-CB 3.4Å; F391-C578 HydrophobicContact CZ-CB 3.68Å; I574-C578 WeakPolarHBondContact O-CB 3.46Å; I574-C578 PolarHBondContact O-N 3.19Å; I574-C578 PolarHBondContact O-SG 2.89Å; I574-C578 VanDerWaalsContact O-SG 3.33Å; T575-C578 PolarHBondContact O-N 3.44Å; N576-C578 VanDerWaalsContact C-N 3.34Å; N576-C578 PolarHBondContact O-N 3.46Å; C578-A581 PolarHBondContact O-N 3.16Å; C578-F582 HydrophobicContact CB-CD2 4.24Å; C578-F582 WeakPolarHBondContact O-CB 3.36Å; C578-F582 WeakPolarHBondContact O-CD2 3.36Å; C578-F582 PolarHBondContact O-N 2.99Å
579	V	92.7	Very high	91.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	13%	0.126	C	C	.	.	I	π-helix	trans	-63.5	-43.5	177	168.8	0	0	0	0	110.3	A390 F391 A519 T575 N576 T583 S584	A390-V579 HydrophobicContact CB-CG2 4.4Å; F391-V579 HydrophobicContact CE1-CG2 3.99Å; F391-V579 HydrophobicContact CZ-CG2 3.92Å; A519-V579 HydrophobicContact CB-CB 4.38Å; A519-V579 HydrophobicContact CB-CG1 3.87Å; T575-V579 HydrophobicContact CG2-CG2 4.22Å; T575-V579 WeakPolarHBondContact O-CB 3.41Å; T575-V579 VanDerWaalsContact O-CG2 3.23Å; T575-V579 WeakPolarHBondContact O-CG2 3.46Å; T575-V579 PolarHBondContact O-N 3.21Å; N576-V579 PolarHBondContact O-N 3.4Å; V579-T583 CarbonylContact O-C 3.39Å; V579-T583 WeakPolarHBondContact O-CA 3.33Å; V579-T583 VanDerWaalsContact O-CB 3.27Å; V579-T583 WeakPolarHBondContact O-CB 3.4Å; V579-T583 PolarHBondContact O-N 3.41Å; V579-S584 PolarHBondContact O-N 3.28Å
580	I	91.7	Very high	91.6	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	15%	0.145	C	C	.	.	I	π-helix	trans	-67.4	-39	177.4	-63.1	160.7	0	0	0	111.3	V207 A210 A519 N576 A577 S584 F586 F696 F700	V207-I580 HydrophobicContact CG1-CD1 4.34Å; V207-I580 HydrophobicContact CG1-CG2 4.15Å; V207-I580 HydrophobicContact CG2-CG2 4.14Å; A210-I580 HydrophobicContact CB-CD1 3.85Å; A519-I580 HydrophobicContact CB-CD1 4.38Å; A519-I580 HydrophobicContact CB-CG1 3.92Å; N576-I580 WeakPolarHBondContact O-CD1 3.42Å; N576-I580 VanDerWaalsContact O-CG1 3.24Å; N576-I580 WeakPolarHBondContact O-CG1 3.14Å; N576-I580 PolarHBondContact O-N 2.92Å; A577-I580 PolarHBondContact O-N 3.29Å; I580-S584 WeakPolarHBondContact O-CB 3.45Å; I580-F586 HydrophobicContact CG2-CB 4.41Å; I580-F586 HydrophobicContact CG2-CD1 4.12Å; I580-F696 HydrophobicContact CB-CE1 3.82Å; I580-F696 HydrophobicContact CB-CZ 4.19Å; I580-F696 HydrophobicContact CD1-CZ 4.43Å; I580-F696 HydrophobicContact CG2-CD1 4.49Å; I580-F696 HydrophobicContact CG2-CE1 3.56Å; I580-F696 HydrophobicContact CG2-CE2 4.44Å; I580-F696 HydrophobicContact CG2-CZ 3.52Å; I580-F700 HydrophobicContact CD1-CE2 4.26Å
581	A	92.1	Very high	91.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-74.3	-44.8	-179.2	0	0	0	0	0	112.9	A577 C578 R693 F696 V697	A577-A581 WeakPolarHBondContact O-CB 3.46Å; A577-A581 PolarHBondContact O-N 3.47Å; C578-A581 PolarHBondContact O-N 3.16Å; A581-R693 HydrophobicContact CB-CB 4.2Å; A581-R693 HydrophobicContact CB-CG 4.4Å; A581-R693 WeakPolarHBondContact O-CD 3.5Å; A581-R693 VanDerWaalsContact O-CG 3.24Å; A581-R693 WeakPolarHBondContact O-CG 3.49Å; A581-R693 PolarHBondContact O-NE 2.69Å; A581-F696 HydrophobicContact CB-CD1 4.14Å; A581-V697 HydrophobicContact CB-CG2 3.65Å
582	F	89.8	Confident	91.5	Very high	61 Å²	61	21.5 Å²	21.5	27%	0.268	11%	0.107	S	C	.	.	I	π-helix	trans	-108.6	-22.2	-168	-64.2	-74	0	0	0	114.6	R395 C578 L690 R693 V697	R395-F582 PolarHBondContact NH2-O 2.83Å; C578-F582 HydrophobicContact CB-CD2 4.24Å; C578-F582 WeakPolarHBondContact O-CB 3.36Å; C578-F582 WeakPolarHBondContact O-CD2 3.36Å; C578-F582 PolarHBondContact O-N 2.99Å; F582-L690 HydrophobicContact CE1-CD1 4.32Å; F582-R693 HydrophobicContact CE1-CB 4.19Å; F582-R693 HydrophobicContact CZ-CB 4.4Å; F582-V697 HydrophobicContact CE2-CG2 4.4Å
583	T	88.8	Confident	91.3	Very high	15 Å²	15	28.1 Å²	28.1	9%	0.092	13%	0.132	C	C	.	.	I	π-helix	trans	-105.3	-38	-179	-42.4	0	0	0	0	111.7	A390 V579	A390-T583 PolarHBondContact O-OG1 2.97Å; V579-T583 CarbonylContact O-C 3.39Å; V579-T583 WeakPolarHBondContact O-CA 3.33Å; V579-T583 VanDerWaalsContact O-CB 3.27Å; V579-T583 WeakPolarHBondContact O-CB 3.4Å; V579-T583 PolarHBondContact O-N 3.41Å
584	S	88.4	Confident	91.1	Very high	8 Å²	8	33 Å²	33	6%	0.056	15%	0.154	C	C	.	.	S	Bend	trans	-78.5	152.3	175.3	168.3	0	0	0	0	111.6	D202 V579 I580 F586	D202-S584 PolarHBondContact OD1-OG 3.03Å; D202-S584 WeakPolarHBondContact OD2-CA 3.5Å; D202-S584 WeakPolarHBondContact OD2-CB 3.37Å; D202-S584 PolarHBondContact OD2-OG 2.7Å; V579-S584 PolarHBondContact O-N 3.28Å; I580-S584 WeakPolarHBondContact O-CB 3.45Å; S584-F586 PolarHBondContact O-N 2.72Å; S584-F586 WeakPolarHBondContact OG-CB 3.44Å; S584-F586 PolarHBondContact OG-N 3.32Å; S584-F586 VanDerWaalsContact OG-N 3.13Å
585	D	86.6	Confident	90.9	Very high	27 Å²	27	34.5 Å²	34.5	14%	0.144	16%	0.157	C	C	.	.	S	Bend	trans	-86.9	7.8	176.7	-163.8	30.4	0	0	0	113	D202 P588 R589 Y605	D202-D585 PolarHBondContact OD2-N 2.9Å; D585-P588 WeakPolarHBondContact O-CD 3.38Å; D585-P588 WeakPolarHBondContact OD1-CB 3.45Å; D585-R589 WeakPolarHBondContact O-CB 3.39Å; D585-R589 WeakPolarHBondContact O-CG 3.37Å; D585-R589 PolarHBondContact O-N 2.95Å; D585-R589 VanDerWaalsContact O-N 3.13Å; D585-R589 IonicContact OD2-CZ 2.73Å; D585-R589 IonicContact OD2-NE 2.74Å; D585-R589 PolarHBondContact OD2-NE 2.99Å; D585-R589 IonicContact OD2-NH2 2.85Å; D585-R589 PolarHBondContact OD2-NH2 3.39Å; D585-Y605 VanDerWaalsContact CG-OH 3.29Å; D585-Y605 PolarHBondContact OD1-OH 3.01Å; D585-Y605 WeakPolarHBondContact OD2-CE1 3.37Å; D585-Y605 PolarHBondContact OD2-OH 2.85Å
586	F	90	Very high	90.5	Very high	51 Å²	51	37.1 Å²	37.1	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-49	-177.3	179.8	-103.5	0	0	0	113.5	T204 V207 I580 S584 M590 F696	T204-F586 HydrophobicContact CG2-CE2 4.4Å; V207-F586 HydrophobicContact CG1-CD1 4.4Å; V207-F586 HydrophobicContact CG1-CE1 4.2Å; V207-F586 HydrophobicContact CG1-CZ 4.31Å; V207-F586 HydrophobicContact CG2-CB 4.2Å; V207-F586 HydrophobicContact CG2-CD1 4.28Å; V207-F586 HydrophobicContact CG2-CD2 3.8Å; V207-F586 HydrophobicContact CG2-CE2 4.23Å; V207-F586 HydrophobicContact CG2-CG 3.82Å; I580-F586 HydrophobicContact CG2-CB 4.41Å; I580-F586 HydrophobicContact CG2-CD1 4.12Å; S584-F586 PolarHBondContact O-N 2.72Å; S584-F586 WeakPolarHBondContact OG-CB 3.44Å; S584-F586 PolarHBondContact OG-N 3.32Å; S584-F586 VanDerWaalsContact OG-N 3.13Å; F586-M590 WeakPolarHBondContact O-CB 3.49Å; F586-M590 PolarHBondContact O-N 3.16Å; F586-F696 HydrophobicContact CE1-CE2 4.27Å
587	V	91.5	Very high	90.2	Very high	8 Å²	8	38 Å²	38	5%	0.048	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-48.9	-177.4	178.7	0	0	0	0	111.7	R589 M590 V591 M692 R693 F696	V587-R589 PolarHBondContact O-N 3.33Å; V587-M590 PolarHBondContact O-N 3.22Å; V587-V591 HydrophobicContact CG1-CG2 4.32Å; V587-V591 WeakPolarHBondContact O-CG2 3.4Å; V587-V591 PolarHBondContact O-N 3.28Å; V587-M692 HydrophobicContact CG1-CB 4.01Å; V587-R693 HydrophobicContact CB-CG 4.13Å; V587-R693 HydrophobicContact CG1-CG 3.81Å; V587-F696 HydrophobicContact CG2-CB 4.39Å; V587-F696 HydrophobicContact CG2-CG 4.29Å
588	P	90	Very high	89.7	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-55.1	-47	173.8	-28.5	36.9	0	0	0	114	D585 M590 V591 Y592 Y605 Y638 V689	D585-P588 WeakPolarHBondContact O-CD 3.38Å; D585-P588 WeakPolarHBondContact OD1-CB 3.45Å; P588-M590 VanDerWaalsContact C-N 3.3Å; P588-M590 PolarHBondContact O-N 2.92Å; P588-V591 PolarHBondContact O-N 3.21Å; P588-Y592 PolarHBondContact O-N 2.73Å; P588-Y605 WeakPolarHBondContact CB-OH 3.07Å; P588-Y638 WeakPolarHBondContact CB-OH 3.3Å; P588-V689 HydrophobicContact CG-CG1 4.17Å
589	R	90.1	Very high	89.3	Confident	36 Å²	36	48.4 Å²	48.4	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-42.1	176.1	-72	175.3	-170.6	-156.4	4	112.4	D159 D585 V587 R593 L602 Y605	D159-R589 IonicContact OD1-NH1 2.95Å; D585-R589 WeakPolarHBondContact O-CB 3.39Å; D585-R589 WeakPolarHBondContact O-CG 3.37Å; D585-R589 PolarHBondContact O-N 2.95Å; D585-R589 VanDerWaalsContact O-N 3.13Å; D585-R589 IonicContact OD2-CZ 2.73Å; D585-R589 IonicContact OD2-NE 2.74Å; D585-R589 PolarHBondContact OD2-NE 2.99Å; D585-R589 IonicContact OD2-NH2 2.85Å; D585-R589 PolarHBondContact OD2-NH2 3.39Å; V587-R589 PolarHBondContact O-N 3.33Å; R589-R593 WeakPolarHBondContact O-CB 3.24Å; R589-R593 PolarHBondContact O-N 3Å; R589-L602 HydrophobicContact CB-CD2 4.14Å; R589-L602 HydrophobicContact CG-CD2 4.39Å; R589-Y605 HydrophobicContact CG-CD1 4.47Å; R589-Y605 HydrophobicContact CG-CE1 3.84Å; R589-Y605 HydrophobicContact CG-CE2 4.2Å
590	M	90.9	Very high	89	Confident	90 Å²	90	49.5 Å²	49.5	44%	0.443	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-42.9	178.1	-169.9	66.2	173.1	0	0	111.6	F586 V587 P588 R593 H594	F586-M590 WeakPolarHBondContact O-CB 3.49Å; F586-M590 PolarHBondContact O-N 3.16Å; V587-M590 PolarHBondContact O-N 3.22Å; P588-M590 VanDerWaalsContact C-N 3.3Å; P588-M590 PolarHBondContact O-N 2.92Å; M590-R593 PolarHBondContact O-N 3.36Å; M590-H594 WeakPolarHBondContact CE-CE1 2.98Å; M590-H594 PolarHBondContact O-N 3.46Å; M590-H594 VanDerWaalsContact O-N 3.13Å; M590-H594 PolarHBondContact O-ND1 2.94Å; M590-H594 PolarHBondContact SD-CE1 2.92Å
591	V	92.3	Very high	88.8	Confident	4 Å²	4	51 Å²	51	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-47.1	176.7	169.8	0	0	0	0	110.9	V587 P588 R593 H594 F595 F596 I688 V689 M692	V587-V591 HydrophobicContact CG1-CG2 4.32Å; V587-V591 WeakPolarHBondContact O-CG2 3.4Å; V587-V591 PolarHBondContact O-N 3.28Å; P588-V591 PolarHBondContact O-N 3.21Å; V591-R593 VanDerWaalsContact C-N 3.33Å; V591-R593 PolarHBondContact O-N 2.61Å; V591-H594 PolarHBondContact O-N 2.88Å; V591-F595 HydrophobicContact CG1-CD2 4.04Å; V591-F595 WeakPolarHBondContact O-CB 3.23Å; V591-F595 PolarHBondContact O-N 2.8Å; V591-F596 HydrophobicContact CG1-CD2 4.24Å; V591-F596 HydrophobicContact CG1-CE2 3.86Å; V591-I688 HydrophobicContact CG1-CG2 3.95Å; V591-V689 HydrophobicContact CB-CG2 4.44Å; V591-V689 HydrophobicContact CG1-CG2 4.04Å; V591-M692 HydrophobicContact CG2-CB 3.81Å; V591-M692 HydrophobicContact CG2-CG 3.79Å
592	Y	90.5	Very high	88.5	Confident	27 Å²	27	52.6 Å²	52.6	11%	0.106	27%	0.274	C	S	.	.	I	π-helix	trans	-56.6	-49	176.3	-175.5	-92.6	0	0	0	111.3	P588 H594 F596 S597 L602 T603 G604 Y605	P588-Y592 PolarHBondContact O-N 2.73Å; Y592-H594 VanDerWaalsContact C-N 3.31Å; Y592-H594 PolarHBondContact O-N 3.37Å; Y592-F596 HydrophobicContact CD2-CB 3.9Å; Y592-F596 HydrophobicContact CE2-CB 4.17Å; Y592-F596 HydrophobicContact CG-CB 4.4Å; Y592-F596 CarbonylContact O-C 3.58Å; Y592-F596 WeakPolarHBondContact O-CA 3.37Å; Y592-F596 PolarHBondContact O-N 3.49Å; Y592-S597 PolarHBondContact O-N 2.98Å; Y592-L602 HydrophobicContact CD1-CD2 4.13Å; Y592-T603 PolarHBondContact OH-O 2.96Å; Y592-G604 VanDerWaalsContact OH-C 3.29Å; Y592-G604 PolarHBondContact OH-O 3.23Å; Y592-Y605 AromaticContact CD1-CD2 3.85Å; Y592-Y605 HydrophobicContact CD1-CD2 3.85Å; Y592-Y605 AromaticContact CD2-CD2 3.89Å; Y592-Y605 HydrophobicContact CD2-CD2 3.89Å; Y592-Y605 HydrophobicContact CE1-CD2 4.46Å; Y592-Y605 AromaticContact CG-CD2 3.52Å; Y592-Y605 HydrophobicContact CG-CD2 3.52Å; Y592-Y605 HydrophobicContact CG-CE2 4.2Å
593	R	90.4	Very high	88.3	Confident	139 Å²	139	53 Å²	53	53%	0.525	28%	0.282	S	S	.	.	I	π-helix	trans	-59.7	-37.1	-179.2	-171.4	174.9	-177	177.1	-2.7	113.7	R589 M590 V591 G600	R589-R593 WeakPolarHBondContact O-CB 3.24Å; R589-R593 PolarHBondContact O-N 3Å; M590-R593 PolarHBondContact O-N 3.36Å; V591-R593 VanDerWaalsContact C-N 3.33Å; V591-R593 PolarHBondContact O-N 2.61Å; R593-G600 VanDerWaalsContact CG-O 3.26Å; R593-G600 WeakPolarHBondContact CG-O 3.49Å; R593-G600 PolarHBondContact NE-O 3.36Å
594	H	89.8	Confident	88.1	Confident	116 Å²	116	53.6 Å²	53.6	54%	0.537	29%	0.291	S	S	.	.	I	π-helix	trans	-93.2	-32.7	-173.8	-72.5	70.4	0	0	0	114.1	M590 V591 Y592	M590-H594 WeakPolarHBondContact CE-CE1 2.98Å; M590-H594 PolarHBondContact O-N 3.46Å; M590-H594 VanDerWaalsContact O-N 3.13Å; M590-H594 PolarHBondContact O-ND1 2.94Å; M590-H594 PolarHBondContact SD-CE1 2.92Å; V591-H594 PolarHBondContact O-N 2.88Å; Y592-H594 VanDerWaalsContact C-N 3.31Å; Y592-H594 PolarHBondContact O-N 3.37Å
