A0A077ZN35_TRITR Loading...

Golgi apparatus protein 1

AlphaFold DB , UniProt , Accession A0A077ZN35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 749 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	41	Very low	171 Å²	171	137.1 Å²	137.1	84%	0.842	72%	0.716	S	S	*	*				0	44.8	0	-154.9	-172.7	-67.1	0	0	113.3	E37	M1-E37 VanDerWaalsContact CE-CD 3.42Å; M1-E37 WeakPolarHBondContact CE-OE1 3.03Å; M1-E37 WeakPolarHBondContact CE-OE2 3.37Å
2	F	34.1	Very low	42.7	Very low	203 Å²	203	141.9 Å²	141.9	89%	0.89	73%	0.732	S	S	*	*			trans	-129	2.5	-179	-101.8	-81.2	0	0	0	115.2
3	L	34.2	Very low	45	Very low	141 Å²	141	135.9 Å²	135.9	74%	0.738	70%	0.701	S	S	*	*	S	Bend	trans	-130.8	6	-170.3	-82.3	168.5	0	0	0	117.6
4	I	42.2	Very low	47.8	Very low	71 Å²	71	133.7 Å²	133.7	36%	0.364	69%	0.691	S	S	.	*	S	Bend	trans	-115.9	46.3	-169	-41.7	-178.7	0	0	0	113.3	L28 V89	I4-L28 HydrophobicContact CD1-CD1 4.45Å; I4-V89 HydrophobicContact CD1-CG1 3.68Å
5	V	40.6	Very low	50.3	Low	113 Å²	113	137.2 Å²	137.2	69%	0.685	69%	0.692	S	S	*	*			trans	-149	76.9	158.8	-170	0	0	0	0	108.5
6	F	39.1	Very low	52.7	Low	130 Å²	130	135.8 Å²	135.8	57%	0.57	69%	0.687	S	S	*	*			trans	-131.5	78.9	169.7	-80.2	-77.7	0	0	0	110.5	L8	F6-L8 HydrophobicContact CD1-CD1 3.55Å; F6-L8 HydrophobicContact CD1-CG 3.9Å; F6-L8 HydrophobicContact CE1-CD1 3.52Å; F6-L8 HydrophobicContact CE1-CG 4.24Å
7	S	37	Very low	54.8	Low	104 Å²	104	131.4 Å²	131.4	73%	0.727	67%	0.671	S	S	*	*			trans	-111.8	82.2	140.7	-174.8	0	0	0	0	106.7	K9	S7-K9 PolarHBondContact O-N 3.47Å
8	L	37.8	Very low	56.4	Low	115 Å²	115	129.3 Å²	129.3	60%	0.602	66%	0.658	S	S	*	*			trans	-79	103.5	170	-87.6	171.6	0	0	0	108	F6 G10	F6-L8 HydrophobicContact CD1-CD1 3.55Å; F6-L8 HydrophobicContact CD1-CG 3.9Å; F6-L8 HydrophobicContact CE1-CD1 3.52Å; F6-L8 HydrophobicContact CE1-CG 4.24Å; L8-G10 PolarHBondContact O-N 3.5Å
9	K	41.3	Very low	58	Low	202 Å²	202	126.5 Å²	126.5	88%	0.878	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.4	51.4	156.1	-61.5	-176.9	172.4	-177.6	0	116.1	S7 K11	S7-K9 PolarHBondContact O-N 3.47Å; K9-K11 VanDerWaalsContact C-N 3.28Å; K9-K11 PolarHBondContact O-N 3.29Å
10	G	47.8	Very low	59.6	Low	77 Å²	77	127.1 Å²	127.1	79%	0.794	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	68	18.9	164.4	0	0	0	0	0	116.2	L8	L8-G10 PolarHBondContact O-N 3.5Å
11	K	58.4	Low	60.9	Low	181 Å²	181	124 Å²	124	79%	0.787	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-84.6	130.8	166.2	-69	-170.6	176.3	-172.5	0	109.4	K9 I13	K9-K11 VanDerWaalsContact C-N 3.28Å; K9-K11 PolarHBondContact O-N 3.29Å; K11-I13 PolarHBondContact O-N 3.33Å
12	Q	61.2	Low	63.2	Low	195 Å²	195	117.3 Å²	117.3	91%	0.911	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.9	172.4	-72.2	-178.4	-18.2	0	0	109.5
13	I	72.6	Confident	65.9	Low	64 Å²	64	112.6 Å²	112.6	33%	0.328	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-75.4	141.4	172.6	-55.5	177.6	0	0	0	106.6	K11 C17 E18	K11-I13 PolarHBondContact O-N 3.33Å; I13-C17 HydrophobicContact CG2-CB 3.75Å; I13-E18 HydrophobicContact CB-CG 3.81Å; I13-E18 HydrophobicContact CG2-CG 3.76Å