595	F	88.9	Confident	88.1	Confident	105 Å²	105	53.5 Å²	53.5	46%	0.461	29%	0.289	S	S	.	.	I	π-helix	trans	-109.3	-26.3	-172.6	-67.3	-80.4	0	0	0	114.2	V591	V591-F595 HydrophobicContact CG1-CD2 4.04Å; V591-F595 WeakPolarHBondContact O-CB 3.23Å; V591-F595 PolarHBondContact O-N 2.8Å
596	F	85.8	Confident	88	Confident	59 Å²	59	52.8 Å²	52.8	26%	0.259	29%	0.285	S	S	.	.	I	π-helix	trans	-119.1	-28.9	-169.5	-63.7	-76.3	0	0	0	114.2	V591 Y592 K685 I688	V591-F596 HydrophobicContact CG1-CD2 4.24Å; V591-F596 HydrophobicContact CG1-CE2 3.86Å; Y592-F596 HydrophobicContact CD2-CB 3.9Å; Y592-F596 HydrophobicContact CE2-CB 4.17Å; Y592-F596 HydrophobicContact CG-CB 4.4Å; Y592-F596 CarbonylContact O-C 3.58Å; Y592-F596 WeakPolarHBondContact O-CA 3.37Å; Y592-F596 PolarHBondContact O-N 3.49Å; F596-K685 HydrophobicContact CD1-CD 4.44Å; F596-K685 HydrophobicContact CE1-CD 3.98Å; F596-K685 HydrophobicContact CE1-CG 3.76Å; F596-K685 HydrophobicContact CE2-CG 4.34Å; F596-K685 HydrophobicContact CZ-CB 4.19Å; F596-K685 HydrophobicContact CZ-CD 4.03Å; F596-K685 HydrophobicContact CZ-CG 3.57Å; F596-I688 HydrophobicContact CZ-CD1 4.26Å
597	S	85.9	Confident	87.6	Confident	19 Å²	19	53.3 Å²	53.3	13%	0.133	30%	0.295	C	S	.	.			trans	-77	126.1	176.9	174.8	0	0	0	0	111.4	Y592 D599 G600 S601	Y592-S597 PolarHBondContact O-N 2.98Å; S597-D599 PolarHBondContact OG-N 3.37Å; S597-G600 WeakPolarHBondContact OG-CA 3.46Å; S597-G600 PolarHBondContact OG-N 3.1Å; S597-S601 VanDerWaalsContact CB-O 3.23Å; S597-S601 WeakPolarHBondContact CB-O 3.43Å; S597-S601 PolarHBondContact OG-N 3.48Å; S597-S601 PolarHBondContact OG-O 3.5Å
598	A	83.2	Confident	87.2	Confident	104 Å²	104	54.2 Å²	54.2	86%	0.86	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-42.6	172.5	0	0	0	0	0	112.4
599	D	87.1	Confident	86.9	Confident	140 Å²	140	55.1 Å²	55.1	75%	0.749	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	5.4	-173.8	-55.7	-32.2	0	0	0	113.7	S597 S601	S597-D599 PolarHBondContact OG-N 3.37Å; D599-S601 PolarHBondContact O-N 2.98Å
600	G	85	Confident	86.8	Confident	27 Å²	27	54 Å²	54	28%	0.278	31%	0.307	S	S	.	.	S	Bend	trans	60	24.5	-169	0	0	0	0	0	115.1	R593 S597	R593-G600 VanDerWaalsContact CG-O 3.26Å; R593-G600 WeakPolarHBondContact CG-O 3.49Å; R593-G600 PolarHBondContact NE-O 3.36Å; S597-G600 WeakPolarHBondContact OG-CA 3.46Å; S597-G600 PolarHBondContact OG-N 3.1Å
601	S	88.6	Confident	86.6	Confident	34 Å²	34	50.1 Å²	50.1	24%	0.238	29%	0.289	C	S	.	.	S	Bend	trans	-106.3	169.8	176.4	77.7	0	0	0	0	111.2	S597 D599 T603	S597-S601 VanDerWaalsContact CB-O 3.23Å; S597-S601 WeakPolarHBondContact CB-O 3.43Å; S597-S601 PolarHBondContact OG-N 3.48Å; S597-S601 PolarHBondContact OG-O 3.5Å; D599-S601 PolarHBondContact O-N 2.98Å; S601-T603 VanDerWaalsContact C-N 3.3Å; S601-T603 WeakPolarHBondContact OG-CG2 3.37Å; S601-T603 PolarHBondContact OG-OG1 3Å
602	L	86.1	Confident	86.3	Confident	33 Å²	33	51.8 Å²	51.8	17%	0.173	30%	0.297	C	S	.	.			trans	-93.3	18.2	177.1	-70.4	171	0	0	0	112.4	L160 P161 R589 Y592 G604 Y605	L160-L602 HydrophobicContact CB-CB 4.36Å; P161-L602 HydrophobicContact CG-CB 4.38Å; P161-L602 HydrophobicContact CG-CD1 4.14Å; R589-L602 HydrophobicContact CB-CD2 4.14Å; R589-L602 HydrophobicContact CG-CD2 4.39Å; Y592-L602 HydrophobicContact CD1-CD2 4.13Å; L602-G604 PolarHBondContact O-N 3.44Å; L602-Y605 HydrophobicContact CD2-CD2 4.32Å; L602-Y605 HydrophobicContact CD2-CG 4.31Å; L602-Y605 WeakPolarHBondContact O-CB 3.31Å; L602-Y605 PolarHBondContact O-N 3.34Å
603	T	85.4	Confident	86.1	Confident	71 Å²	71	50.6 Å²	50.6	44%	0.436	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	132.2	177.4	54.3	0	0	0	0	110.3	L160 Y592 S601 Y605	L160-T603 HydrophobicContact CD2-CG2 3.68Å; Y592-T603 PolarHBondContact OH-O 2.96Å; S601-T603 VanDerWaalsContact C-N 3.3Å; S601-T603 WeakPolarHBondContact OG-CG2 3.37Å; S601-T603 PolarHBondContact OG-OG1 3Å; T603-Y605 PolarHBondContact O-N 3.09Å
604	G	82.8	Confident	85.8	Confident	27 Å²	27	45.2 Å²	45.2	28%	0.278	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	12.8	-177.9	0	0	0	0	0	114.6	Y592 L602 L606 S607 G608	Y592-G604 VanDerWaalsContact OH-C 3.29Å; Y592-G604 PolarHBondContact OH-O 3.23Å; L602-G604 PolarHBondContact O-N 3.44Å; G604-L606 PolarHBondContact O-N 2.75Å; G604-S607 PolarHBondContact O-N 3.26Å; G604-S607 PolarHBondContact O-OG 2.87Å; G604-G608 PolarHBondContact O-N 2.73Å; G604-G608 VanDerWaalsContact O-N 3.1Å
605	Y	88.4	Confident	85.3	Confident	5 Å²	5	39.7 Å²	39.7	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-53.9	-54.9	177.9	172.9	-113.9	0	0	0	111.3	P161 D585 P588 R589 Y592 L602 T603 S607 G608 E609	P161-Y605 HydrophobicContact CB-CD1 4.33Å; P161-Y605 HydrophobicContact CG-CD1 4.04Å; D585-Y605 VanDerWaalsContact CG-OH 3.29Å; D585-Y605 PolarHBondContact OD1-OH 3.01Å; D585-Y605 WeakPolarHBondContact OD2-CE1 3.37Å; D585-Y605 PolarHBondContact OD2-OH 2.85Å; P588-Y605 WeakPolarHBondContact CB-OH 3.07Å; R589-Y605 HydrophobicContact CG-CD1 4.47Å; R589-Y605 HydrophobicContact CG-CE1 3.84Å; R589-Y605 HydrophobicContact CG-CE2 4.2Å; Y592-Y605 AromaticContact CD1-CD2 3.85Å; Y592-Y605 HydrophobicContact CD1-CD2 3.85Å; Y592-Y605 AromaticContact CD2-CD2 3.89Å; Y592-Y605 HydrophobicContact CD2-CD2 3.89Å; Y592-Y605 HydrophobicContact CE1-CD2 4.46Å; Y592-Y605 AromaticContact CG-CD2 3.52Å; Y592-Y605 HydrophobicContact CG-CD2 3.52Å; Y592-Y605 HydrophobicContact CG-CE2 4.2Å; L602-Y605 HydrophobicContact CD2-CD2 4.32Å; L602-Y605 HydrophobicContact CD2-CG 4.31Å; L602-Y605 WeakPolarHBondContact O-CB 3.31Å; L602-Y605 PolarHBondContact O-N 3.34Å; T603-Y605 PolarHBondContact O-N 3.09Å; Y605-S607 VanDerWaalsContact C-N 3.33Å; Y605-S607 PolarHBondContact O-N 3.13Å; Y605-G608 PolarHBondContact O-N 2.92Å; Y605-E609 HydrophobicContact CD1-CG 4.5Å; Y605-E609 HydrophobicContact CD2-CG 3.73Å; Y605-E609 HydrophobicContact CE1-CG 4.1Å; Y605-E609 HydrophobicContact CE2-CG 3.25Å; Y605-E609 HydrophobicContact CG-CG 4.32Å; Y605-E609 VanDerWaalsContact CZ-CG 3.43Å; Y605-E609 VanDerWaalsContact O-CG 3.29Å; Y605-E609 WeakPolarHBondContact O-CG 3.38Å; Y605-E609 PolarHBondContact O-N 3.01Å; Y605-E609 PolarHBondContact OH-OE2 3.11Å
606	L	86	Confident	84.6	Confident	12 Å²	12	40.4 Å²	40.4	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-37.8	-177.8	-68.8	161.4	0	0	0	113.4	P161 D164 I165 A170 G604 G608 E609 L610	P161-L606 HydrophobicContact CB-CD1 4.46Å; P161-L606 WeakPolarHBondContact O-CD1 3.2Å; D164-L606 HydrophobicContact CB-CD1 3.79Å; I165-L606 HydrophobicContact CD1-CD1 3.91Å; I165-L606 HydrophobicContact CD1-CD2 4.14Å; I165-L606 HydrophobicContact CG1-CD1 3.41Å; I165-L606 VanDerWaalsContact CG1-CD1 3.41Å; I165-L606 HydrophobicContact CG1-CD2 4.43Å; A170-L606 HydrophobicContact CB-CB 4.15Å; A170-L606 HydrophobicContact CB-CD1 3.97Å; G604-L606 PolarHBondContact O-N 2.75Å; L606-G608 VanDerWaalsContact C-N 3.27Å; L606-G608 PolarHBondContact O-N 2.97Å; L606-E609 PolarHBondContact O-N 3.12Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 WeakPolarHBondContact O-CD1 3.23Å; L606-L610 VanDerWaalsContact O-CG 3.25Å; L606-L610 WeakPolarHBondContact O-CG 3.09Å; L606-L610 PolarHBondContact O-N 2.97Å
607	S	81.3	Confident	83.8	Confident	62 Å²	62	42.3 Å²	42.3	43%	0.434	26%	0.262	S	S	.	.	H	α-helix	trans	-70.9	-25.5	177.8	57.9	0	0	0	0	112.6	G604 Y605	G604-S607 PolarHBondContact O-N 3.26Å; G604-S607 PolarHBondContact O-OG 2.87Å; Y605-S607 VanDerWaalsContact C-N 3.33Å; Y605-S607 PolarHBondContact O-N 3.13Å
608	G	81.8	Confident	83	Confident	27 Å²	27	43.2 Å²	43.2	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-84.3	-23.7	176.3	0	0	0	0	0	115.3	G604 Y605 L606 K685	G604-G608 PolarHBondContact O-N 2.73Å; G604-G608 VanDerWaalsContact O-N 3.1Å; Y605-G608 PolarHBondContact O-N 2.92Å; L606-G608 VanDerWaalsContact C-N 3.27Å; L606-G608 PolarHBondContact O-N 2.97Å; G608-K685 PolarHBondContact O-NZ 3.48Å
609	E	85	Confident	82.4	Confident	21 Å²	21	39.3 Å²	39.3	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-90.4	-27.6	179.3	-63.5	-72.2	117.9	0	0	113	Y605 L606 D637 Y638	Y605-E609 HydrophobicContact CD1-CG 4.5Å; Y605-E609 HydrophobicContact CD2-CG 3.73Å; Y605-E609 HydrophobicContact CE1-CG 4.1Å; Y605-E609 HydrophobicContact CE2-CG 3.25Å; Y605-E609 HydrophobicContact CG-CG 4.32Å; Y605-E609 VanDerWaalsContact CZ-CG 3.43Å; Y605-E609 VanDerWaalsContact O-CG 3.29Å; Y605-E609 WeakPolarHBondContact O-CG 3.38Å; Y605-E609 PolarHBondContact O-N 3.01Å; Y605-E609 PolarHBondContact OH-OE2 3.11Å; L606-E609 PolarHBondContact O-N 3.12Å; E609-D637 VanDerWaalsContact O-O 3.08Å; E609-Y638 WeakPolarHBondContact OE2-CE1 3.31Å; E609-Y638 PolarHBondContact OE2-OH 2.07Å
610	L	87.4	Confident	81	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119	-179.4	-68.3	170	0	0	0	112.2	L173 M175 L188 L606 R634 E636	L173-L610 HydrophobicContact CD1-CD1 4.01Å; M175-L610 HydrophobicContact CE-CD2 3.86Å; M175-L610 HydrophobicContact SD-CD1 4.18Å; M175-L610 HydrophobicContact SD-CD2 4.33Å; L188-L610 HydrophobicContact CD2-CD1 4.06Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 WeakPolarHBondContact O-CD1 3.23Å; L606-L610 VanDerWaalsContact O-CG 3.25Å; L606-L610 WeakPolarHBondContact O-CG 3.09Å; L606-L610 PolarHBondContact O-N 2.97Å; L610-R634 HydrophobicContact CB-CB 4.15Å; L610-R634 HydrophobicContact CB-CG 4.49Å; L610-R634 HydrophobicContact CD1-CB 4.37Å; L610-R634 PolarHBondContact O-NH1 3.31Å; L610-E636 HydrophobicContact CD2-CB 4.37Å
611	S	87.1	Confident	79.5	Confident	9 Å²	9	48.3 Å²	48.3	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	147.5	174.4	-74	0	0	0	0	112.3	R634 Y635 D637 R639	S611-R634 VanDerWaalsContact O-CA 3.31Å; S611-R634 WeakPolarHBondContact O-CA 3.38Å; S611-Y635 PolarHBondContact N-O 2.61Å; S611-Y635 WeakPolarHBondContact O-CD1 3.21Å; S611-Y635 PolarHBondContact O-N 2.98Å; S611-D637 WeakPolarHBondContact CB-O 3.33Å; S611-D637 VanDerWaalsContact OG-C 3.27Å; S611-D637 PolarHBondContact OG-O 3.38Å; S611-R639 PolarHBondContact OG-N 3.41Å; S611-R639 PolarHBondContact OG-O 2.03Å
612	M	87	Confident	77.7	Confident	40 Å²	40	52.5 Å²	52.5	20%	0.197	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137	174.5	-70.2	-174.2	-72	0	0	110.8	R634 P641	M612-R634 PolarHBondContact SD-NH2 3.32Å; M612-R634 VanDerWaalsContact SD-NH2 3.43Å; M612-P641 HydrophobicContact CB-CB 4.32Å; M612-P641 HydrophobicContact CE-CB 3.55Å; M612-P641 HydrophobicContact CE-CG 4.28Å
613	F	85.8	Confident	76	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.7	172.2	-174.4	-106.3	0	0	0	110.7	P400 P615 M617 F618 S632 C633 Y635 Y680	P400-F613 HydrophobicContact CB-CD1 4.04Å; P400-F613 HydrophobicContact CB-CE1 4.23Å; P400-F613 HydrophobicContact CB-CG 4.22Å; P400-F613 HydrophobicContact CG-CB 3.76Å; P400-F613 HydrophobicContact CG-CD1 3.8Å; P400-F613 HydrophobicContact CG-CD2 3.7Å; P400-F613 HydrophobicContact CG-CE1 4.32Å; P400-F613 HydrophobicContact CG-CE2 4.23Å; P400-F613 HydrophobicContact CG-CG 3.47Å; P400-F613 VanDerWaalsContact CG-CG 3.47Å; P400-F613 WeakPolarHBondContact O-CE2 3.03Å; P400-F613 WeakPolarHBondContact O-CZ 3.37Å; F613-P615 VanDerWaalsContact O-CD 3.32Å; F613-P615 WeakPolarHBondContact O-CD 2.98Å; F613-M617 HydrophobicContact CE1-CB 4.41Å; F613-M617 HydrophobicContact CE2-SD 4.15Å; F613-M617 HydrophobicContact CZ-CB 4.16Å; F613-M617 HydrophobicContact CZ-CG 4.19Å; F613-M617 HydrophobicContact CZ-SD 3.67Å; F613-F618 AromaticContact CD1-CE2 3.95Å; F613-F618 HydrophobicContact CD1-CE2 3.95Å; F613-F618 HydrophobicContact CE1-CD2 4.07Å; F613-F618 AromaticContact CE1-CE2 3.48Å; F613-F618 HydrophobicContact CE1-CE2 3.48Å; F613-F618 VanDerWaalsContact CE1-CE2 3.48Å; F613-F618 HydrophobicContact CE1-CZ 4.26Å; F613-S632 WeakPolarHBondContact O-CA 3.08Å; F613-C633 PolarHBondContact N-O 2.82Å; F613-C633 PolarHBondContact O-N 3.36Å; F613-Y635 HydrophobicContact CB-CD1 3.78Å; F613-Y635 HydrophobicContact CB-CE1 3.68Å; F613-Y635 HydrophobicContact CD2-CE1 4.49Å; F613-Y680 AromaticContact CD2-CE1 3.78Å; F613-Y680 HydrophobicContact CD2-CE1 3.78Å; F613-Y680 HydrophobicContact CD2-CE2 4.21Å; F613-Y680 AromaticContact CD2-CZ 3.54Å; F613-Y680 WeakPolarHBondContact CD2-OH 3.45Å; F613-Y680 HydrophobicContact CE2-CE1 4.4Å; F613-Y680 AromaticContact CE2-CE2 4Å; F613-Y680 HydrophobicContact CE2-CE2 4Å; F613-Y680 AromaticContact CE2-CZ 3.74Å
614	N	84.2	Confident	74.3	Confident	25 Å²	25	63.9 Å²	63.9	13%	0.134	33%	0.33	C	S	.	.			trans	-86.5	108.8	175.5	-174.3	-11.4	0	0	0	110.9	F616 P642 T644 Y680	N614-F616 PolarHBondContact O-N 2.94Å; N614-F616 WeakPolarHBondContact OD1-CB 3.03Å; N614-F616 WeakPolarHBondContact OD1-CD2 3.23Å; N614-F616 PolarHBondContact OD1-N 3.37Å; N614-F616 VanDerWaalsContact OD1-N 3.16Å; N614-P642 HydrophobicContact CB-CG 4.19Å; N614-T644 PolarHBondContact ND2-OG1 3.06Å; N614-Y680 PolarHBondContact N-OH 2.84Å
615	P	78.9	Confident	73.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-72.2	-8.3	-174	32.3	-37.5	0	0	0	113.9	F185 F613 M617 F618 L630	F185-P615 HydrophobicContact CE1-CB 4.02Å; F185-P615 HydrophobicContact CZ-CB 3.94Å; F613-P615 VanDerWaalsContact O-CD 3.32Å; F613-P615 WeakPolarHBondContact O-CD 2.98Å; P615-M617 PolarHBondContact O-N 3.08Å; P615-F618 HydrophobicContact CB-CD2 4.42Å; P615-F618 WeakPolarHBondContact O-CB 3.4Å; P615-F618 PolarHBondContact O-N 3.25Å; P615-L630 HydrophobicContact CG-CB 4.11Å; P615-L630 HydrophobicContact CG-CG 4.48Å; P615-L630 WeakPolarHBondContact CG-O 3.33Å
616	F	75	Confident	72	Confident	121 Å²	121	69.7 Å²	69.7	53%	0.531	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-54.6	-25.2	177.2	-79	-62.5	0	0	0	113.1	N614 F618 C619	N614-F616 PolarHBondContact O-N 2.94Å; N614-F616 WeakPolarHBondContact OD1-CB 3.03Å; N614-F616 WeakPolarHBondContact OD1-CD2 3.23Å; N614-F616 PolarHBondContact OD1-N 3.37Å; N614-F616 VanDerWaalsContact OD1-N 3.16Å; F616-F618 PolarHBondContact O-N 3.05Å; F616-C619 WeakPolarHBondContact O-CB 2.85Å; F616-C619 PolarHBondContact O-N 3.14Å
617	M	68.5	Low	70.8	Confident	98 Å²	98	69.4 Å²	69.4	48%	0.483	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-64.6	-20.4	175.4	-63.3	-168.9	-179.2	0	0	114	F613 P615 Y680	F613-M617 HydrophobicContact CE1-CB 4.41Å; F613-M617 HydrophobicContact CE2-SD 4.15Å; F613-M617 HydrophobicContact CZ-CB 4.16Å; F613-M617 HydrophobicContact CZ-CG 4.19Å; F613-M617 HydrophobicContact CZ-SD 3.67Å; P615-M617 PolarHBondContact O-N 3.08Å; M617-Y680 HydrophobicContact CE-CE2 4.4Å
618	F	69.6	Low	69.9	Low	38 Å²	38	67.7 Å²	67.7	17%	0.167	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-87.5	-10.4	177.4	-64.6	-76.2	0	0	0	113.6	P177 F185 P400 F613 P615 F616 R620 A627	P177-F618 HydrophobicContact CG-CE1 4.39Å; P177-F618 HydrophobicContact CG-CZ 4.27Å; F185-F618 HydrophobicContact CZ-CD2 4.45Å; P400-F618 HydrophobicContact CB-CE2 4.29Å; P400-F618 HydrophobicContact CB-CZ 3.95Å; F613-F618 AromaticContact CD1-CE2 3.95Å; F613-F618 HydrophobicContact CD1-CE2 3.95Å; F613-F618 HydrophobicContact CE1-CD2 4.07Å; F613-F618 AromaticContact CE1-CE2 3.48Å; F613-F618 HydrophobicContact CE1-CE2 3.48Å; F613-F618 VanDerWaalsContact CE1-CE2 3.48Å; F613-F618 HydrophobicContact CE1-CZ 4.26Å; P615-F618 HydrophobicContact CB-CD2 4.42Å; P615-F618 WeakPolarHBondContact O-CB 3.4Å; P615-F618 PolarHBondContact O-N 3.25Å; F616-F618 PolarHBondContact O-N 3.05Å; F618-R620 PolarHBondContact O-N 3.12Å; F618-A627 HydrophobicContact CB-CB 4.32Å
619	C	69.4	Low	69.5	Low	22 Å²	22	73.6 Å²	73.6	15%	0.149	37%	0.37	C	S	.	.			trans	-71.5	15.9	-175	-75.5	0	0	0	0	115.3	F616 D621 C628	F616-C619 WeakPolarHBondContact O-CB 2.85Å; F616-C619 PolarHBondContact O-N 3.14Å; C619-D621 PolarHBondContact O-N 3.01Å; C619-C628 HydrophobicContact CB-CB 4.39Å; C619-C628 WeakPolarHBondContact CB-SG 3.4Å; C619-C628 WeakPolarHBondContact SG-CA 3.04Å; C619-C628 WeakPolarHBondContact SG-CB 3.38Å; C619-C628 CovalentContact SG-SG 2.04Å; C619-C628 PolarHBondContact SG-SG 2.84Å
620	R	57.4	Low	69.1	Low	213 Å²	213	74.1 Å²	74.1	80%	0.804	37%	0.373	S	S	*	.	S	Bend	trans	-78.2	-16.4	-156.9	-157.3	168.4	174	166.8	-1	115.8	F618	F618-R620 PolarHBondContact O-N 3.12Å
621	D	53.5	Low	68.6	Low	143 Å²	143	78.9 Å²	78.9	77%	0.765	40%	0.403	S	S	*	.	S	Bend	trans	-126.7	-6.4	-177.2	-68.3	-39.3	0	0	0	115.9	C619	C619-D621 PolarHBondContact O-N 3.01Å
622	N	51.3	Low	68.4	Low	123 Å²	123	80 Å²	80	66%	0.658	41%	0.41	S	S	*	.			trans	-156.3	115.4	174.6	-93.9	-32.9	0	0	0	111.6	M624 S625	N622-M624 PolarHBondContact O-N 3.02Å; N622-S625 PolarHBondContact O-N 2.94Å; N622-S625 PolarHBondContact O-OG 3.48Å
623	N	51.2	Low	68.4	Low	156 Å²	156	78 Å²	78	83%	0.834	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-1.7	175.7	-79.4	-5.4	0	0	0	114.4
624	M	49.5	Very low	68.5	Low	186 Å²	186	80.3 Å²	80.3	92%	0.916	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	18.8	-177.1	-155.3	146.5	78.6	0	0	113.5	N622	N622-M624 PolarHBondContact O-N 3.02Å
625	S	59	Low	68.6	Low	42 Å²	42	80.1 Å²	80.1	29%	0.294	41%	0.407	S	S	.	.	S	Bend	trans	-81.6	142.6	170.2	59.1	0	0	0	0	110.7	N622 A627 C628	N622-S625 PolarHBondContact O-N 2.94Å; N622-S625 PolarHBondContact O-OG 3.48Å; S625-A627 PolarHBondContact O-N 3.47Å; S625-C628 PolarHBondContact O-N 2.84Å; S625-C628 PolarHBondContact OG-SG 3.37Å
626	I	63.8	Low	68.9	Low	113 Å²	113	85 Å²	85	58%	0.579	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-52.2	-27.1	175.7	-63.2	168.8	0	0	0	111.1	C628 N629 L630	I626-C628 PolarHBondContact O-N 3.17Å; I626-N629 PolarHBondContact O-N 3.26Å; I626-L630 PolarHBondContact O-N 3.16Å
627	A	59.7	Low	69.4	Low	6 Å²	6	80.6 Å²	80.6	5%	0.05	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-48.2	-39.3	173.6	0	0	0	0	0	114	F185 F618 S625 L630	F185-A627 HydrophobicContact CE2-CB 3.46Å; F185-A627 VanDerWaalsContact CE2-CB 3.46Å; F185-A627 HydrophobicContact CZ-CB 3.76Å; F618-A627 HydrophobicContact CB-CB 4.32Å; S625-A627 PolarHBondContact O-N 3.47Å; A627-L630 PolarHBondContact O-N 3.47Å
628	C	61.9	Low	70.2	Confident	25 Å²	25	77.2 Å²	77.2	17%	0.169	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-84.2	-16.2	-171.4	-53	0	0	0	0	113.8	C619 S625 I626	C619-C628 HydrophobicContact CB-CB 4.39Å; C619-C628 WeakPolarHBondContact CB-SG 3.4Å; C619-C628 WeakPolarHBondContact SG-CA 3.04Å; C619-C628 WeakPolarHBondContact SG-CB 3.38Å; C619-C628 CovalentContact SG-SG 2.04Å; C619-C628 PolarHBondContact SG-SG 2.84Å; S625-C628 PolarHBondContact O-N 2.84Å; S625-C628 PolarHBondContact OG-SG 3.37Å; I626-C628 PolarHBondContact O-N 3.17Å
629	N	74.5	Confident	71.1	Confident	151 Å²	151	77.4 Å²	77.4	81%	0.807	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-10.8	173.2	-73.2	-13.4	0	0	0	112.4	I626	I626-N629 PolarHBondContact O-N 3.26Å
630	L	76.2	Confident	71.9	Confident	32 Å²	32	78.4 Å²	78.4	17%	0.168	40%	0.395	C	S	.	.			trans	-88.3	127.6	-177.3	-164.5	70.4	0	0	0	110.1	M174 F185 P615 I626 A627 S632 C633	M174-L630 HydrophobicContact CB-CD1 4.22Å; M174-L630 HydrophobicContact CB-CD2 3.97Å; M174-L630 HydrophobicContact CG-CD1 3.94Å; M174-L630 HydrophobicContact CG-CD2 4.49Å; F185-L630 HydrophobicContact CD1-CD2 3.67Å; F185-L630 HydrophobicContact CE1-CD2 3.91Å; F185-L630 HydrophobicContact CG-CD2 4.15Å; P615-L630 HydrophobicContact CG-CB 4.11Å; P615-L630 HydrophobicContact CG-CG 4.48Å; P615-L630 WeakPolarHBondContact CG-O 3.33Å; I626-L630 PolarHBondContact O-N 3.16Å; A627-L630 PolarHBondContact O-N 3.47Å; L630-S632 WeakPolarHBondContact CD2-O 3.03Å; L630-S632 WeakPolarHBondContact CG-O 3.36Å; L630-C633 HydrophobicContact CD2-CB 4.07Å
631	T	78.1	Confident	73.2	Confident	111 Å²	111	69.8 Å²	69.8	68%	0.681	37%	0.367	S	S	*	.	S	Bend	trans	-76.9	-32.7	-178.3	52.2	0	0	0	0	113
632	S	81.1	Confident	74.7	Confident	32 Å²	32	63 Å²	63	22%	0.224	33%	0.331	C	S	.	.			trans	-155.9	147.5	177.7	62.5	0	0	0	0	111	F613 L630	F613-S632 WeakPolarHBondContact O-CA 3.08Å; L630-S632 WeakPolarHBondContact CD2-O 3.03Å; L630-S632 WeakPolarHBondContact CG-O 3.36Å
633	C	87.4	Confident	75.9	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.6	165	68.7	0	0	0	0	110.1	M174 C176 F185 F613 L630	M174-C633 CarbonylContact O-C 3.56Å; M174-C633 WeakPolarHBondContact O-CA 3.4Å; C176-C633 HydrophobicContact CB-CB 4.02Å; C176-C633 WeakPolarHBondContact CB-SG 3.36Å; C176-C633 WeakPolarHBondContact SG-CB 3.43Å; C176-C633 CovalentContact SG-SG 2.05Å; C176-C633 PolarHBondContact SG-SG 2.97Å; F185-C633 HydrophobicContact CD1-CB 4Å; F185-C633 HydrophobicContact CE1-CB 3.86Å; F613-C633 PolarHBondContact N-O 2.82Å; F613-C633 PolarHBondContact O-N 3.36Å; L630-C633 HydrophobicContact CD2-CB 4.07Å
634	R	88	Confident	76.7	Confident	49 Å²	49	56.2 Å²	56.2	19%	0.185	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.8	-178.1	-65.2	-65.9	-177.4	141.9	-0.2	111.3	L173 M174 M175 C176 L610 S611 M612	L173-R634 HydrophobicContact CD2-CG 4.41Å; M174-R634 PolarHBondContact O-N 3.25Å; M175-R634 WeakPolarHBondContact CA-O 3.31Å; M175-R634 HydrophobicContact SD-CB 3.85Å; C176-R634 PolarHBondContact N-O 2.96Å; C176-R634 PolarHBondContact SG-O 3.46Å; C176-R634 VanDerWaalsContact SG-O 3.42Å; L610-R634 HydrophobicContact CB-CB 4.15Å; L610-R634 HydrophobicContact CB-CG 4.49Å; L610-R634 HydrophobicContact CD1-CB 4.37Å; L610-R634 PolarHBondContact O-NH1 3.31Å; S611-R634 VanDerWaalsContact O-CA 3.31Å; S611-R634 WeakPolarHBondContact O-CA 3.38Å; M612-R634 PolarHBondContact SD-NH2 3.32Å; M612-R634 VanDerWaalsContact SD-NH2 3.43Å
635	Y	87.1	Confident	77.2	Confident	22 Å²	22	48.5 Å²	48.5	9%	0.086	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.7	172.8	67.7	-74.9	0	0	0	110.6	P400 S611 F613 D637 R639	P400-Y635 HydrophobicContact CG-CD1 3.67Å; P400-Y635 HydrophobicContact CG-CD2 4.29Å; P400-Y635 HydrophobicContact CG-CE1 4.04Å; P400-Y635 HydrophobicContact CG-CG 3.81Å; S611-Y635 PolarHBondContact N-O 2.61Å; S611-Y635 WeakPolarHBondContact O-CD1 3.21Å; S611-Y635 PolarHBondContact O-N 2.98Å; F613-Y635 HydrophobicContact CB-CD1 3.78Å; F613-Y635 HydrophobicContact CB-CE1 3.68Å; F613-Y635 HydrophobicContact CD2-CE1 4.49Å; Y635-D637 HydrophobicContact CD2-CB 3.86Å; Y635-D637 HydrophobicContact CE2-CB 3.52Å; Y635-D637 PolarHBondContact O-N 3.14Å; Y635-R639 WeakPolarHBondContact OH-CD 3.46Å
636	E	84.8	Confident	76.8	Confident	102 Å²	102	48.2 Å²	48.2	48%	0.477	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	99.5	179.8	-169.3	-164.2	160	0	0	110.3	P417 L610	P417-E636 WeakPolarHBondContact CA-OE2 3.24Å; L610-E636 HydrophobicContact CD2-CB 4.37Å
637	D	84.9	Confident	76	Confident	29 Å²	29	47 Å²	47	16%	0.155	26%	0.261	C	S	.	.	S	Bend	trans	-165.9	170.2	167.1	-155.7	-13.7	0	0	0	107.9	E609 S611 Y635 R639	E609-D637 VanDerWaalsContact O-O 3.08Å; S611-D637 WeakPolarHBondContact CB-O 3.33Å; S611-D637 VanDerWaalsContact OG-C 3.27Å; S611-D637 PolarHBondContact OG-O 3.38Å; Y635-D637 HydrophobicContact CD2-CB 3.86Å; Y635-D637 HydrophobicContact CE2-CB 3.52Å; Y635-D637 PolarHBondContact O-N 3.14Å; D637-R639 HydrophobicContact CB-CG 4.36Å; D637-R639 WeakPolarHBondContact OD2-CD 3.24Å; D637-R639 IonicContact OD2-CZ 2.64Å; D637-R639 IonicContact OD2-NE 2.68Å; D637-R639 PolarHBondContact OD2-NE 2.99Å; D637-R639 IonicContact OD2-NH2 3.39Å
638	Y	86.3	Confident	75.2	Confident	27 Å²	27	54.4 Å²	54.4	11%	0.106	29%	0.289	C	S	.	.			trans	-107.7	59.9	177.5	-58	-81.7	0	0	0	111.8	P588 E609 T683 K685 W686 V689	P588-Y638 WeakPolarHBondContact CB-OH 3.3Å; E609-Y638 WeakPolarHBondContact OE2-CE1 3.31Å; E609-Y638 PolarHBondContact OE2-OH 2.07Å; Y638-T683 WeakPolarHBondContact O-CB 3.44Å; Y638-T683 WeakPolarHBondContact O-CG2 3.43Å; Y638-T683 PolarHBondContact O-N 2.89Å; Y638-T683 PolarHBondContact O-OG1 3.14Å; Y638-K685 HydrophobicContact CD1-CB 4.27Å; Y638-W686 HydrophobicContact CD2-CB 4.47Å; Y638-W686 AromaticContact CD2-CD1 3.77Å; Y638-W686 HydrophobicContact CD2-CG 4.42Å; Y638-W686 HydrophobicContact CG-CB 4.35Å; Y638-V689 HydrophobicContact CE1-CG2 4.33Å; Y638-V689 HydrophobicContact CE2-CG1 4.27Å