14	D	84.4	Confident	68.6	Low	105 Å²	105	110.3 Å²	110.3	56%	0.561	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-61.2	140.7	173.7	-178.1	80.5	0	0	0	110.9	D16 C17 E18	D14-D16 PolarHBondContact O-N 3.04Å; D14-D16 WeakPolarHBondContact OD2-CB 3.44Å; D14-D16 PolarHBondContact OD2-N 3.2Å; D14-C17 HydrophobicContact CB-CB 4.45Å; D14-C17 WeakPolarHBondContact O-CA 3.35Å; D14-C17 WeakPolarHBondContact O-CB 3.39Å; D14-C17 PolarHBondContact O-N 3.04Å; D14-E18 PolarHBondContact O-N 3.32Å
15	R	85	Confident	70.9	Confident	186 Å²	186	109.1 Å²	109.1	70%	0.702	56%	0.555	S	S	*	*	H	α-helix	trans	-59.6	-33.9	-174.9	-177.9	176.3	167.9	-176.5	-5.3	112.6	C17 E18 N19	R15-C17 VanDerWaalsContact C-N 3.33Å; R15-E18 PolarHBondContact O-N 3.39Å; R15-N19 PolarHBondContact O-N 3.48Å; R15-N19 PolarHBondContact O-ND2 3.31Å
16	D	88.2	Confident	73.3	Confident	114 Å²	114	107.2 Å²	107.2	61%	0.61	54%	0.538	S	S	*	.	H	α-helix	trans	-68.2	-38.2	177	-68.8	-22.5	0	0	0	110.6	D14 N19 Q20	D14-D16 PolarHBondContact O-N 3.04Å; D14-D16 WeakPolarHBondContact OD2-CB 3.44Å; D14-D16 PolarHBondContact OD2-N 3.2Å; D16-N19 PolarHBondContact O-N 3.18Å; D16-Q20 VanDerWaalsContact O-CG 3.29Å; D16-Q20 WeakPolarHBondContact O-CG 3.25Å; D16-Q20 PolarHBondContact O-N 2.89Å
17	C	89	Confident	75.7	Confident	61 Å²	61	106.2 Å²	106.2	41%	0.412	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-41.7	174.5	-177.7	0	0	0	0	111.8	I13 D14 R15 N19 Q20 I21	I13-C17 HydrophobicContact CG2-CB 3.75Å; D14-C17 HydrophobicContact CB-CB 4.45Å; D14-C17 WeakPolarHBondContact O-CA 3.35Å; D14-C17 WeakPolarHBondContact O-CB 3.39Å; D14-C17 PolarHBondContact O-N 3.04Å; R15-C17 VanDerWaalsContact C-N 3.33Å; C17-N19 VanDerWaalsContact C-N 3.33Å; C17-N19 PolarHBondContact O-N 3.11Å; C17-Q20 PolarHBondContact O-N 3.43Å; C17-I21 VanDerWaalsContact O-CG1 3.28Å; C17-I21 WeakPolarHBondContact O-CG1 3.28Å; C17-I21 PolarHBondContact O-N 2.86Å
18	E	83.8	Confident	78.1	Confident	94 Å²	94	102.4 Å²	102.4	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-60.2	-42.2	174.6	-67.3	-176.9	161.6	0	0	112.3	I13 D14 R15 I21 T22	I13-E18 HydrophobicContact CB-CG 3.81Å; I13-E18 HydrophobicContact CG2-CG 3.76Å; D14-E18 PolarHBondContact O-N 3.32Å; R15-E18 PolarHBondContact O-N 3.39Å; E18-I21 PolarHBondContact O-N 3.18Å; E18-T22 PolarHBondContact O-N 3.14Å; E18-T22 PolarHBondContact O-OG1 3.37Å
19	N	86.6	Confident	80.6	Confident	77 Å²	77	97.3 Å²	97.3	41%	0.412	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-44.8	175	-69	-28.8	0	0	0	111.4	R15 D16 C17 I21 T22 E23	R15-N19 PolarHBondContact O-N 3.48Å; R15-N19 PolarHBondContact O-ND2 3.31Å; D16-N19 PolarHBondContact O-N 3.18Å; C17-N19 VanDerWaalsContact C-N 3.33Å; C17-N19 PolarHBondContact O-N 3.11Å; N19-I21 PolarHBondContact O-N 3.18Å; N19-T22 WeakPolarHBondContact O-CB 3.4Å; N19-T22 PolarHBondContact O-N 3.31Å; N19-E23 PolarHBondContact O-N 3.06Å