639	R	87.7	Confident	74.1	Confident	41 Å²	41	56 Å²	56	16%	0.155	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-105.4	152.7	-177.2	-71.8	173.5	179.4	-96	2.7	112.4	L399 S611 Y635 D637 Y680 S681 M682 T683	L399-R639 VanDerWaalsContact CD1-NH1 3.26Å; S611-R639 PolarHBondContact OG-N 3.41Å; S611-R639 PolarHBondContact OG-O 2.03Å; Y635-R639 WeakPolarHBondContact OH-CD 3.46Å; D637-R639 HydrophobicContact CB-CG 4.36Å; D637-R639 WeakPolarHBondContact OD2-CD 3.24Å; D637-R639 IonicContact OD2-CZ 2.64Å; D637-R639 IonicContact OD2-NE 2.68Å; D637-R639 PolarHBondContact OD2-NE 2.99Å; D637-R639 IonicContact OD2-NH2 3.39Å; R639-Y680 PolarHBondContact NH1-O 3.42Å; R639-S681 WeakPolarHBondContact CA-O 3.37Å; R639-M682 HydrophobicContact CG-SD 3.8Å; R639-T683 VanDerWaalsContact C-CG2 3.46Å
640	K	86.6	Confident	72.3	Confident	43 Å²	43	54.2 Å²	54.2	19%	0.187	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.5	143.1	174.7	-66.8	-168.3	-173.3	-160.4	0	109.8	D675 D677 S681 T683	K640-D675 VanDerWaalsContact CE-OD1 3.25Å; K640-D675 WeakPolarHBondContact CE-OD1 3.43Å; K640-D675 IonicContact NZ-OD1 3.72Å; K640-D675 PolarHBondContact NZ-OD1 3.02Å; K640-D677 HydrophobicContact CB-CB 4Å; K640-D677 HydrophobicContact CD-CB 3.89Å; K640-S681 PolarHBondContact N-O 2.87Å; K640-T683 HydrophobicContact CG-CG2 3.94Å
641	P	85.2	Confident	70.6	Confident	32 Å²	32	58.2 Å²	58.2	21%	0.208	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-69.3	153.1	174.7	31	-35.8	0	0	0	110.9	M612 C676 D677	M612-P641 HydrophobicContact CB-CB 4.32Å; M612-P641 HydrophobicContact CE-CB 3.55Å; M612-P641 HydrophobicContact CE-CG 4.28Å; P641-C676 WeakPolarHBondContact O-CA 3.47Å; P641-C676 WeakPolarHBondContact O-CB 3.32Å; P641-D677 PolarHBondContact O-N 3.18Å
642	P	83.6	Confident	68.6	Low	2 Å²	2	57 Å²	57	1%	0.013	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-70	140.2	175	28	-28.9	0	0	0	109.5	N614 T644 A645 Y680	N614-P642 HydrophobicContact CB-CG 4.19Å; P642-T644 PolarHBondContact O-N 2.88Å; P642-A645 HydrophobicContact CG-CB 3.74Å; P642-A645 PolarHBondContact O-N 2.95Å; P642-A645 VanDerWaalsContact O-N 3.08Å; P642-Y680 HydrophobicContact CB-CE1 4.02Å; P642-Y680 HydrophobicContact CG-CE1 3.92Å
643	C	77.5	Confident	66.5	Low	37 Å²	37	66.8 Å²	66.8	25%	0.25	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-63	-28.3	-178.7	-66.4	0	0	0	0	111.6	A645 C676 D678	C643-A645 VanDerWaalsContact C-N 3.29Å; C643-A645 PolarHBondContact O-N 3.13Å; C643-C676 WeakPolarHBondContact CA-SG 3.24Å; C643-C676 HydrophobicContact CB-CB 3.94Å; C643-C676 WeakPolarHBondContact CB-SG 3.44Å; C643-C676 WeakPolarHBondContact SG-CB 3.41Å; C643-C676 CovalentContact SG-SG 2.05Å; C643-C676 PolarHBondContact SG-SG 3.15Å; C643-D678 WeakPolarHBondContact CB-OD1 3.47Å; C643-D678 PolarHBondContact N-OD1 3.48Å
644	T	67.8	Low	64.1	Low	98 Å²	98	75.8 Å²	75.8	60%	0.601	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-68.9	-21.7	176.2	61.3	0	0	0	0	114.6	N614 P642	N614-T644 PolarHBondContact ND2-OG1 3.06Å; P642-T644 PolarHBondContact O-N 2.88Å
645	A	59.8	Low	61.5	Low	24 Å²	24	76.7 Å²	76.7	20%	0.198	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-101.2	-2	-177.8	0	0	0	0	0	113.2	P642 C643 P647	P642-A645 HydrophobicContact CG-CB 3.74Å; P642-A645 PolarHBondContact O-N 2.95Å; P642-A645 VanDerWaalsContact O-N 3.08Å; C643-A645 VanDerWaalsContact C-N 3.29Å; C643-A645 PolarHBondContact O-N 3.13Å; A645-P647 WeakPolarHBondContact O-CD 3.43Å
646	N	51.4	Low	58.9	Low	37 Å²	37	83.3 Å²	83.3	20%	0.198	43%	0.434	C	S	.	.			trans	-76.3	113.2	-179.3	-163	2.6	0	0	0	109.2	Y648 A649	N646-Y648 PolarHBondContact O-N 3.25Å; N646-A649 HydrophobicContact CB-CB 4.17Å; N646-A649 WeakPolarHBondContact O-CB 3.44Å; N646-A649 PolarHBondContact O-N 2.04Å
647	P	47.1	Very low	56.5	Low	88 Å²	88	85.4 Å²	85.4	57%	0.571	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.5	-179.3	-19.2	32.1	0	0	0	113.2	A645 T650	A645-P647 WeakPolarHBondContact O-CD 3.43Å; P647-T650 PolarHBondContact O-OG1 3.48Å
648	Y	42.7	Very low	54.1	Low	160 Å²	160	93.9 Å²	93.9	63%	0.627	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-14.6	178.7	-59.7	-74.9	0	0	0	113.9	N646 T650 L651	N646-Y648 PolarHBondContact O-N 3.25Å; Y648-T650 PolarHBondContact O-N 2.9Å; Y648-L651 PolarHBondContact O-N 3Å
649	A	38.7	Very low	51.5	Low	58 Å²	58	97.7 Å²	97.7	48%	0.479	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.1	178.5	0	0	0	0	0	113.2	N646	N646-A649 HydrophobicContact CB-CB 4.17Å; N646-A649 WeakPolarHBondContact O-CB 3.44Å; N646-A649 PolarHBondContact O-N 2.04Å
650	T	37.2	Very low	48.8	Very low	115 Å²	115	101.1 Å²	101.1	71%	0.706	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-13.2	178.1	48.8	0	0	0	0	114.3	P647 Y648	P647-T650 PolarHBondContact O-OG1 3.48Å; Y648-T650 PolarHBondContact O-N 2.9Å
651	L	39.7	Very low	46.3	Very low	115 Å²	115	107 Å²	107	60%	0.602	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-26.9	-177.4	-83.3	155.5	0	0	0	113.1	Y648 R653	Y648-L651 PolarHBondContact O-N 3Å; L651-R653 VanDerWaalsContact C-N 3.34Å; L651-R653 PolarHBondContact O-N 3.16Å
652	D	35.5	Very low	43.7	Very low	85 Å²	85	113.4 Å²	113.4	46%	0.455	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88	5.5	-174.5	-119	-4.4	0	0	0	115.4	Q654 L673	D652-Q654 VanDerWaalsContact C-N 3.28Å; D652-L673 VanDerWaalsContact OD2-CD1 3.23Å; D652-L673 WeakPolarHBondContact OD2-CD1 3.25Å; D652-L673 WeakPolarHBondContact OD2-CD2 3.44Å
653	R	36.7	Very low	41.2	Very low	239 Å²	239	116.4 Å²	116.4	90%	0.902	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-2.4	170.6	-139.9	175.4	-165.3	157.7	4.7	113.1	L651	L651-R653 VanDerWaalsContact C-N 3.34Å; L651-R653 PolarHBondContact O-N 3.16Å
654	Q	37.9	Very low	38.9	Very low	188 Å²	188	122.4 Å²	122.4	88%	0.879	67%	0.666	S	S	*	*	S	Bend	trans	-135.5	-0.5	-172.9	-88.7	-176.5	-19.6	0	0	116.9	D652	D652-Q654 VanDerWaalsContact C-N 3.28Å
655	S	34.4	Very low	37.1	Very low	68 Å²	68	130 Å²	130	48%	0.476	68%	0.683	S	S	.	*			trans	-135.6	83.8	179.5	59.9	0	0	0	0	113.6	D657	S655-D657 PolarHBondContact O-N 3.18Å
656	N	32.4	Very low	35.8	Very low	161 Å²	161	132.1 Å²	132.1	86%	0.861	70%	0.697	S	S	*	*			trans	-72.2	77.4	159.8	-70.3	-31.9	0	0	0	108.8
657	D	34.5	Very low	35	Very low	146 Å²	146	137.9 Å²	137.9	78%	0.781	73%	0.727	S	S	*	*			trans	-173.7	90.7	165.9	-90.5	-31.6	0	0	0	110.3	S655	S655-D657 PolarHBondContact O-N 3.18Å
658	F	32.8	Very low	34.5	Very low	207 Å²	207	138.8 Å²	138.8	91%	0.908	72%	0.719	S	S	*	*			trans	-151.6	132.8	149.7	-115.4	-80.2	0	0	0	111.9
659	P	32.6	Very low	34	Very low	107 Å²	107	136.7 Å²	136.7	70%	0.695	73%	0.725	S	S	*	*			trans	-86	148.2	-171.9	1	19.2	0	0	0	112.4	I661	P659-I661 PolarHBondContact O-N 2.75Å
660	S	29.9	Very low	33.6	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	74%	0.738	S	S	*	*			trans	-61.4	117.5	171.8	53.7	0	0	0	0	112.7
661	I	34.3	Very low	33.5	Very low	167 Å²	167	139 Å²	139	86%	0.856	73%	0.733	S	S	*	*			trans	-113.9	112.3	163.6	-63.1	-178.3	0	0	0	109.3	P659	P659-I661 PolarHBondContact O-N 2.75Å
662	I	31.7	Very low	33.5	Very low	166 Å²	166	137 Å²	137	85%	0.851	74%	0.741	S	S	*	*			trans	-67.6	134.6	173.1	-65.8	161.3	0	0	0	109.3
663	G	30.4	Very low	33.8	Very low	66 Å²	66	138.2 Å²	138.2	68%	0.68	75%	0.747	S	S	*	*			trans	178	84.8	171.2	0	0	0	0	0	116.9
664	N	29.7	Very low	34.5	Very low	163 Å²	163	135.1 Å²	135.1	87%	0.872	74%	0.742	S	S	*	*			trans	68.1	111.9	148.2	-72.9	-21.1	0	0	0	121.4
665	R	30.1	Very low	36	Very low	256 Å²	256	130.7 Å²	130.7	97%	0.966	73%	0.725	S	S	*	*			trans	64.8	55.6	141.3	-150.6	-176.2	-119.3	-147.4	0.5	116.4
666	S	31.7	Very low	38.2	Very low	69 Å²	69	129.2 Å²	129.2	48%	0.483	71%	0.714	S	S	.	*			trans	-118.1	124.1	155.3	57.7	0	0	0	0	109.5	W668	S666-W668 PolarHBondContact O-N 3.08Å; S666-W668 PolarHBondContact OG-O 3.36Å; S666-W668 VanDerWaalsContact OG-O 3.12Å
667	L	35	Very low	40.5	Very low	159 Å²	159	124 Å²	124	83%	0.832	69%	0.686	S	S	*	*	S	Bend	trans	-75.1	42.4	168.1	-164.8	86.2	0	0	0	109.9
668	W	36.1	Very low	42.6	Very low	107 Å²	107	121.4 Å²	121.4	41%	0.405	67%	0.672	S	S	.	*	S	Bend	trans	-157	139.5	177.2	-63.9	103.9	0	0	0	109.2	S666 T670 I684 I688	S666-W668 PolarHBondContact O-N 3.08Å; S666-W668 PolarHBondContact OG-O 3.36Å; S666-W668 VanDerWaalsContact OG-O 3.12Å; W668-T670 PolarHBondContact O-N 2.75Å; W668-T670 VanDerWaalsContact O-N 3.16Å; W668-I684 HydrophobicContact CE3-CG2 4.49Å; W668-I684 HydrophobicContact CH2-CG1 3.71Å; W668-I684 HydrophobicContact CH2-CG2 4.11Å; W668-I684 HydrophobicContact CZ3-CB 4.4Å; W668-I684 HydrophobicContact CZ3-CG1 3.81Å; W668-I684 HydrophobicContact CZ3-CG2 3.79Å; W668-I688 HydrophobicContact CH2-CD1 3.72Å; W668-I688 HydrophobicContact CZ2-CD1 3.61Å
669	P	32.3	Very low	44.8	Very low	115 Å²	115	114.1 Å²	114.1	75%	0.747	66%	0.655	S	S	*	*			trans	-69.7	113.4	-175.8	27	-27.9	0	0	0	109.9	T671	P669-T671 PolarHBondContact O-N 3.45Å
670	T	30.4	Very low	47.2	Very low	121 Å²	121	109.5 Å²	109.5	74%	0.742	62%	0.624	S	S	*	*			trans	-76.3	73.2	169.6	48.5	0	0	0	0	109.8	W668	W668-T670 PolarHBondContact O-N 2.75Å; W668-T670 VanDerWaalsContact O-N 3.16Å
671	T	35.1	Very low	49.9	Very low	101 Å²	101	106.3 Å²	106.3	62%	0.62	60%	0.602	S	S	*	*			trans	-152.4	100.1	159.5	45.4	0	0	0	0	108.1	P669 L673	P669-T671 PolarHBondContact O-N 3.45Å; T671-L673 PolarHBondContact O-N 3.23Å
672	G	40	Very low	52.4	Low	74 Å²	74	101.2 Å²	101.2	76%	0.763	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	31.2	-172.8	0	0	0	0	0	116.5
673	L	41.3	Very low	55	Low	109 Å²	109	94.3 Å²	94.3	57%	0.571	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-12.9	-171.3	-123.5	89.2	0	0	0	115.8	D652 T671	D652-L673 VanDerWaalsContact OD2-CD1 3.23Å; D652-L673 WeakPolarHBondContact OD2-CD1 3.25Å; D652-L673 WeakPolarHBondContact OD2-CD2 3.44Å; T671-L673 PolarHBondContact O-N 3.23Å
674	E	52.4	Low	57.8	Low	174 Å²	174	95 Å²	95	81%	0.813	53%	0.528	S	S	*	.	S	Bend	trans	-115.2	2.4	-169.6	-75.7	-173.1	144.9	0	0	116.4
675	D	69.9	Low	60.6	Low	96 Å²	96	89.9 Å²	89.9	51%	0.513	50%	0.498	S	S	.	.			trans	-109.5	30.2	-169.1	-125.3	10.1	0	0	0	115	K640	K640-D675 VanDerWaalsContact CE-OD1 3.25Å; K640-D675 WeakPolarHBondContact CE-OD1 3.43Å; K640-D675 IonicContact NZ-OD1 3.72Å; K640-D675 PolarHBondContact NZ-OD1 3.02Å
676	C	79.1	Confident	63.4	Low	36 Å²	36	81 Å²	81	24%	0.243	46%	0.464	C	S	.	.			trans	-98.5	149.2	167.3	73	0	0	0	0	111.1	P641 C643	P641-C676 WeakPolarHBondContact O-CA 3.47Å; P641-C676 WeakPolarHBondContact O-CB 3.32Å; C643-C676 WeakPolarHBondContact CA-SG 3.24Å; C643-C676 HydrophobicContact CB-CB 3.94Å; C643-C676 WeakPolarHBondContact CB-SG 3.44Å; C643-C676 WeakPolarHBondContact SG-CB 3.41Å; C643-C676 CovalentContact SG-SG 2.05Å; C643-C676 PolarHBondContact SG-SG 3.15Å
677	D	82.2	Confident	66.3	Low	51 Å²	51	84.9 Å²	84.9	27%	0.273	47%	0.469	S	S	.	.			trans	-152.5	118	176	175.5	21.4	0	0	0	110	K640 P641 G679 Y680 S681	K640-D677 HydrophobicContact CB-CB 4Å; K640-D677 HydrophobicContact CD-CB 3.89Å; P641-D677 PolarHBondContact O-N 3.18Å; D677-G679 PolarHBondContact O-N 3.44Å; D677-G679 PolarHBondContact OD1-N 2.05Å; D677-Y680 PolarHBondContact O-N 3.05Å; D677-S681 WeakPolarHBondContact OD2-CB 3.19Å; D677-S681 PolarHBondContact OD2-N 3.22Å; D677-S681 PolarHBondContact OD2-OG 2.78Å
678	D	78.2	Confident	69	Low	92 Å²	92	78.9 Å²	78.9	49%	0.492	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.2	177.5	-65.4	-30.4	0	0	0	112.4	C643 Y680	C643-D678 WeakPolarHBondContact CB-OD1 3.47Å; C643-D678 PolarHBondContact N-OD1 3.48Å; D678-Y680 VanDerWaalsContact C-N 3.27Å; D678-Y680 WeakPolarHBondContact O-CD2 3.4Å
679	G	79.2	Confident	71.7	Confident	54 Å²	54	74 Å²	74	56%	0.557	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.8	169.9	0	0	0	0	0	114.5	D677 S681	D677-G679 PolarHBondContact O-N 3.44Å; D677-G679 PolarHBondContact OD1-N 2.05Å; G679-S681 VanDerWaalsContact C-N 3.33Å; G679-S681 PolarHBondContact O-N 2.97Å
680	Y	83.4	Confident	74.6	Confident	10 Å²	10	70.7 Å²	70.7	4%	0.039	40%	0.395	C	S	.	.			trans	51.2	45.6	-178.3	-58.2	-87.2	0	0	0	113.3	L399 F613 N614 M617 R639 P642 D677 D678	L399-Y680 HydrophobicContact CD2-CD2 3.47Å; L399-Y680 VanDerWaalsContact CD2-CD2 3.47Å; L399-Y680 HydrophobicContact CD2-CE2 4.26Å; L399-Y680 HydrophobicContact CD2-CG 3.63Å; F613-Y680 AromaticContact CD2-CE1 3.78Å; F613-Y680 HydrophobicContact CD2-CE1 3.78Å; F613-Y680 HydrophobicContact CD2-CE2 4.21Å; F613-Y680 AromaticContact CD2-CZ 3.54Å; F613-Y680 WeakPolarHBondContact CD2-OH 3.45Å; F613-Y680 HydrophobicContact CE2-CE1 4.4Å; F613-Y680 AromaticContact CE2-CE2 4Å; F613-Y680 HydrophobicContact CE2-CE2 4Å; F613-Y680 AromaticContact CE2-CZ 3.74Å; N614-Y680 PolarHBondContact N-OH 2.84Å; M617-Y680 HydrophobicContact CE-CE2 4.4Å; R639-Y680 PolarHBondContact NH1-O 3.42Å; P642-Y680 HydrophobicContact CB-CE1 4.02Å; P642-Y680 HydrophobicContact CG-CE1 3.92Å; D677-Y680 PolarHBondContact O-N 3.05Å; D678-Y680 VanDerWaalsContact C-N 3.27Å; D678-Y680 WeakPolarHBondContact O-CD2 3.4Å
681	S	86.6	Confident	77.7	Confident	46 Å²	46	67.7 Å²	67.7	32%	0.322	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-59.4	160.3	173.1	56.4	0	0	0	0	112.7	R639 K640 D677 G679	R639-S681 WeakPolarHBondContact CA-O 3.37Å; K640-S681 PolarHBondContact N-O 2.87Å; D677-S681 WeakPolarHBondContact OD2-CB 3.19Å; D677-S681 PolarHBondContact OD2-N 3.22Å; D677-S681 PolarHBondContact OD2-OG 2.78Å; G679-S681 VanDerWaalsContact C-N 3.33Å; G679-S681 PolarHBondContact O-N 2.97Å
682	M	85.7	Confident	80.6	Confident	61 Å²	61	65.9 Å²	65.9	30%	0.3	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-68.5	139.9	177.3	-65.5	-59.1	-171.5	0	0	111	R639 W686	R639-M682 HydrophobicContact CG-SD 3.8Å; M682-W686 HydrophobicContact CB-CB 4.23Å; M682-W686 HydrophobicContact CB-CG 4.32Å; M682-W686 HydrophobicContact CG-CD2 4.31Å; M682-W686 HydrophobicContact CG-CG 4.32Å; M682-W686 HydrophobicContact SD-CD2 4.38Å; M682-W686 HydrophobicContact SD-CG 4.01Å
683	T	87.3	Confident	83.2	Confident	20 Å²	20	63.5 Å²	63.5	12%	0.123	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-75.5	162	173.2	61.6	0	0	0	0	111.4	Y638 R639 K640 K685 W686	Y638-T683 WeakPolarHBondContact O-CB 3.44Å; Y638-T683 WeakPolarHBondContact O-CG2 3.43Å; Y638-T683 PolarHBondContact O-N 2.89Å; Y638-T683 PolarHBondContact O-OG1 3.14Å; R639-T683 VanDerWaalsContact C-CG2 3.46Å; K640-T683 HydrophobicContact CG-CG2 3.94Å; T683-K685 PolarHBondContact O-N 3.37Å; T683-K685 WeakPolarHBondContact OG1-CB 3.19Å; T683-K685 PolarHBondContact OG1-N 3.37Å; T683-W686 VanDerWaalsContact O-CB 3.31Å; T683-W686 WeakPolarHBondContact O-CB 3.48Å; T683-W686 PolarHBondContact O-N 3.15Å; T683-W686 VanDerWaalsContact O-N 3.15Å; T683-W686 PolarHBondContact OG1-N 2.89Å
684	I	87.8	Confident	85.8	Confident	81 Å²	81	62.4 Å²	62.4	42%	0.415	33%	0.329	S	S	.	.	H	α-helix	trans	-60.1	-28.9	170.5	-166.6	62.8	0	0	0	112.1	W668 W686 W687 I688	W668-I684 HydrophobicContact CE3-CG2 4.49Å; W668-I684 HydrophobicContact CH2-CG1 3.71Å; W668-I684 HydrophobicContact CH2-CG2 4.11Å; W668-I684 HydrophobicContact CZ3-CB 4.4Å; W668-I684 HydrophobicContact CZ3-CG1 3.81Å; W668-I684 HydrophobicContact CZ3-CG2 3.79Å; I684-W686 VanDerWaalsContact C-N 3.27Å; I684-W686 PolarHBondContact O-N 3.31Å; I684-W687 PolarHBondContact O-N 2.99Å; I684-I688 HydrophobicContact CG1-CD1 4.3Å; I684-I688 WeakPolarHBondContact O-CG1 3.34Å; I684-I688 PolarHBondContact O-N 3.49Å; I684-I688 VanDerWaalsContact O-N 3.14Å
685	K	88.1	Confident	87.8	Confident	56 Å²	56	57.9 Å²	57.9	24%	0.243	31%	0.31	C	S	.	.	H	α-helix	trans	-57.2	-42	175.6	-55.6	-167	177.3	176.5	0	111.4	F596 G608 Y638 T683 W687 I688 V689	F596-K685 HydrophobicContact CD1-CD 4.44Å; F596-K685 HydrophobicContact CE1-CD 3.98Å; F596-K685 HydrophobicContact CE1-CG 3.76Å; F596-K685 HydrophobicContact CE2-CG 4.34Å; F596-K685 HydrophobicContact CZ-CB 4.19Å; F596-K685 HydrophobicContact CZ-CD 4.03Å; F596-K685 HydrophobicContact CZ-CG 3.57Å; G608-K685 PolarHBondContact O-NZ 3.48Å; Y638-K685 HydrophobicContact CD1-CB 4.27Å; T683-K685 PolarHBondContact O-N 3.37Å; T683-K685 WeakPolarHBondContact OG1-CB 3.19Å; T683-K685 PolarHBondContact OG1-N 3.37Å; K685-W687 VanDerWaalsContact C-N 3.32Å; K685-W687 PolarHBondContact O-N 3.12Å; K685-I688 PolarHBondContact O-N 3.3Å; K685-V689 WeakPolarHBondContact O-CG2 3.37Å; K685-V689 PolarHBondContact O-N 2.99Å
686	W	89.4	Confident	89	Confident	68 Å²	68	55.2 Å²	55.2	26%	0.258	29%	0.294	S	S	.	.	H	α-helix	trans	-55.3	-47.5	178.2	-170.2	92.5	0	0	0	111.9	Y638 M682 T683 I684 V689 L690	Y638-W686 HydrophobicContact CD2-CB 4.47Å; Y638-W686 AromaticContact CD2-CD1 3.77Å; Y638-W686 HydrophobicContact CD2-CG 4.42Å; Y638-W686 HydrophobicContact CG-CB 4.35Å; M682-W686 HydrophobicContact CB-CB 4.23Å; M682-W686 HydrophobicContact CB-CG 4.32Å; M682-W686 HydrophobicContact CG-CD2 4.31Å; M682-W686 HydrophobicContact CG-CG 4.32Å; M682-W686 HydrophobicContact SD-CD2 4.38Å; M682-W686 HydrophobicContact SD-CG 4.01Å; T683-W686 VanDerWaalsContact O-CB 3.31Å; T683-W686 WeakPolarHBondContact O-CB 3.48Å; T683-W686 PolarHBondContact O-N 3.15Å; T683-W686 VanDerWaalsContact O-N 3.15Å; T683-W686 PolarHBondContact OG1-N 2.89Å; I684-W686 VanDerWaalsContact C-N 3.27Å; I684-W686 PolarHBondContact O-N 3.31Å; W686-V689 PolarHBondContact O-N 3.43Å; W686-L690 HydrophobicContact CE3-CD2 4.39Å; W686-L690 HydrophobicContact CH2-CD2 3.58Å; W686-L690 HydrophobicContact CZ2-CD2 4.38Å; W686-L690 HydrophobicContact CZ3-CD2 3.59Å; W686-L690 WeakPolarHBondContact O-CB 3.41Å; W686-L690 PolarHBondContact O-N 3.4Å
687	W	92.3	Very high	89.7	Confident	152 Å²	152	54.5 Å²	54.5	58%	0.576	29%	0.289	S	S	*	.	H	α-helix	trans	-67.5	-38.9	-179.3	-72.5	104.2	0	0	0	112.6	I684 K685 L690 A691	I684-W687 PolarHBondContact O-N 2.99Å; K685-W687 VanDerWaalsContact C-N 3.32Å; K685-W687 PolarHBondContact O-N 3.12Å; W687-L690 HydrophobicContact CE3-CD2 4.36Å; W687-L690 HydrophobicContact CZ3-CD2 4.35Å; W687-L690 PolarHBondContact O-N 3.35Å; W687-A691 WeakPolarHBondContact O-CB 3.32Å; W687-A691 PolarHBondContact O-N 3.13Å
688	I	93.3	Very high	90.3	Very high	33 Å²	33	56.4 Å²	56.4	17%	0.169	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-48.3	175.9	-65	168	0	0	0	110.1	V591 F596 W668 I684 K685 L690 A691 M692	V591-I688 HydrophobicContact CG1-CG2 3.95Å; F596-I688 HydrophobicContact CZ-CD1 4.26Å; W668-I688 HydrophobicContact CH2-CD1 3.72Å; W668-I688 HydrophobicContact CZ2-CD1 3.61Å; I684-I688 HydrophobicContact CG1-CD1 4.3Å; I684-I688 WeakPolarHBondContact O-CG1 3.34Å; I684-I688 PolarHBondContact O-N 3.49Å; I684-I688 VanDerWaalsContact O-N 3.14Å; K685-I688 PolarHBondContact O-N 3.3Å; I688-L690 VanDerWaalsContact C-N 3.32Å; I688-L690 PolarHBondContact O-N 3.49Å; I688-A691 PolarHBondContact O-N 3.03Å; I688-M692 HydrophobicContact CG2-CG 4.37Å; I688-M692 WeakPolarHBondContact O-CB 3.43Å; I688-M692 VanDerWaalsContact O-CG 3.27Å; I688-M692 WeakPolarHBondContact O-CG 3.45Å; I688-M692 PolarHBondContact O-N 3.12Å
689	V	91.9	Very high	91	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-43.9	178.1	173.3	0	0	0	0	110.3	P588 V591 Y638 K685 W686 M692 R693	P588-V689 HydrophobicContact CG-CG1 4.17Å; V591-V689 HydrophobicContact CB-CG2 4.44Å; V591-V689 HydrophobicContact CG1-CG2 4.04Å; Y638-V689 HydrophobicContact CE1-CG2 4.33Å; Y638-V689 HydrophobicContact CE2-CG1 4.27Å; K685-V689 WeakPolarHBondContact O-CG2 3.37Å; K685-V689 PolarHBondContact O-N 2.99Å; W686-V689 PolarHBondContact O-N 3.43Å; V689-M692 PolarHBondContact O-N 3.16Å; V689-R693 HydrophobicContact CG1-CG 4.4Å; V689-R693 WeakPolarHBondContact O-CB 3.14Å; V689-R693 VanDerWaalsContact O-CG 3.24Å; V689-R693 WeakPolarHBondContact O-CG 3.43Å; V689-R693 PolarHBondContact O-N 2.93Å
690	L	92.7	Very high	91.6	Very high	47 Å²	47	55.3 Å²	55.3	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-46.4	176.4	-179.2	63.8	0	0	0	112.5	F582 W686 W687 I688 M692 R693 I694	F582-L690 HydrophobicContact CE1-CD1 4.32Å; W686-L690 HydrophobicContact CE3-CD2 4.39Å; W686-L690 HydrophobicContact CH2-CD2 3.58Å; W686-L690 HydrophobicContact CZ2-CD2 4.38Å; W686-L690 HydrophobicContact CZ3-CD2 3.59Å; W686-L690 WeakPolarHBondContact O-CB 3.41Å; W686-L690 PolarHBondContact O-N 3.4Å; W687-L690 HydrophobicContact CE3-CD2 4.36Å; W687-L690 HydrophobicContact CZ3-CD2 4.35Å; W687-L690 PolarHBondContact O-N 3.35Å; I688-L690 VanDerWaalsContact C-N 3.32Å; I688-L690 PolarHBondContact O-N 3.49Å; L690-M692 VanDerWaalsContact C-N 3.33Å; L690-M692 PolarHBondContact O-N 3.36Å; L690-R693 WeakPolarHBondContact O-CB 3.29Å; L690-R693 PolarHBondContact O-N 2.77Å; L690-I694 HydrophobicContact CD1-CD1 4.2Å; L690-I694 HydrophobicContact CD1-CG1 4.49Å; L690-I694 HydrophobicContact CG-CD1 4.13Å; L690-I694 WeakPolarHBondContact O-CG1 3.12Å; L690-I694 PolarHBondContact O-N 3.47Å
691	A	95.8	Very high	92	Very high	57 Å²	57	58.9 Å²	58.9	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-42.8	178.1	0	0	0	0	0	111.5	W687 I688 I694 L695	W687-A691 WeakPolarHBondContact O-CB 3.32Å; W687-A691 PolarHBondContact O-N 3.13Å; I688-A691 PolarHBondContact O-N 3.03Å; A691-I694 PolarHBondContact O-N 3.05Å; A691-L695 VanDerWaalsContact O-CB 3.31Å; A691-L695 WeakPolarHBondContact O-CB 3.38Å; A691-L695 PolarHBondContact O-N 3.17Å
692	M	95.6	Very high	92.2	Very high	64 Å²	64	61.1 Å²	61.1	32%	0.315	30%	0.304	S	S	.	.	H	α-helix	trans	-68.5	-35.2	177.8	-67.7	-60.4	-68.8	0	0	112.5	V587 V591 I688 V689 L690 L695 F696	V587-M692 HydrophobicContact CG1-CB 4.01Å; V591-M692 HydrophobicContact CG2-CB 3.81Å; V591-M692 HydrophobicContact CG2-CG 3.79Å; I688-M692 HydrophobicContact CG2-CG 4.37Å; I688-M692 WeakPolarHBondContact O-CB 3.43Å; I688-M692 VanDerWaalsContact O-CG 3.27Å; I688-M692 WeakPolarHBondContact O-CG 3.45Å; I688-M692 PolarHBondContact O-N 3.12Å; V689-M692 PolarHBondContact O-N 3.16Å; L690-M692 VanDerWaalsContact C-N 3.33Å; L690-M692 PolarHBondContact O-N 3.36Å; M692-L695 HydrophobicContact SD-CD2 4.14Å; M692-F696 VanDerWaalsContact O-CB 3.31Å; M692-F696 WeakPolarHBondContact O-CB 3.5Å; M692-F696 PolarHBondContact O-N 3.25Å
693	R	94.9	Very high	92.4	Very high	24 Å²	24	63.2 Å²	63.2	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-48.9	171.8	-76.7	177.1	164.1	148.7	2.3	111.5	A581 F582 V587 V689 L690 F696 V697	A581-R693 HydrophobicContact CB-CB 4.2Å; A581-R693 HydrophobicContact CB-CG 4.4Å; A581-R693 WeakPolarHBondContact O-CD 3.5Å; A581-R693 VanDerWaalsContact O-CG 3.24Å; A581-R693 WeakPolarHBondContact O-CG 3.49Å; A581-R693 PolarHBondContact O-NE 2.69Å; F582-R693 HydrophobicContact CE1-CB 4.19Å; F582-R693 HydrophobicContact CZ-CB 4.4Å; V587-R693 HydrophobicContact CB-CG 4.13Å; V587-R693 HydrophobicContact CG1-CG 3.81Å; V689-R693 HydrophobicContact CG1-CG 4.4Å; V689-R693 WeakPolarHBondContact O-CB 3.14Å; V689-R693 VanDerWaalsContact O-CG 3.24Å; V689-R693 WeakPolarHBondContact O-CG 3.43Å; V689-R693 PolarHBondContact O-N 2.93Å; L690-R693 WeakPolarHBondContact O-CB 3.29Å; L690-R693 PolarHBondContact O-N 2.77Å; R693-F696 PolarHBondContact O-N 3.24Å; R693-V697 WeakPolarHBondContact O-CG2 3.41Å; R693-V697 PolarHBondContact O-N 2.74Å; R693-V697 VanDerWaalsContact O-N 3.15Å
694	I	95.5	Very high	92.3	Very high	85 Å²	85	62.6 Å²	62.6	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-44.2	178.8	-65.3	168.7	0	0	0	110.8	L690 A691 F696 V697 L698	L690-I694 HydrophobicContact CD1-CD1 4.2Å; L690-I694 HydrophobicContact CD1-CG1 4.49Å; L690-I694 HydrophobicContact CG-CD1 4.13Å; L690-I694 WeakPolarHBondContact O-CG1 3.12Å; L690-I694 PolarHBondContact O-N 3.47Å; A691-I694 PolarHBondContact O-N 3.05Å; I694-F696 VanDerWaalsContact C-N 3.32Å; I694-F696 PolarHBondContact O-N 3.49Å; I694-V697 PolarHBondContact O-N 3.19Å; I694-L698 HydrophobicContact CG2-CD1 4.21Å; I694-L698 WeakPolarHBondContact O-CG 2.81Å; I694-L698 PolarHBondContact O-N 3.15Å; I694-L698 VanDerWaalsContact O-N 3.08Å
695	L	95.7	Very high	92.2	Very high	79 Å²	79	64.3 Å²	64.3	41%	0.414	32%	0.317	S	S	.	.	H	α-helix	trans	-59.4	-43.5	176.9	179.5	62.4	0	0	0	111.5	A691 M692 V697 L698 L699	A691-L695 VanDerWaalsContact O-CB 3.31Å; A691-L695 WeakPolarHBondContact O-CB 3.38Å; A691-L695 PolarHBondContact O-N 3.17Å; M692-L695 HydrophobicContact SD-CD2 4.14Å; L695-V697 PolarHBondContact O-N 3.09Å; L695-L698 PolarHBondContact O-N 3.07Å; L695-L699 HydrophobicContact CD1-CD1 4.14Å; L695-L699 HydrophobicContact CD1-CG 4.16Å; L695-L699 HydrophobicContact CG-CD1 4Å; L695-L699 HydrophobicContact CG-CG 4.41Å; L695-L699 VanDerWaalsContact O-CG 3.32Å; L695-L699 WeakPolarHBondContact O-CG 3.02Å; L695-L699 PolarHBondContact O-N 2.89Å