20	Q	90.1	Very high	82.9	Confident	138 Å²	138	89 Å²	89	65%	0.645	45%	0.448	S	S	*	.	H	α-helix	trans	-64.6	-39.2	177.7	-69.1	-60.2	-38.9	0	0	112.4	D16 C17 T22 E23 H24	D16-Q20 VanDerWaalsContact O-CG 3.29Å; D16-Q20 WeakPolarHBondContact O-CG 3.25Å; D16-Q20 PolarHBondContact O-N 2.89Å; C17-Q20 PolarHBondContact O-N 3.43Å; Q20-T22 VanDerWaalsContact C-N 3.3Å; Q20-T22 PolarHBondContact O-N 3.12Å; Q20-E23 PolarHBondContact O-N 3.17Å; Q20-H24 WeakPolarHBondContact O-CB 3.17Å; Q20-H24 PolarHBondContact O-N 3.46Å
21	I	87.2	Confident	84.9	Confident	62 Å²	62	87.8 Å²	87.8	32%	0.318	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-43.4	174.4	-70.4	165.9	0	0	0	110.1	C17 E18 N19 H24 R25	C17-I21 VanDerWaalsContact O-CG1 3.28Å; C17-I21 WeakPolarHBondContact O-CG1 3.28Å; C17-I21 PolarHBondContact O-N 2.86Å; E18-I21 PolarHBondContact O-N 3.18Å; N19-I21 PolarHBondContact O-N 3.18Å; I21-H24 PolarHBondContact O-N 2.84Å; I21-R25 HydrophobicContact CG2-CG 4.47Å; I21-R25 WeakPolarHBondContact O-CB 3.04Å; I21-R25 WeakPolarHBondContact O-CG 3.39Å; I21-R25 PolarHBondContact O-N 3.22Å
22	T	87.4	Confident	86.3	Confident	31 Å²	31	80 Å²	80	19%	0.19	39%	0.389	C	S	.	.	H	α-helix	trans	-63.7	-47.5	179.2	-58.3	0	0	0	0	111.6	E18 N19 Q20 H24 R25 K26 N95 V98	E18-T22 PolarHBondContact O-N 3.14Å; E18-T22 PolarHBondContact O-OG1 3.37Å; N19-T22 WeakPolarHBondContact O-CB 3.4Å; N19-T22 PolarHBondContact O-N 3.31Å; Q20-T22 VanDerWaalsContact C-N 3.3Å; Q20-T22 PolarHBondContact O-N 3.12Å; T22-H24 VanDerWaalsContact C-N 3.32Å; T22-H24 PolarHBondContact O-N 2.65Å; T22-R25 PolarHBondContact O-N 2.05Å; T22-K26 WeakPolarHBondContact O-CB 3.04Å; T22-K26 PolarHBondContact O-N 3.34Å; T22-N95 WeakPolarHBondContact CG2-ND2 3.48Å; T22-V98 HydrophobicContact CG2-CG2 4.05Å
23	E	89.9	Confident	87.7	Confident	104 Å²	104	77 Å²	77	49%	0.486	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-37.7	177.1	-72.7	-57.3	130.4	0	0	112	N19 Q20 K26 M27	N19-E23 PolarHBondContact O-N 3.06Å; Q20-E23 PolarHBondContact O-N 3.17Å; E23-K26 PolarHBondContact O-N 2.83Å; E23-M27 WeakPolarHBondContact O-CB 3.07Å; E23-M27 PolarHBondContact O-N 3.18Å
24	H	90.1	Very high	88.4	Confident	92 Å²	92	77.5 Å²	77.5	43%	0.426	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-44.7	175.5	-171.2	58	0	0	0	112.2	Q20 I21 T22 K26 M27 L28	Q20-H24 WeakPolarHBondContact O-CB 3.17Å; Q20-H24 PolarHBondContact O-N 3.46Å; I21-H24 PolarHBondContact O-N 2.84Å; T22-H24 VanDerWaalsContact C-N 3.32Å; T22-H24 PolarHBondContact O-N 2.65Å; H24-K26 VanDerWaalsContact C-N 3.32Å; H24-K26 PolarHBondContact O-N 2.97Å; H24-M27 WeakPolarHBondContact O-CB 3.44Å; H24-M27 PolarHBondContact O-N 3.26Å; H24-L28 WeakPolarHBondContact O-CG 3.35Å; H24-L28 PolarHBondContact O-N 3.16Å