696	F	94.4	Very high	92.2	Very high	41 Å²	41	64.5 Å²	64.5	18%	0.18	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-46.9	176.5	177.2	-90.2	0	0	0	111.7	I580 A581 F586 V587 M692 R693 I694 L698 L699 F700	I580-F696 HydrophobicContact CB-CE1 3.82Å; I580-F696 HydrophobicContact CB-CZ 4.19Å; I580-F696 HydrophobicContact CD1-CZ 4.43Å; I580-F696 HydrophobicContact CG2-CD1 4.49Å; I580-F696 HydrophobicContact CG2-CE1 3.56Å; I580-F696 HydrophobicContact CG2-CE2 4.44Å; I580-F696 HydrophobicContact CG2-CZ 3.52Å; A581-F696 HydrophobicContact CB-CD1 4.14Å; F586-F696 HydrophobicContact CE1-CE2 4.27Å; V587-F696 HydrophobicContact CG2-CB 4.39Å; V587-F696 HydrophobicContact CG2-CG 4.29Å; M692-F696 VanDerWaalsContact O-CB 3.31Å; M692-F696 WeakPolarHBondContact O-CB 3.5Å; M692-F696 PolarHBondContact O-N 3.25Å; R693-F696 PolarHBondContact O-N 3.24Å; I694-F696 VanDerWaalsContact C-N 3.32Å; I694-F696 PolarHBondContact O-N 3.49Å; F696-L698 PolarHBondContact O-N 3.24Å; F696-L699 PolarHBondContact O-N 3.22Å; F696-F700 HydrophobicContact CE1-CB 4.41Å; F696-F700 HydrophobicContact CE1-CD2 4.29Å; F696-F700 HydrophobicContact CZ-CD2 4.07Å; F696-F700 VanDerWaalsContact O-CB 3.3Å; F696-F700 WeakPolarHBondContact O-CB 3.44Å; F696-F700 PolarHBondContact O-N 3.27Å
697	V	94.4	Very high	92	Very high	20 Å²	20	63.6 Å²	63.6	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-46.9	179	174.5	0	0	0	0	111.1	A577 A581 F582 R693 I694 L695 L699 F700 E701	A577-V697 HydrophobicContact CB-CB 4.48Å; A577-V697 HydrophobicContact CB-CG1 4.11Å; A577-V697 HydrophobicContact CB-CG2 4.36Å; A581-V697 HydrophobicContact CB-CG2 3.65Å; F582-V697 HydrophobicContact CE2-CG2 4.4Å; R693-V697 WeakPolarHBondContact O-CG2 3.41Å; R693-V697 PolarHBondContact O-N 2.74Å; R693-V697 VanDerWaalsContact O-N 3.15Å; I694-V697 PolarHBondContact O-N 3.19Å; L695-V697 PolarHBondContact O-N 3.09Å; V697-L699 PolarHBondContact O-N 3.47Å; V697-F700 PolarHBondContact O-N 3.37Å; V697-E701 WeakPolarHBondContact O-CB 3.49Å; V697-E701 PolarHBondContact O-N 3.36Å
698	L	94.5	Very high	91.5	Very high	91 Å²	91	58.6 Å²	58.6	48%	0.476	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-45.1	178.4	-69.4	173.2	0	0	0	111.9	I694 L695 F696 N702	I694-L698 HydrophobicContact CG2-CD1 4.21Å; I694-L698 WeakPolarHBondContact O-CG 2.81Å; I694-L698 PolarHBondContact O-N 3.15Å; I694-L698 VanDerWaalsContact O-N 3.08Å; L695-L698 PolarHBondContact O-N 3.07Å; F696-L698 PolarHBondContact O-N 3.24Å; L698-N702 WeakPolarHBondContact O-CB 3.44Å; L698-N702 PolarHBondContact O-N 3.16Å; L698-N702 VanDerWaalsContact O-N 3.12Å; L698-N702 PolarHBondContact O-ND2 3.18Å
699	L	93.7	Very high	91.1	Very high	109 Å²	109	61.2 Å²	61.2	57%	0.571	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-41.9	178.9	-70.2	176	0	0	0	111.9	L695 F696 V697 L703	L695-L699 HydrophobicContact CD1-CD1 4.14Å; L695-L699 HydrophobicContact CD1-CG 4.16Å; L695-L699 HydrophobicContact CG-CD1 4Å; L695-L699 HydrophobicContact CG-CG 4.41Å; L695-L699 VanDerWaalsContact O-CG 3.32Å; L695-L699 WeakPolarHBondContact O-CG 3.02Å; L695-L699 PolarHBondContact O-N 2.89Å; F696-L699 PolarHBondContact O-N 3.22Å; V697-L699 PolarHBondContact O-N 3.47Å; L699-L703 VanDerWaalsContact O-CB 3.32Å; L699-L703 WeakPolarHBondContact O-CB 3.37Å; L699-L703 PolarHBondContact O-N 3.03Å
700	F	91.6	Very high	90.8	Very high	15 Å²	15	66.8 Å²	66.8	7%	0.066	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-47.7	179.1	-173.7	-81.5	0	0	0	111.7	A211 V573 N576 A577 I580 F696 V697 L703 V704	A211-F700 HydrophobicContact CB-CE2 3.8Å; A211-F700 HydrophobicContact CB-CZ 4.28Å; V573-F700 HydrophobicContact CG1-CD1 4.28Å; V573-F700 HydrophobicContact CG1-CE1 4.14Å; N576-F700 HydrophobicContact CB-CZ 4.46Å; A577-F700 HydrophobicContact CB-CB 4.16Å; A577-F700 HydrophobicContact CB-CD1 3.55Å; A577-F700 HydrophobicContact CB-CE1 4.13Å; A577-F700 HydrophobicContact CB-CG 3.98Å; I580-F700 HydrophobicContact CD1-CE2 4.26Å; F696-F700 HydrophobicContact CE1-CB 4.41Å; F696-F700 HydrophobicContact CE1-CD2 4.29Å; F696-F700 HydrophobicContact CZ-CD2 4.07Å; F696-F700 VanDerWaalsContact O-CB 3.3Å; F696-F700 WeakPolarHBondContact O-CB 3.44Å; F696-F700 PolarHBondContact O-N 3.27Å; V697-F700 PolarHBondContact O-N 3.37Å; F700-L703 PolarHBondContact O-N 3.11Å; F700-V704 HydrophobicContact CD1-CG2 4.35Å; F700-V704 HydrophobicContact CE1-CG2 4.1Å; F700-V704 WeakPolarHBondContact O-CG2 3.1Å; F700-V704 PolarHBondContact O-N 2.94Å; F700-V704 VanDerWaalsContact O-N 3.16Å
701	E	90.9	Very high	90.4	Very high	85 Å²	85	67.4 Å²	67.4	40%	0.397	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-48	179.3	-173.7	-175.9	170.6	0	0	111.7	V697 L703 V704 F705	V697-E701 WeakPolarHBondContact O-CB 3.49Å; V697-E701 PolarHBondContact O-N 3.36Å; E701-L703 VanDerWaalsContact C-N 3.34Å; E701-L703 PolarHBondContact O-N 3.26Å; E701-V704 PolarHBondContact O-N 3.42Å; E701-F705 WeakPolarHBondContact O-CB 3.39Å; E701-F705 PolarHBondContact O-N 2.97Å
702	N	90.9	Very high	89.6	Confident	93 Å²	93	68.5 Å²	68.5	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-40.1	179.4	-80.3	-76	0	0	0	111.9	L698 V704 F705 V706	L698-N702 WeakPolarHBondContact O-CB 3.44Å; L698-N702 PolarHBondContact O-N 3.16Å; L698-N702 VanDerWaalsContact O-N 3.12Å; L698-N702 PolarHBondContact O-ND2 3.18Å; N702-V704 PolarHBondContact O-N 3.34Å; N702-F705 PolarHBondContact O-N 2.77Å; N702-V706 WeakPolarHBondContact O-CB 3.48Å; N702-V706 VanDerWaalsContact O-CG2 3.24Å; N702-V706 WeakPolarHBondContact O-CG2 3.43Å; N702-V706 PolarHBondContact O-N 3.24Å
703	L	89.5	Confident	89	Confident	104 Å²	104	74.8 Å²	74.8	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-49.2	176.5	178.8	66.8	0	0	0	111.3	L699 F700 E701 F705 V706 V707	L699-L703 VanDerWaalsContact O-CB 3.32Å; L699-L703 WeakPolarHBondContact O-CB 3.37Å; L699-L703 PolarHBondContact O-N 3.03Å; F700-L703 PolarHBondContact O-N 3.11Å; E701-L703 VanDerWaalsContact C-N 3.34Å; E701-L703 PolarHBondContact O-N 3.26Å; L703-F705 VanDerWaalsContact C-N 3.35Å; L703-F705 PolarHBondContact O-N 3.36Å; L703-V706 PolarHBondContact O-N 2.89Å; L703-V707 WeakPolarHBondContact O-CG2 3.31Å; L703-V707 PolarHBondContact O-N 2.83Å
704	V	85.7	Confident	88.5	Confident	7 Å²	7	80.5 Å²	80.5	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-41.1	-179.8	173.6	0	0	0	0	111.1	L215 V573 F700 E701 N702 V706 V707 K708	L215-V704 HydrophobicContact CD2-CB 4.45Å; L215-V704 HydrophobicContact CD2-CG1 4.21Å; L215-V704 HydrophobicContact CD2-CG2 4.29Å; V573-V704 HydrophobicContact CB-CG1 4.47Å; V573-V704 HydrophobicContact CG1-CB 3.87Å; V573-V704 HydrophobicContact CG1-CG1 3.9Å; V573-V704 HydrophobicContact CG1-CG2 4.08Å; V573-V704 HydrophobicContact CG2-CG1 3.66Å; F700-V704 HydrophobicContact CD1-CG2 4.35Å; F700-V704 HydrophobicContact CE1-CG2 4.1Å; F700-V704 WeakPolarHBondContact O-CG2 3.1Å; F700-V704 PolarHBondContact O-N 2.94Å; F700-V704 VanDerWaalsContact O-N 3.16Å; E701-V704 PolarHBondContact O-N 3.42Å; N702-V704 PolarHBondContact O-N 3.34Å; V704-V706 PolarHBondContact O-N 2.85Å; V704-V707 PolarHBondContact O-N 3.17Å; V704-K708 WeakPolarHBondContact O-CB 3.46Å; V704-K708 PolarHBondContact O-N 2.72Å
705	F	85.1	Confident	87.9	Confident	118 Å²	118	78 Å²	78	52%	0.518	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-44.1	177	-174.2	-101.4	0	0	0	112.1	E701 N702 L703 K708 M709	E701-F705 WeakPolarHBondContact O-CB 3.39Å; E701-F705 PolarHBondContact O-N 2.97Å; N702-F705 PolarHBondContact O-N 2.77Å; L703-F705 VanDerWaalsContact C-N 3.35Å; L703-F705 PolarHBondContact O-N 3.36Å; F705-K708 PolarHBondContact O-N 3.23Å; F705-M709 HydrophobicContact CD1-CE 3.57Å; F705-M709 HydrophobicContact CD1-CG 4.35Å; F705-M709 HydrophobicContact CD1-SD 4Å; F705-M709 HydrophobicContact CE1-CE 3.51Å; F705-M709 HydrophobicContact CE1-CG 3.99Å; F705-M709 HydrophobicContact CE1-SD 3.36Å; F705-M709 WeakPolarHBondContact CE1-SD 3.31Å; F705-M709 HydrophobicContact CZ-CG 4.22Å; F705-M709 HydrophobicContact CZ-SD 3.93Å; F705-M709 WeakPolarHBondContact O-CG 3.45Å; F705-M709 PolarHBondContact O-N 2.93Å
706	V	88	Confident	87.4	Confident	59 Å²	59	78 Å²	78	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-49.1	177.2	169.7	0	0	0	0	111.2	N702 L703 V704 K708 M709 F710	N702-V706 WeakPolarHBondContact O-CB 3.48Å; N702-V706 VanDerWaalsContact O-CG2 3.24Å; N702-V706 WeakPolarHBondContact O-CG2 3.43Å; N702-V706 PolarHBondContact O-N 3.24Å; L703-V706 PolarHBondContact O-N 2.89Å; V704-V706 PolarHBondContact O-N 2.85Å; V706-K708 VanDerWaalsContact C-N 3.29Å; V706-K708 PolarHBondContact O-N 2.85Å; V706-M709 HydrophobicContact CB-CE 4.5Å; V706-M709 HydrophobicContact CG2-CE 4.11Å; V706-M709 PolarHBondContact O-N 2.9Å; V706-F710 HydrophobicContact CG1-CD2 3.74Å; V706-F710 HydrophobicContact CG1-CE2 3.49Å; V706-F710 VanDerWaalsContact CG1-CE2 3.49Å; V706-F710 WeakPolarHBondContact O-CD2 3.48Å; V706-F710 PolarHBondContact O-N 3.28Å
707	V	85.7	Confident	86.8	Confident	50 Å²	50	80.7 Å²	80.7	30%	0.303	40%	0.395	S	S	.	.	H	α-helix	trans	-61.6	-39.5	178.6	176.5	0	0	0	0	111.4	L215 L703 V704 F710 F711	L215-V707 HydrophobicContact CD1-CG1 4.27Å; L215-V707 HydrophobicContact CD2-CB 3.61Å; L215-V707 HydrophobicContact CD2-CG1 3.52Å; L215-V707 HydrophobicContact CD2-CG2 4.16Å; L215-V707 HydrophobicContact CG-CG1 4.47Å; L703-V707 WeakPolarHBondContact O-CG2 3.31Å; L703-V707 PolarHBondContact O-N 2.83Å; V704-V707 PolarHBondContact O-N 3.17Å; V707-F710 PolarHBondContact O-N 3.45Å; V707-F711 PolarHBondContact O-N 3.46Å
708	K	82.7	Confident	86.4	Confident	46 Å²	46	82.5 Å²	82.5	20%	0.2	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-47.9	175.9	-170.7	-164.7	174.6	-118.5	0	111.7	T218 V704 F705 V706 F710 F711 E712	T218-K708 HydrophobicContact CG2-CD 4.23Å; T218-K708 HydrophobicContact CG2-CG 4.31Å; V704-K708 WeakPolarHBondContact O-CB 3.46Å; V704-K708 PolarHBondContact O-N 2.72Å; F705-K708 PolarHBondContact O-N 3.23Å; V706-K708 VanDerWaalsContact C-N 3.29Å; V706-K708 PolarHBondContact O-N 2.85Å; K708-F710 VanDerWaalsContact C-N 3.28Å; K708-F710 PolarHBondContact O-N 3.03Å; K708-F711 PolarHBondContact O-N 3.42Å; K708-F711 VanDerWaalsContact O-N 3.11Å; K708-E712 WeakPolarHBondContact CE-OE1 3.11Å; K708-E712 IonicContact NZ-OE1 3.6Å; K708-E712 PolarHBondContact NZ-OE1 3.43Å; K708-E712 IonicContact NZ-OE2 3.24Å; K708-E712 PolarHBondContact O-N 3.45Å
709	M	84.4	Confident	86.1	Confident	88 Å²	88	79.1 Å²	79.1	43%	0.433	39%	0.387	S	S	.	.	H	α-helix	trans	-58.1	-42	177.3	-73.3	-170.2	-65.7	0	0	111.7	F705 V706 W713	F705-M709 HydrophobicContact CD1-CE 3.57Å; F705-M709 HydrophobicContact CD1-CG 4.35Å; F705-M709 HydrophobicContact CD1-SD 4Å; F705-M709 HydrophobicContact CE1-CE 3.51Å; F705-M709 HydrophobicContact CE1-CG 3.99Å; F705-M709 HydrophobicContact CE1-SD 3.36Å; F705-M709 WeakPolarHBondContact CE1-SD 3.31Å; F705-M709 HydrophobicContact CZ-CG 4.22Å; F705-M709 HydrophobicContact CZ-SD 3.93Å; F705-M709 WeakPolarHBondContact O-CG 3.45Å; F705-M709 PolarHBondContact O-N 2.93Å; V706-M709 HydrophobicContact CB-CE 4.5Å; V706-M709 HydrophobicContact CG2-CE 4.11Å; V706-M709 PolarHBondContact O-N 2.9Å; M709-W713 WeakPolarHBondContact O-CB 3.47Å; M709-W713 PolarHBondContact O-N 3.28Å; M709-W713 VanDerWaalsContact O-N 3.09Å
710	F	86.3	Confident	85.8	Confident	120 Å²	120	81.7 Å²	81.7	53%	0.526	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-45.6	174.5	-81.8	-67.8	0	0	0	111.7	V706 V707 K708 W713 F714	V706-F710 HydrophobicContact CG1-CD2 3.74Å; V706-F710 HydrophobicContact CG1-CE2 3.49Å; V706-F710 VanDerWaalsContact CG1-CE2 3.49Å; V706-F710 WeakPolarHBondContact O-CD2 3.48Å; V706-F710 PolarHBondContact O-N 3.28Å; V707-F710 PolarHBondContact O-N 3.45Å; K708-F710 VanDerWaalsContact C-N 3.28Å; K708-F710 PolarHBondContact O-N 3.03Å; F710-W713 PolarHBondContact O-N 3.25Å; F710-F714 HydrophobicContact CD1-CE2 4.45Å; F710-F714 VanDerWaalsContact O-CD2 3.23Å; F710-F714 WeakPolarHBondContact O-CD2 3.32Å; F710-F714 PolarHBondContact O-N 2.8Å; F710-F714 VanDerWaalsContact O-N 3.08Å
711	F	82.7	Confident	85.7	Confident	60 Å²	60	88.2 Å²	88.2	26%	0.263	42%	0.422	S	S	.	.	H	α-helix	trans	-65.4	-43.7	-179.1	-168.2	-97.6	0	0	0	113	L219 E222 V707 K708 W713 F714 V715	L219-F711 HydrophobicContact CD2-CB 3.95Å; L219-F711 HydrophobicContact CD2-CD1 3.5Å; L219-F711 VanDerWaalsContact CD2-CD1 3.5Å; L219-F711 HydrophobicContact CD2-CD2 3.16Å; L219-F711 HydrophobicContact CD2-CE1 3.66Å; L219-F711 HydrophobicContact CD2-CE2 3.34Å; L219-F711 HydrophobicContact CD2-CG 3.23Å; L219-F711 HydrophobicContact CD2-CZ 3.56Å; E222-F711 HydrophobicContact CB-CD1 4.16Å; E222-F711 HydrophobicContact CB-CE1 3.75Å; E222-F711 HydrophobicContact CG-CD1 4.22Å; E222-F711 HydrophobicContact CG-CE1 4.32Å; V707-F711 PolarHBondContact O-N 3.46Å; K708-F711 PolarHBondContact O-N 3.42Å; K708-F711 VanDerWaalsContact O-N 3.11Å; F711-W713 PolarHBondContact O-N 2.9Å; F711-F714 PolarHBondContact O-N 3.39Å; F711-V715 HydrophobicContact CD1-CB 4.31Å; F711-V715 HydrophobicContact CD1-CG2 4.37Å; F711-V715 HydrophobicContact CD2-CG2 4.04Å; F711-V715 HydrophobicContact CE1-CB 3.89Å; F711-V715 HydrophobicContact CE1-CG1 4.22Å; F711-V715 HydrophobicContact CE1-CG2 3.93Å; F711-V715 HydrophobicContact CE2-CB 4.43Å; F711-V715 HydrophobicContact CE2-CG2 3.57Å; F711-V715 HydrophobicContact CG-CG2 4.44Å; F711-V715 HydrophobicContact CZ-CB 3.98Å; F711-V715 HydrophobicContact CZ-CG1 4.22Å; F711-V715 HydrophobicContact CZ-CG2 3.53Å; F711-V715 PolarHBondContact O-N 2.57Å
712	E	79.3	Confident	85.5	Confident	81 Å²	81	84.5 Å²	84.5	38%	0.379	41%	0.406	S	S	.	.	H	α-helix	trans	-59.7	-34	174.8	-73.7	-179.6	163.6	0	0	112	K708	K708-E712 WeakPolarHBondContact CE-OE1 3.11Å; K708-E712 IonicContact NZ-OE1 3.6Å; K708-E712 PolarHBondContact NZ-OE1 3.43Å; K708-E712 IonicContact NZ-OE2 3.24Å; K708-E712 PolarHBondContact O-N 3.45Å
713	W	82.5	Confident	85.4	Confident	195 Å²	195	84 Å²	84	74%	0.739	40%	0.4	S	S	*	.	H	α-helix	trans	-71.4	-37.8	176.1	-175.5	68.6	0	0	0	113	M709 F710 F711	M709-W713 WeakPolarHBondContact O-CB 3.47Å; M709-W713 PolarHBondContact O-N 3.28Å; M709-W713 VanDerWaalsContact O-N 3.09Å; F710-W713 PolarHBondContact O-N 3.25Å; F711-W713 PolarHBondContact O-N 2.9Å
714	F	85.2	Confident	85.5	Confident	145 Å²	145	81.9 Å²	81.9	64%	0.636	39%	0.392	S	S	*	.	H	α-helix	trans	-83.3	-33.1	-178.2	-84.1	-72.4	0	0	0	114.4	F710 F711 P716	F710-F714 HydrophobicContact CD1-CE2 4.45Å; F710-F714 VanDerWaalsContact O-CD2 3.23Å; F710-F714 WeakPolarHBondContact O-CD2 3.32Å; F710-F714 PolarHBondContact O-N 2.8Å; F710-F714 VanDerWaalsContact O-N 3.08Å; F711-F714 PolarHBondContact O-N 3.39Å; F714-P716 WeakPolarHBondContact O-CD 3.35Å
715	V	82.6	Confident	85.6	Confident	32 Å²	32	84.2 Å²	84.2	19%	0.194	40%	0.402	C	S	.	.	S	Bend	trans	-112.8	104.3	-171.9	-175.9	0	0	0	0	110.2	F711	F711-V715 HydrophobicContact CD1-CB 4.31Å; F711-V715 HydrophobicContact CD1-CG2 4.37Å; F711-V715 HydrophobicContact CD2-CG2 4.04Å; F711-V715 HydrophobicContact CE1-CB 3.89Å; F711-V715 HydrophobicContact CE1-CG1 4.22Å; F711-V715 HydrophobicContact CE1-CG2 3.93Å; F711-V715 HydrophobicContact CE2-CB 4.43Å; F711-V715 HydrophobicContact CE2-CG2 3.57Å; F711-V715 HydrophobicContact CG-CG2 4.44Å; F711-V715 HydrophobicContact CZ-CB 3.98Å; F711-V715 HydrophobicContact CZ-CG1 4.22Å; F711-V715 HydrophobicContact CZ-CG2 3.53Å; F711-V715 PolarHBondContact O-N 2.57Å
716	P	84.9	Confident	85.6	Confident	80 Å²	80	80 Å²	80	52%	0.519	38%	0.384	S	S	.	.			trans	-70.3	149.4	178.7	29	-34.9	0	0	0	111.9	F714 L718	F714-P716 WeakPolarHBondContact O-CD 3.35Å; P716-L718 PolarHBondContact O-N 2.53Å; P716-L718 VanDerWaalsContact O-N 3.11Å
717	D	83.2	Confident	85.6	Confident	96 Å²	96	82.2 Å²	82.2	51%	0.513	39%	0.391	S	S	.	.	S	Bend	trans	-58.4	-23.1	178.5	-72.1	-23.7	0	0	0	114.2	R226	R226-D717 VanDerWaalsContact CA-O 3.23Å; R226-D717 WeakPolarHBondContact CA-O 3.42Å
718	L	84.6	Confident	85.8	Confident	59 Å²	59	88.2 Å²	88.2	31%	0.309	41%	0.408	S	S	.	.	S	Bend	trans	-122.9	135.1	178.9	-82	158.1	0	0	0	110.4	P716 F720 V722	P716-L718 PolarHBondContact O-N 2.53Å; P716-L718 VanDerWaalsContact O-N 3.11Å; L718-F720 PolarHBondContact O-N 2.9Å; L718-V722 HydrophobicContact CD2-CG1 4.18Å
719	P	88.1	Confident	85.7	Confident	19 Å²	19	88.6 Å²	88.6	12%	0.123	41%	0.41	C	S	.	.			trans	-59	135.4	170.5	-18	29.8	0	0	0	110.5	R226 E230 K721 V722 H723	R226-P719 HydrophobicContact CG-CG 3.84Å; E230-P719 HydrophobicContact CB-CG 4.36Å; P719-K721 PolarHBondContact O-N 3.39Å; P719-K721 VanDerWaalsContact O-N 3.11Å; P719-V722 HydrophobicContact CB-CG2 4.2Å; P719-V722 HydrophobicContact CG-CG2 4.21Å; P719-V722 PolarHBondContact O-N 2.9Å; P719-H723 PolarHBondContact O-N 2.96Å
720	F	88.1	Confident	85.7	Confident	163 Å²	163	90.4 Å²	90.4	72%	0.715	42%	0.416	S	S	*	.	H	α-helix	trans	-50	-42.9	-177.6	-178.7	-100.5	0	0	0	113.2	L718 V722 H723 V724	L718-F720 PolarHBondContact O-N 2.9Å; F720-V722 VanDerWaalsContact C-N 3.35Å; F720-V722 PolarHBondContact O-N 2.92Å; F720-H723 WeakPolarHBondContact O-CB 3.49Å; F720-H723 PolarHBondContact O-N 3.01Å; F720-V724 HydrophobicContact CD1-CG2 4.17Å; F720-V724 HydrophobicContact CE1-CG2 3.76Å; F720-V724 HydrophobicContact CE2-CG2 4.13Å; F720-V724 HydrophobicContact CZ-CG2 3.74Å; F720-V724 WeakPolarHBondContact O-CG2 3.45Å; F720-V724 PolarHBondContact O-N 3.2Å
721	K	89.3	Confident	85.8	Confident	152 Å²	152	92.2 Å²	92.2	66%	0.661	42%	0.42	S	S	*	.	H	α-helix	trans	-57.5	-44.5	177.5	-174.6	177.6	179.9	178.5	0	112.8	P719 Q725	P719-K721 PolarHBondContact O-N 3.39Å; P719-K721 VanDerWaalsContact O-N 3.11Å; K721-Q725 VanDerWaalsContact O-CG 3.27Å; K721-Q725 WeakPolarHBondContact O-CG 3.29Å; K721-Q725 PolarHBondContact O-N 3.49Å; K721-Q725 VanDerWaalsContact O-N 3.09Å; K721-Q725 PolarHBondContact O-OE1 3.19Å
722	V	87.6	Confident	86	Confident	7 Å²	7	92.6 Å²	92.6	4%	0.042	43%	0.425	C	S	.	.	H	α-helix	trans	-69.7	-41.5	179.7	177.7	0	0	0	0	110	E230 W233 L718 P719 F720 V724 Q725 I726	E230-V722 HydrophobicContact CB-CG2 4.4Å; E230-V722 HydrophobicContact CG-CG2 4.06Å; W233-V722 HydrophobicContact CB-CG1 3.62Å; W233-V722 HydrophobicContact CD2-CG1 4.13Å; W233-V722 HydrophobicContact CE3-CG1 4.42Å; W233-V722 HydrophobicContact CE3-CG2 4.31Å; W233-V722 HydrophobicContact CG-CG1 3.77Å; L718-V722 HydrophobicContact CD2-CG1 4.18Å; P719-V722 HydrophobicContact CB-CG2 4.2Å; P719-V722 HydrophobicContact CG-CG2 4.21Å; P719-V722 PolarHBondContact O-N 2.9Å; F720-V722 VanDerWaalsContact C-N 3.35Å; F720-V722 PolarHBondContact O-N 2.92Å; V722-V724 PolarHBondContact O-N 3.44Å; V722-Q725 PolarHBondContact O-N 3.03Å; V722-I726 HydrophobicContact CG1-CD1 3.84Å; V722-I726 HydrophobicContact CG1-CG1 4.34Å; V722-I726 WeakPolarHBondContact O-CG1 3.42Å; V722-I726 PolarHBondContact O-N 3.35Å
723	H	88.5	Confident	85.9	Confident	82 Å²	82	90.5 Å²	90.5	38%	0.38	42%	0.421	S	S	.	.	H	α-helix	trans	-57.8	-47.8	176.5	-173.7	79.4	0	0	0	112	P719 F720 Q725 I726 Q727	P719-H723 PolarHBondContact O-N 2.96Å; F720-H723 WeakPolarHBondContact O-CB 3.49Å; F720-H723 PolarHBondContact O-N 3.01Å; H723-Q725 VanDerWaalsContact C-N 3.33Å; H723-Q725 PolarHBondContact O-N 3.29Å; H723-I726 PolarHBondContact O-N 2.94Å; H723-Q727 PolarHBondContact NE2-NE2 3.23Å; H723-Q727 WeakPolarHBondContact O-CG 3.19Å; H723-Q727 PolarHBondContact O-N 3.3Å
724	V	90.9	Very high	86	Confident	61 Å²	61	87.5 Å²	87.5	37%	0.37	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-39	176.8	173.2	0	0	0	0	111.6	F720 V722 Q727 R728	F720-V724 HydrophobicContact CD1-CG2 4.17Å; F720-V724 HydrophobicContact CE1-CG2 3.76Å; F720-V724 HydrophobicContact CE2-CG2 4.13Å; F720-V724 HydrophobicContact CZ-CG2 3.74Å; F720-V724 WeakPolarHBondContact O-CG2 3.45Å; F720-V724 PolarHBondContact O-N 3.2Å; V722-V724 PolarHBondContact O-N 3.44Å; V724-Q727 PolarHBondContact O-N 3.46Å; V724-R728 WeakPolarHBondContact O-CB 3.33Å; V724-R728 PolarHBondContact O-N 3.2Å
725	Q	87.8	Confident	86.1	Confident	56 Å²	56	84.3 Å²	84.3	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-46.1	177.3	-75.4	170.9	-41.7	0	0	112.4	W233 K721 V722 H723 Q727 R728 E729	W233-Q725 HydrophobicContact CZ2-CB 3.86Å; W233-Q725 VanDerWaalsContact CZ2-CD 3.44Å; W233-Q725 HydrophobicContact CZ2-CG 4.11Å; W233-Q725 VanDerWaalsContact CZ2-OE1 3.31Å; K721-Q725 VanDerWaalsContact O-CG 3.27Å; K721-Q725 WeakPolarHBondContact O-CG 3.29Å; K721-Q725 PolarHBondContact O-N 3.49Å; K721-Q725 VanDerWaalsContact O-N 3.09Å; K721-Q725 PolarHBondContact O-OE1 3.19Å; V722-Q725 PolarHBondContact O-N 3.03Å; H723-Q725 VanDerWaalsContact C-N 3.33Å; H723-Q725 PolarHBondContact O-N 3.29Å; Q725-Q727 VanDerWaalsContact C-N 3.31Å; Q725-Q727 PolarHBondContact O-N 3.19Å; Q725-R728 WeakPolarHBondContact O-CB 3.32Å; Q725-R728 PolarHBondContact O-N 3.45Å; Q725-R728 VanDerWaalsContact O-N 3.14Å; Q725-E729 WeakPolarHBondContact O-CG 3.45Å; Q725-E729 PolarHBondContact O-N 2.85Å
726	I	85.2	Confident	86	Confident	29 Å²	29	84.1 Å²	84.1	15%	0.149	40%	0.402	C	S	.	.	H	α-helix	trans	-59.8	-43.1	175.5	-68.2	169.2	0	0	0	110.6	W233 V722 H723 R728 E729 K730	W233-I726 HydrophobicContact CG-CG1 4.28Å; V722-I726 HydrophobicContact CG1-CD1 3.84Å; V722-I726 HydrophobicContact CG1-CG1 4.34Å; V722-I726 WeakPolarHBondContact O-CG1 3.42Å; V722-I726 PolarHBondContact O-N 3.35Å; H723-I726 PolarHBondContact O-N 2.94Å; I726-R728 VanDerWaalsContact C-N 3.33Å; I726-R728 PolarHBondContact O-N 3.21Å; I726-E729 PolarHBondContact O-N 3.05Å; I726-K730 HydrophobicContact CG2-CD 4.18Å; I726-K730 WeakPolarHBondContact O-CB 3.4Å; I726-K730 WeakPolarHBondContact O-CG 3.4Å; I726-K730 PolarHBondContact O-N 3.36Å
727	Q	88.2	Confident	85.8	Confident	106 Å²	106	84.3 Å²	84.3	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176	-74.7	-176.5	-18.9	0	0	111.8	H723 V724 Q725 K730 Y731	H723-Q727 PolarHBondContact NE2-NE2 3.23Å; H723-Q727 WeakPolarHBondContact O-CG 3.19Å; H723-Q727 PolarHBondContact O-N 3.3Å; V724-Q727 PolarHBondContact O-N 3.46Å; Q725-Q727 VanDerWaalsContact C-N 3.31Å; Q725-Q727 PolarHBondContact O-N 3.19Å; Q727-K730 PolarHBondContact O-N 2.77Å; Q727-Y731 WeakPolarHBondContact O-CB 3.36Å; Q727-Y731 PolarHBondContact O-N 2.88Å
728	R	89.8	Confident	85.9	Confident	176 Å²	176	88 Å²	88	66%	0.664	41%	0.407	S	S	*	.	H	α-helix	trans	-62.9	-46	176.5	-175.4	-179	180	-174	-0.2	111.9	V724 Q725 I726 Y731 L732	V724-R728 WeakPolarHBondContact O-CB 3.33Å; V724-R728 PolarHBondContact O-N 3.2Å; Q725-R728 WeakPolarHBondContact O-CB 3.32Å; Q725-R728 PolarHBondContact O-N 3.45Å; Q725-R728 VanDerWaalsContact O-N 3.14Å; I726-R728 VanDerWaalsContact C-N 3.33Å; I726-R728 PolarHBondContact O-N 3.21Å; R728-Y731 WeakPolarHBondContact O-CB 3.01Å; R728-Y731 PolarHBondContact O-N 3.25Å; R728-L732 HydrophobicContact CG-CD1 4.14Å; R728-L732 VanDerWaalsContact O-CG 3.31Å; R728-L732 WeakPolarHBondContact O-CG 3.42Å; R728-L732 PolarHBondContact O-N 2.57Å
729	E	81.5	Confident	86.1	Confident	53 Å²	53	89.5 Å²	89.5	25%	0.248	41%	0.412	C	S	.	.	H	α-helix	trans	-60.7	-46.9	176.8	-74.4	169.1	-164.4	0	0	111.3	W233 Q725 I726 Y731 L732 A733	W233-E729 PolarHBondContact NE1-OE1 3.42Å; Q725-E729 WeakPolarHBondContact O-CG 3.45Å; Q725-E729 PolarHBondContact O-N 2.85Å; I726-E729 PolarHBondContact O-N 3.05Å; E729-Y731 VanDerWaalsContact C-N 3.3Å; E729-Y731 PolarHBondContact O-N 2.99Å; E729-L732 PolarHBondContact O-N 3Å; E729-A733 VanDerWaalsContact O-CB 3.32Å; E729-A733 WeakPolarHBondContact O-CB 3.47Å; E729-A733 PolarHBondContact O-N 3.28Å
730	K	83.8	Confident	85.7	Confident	127 Å²	127	90.2 Å²	90.2	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-60.1	-38.9	175.1	-74.5	-178.8	178.4	-175.7	0	112.5	I726 Q727 K734	I726-K730 HydrophobicContact CG2-CD 4.18Å; I726-K730 WeakPolarHBondContact O-CB 3.4Å; I726-K730 WeakPolarHBondContact O-CG 3.4Å; I726-K730 PolarHBondContact O-N 3.36Å; Q727-K730 PolarHBondContact O-N 2.77Å; K730-K734 WeakPolarHBondContact O-CG 3.5Å; K730-K734 PolarHBondContact O-N 3.08Å
731	Y	88.5	Confident	85.6	Confident	157 Å²	157	85 Å²	85	62%	0.616	40%	0.402	S	S	*	.	H	α-helix	trans	-64.4	-49.3	176	177.2	-94.2	0	0	0	111.5	Q727 R728 E729 A733 K734 Q735	Q727-Y731 WeakPolarHBondContact O-CB 3.36Å; Q727-Y731 PolarHBondContact O-N 2.88Å; R728-Y731 WeakPolarHBondContact O-CB 3.01Å; R728-Y731 PolarHBondContact O-N 3.25Å; E729-Y731 VanDerWaalsContact C-N 3.3Å; E729-Y731 PolarHBondContact O-N 2.99Å; Y731-A733 VanDerWaalsContact C-N 3.33Å; Y731-A733 PolarHBondContact O-N 2.88Å; Y731-K734 PolarHBondContact O-N 3.39Å; Y731-Q735 PolarHBondContact O-N 3.27Å