25	R	91	Very high	88.5	Confident	46 Å²	46	74.8 Å²	74.8	17%	0.174	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-44	174.4	-75.9	173.1	169.1	-176	-7.8	111.4	I21 T22 M27 L28 F29 V89 D91 V98	I21-R25 HydrophobicContact CG2-CG 4.47Å; I21-R25 WeakPolarHBondContact O-CB 3.04Å; I21-R25 WeakPolarHBondContact O-CG 3.39Å; I21-R25 PolarHBondContact O-N 3.22Å; T22-R25 PolarHBondContact O-N 2.05Å; R25-M27 VanDerWaalsContact C-N 3.33Å; R25-M27 PolarHBondContact O-N 2.87Å; R25-L28 PolarHBondContact O-N 3.02Å; R25-F29 WeakPolarHBondContact O-CB 3.34Å; R25-F29 PolarHBondContact O-N 3.4Å; R25-V89 PolarHBondContact NE-O 2.83Å; R25-D91 IonicContact CZ-OD2 3.9Å; R25-D91 IonicContact NH1-OD2 2.74Å; R25-D91 PolarHBondContact NH1-OD2 3.44Å; R25-D91 IonicContact NH2-OD2 2.78Å; R25-D91 PolarHBondContact NH2-OD2 3.12Å; R25-V98 HydrophobicContact CB-CG1 3.89Å; R25-V98 HydrophobicContact CB-CG2 4.08Å
26	K	91.6	Very high	88.7	Confident	73 Å²	73	70.1 Å²	70.1	32%	0.317	35%	0.35	S	S	.	.	H	α-helix	trans	-60.1	-43.1	177.5	-177.4	179.3	178.8	-174.7	0	111.9	T22 E23 H24 F29 S30	T22-K26 WeakPolarHBondContact O-CB 3.04Å; T22-K26 PolarHBondContact O-N 3.34Å; E23-K26 PolarHBondContact O-N 2.83Å; H24-K26 VanDerWaalsContact C-N 3.32Å; H24-K26 PolarHBondContact O-N 2.97Å; K26-F29 PolarHBondContact O-N 3.06Å; K26-S30 WeakPolarHBondContact O-CB 3.5Å; K26-S30 PolarHBondContact O-N 2.87Å; K26-S30 PolarHBondContact O-OG 3.08Å
27	M	89.3	Confident	88.6	Confident	110 Å²	110	68.8 Å²	68.8	54%	0.542	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-49.3	176.3	-171.1	-166.4	-65.3	0	0	111.4	E23 H24 R25 F29 S30 D31 L34	E23-M27 WeakPolarHBondContact O-CB 3.07Å; E23-M27 PolarHBondContact O-N 3.18Å; H24-M27 WeakPolarHBondContact O-CB 3.44Å; H24-M27 PolarHBondContact O-N 3.26Å; R25-M27 VanDerWaalsContact C-N 3.33Å; R25-M27 PolarHBondContact O-N 2.87Å; M27-F29 VanDerWaalsContact C-N 3.35Å; M27-F29 PolarHBondContact O-N 3.26Å; M27-S30 PolarHBondContact O-N 3.32Å; M27-D31 PolarHBondContact O-N 3.49Å; M27-L34 HydrophobicContact CG-CD1 3.49Å; M27-L34 VanDerWaalsContact CG-CD1 3.49Å; M27-L34 HydrophobicContact SD-CD1 3.97Å
28	L	86.9	Confident	88.7	Confident	24 Å²	24	66.2 Å²	66.2	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-38	179.7	-67.8	173.8	0	0	0	112.8	I4 H24 R25 L34 E35	I4-L28 HydrophobicContact CD1-CD1 4.45Å; H24-L28 WeakPolarHBondContact O-CG 3.35Å; H24-L28 PolarHBondContact O-N 3.16Å; R25-L28 PolarHBondContact O-N 3.02Å; L28-L34 HydrophobicContact CD2-CB 3.95Å; L28-E35 HydrophobicContact CD2-CG 4.29Å
29	F	90.6	Very high	89	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-77.6	-29	179.7	-159.6	-100	0	0	0	112.8	R25 K26 M27 L61 H62 M65 V87 A90 I92 V98 D99	R25-F29 WeakPolarHBondContact O-CB 3.34Å; R25-F29 PolarHBondContact O-N 3.4Å; K26-F29 PolarHBondContact O-N 3.06Å; M27-F29 VanDerWaalsContact C-N 3.35Å; M27-F29 PolarHBondContact O-N 3.26Å; F29-L61 HydrophobicContact CD1-CD2 4.33Å; F29-L61 HydrophobicContact CD2-CD2 3.32Å; F29-L61 HydrophobicContact CE1-CD2 4.19Å; F29-L61 HydrophobicContact CE2-CD2 3.17Å; F29-L61 HydrophobicContact CE2-CG 4.12Å; F29-L61 HydrophobicContact CG-CD2 3.94Å; F29-L61 HydrophobicContact CZ-CD2 3.63Å; F29-L61 HydrophobicContact CZ-CG 4.21Å; F29-H62 AromaticContact CE1-NE2 3.95Å; F29-M65 HydrophobicContact CZ-SD 4.14Å; F29-V87 HydrophobicContact CE2-CG2 4.29Å; F29-A90 HydrophobicContact