732	L	86.5	Confident	85.5	Confident	69 Å²	69	84.7 Å²	84.7	36%	0.361	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-38.6	177.7	-66.9	171.9	0	0	0	111.9	F7 R728 E729 Q735 A736	F7-L732 HydrophobicContact CE2-CB 4.48Å; F7-L732 HydrophobicContact CZ-CB 3.9Å; R728-L732 HydrophobicContact CG-CD1 4.14Å; R728-L732 VanDerWaalsContact O-CG 3.31Å; R728-L732 WeakPolarHBondContact O-CG 3.42Å; R728-L732 PolarHBondContact O-N 2.57Å; E729-L732 PolarHBondContact O-N 3Å; L732-Q735 PolarHBondContact O-N 3.47Å; L732-A736 WeakPolarHBondContact O-CB 3.47Å; L732-A736 PolarHBondContact O-N 3.49Å
733	A	77.8	Confident	85.4	Confident	36 Å²	36	89.8 Å²	89.8	30%	0.298	42%	0.422	S	S	.	.	H	α-helix	trans	-58.8	-48.1	174	0	0	0	0	0	112.1	F7 E729 Y731 A736 L737	F7-A733 VanDerWaalsContact CE1-CA 3.45Å; F7-A733 HydrophobicContact CE1-CB 4.13Å; F7-A733 HydrophobicContact CZ-CB 4.47Å; E729-A733 VanDerWaalsContact O-CB 3.32Å; E729-A733 WeakPolarHBondContact O-CB 3.47Å; E729-A733 PolarHBondContact O-N 3.28Å; Y731-A733 VanDerWaalsContact C-N 3.33Å; Y731-A733 PolarHBondContact O-N 2.88Å; A733-A736 PolarHBondContact O-N 2.95Å; A733-L737 WeakPolarHBondContact O-CG 3.2Å; A733-L737 PolarHBondContact O-N 3.15Å; A733-L737 VanDerWaalsContact O-N 3.07Å
734	K	84.4	Confident	85	Confident	132 Å²	132	91.9 Å²	91.9	57%	0.574	43%	0.432	S	S	*	.	H	α-helix	trans	-61.4	-45	174.9	-74.3	178.2	179.2	-176.9	0	111.7	K730 Y731 A736 L737 Y738	K730-K734 WeakPolarHBondContact O-CG 3.5Å; K730-K734 PolarHBondContact O-N 3.08Å; Y731-K734 PolarHBondContact O-N 3.39Å; K734-A736 VanDerWaalsContact C-N 3.34Å; K734-A736 PolarHBondContact O-N 3.22Å; K734-L737 WeakPolarHBondContact O-CB 3.33Å; K734-L737 PolarHBondContact O-N 3.25Å; K734-Y738 HydrophobicContact CB-CE2 4.38Å; K734-Y738 WeakPolarHBondContact O-CD2 3.37Å; K734-Y738 PolarHBondContact O-N 3.37Å
735	Q	87.5	Confident	84.7	Confident	78 Å²	78	94.3 Å²	94.3	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-59.3	-45.1	178.5	-173.1	176.5	-13.7	0	0	111.6	Y731 L732 L737 Y738 E739	Y731-Q735 PolarHBondContact O-N 3.27Å; L732-Q735 PolarHBondContact O-N 3.47Å; Q735-L737 VanDerWaalsContact C-N 3.33Å; Q735-L737 PolarHBondContact O-N 3.21Å; Q735-Y738 PolarHBondContact O-N 3.35Å; Q735-E739 WeakPolarHBondContact O-CG 3.45Å; Q735-E739 PolarHBondContact O-N 3.14Å
736	A	79.4	Confident	84.4	Confident	28 Å²	28	93.7 Å²	93.7	23%	0.231	44%	0.442	C	S	.	.	H	α-helix	trans	-63.6	-36.5	177.1	0	0	0	0	0	113	F7 L732 A733 K734 N740	F7-A736 HydrophobicContact CE1-CB 3.72Å; L732-A736 WeakPolarHBondContact O-CB 3.47Å; L732-A736 PolarHBondContact O-N 3.49Å; A733-A736 PolarHBondContact O-N 2.95Å; K734-A736 VanDerWaalsContact C-N 3.34Å; K734-A736 PolarHBondContact O-N 3.22Å; A736-N740 WeakPolarHBondContact O-CB 3.26Å; A736-N740 VanDerWaalsContact O-CG 3.23Å; A736-N740 PolarHBondContact O-N 3.25Å; A736-N740 PolarHBondContact O-ND2 3.48Å
737	L	81.2	Confident	84.3	Confident	85 Å²	85	101.2 Å²	101.2	45%	0.445	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-45.7	173.9	-73.7	171.2	0	0	0	111.6	Y9 A733 K734 Q735 N740 A741	Y9-L737 HydrophobicContact CD2-CD2 3.94Å; Y9-L737 HydrophobicContact CE2-CD2 3.95Å; A733-L737 WeakPolarHBondContact O-CG 3.2Å; A733-L737 PolarHBondContact O-N 3.15Å; A733-L737 VanDerWaalsContact O-N 3.07Å; K734-L737 WeakPolarHBondContact O-CB 3.33Å; K734-L737 PolarHBondContact O-N 3.25Å; Q735-L737 VanDerWaalsContact C-N 3.33Å; Q735-L737 PolarHBondContact O-N 3.21Å; L737-N740 PolarHBondContact O-N 3.43Å; L737-A741 WeakPolarHBondContact O-CB 3.06Å; L737-A741 PolarHBondContact O-N 3.42Å
738	Y	86.1	Confident	83.9	Confident	174 Å²	174	103.5 Å²	103.5	68%	0.682	48%	0.476	S	S	*	.	H	α-helix	trans	-62.2	-45	176.3	-74.9	-62.4	0	0	0	112.3	K734 Q735 N740 A741 F742	K734-Y738 HydrophobicContact CB-CE2 4.38Å; K734-Y738 WeakPolarHBondContact O-CD2 3.37Å; K734-Y738 PolarHBondContact O-N 3.37Å; Q735-Y738 PolarHBondContact O-N 3.35Å; Y738-N740 VanDerWaalsContact C-N 3.32Å; Y738-N740 PolarHBondContact O-N 2.92Å; Y738-A741 PolarHBondContact O-N 2.91Å; Y738-F742 WeakPolarHBondContact O-CB 3.27Å; Y738-F742 PolarHBondContact O-N 3.31Å
739	E	87.6	Confident	83.4	Confident	90 Å²	90	101.7 Å²	101.7	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-61.8	-39.8	176.1	-74.9	-177.7	-162.8	0	0	112.3	Q735 F742 K743	Q735-E739 WeakPolarHBondContact O-CG 3.45Å; Q735-E739 PolarHBondContact O-N 3.14Å; E739-F742 PolarHBondContact O-N 2.77Å; E739-K743 WeakPolarHBondContact O-CB 3.25Å; E739-K743 VanDerWaalsContact O-CG 3.3Å; E739-K743 WeakPolarHBondContact O-CG 3.47Å; E739-K743 PolarHBondContact O-N 2.84Å
740	N	80.9	Confident	83.3	Confident	33 Å²	33	108.3 Å²	108.3	18%	0.176	50%	0.496	C	S	.	.	H	α-helix	trans	-64.4	-44	175.1	-79.9	-27.7	0	0	0	111.7	R13 A736 L737 Y738 F742 K743 Q744	R13-N740 VanDerWaalsContact CZ-OD1 3.28Å; R13-N740 PolarHBondContact NH1-ND2 3.03Å; R13-N740 VanDerWaalsContact NH1-ND2 3.18Å; R13-N740 PolarHBondContact NH1-OD1 2.91Å; R13-N740 PolarHBondContact NH2-OD1 3.29Å; A736-N740 WeakPolarHBondContact O-CB 3.26Å; A736-N740 VanDerWaalsContact O-CG 3.23Å; A736-N740 PolarHBondContact O-N 3.25Å; A736-N740 PolarHBondContact O-ND2 3.48Å; L737-N740 PolarHBondContact O-N 3.43Å; Y738-N740 VanDerWaalsContact C-N 3.32Å; Y738-N740 PolarHBondContact O-N 2.92Å; N740-F742 VanDerWaalsContact C-N 3.34Å; N740-K743 PolarHBondContact O-N 3.1Å; N740-Q744 WeakPolarHBondContact O-CG 3.07Å; N740-Q744 PolarHBondContact O-N 2.87Å
741	A	85.1	Confident	82.9	Confident	54 Å²	54	106.2 Å²	106.2	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-61	-44	175.9	0	0	0	0	0	111.2	L737 Y738 Q744 Q745	L737-A741 WeakPolarHBondContact O-CB 3.06Å; L737-A741 PolarHBondContact O-N 3.42Å; Y738-A741 PolarHBondContact O-N 2.91Å; A741-Q744 PolarHBondContact O-N 3.13Å; A741-Q745 WeakPolarHBondContact O-CB 3.47Å; A741-Q745 PolarHBondContact O-N 2.96Å
742	F	86.9	Confident	82.3	Confident	146 Å²	146	103.8 Å²	103.8	64%	0.64	50%	0.495	S	S	*	.	H	α-helix	trans	-64.3	-41.8	176.2	-169.8	-96.2	0	0	0	112.6	Y738 E739 N740 Q744 Q745 S746	Y738-F742 WeakPolarHBondContact O-CB 3.27Å; Y738-F742 PolarHBondContact O-N 3.31Å; E739-F742 PolarHBondContact O-N 2.77Å; N740-F742 VanDerWaalsContact C-N 3.34Å; F742-Q744 VanDerWaalsContact C-N 3.35Å; F742-Q744 PolarHBondContact O-N 2.98Å; F742-Q745 PolarHBondContact O-N 2.87Å; F742-S746 WeakPolarHBondContact O-CB 3.46Å; F742-S746 PolarHBondContact O-N 2.05Å; F742-S746 PolarHBondContact O-OG 3.43Å
743	K	85.1	Confident	81.6	Confident	114 Å²	114	111.3 Å²	111.3	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-63.1	-38.6	173.9	-77.9	172	-179.1	165.4	0	111.8	E739 N740 S746 R747	E739-K743 WeakPolarHBondContact O-CB 3.25Å; E739-K743 VanDerWaalsContact O-CG 3.3Å; E739-K743 WeakPolarHBondContact O-CG 3.47Å; E739-K743 PolarHBondContact O-N 2.84Å; N740-K743 PolarHBondContact O-N 3.1Å; K743-S746 WeakPolarHBondContact CA-OG 3.05Å; K743-S746 PolarHBondContact O-OG 3.3Å; K743-R747 WeakPolarHBondContact O-CB 3.49Å; K743-R747 VanDerWaalsContact O-CG 3.3Å; K743-R747 WeakPolarHBondContact O-CG 3.23Å; K743-R747 PolarHBondContact O-N 2.95Å
744	Q	81.5	Confident	81.2	Confident	126 Å²	126	120.7 Å²	120.7	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-68.6	-41.8	175.3	-74.7	-176.9	8.3	0	0	112	N740 A741 F742 R747 K748	N740-Q744 WeakPolarHBondContact O-CG 3.07Å; N740-Q744 PolarHBondContact O-N 2.87Å; A741-Q744 PolarHBondContact O-N 3.13Å; F742-Q744 VanDerWaalsContact C-N 3.35Å; F742-Q744 PolarHBondContact O-N 2.98Å; Q744-R747 PolarHBondContact O-N 2.94Å; Q744-K748 PolarHBondContact O-N 3.29Å
745	Q	83.3	Confident	80	Confident	111 Å²	111	127.1 Å²	127.1	52%	0.519	57%	0.567	S	S	.	*	H	α-helix	trans	-66.1	-41	178	-163.1	179.2	14.2	0	0	111.9	A741 F742 K748 K749	A741-Q745 WeakPolarHBondContact O-CB 3.47Å; A741-Q745 PolarHBondContact O-N 2.96Å; F742-Q745 PolarHBondContact O-N 2.87Å; Q745-K748 PolarHBondContact O-N 3Å; Q745-K749 WeakPolarHBondContact O-CG 3.45Å; Q745-K749 PolarHBondContact O-N 3.24Å
746	S	82.7	Confident	79.6	Confident	44 Å²	44	129.6 Å²	129.6	31%	0.308	58%	0.578	S	S	.	*	H	α-helix	trans	-67.3	-37.4	174.7	56.6	0	0	0	0	112.7	F742 K743 K749 R750	F742-S746 WeakPolarHBondContact O-CB 3.46Å; F742-S746 PolarHBondContact O-N 2.05Å; F742-S746 PolarHBondContact O-OG 3.43Å; K743-S746 WeakPolarHBondContact CA-OG 3.05Å; K743-S746 PolarHBondContact O-OG 3.3Å; S746-K749 PolarHBondContact O-N 2.88Å; S746-R750 WeakPolarHBondContact O-CG 3.18Å; S746-R750 PolarHBondContact O-N 2.68Å
747	R	81.7	Confident	79.6	Confident	186 Å²	186	134.9 Å²	134.9	70%	0.702	60%	0.596	S	S	*	*	H	α-helix	trans	-60.5	-49.1	170.3	-78.8	178.1	178.7	-170.5	-1	111.6	K743 Q744 K749 R750 T751	K743-R747 WeakPolarHBondContact O-CB 3.49Å; K743-R747 VanDerWaalsContact O-CG 3.3Å; K743-R747 WeakPolarHBondContact O-CG 3.23Å; K743-R747 PolarHBondContact O-N 2.95Å; Q744-R747 PolarHBondContact O-N 2.94Å; R747-K749 VanDerWaalsContact C-N 3.35Å; R747-K749 PolarHBondContact O-N 3.03Å; R747-R750 PolarHBondContact O-N 3.49Å; R747-R750 VanDerWaalsContact O-N 3.14Å; R747-T751 PolarHBondContact O-N 2.98Å; R747-T751 PolarHBondContact O-OG1 2.95Å
748	K	80.3	Confident	79.6	Confident	155 Å²	155	137.7 Å²	137.7	67%	0.674	60%	0.604	S	S	*	*	H	α-helix	trans	-57	-45.6	175.9	-75.4	-177.2	178.5	-178.1	0	111.8	Q744 Q745 R750 T751 V752	Q744-K748 PolarHBondContact O-N 3.29Å; Q745-K748 PolarHBondContact O-N 3Å; K748-R750 PolarHBondContact O-N 3.02Å; K748-T751 PolarHBondContact O-N 3.38Å; K748-V752 VanDerWaalsContact O-CG2 3.31Å; K748-V752 WeakPolarHBondContact O-CG2 3.23Å; K748-V752 PolarHBondContact O-N 3.34Å
749	K	80.1	Confident	79.2	Confident	137 Å²	137	135.6 Å²	135.6	60%	0.596	60%	0.6	S	S	*	*	H	α-helix	trans	-61.4	-38.8	176	-73.8	-177.4	178.9	-177.2	0	112.9	Q745 S746 R747 R753	Q745-K749 WeakPolarHBondContact O-CG 3.45Å; Q745-K749 PolarHBondContact O-N 3.24Å; S746-K749 PolarHBondContact O-N 2.88Å; R747-K749 VanDerWaalsContact C-N 3.35Å; R747-K749 PolarHBondContact O-N 3.03Å; K749-R753 PolarHBondContact O-N 3.38Å
750	R	78.5	Confident	78.6	Confident	192 Å²	192	138.4 Å²	138.4	73%	0.725	61%	0.611	S	S	*	*	H	α-helix	trans	-68.7	-38.1	175.6	-76.6	-177.4	178.5	-177	0.3	112.6	S746 R747 K748 R753 R754	S746-R750 WeakPolarHBondContact O-CG 3.18Å; S746-R750 PolarHBondContact O-N 2.68Å; R747-R750 PolarHBondContact O-N 3.49Å; R747-R750 VanDerWaalsContact O-N 3.14Å; K748-R750 PolarHBondContact O-N 3.02Å; R750-R753 PolarHBondContact O-N 3.16Å; R750-R754 PolarHBondContact O-N 3.12Å; R750-R754 VanDerWaalsContact O-N 3.1Å
751	T	76.3	Confident	78.5	Confident	84 Å²	84	145.5 Å²	145.5	52%	0.515	64%	0.64	S	S	.	*	H	α-helix	trans	-67.6	-38.1	175.9	-45.5	0	0	0	0	111.4	R747 K748 R754 R755	R747-T751 PolarHBondContact O-N 2.98Å; R747-T751 PolarHBondContact O-OG1 2.95Å; K748-T751 PolarHBondContact O-N 3.38Å; T751-R754 PolarHBondContact O-N 3.02Å; T751-R755 PolarHBondContact O-N 3.4Å
752	V	76	Confident	78	Confident	106 Å²	106	152 Å²	152	64%	0.642	65%	0.653	S	S	*	*	H	α-helix	trans	-68.8	-32.8	174.4	174.4	0	0	0	0	112.1	K748	K748-V752 VanDerWaalsContact O-CG2 3.31Å; K748-V752 WeakPolarHBondContact O-CG2 3.23Å; K748-V752 PolarHBondContact O-N 3.34Å
753	R	71.6	Confident	77.3	Confident	227 Å²	227	152.5 Å²	152.5	86%	0.857	65%	0.654	S	S	*	*	H	α-helix	trans	-75.7	-18.1	173.4	-85	-173.4	176.1	179.4	-1.5	114.7	K749 R750	K749-R753 PolarHBondContact O-N 3.38Å; R750-R753 PolarHBondContact O-N 3.16Å
754	R	67.9	Low	76.7	Confident	232 Å²	232	155.7 Å²	155.7	88%	0.875	67%	0.668	S	S	*	*	H	α-helix	trans	-93	-18.1	177.9	-82.9	-173.3	174.8	-176	-2.7	113.1	R750 T751	R750-R754 PolarHBondContact O-N 3.12Å; R750-R754 VanDerWaalsContact O-N 3.1Å; T751-R754 PolarHBondContact O-N 3.02Å
755	R	60.3	Low	76.3	Confident	268 Å²	268	158.4 Å²	158.4	100%	1.011	68%	0.675	S	S	*	*			trans	-85.1	0	162.1	-75.5	-175.9	176.4	-176	-2.8	108.1	T751	T751-R755 PolarHBondContact O-N 3.4Å

Retrieved 755 of 755 residues in 588.3 ms (Link to these results)

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