CB-CB 4.18Å; F29-A90 HydrophobicContact CD2-CB 3.34Å; F29-A90 HydrophobicContact CE2-CB 3.89Å; F29-A90 HydrophobicContact CG-CB 3.92Å; F29-I92 HydrophobicContact CE1-CD1 3.95Å; F29-I92 HydrophobicContact CE2-CD1 3.8Å; F29-I92 HydrophobicContact CZ-CD1 3.45Å; F29-I92 VanDerWaalsContact CZ-CD1 3.45Å; F29-I92 HydrophobicContact CZ-CG1 4.5Å; F29-V98 HydrophobicContact CB-CG1 4.21Å; F29-D99 HydrophobicContact CD1-CB 4.18Å; F29-D99 HydrophobicContact CE1-CB 3.98Å
30	S	89.5	Confident	89.4	Confident	28 Å²	28	66.9 Å²	66.9	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-85.9	-11.7	-179.3	-55.3	0	0	0	0	114.1	K26 M27 G57 S58 S100	K26-S30 WeakPolarHBondContact O-CB 3.5Å; K26-S30 PolarHBondContact O-N 2.87Å; K26-S30 PolarHBondContact O-OG 3.08Å; M27-S30 PolarHBondContact O-N 3.32Å; S30-G57 CarbonylContact O-C 3.23Å; S30-S58 WeakPolarHBondContact O-CA 3.48Å; S30-S58 WeakPolarHBondContact O-CB 3.36Å; S30-S58 PolarHBondContact O-N 2.04Å; S30-S100 PolarHBondContact OG-OG 3.19Å; S30-S100 VanDerWaalsContact OG-OG 3.14Å
31	D	89.7	Confident	89.6	Confident	50 Å²	50	61.4 Å²	61.4	27%	0.267	31%	0.308	S	S	.	.			trans	-141.4	101.4	172.1	-172.2	-2.8	0	0	0	111.1	M27 R33 L34	M27-D31 PolarHBondContact O-N 3.49Å; D31-R33 PolarHBondContact O-N 2.94Å; D31-R33 VanDerWaalsContact OD1-CB 3.24Å; D31-R33 WeakPolarHBondContact OD1-CB 3.31Å; D31-R33 VanDerWaalsContact OD1-CG 3.31Å; D31-R33 WeakPolarHBondContact OD1-CG 3.46Å; D31-R33 PolarHBondContact OD1-N 3.4Å; D31-L34 HydrophobicContact CB-CD1 4.03Å; D31-L34 HydrophobicContact CB-CG 4.07Å; D31-L34 WeakPolarHBondContact O-CB 3.28Å; D31-L34 PolarHBondContact O-N 3.25Å
32	Y	88.4	Confident	89.9	Confident	17 Å²	17	58.4 Å²	58.4	7%	0.067	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-56.5	-22.7	179.9	83.3	-83.6	0	0	0	113.4	L34 E35 L38 V39 I46 V60	Y32-L34 PolarHBondContact O-N 2.99Å; Y32-E35 PolarHBondContact O-N 2.96Å; Y32-L38 HydrophobicContact CD2-CD2 3.92Å; Y32-L38 HydrophobicContact CG-CD2 4.36Å; Y32-V39 HydrophobicContact CD2-CG2 3.88Å; Y32-V39 HydrophobicContact CE2-CG2 4Å; Y32-V39 WeakPolarHBondContact O-CG2 3.37Å; Y32-I46 HydrophobicContact CD2-CD1 3.97Å; Y32-I46 HydrophobicContact CE2-CD1 3.74Å; Y32-V60 HydrophobicContact CD1-CB 3.63Å; Y32-V60 HydrophobicContact CD1-CG1 3.83Å; Y32-V60 HydrophobicContact CD1-CG2 3.81Å; Y32-V60 HydrophobicContact CD2-CG1 4.34Å; Y32-V60 HydrophobicContact CE1-CB 3.97Å; Y32-V60 HydrophobicContact CE1-CG1 4.04Å; Y32-V60 HydrophobicContact CE1-CG2 3.66Å; Y32-V60 HydrophobicContact CG-CB 4.18Å; Y32-V60 HydrophobicContact CG-CG1 4Å
33	R	89.7	Confident	90.2	Very high	132 Å²	132	59.8 Å²	59.8	50%	0.498	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-69.3	-17.9	-179.5	-58.9	171.4	-179.3	160.9	3.7	112.6	D31 E35 M54	D31-R33 PolarHBondContact O-N 2.94Å; D31-R33 VanDerWaalsContact OD1-CB 3.24Å; D31-R33 WeakPolarHBondContact OD1-CB 3.31Å; D31-R33 VanDerWaalsContact OD1-CG 3.31Å; D31-R33 WeakPolarHBondContact OD1-CG 3.46Å; D31-R33 PolarHBondContact OD1-N 3.4Å; R33-E35 VanDerWaalsContact C-N 3.26Å; R33-M54 PolarHBondContact NH2-O 3.24Å
34	L	88.5	Confident	90.4	Very high	75 Å²	75	57.6 Å²	57.6	39%	0.393	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-78.9	-9.3	176.7	-59.3	178.4	0	0	0	113.2	M27 L28 D31 Y32 P36	M27-L34 HydrophobicContact CG-CD1 3.49Å; M27-L34 VanDerWaalsContact CG-CD1 3.49Å; M27-L34 HydrophobicContact SD-CD1 3.97Å; L28-L34 HydrophobicContact CD2-CB 3.95Å; D31-L34 HydrophobicContact CB-CD1 4.03Å; D31-L34 HydrophobicContact CB-CG 4.07Å; D31-L34 WeakPolarHBondContact O-CB 3.28Å; D31-L34 PolarHBondContact O-N 3.25Å; Y32-L34 PolarHBondContact O-N 2.99Å; L34-P36 WeakPolarHBondContact O-CD 3.34Å
35	E	85.7	Confident	90.6	Very high	48 Å²	48	53.3 Å²	53.3	22%	0.224	28%	0.28	C	S	.	.			trans	-111.9	91.5	176.3	-76.9	-68	169.4	0	0	110.4	L28 Y32 R33 E37 L38 V39	L28-E35 HydrophobicContact CD2-CG 4.29Å; Y32-E35 PolarHBondContact O-N 2.96Å; R33-E35 VanDerWaalsContact C-N 3.26Å; E35-E37 PolarHBondContact O-N 3.43Å; E35-E37 VanDerWaalsContact O-N 3.16Å; E35-L38 HydrophobicContact CB-CB 4Å; E35-L38 PolarHBondContact O-N 3.47Å; E35-V39 PolarHBondContact O-N 3.01Å; E35-V39 VanDerWaalsContact O-N 3.13Å
36	P	88.3	Confident	90.8	Very high	88 Å²	88	51.4 Å²	51.4	57%	0.571	27%	0.273	S	S	*	.	H	α-helix	trans	-57.3	-34.9	-174.4	-25.7	33.6	0	0	0	113.8	L34 L38 V39 L40	L34-P36 WeakPolarHBondContact O-CD 3.34Å; P36-L38 VanDerWaalsContact C-N 3.34Å; P36-V39 PolarHBondContact O-N 3.27Å; P36-L40 WeakPolarHBondContact O-CB 3.04Å; P36-L40 VanDerWaalsContact O-CG 3.23Å; P36-L40 WeakPolarHBondContact O-CG 3.28Å; P36-L40 PolarHBondContact O-N 3.39Å
37	E	87.1	Confident	90.9	Very high	87 Å²	87	54.2 Å²	54.2	41%	0.407	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-40.3	178.1	-66.9	-173.3	164.4	0	0	111.7	M1 E35 L40 A41 K85	M1-E37 VanDerWaalsContact CE-CD 3.42Å; M1-E37 WeakPolarHBondContact CE-OE1 3.03Å; M1-E37 WeakPolarHBondContact CE-OE2 3.37Å; E35-E37 PolarHBondContact O-N 3.43Å; E35-E37 VanDerWaalsContact O-N 3.16Å; E37-L40 PolarHBondContact O-N 3.17Å; E37-A41 WeakPolarHBondContact O-CB 3.49Å; E37-A41 PolarHBondContact O-N 2.86Å; E37-K85 IonicContact OE2-NZ 3.37Å; E37-K85 PolarHBondContact OE2-NZ 2.79Å
38	L	90.3	Very high	91.2	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-45.2	178	-173.2	153.9	0	0	0	110.6	Y32 E35 P36 L40 A41 C42 L61 L64 A86	Y32-L38 HydrophobicContact CD2-CD2 3.92Å; Y32-L38 HydrophobicContact CG-CD2 4.36Å; E35-L38 HydrophobicContact CB-CB 4Å; E35-L38 PolarHBondContact O-N 3.47Å; P36-L38 VanDerWaalsContact C-N 3.34Å; L38-L40 VanDerWaalsContact C-N 3.31Å; L38-L40 PolarHBondContact O-N 3.22Å; L38-A41 PolarHBondContact O-N 3.37Å; L38-C42 HydrophobicContact CD2-CB 4.41Å; L38-C42 WeakPolarHBondContact O-CB 3.46Å; L38-C42 PolarHBondContact O-N 3.18Å; L38-L61 HydrophobicContact CD1-CD1 3.92Å; L38-L64 HydrophobicContact CD2-CD1 4.28Å; L38-A86 HydrophobicContact CD1-CB 3.9Å
39	V	92	Very high	91.5	Very high	51 Å²	51	55 Å²	55	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-56.9	-46.1	176.3	178.4	0	0	0	0	111.1	Y32 E35 P36 S43	Y32-V39 HydrophobicContact CD2-CG2 3.88Å; Y32-V39 HydrophobicContact CE2-CG2 4Å; Y32-V39 WeakPolarHBondContact O-CG2 3.37Å; E35-V39 PolarHBondContact O-N 3.01Å; E35-V39 VanDerWaalsContact O-N 3.13Å; P36-V39 PolarHBondContact O-N 3.27Å; V39-S43 WeakPolarHBondContact O-CB 3.4Å; V39-S43 PolarHBondContact O-N 3.3Å; V39-S43 VanDerWaalsContact O-N 3.1Å
40	L	93.5	Very high	91.7	Very high	135 Å²	135	54.7 Å²	54.7	71%	0.707	29%	0.285	S	S	*	.	H	α-helix	trans	-67.3	-50.7	-179.9	-70.9	171.1	0	0	0	111.6	P36 E37 L38 C42 S43	P36-L40 WeakPolarHBondContact O-CB 3.04Å; P36-L40 VanDerWaalsContact O-CG 3.23Å; P36-L40 WeakPolarHBondContact O-CG 3.28Å; P36-L40 PolarHBondContact O-N 3.39Å; E37-L40 PolarHBondContact O-N 3.17Å; L38-L40 VanDerWaalsContact C-N 3.31Å; L38-L40 PolarHBondContact O-N 3.22Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.45Å; L40-S43 PolarHBondContact O-OG 3.45Å
41	A	93.8	Very high	91.8	Very high	22 Å²	22	60.5 Å²	60.5	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-69.5	-28.8	-174.8	0	0	0	0	0	113.6	E37 L38 C79 S82	E37-A41 WeakPolarHBondContact O-CB 3.49Å; E37-A41 PolarHBondContact O-N 2.86Å; L38-A41 PolarHBondContact O-N 3.37Å; A41-C79 WeakPolarHBondContact O-CB 3.4Å; A41-S82 WeakPolarHBondContact CB-OG 3.48Å
42	C	94.7	Very high	91.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-106.9	-0.7	-175	-66.3	0	0	0	0	114.9	L38 L40 S44 D45 I46 L64 C79	L38-C42 HydrophobicContact CD2-CB 4.41Å; L38-C42 WeakPolarHBondContact O-CB 3.46Å; L38-C42 PolarHBondContact O-N 3.18Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.45Å; C42-S44 VanDerWaalsContact C-N 3.33Å; C42-S44 PolarHBondContact O-N 3Å; C42-D45 PolarHBondContact O-N 3.49Å; C42-I46 HydrophobicContact CB-CD1 3.85Å; C42-I46 HydrophobicContact CB-CG1 4.05Å; C42-I46 WeakPolarHBondContact O-CG1 3.07Å; C42-I46 PolarHBondContact O-N 3.41Å; C42-L64 HydrophobicContact CB-CD1 4.09Å; C42-C79 WeakPolarHBondContact CA-SG 3.42Å; C42-C79 HydrophobicContact CB-CB 3.92Å; C42-C79 WeakPolarHBondContact CB-SG 3.43Å; C42-C79 WeakPolarHBondContact SG-CA 3.33Å; C42-C79 WeakPolarHBondContact SG-CB 3.45Å; C42-C79 CovalentContact SG-SG 2.03Å; C42-C79 PolarHBondContact SG-SG 3.01Å
43	S	94	Very high	92	Very high	59 Å²	59	65 Å²	65	41%	0.413	34%	0.336	S	S	.	.	H	α-helix	trans	-44.4	-53.1	-176.3	50.3	0	0	0	0	113.7	V39 L40 D45 I46 E47	V39-S43 WeakPolarHBondContact O-CB 3.4Å; V39-S43 PolarHBondContact O-N 3.3Å; V39-S43 VanDerWaalsContact O-N 3.1Å; L40-S43 PolarHBondContact O-OG 3.45Å; S43-D45 PolarHBondContact O-N 2.81Å; S43-I46 PolarHBondContact O-N 3.45Å; S43-E47 WeakPolarHBondContact O-CG 3.35Å; S43-E47 PolarHBondContact O-N 3.49Å; S43-E47 VanDerWaalsContact O-N 3.09Å
44	S	94	Very high	91.7	Very high	58 Å²	58	61.4 Å²	61.4	41%	0.406	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-35	178.8	55.3	0	0	0	0	114	C42 K48	C42-S44 VanDerWaalsContact C-N 3.33Å; C42-S44 PolarHBondContact O-N 3Å; S44-K48 WeakPolarHBondContact O-CB 3.45Å; S44-K48 PolarHBondContact O-N 3.36Å
45	D	94.9	Very high	91.5	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-72.8	-37.5	179.1	-62.4	-69.9	0	0	0	110.7	C42 S43 K48 F49 L64 M75 Q76 C79	C42-D45 PolarHBondContact O-N 3.49Å; S43-D45 PolarHBondContact O-N 2.81Å; D45-K48 PolarHBondContact O-N 3.42Å; D45-F49 HydrophobicContact CB-CD2 4.21Å; D45-F49 WeakPolarHBondContact O-CB 3.21Å; D45-F49 VanDerWaalsContact O-CD2 3.26Å; D45-F49 WeakPolarHBondContact O-CD2 3.32Å; D45-F49 PolarHBondContact O-N 3.14Å; D45-L64 HydrophobicContact CB-CD2 4.18Å; D45-M75 WeakPolarHBondContact OD1-CA 3.47Å; D45-Q76 PolarHBondContact OD1-N 2.92Å; D45-Q76 VanDerWaalsContact OD1-N 3.15Å; D45-Q76 WeakPolarHBondContact OD2-CB 3.45Å; D45-Q76 WeakPolarHBondContact OD2-CG 3.47Å; D45-Q76 PolarHBondContact OD2-N 2.86Å; D45-C79 WeakPolarHBondContact OD2-CB 3.41Å
46	I	94.2	Very high	91.4	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-48.1	175.8	-66.9	167.6	0	0	0	110.2	Y32 C42 S43 K48 C50 Q51 M54 V60 L64	Y32-I46 HydrophobicContact CD2-CD1 3.97Å; Y32-I46 HydrophobicContact CE2-CD1 3.74Å; C42-I46 HydrophobicContact CB-CD1 3.85Å; C42-I46 HydrophobicContact CB-CG1 4.05Å; C42-I46 WeakPolarHBondContact O-CG1 3.07Å; C42-I46 PolarHBondContact O-N 3.41Å; S43-I46 PolarHBondContact O-N 3.45Å; I46-K48 VanDerWaalsContact C-N 3.31Å; I46-K48 PolarHBondContact O-N 2.88Å; I46-C50 HydrophobicContact CG2-CB 4.42Å; I46-C50 CarbonylContact O-C 3.37Å; I46-C50 WeakPolarHBondContact O-CA 3.47Å; I46-C50 PolarHBondContact O-N 3.28Å; I46-Q51 PolarHBondContact O-N 3.38Å; I46-M54 HydrophobicContact CG2-CE 3.94Å; I46-M54 HydrophobicContact CG2-CG 3.73Å; I46-M54 HydrophobicContact CG2-SD 3.89Å; I46-V60 HydrophobicContact CD1-CG1 4.07Å; I46-V60 HydrophobicContact CG1-CG1 4.02Å; I46-V60 HydrophobicContact CG2-CG1 4.21Å; I46-L64 HydrophobicContact CD1-CD1 4.28Å; I46-L64 HydrophobicContact CG1-CD1 3.96Å; I46-L64 HydrophobicContact CG1-CD2 3.96Å; I46-L64 HydrophobicContact CG1-CG 4.29Å
47	E	93.8	Very high	91	Very high	133 Å²	133	59.4 Å²	59.4	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-62.1	-39.4	177.1	-73.7	179.1	-176.9	0	0	112	S43	S43-E47 WeakPolarHBondContact O-CG 3.35Å; S43-E47 PolarHBondContact O-N 3.49Å; S43-E47 VanDerWaalsContact O-N 3.09Å
48	K	94.7	Very high	90.9	Very high	121 Å²	121	56.6 Å²	56.6	53%	0.526	32%	0.317	S	S	.	.	H	α-helix	trans	-74.6	-39.6	-177.5	-175.6	178.6	170.1	-163.2	0	113.2	S44 D45 I46 E74	S44-K48 WeakPolarHBondContact O-CB 3.45Å; S44-K48 PolarHBondContact O-N 3.36Å; D45-K48 PolarHBondContact O-N 3.42Å; I46-K48 VanDerWaalsContact C-N 3.31Å; I46-K48 PolarHBondContact O-N 2.88Å; K48-E74 IonicContact NZ-OE2 2.9Å; K48-E74 PolarHBondContact NZ-OE2 2.95Å
49	F	94.6	Very high	90.9	Very high	30 Å²	30	60.4 Å²	60.4	13%	0.132	33%	0.334	C	S	.	.	H	α-helix	trans	-118.5	-21.9	-166.7	-57.7	-66	0	0	0	115.2	D45 V67 E74	D45-F49 HydrophobicContact CB-CD2 4.21Å; D45-F49 WeakPolarHBondContact O-CB 3.21Å; D45-F49 VanDerWaalsContact O-CD2 3.26Å; D45-F49 WeakPolarHBondContact O-CD2 3.32Å; D45-F49 PolarHBondContact O-N 3.14Å; F49-V67 HydrophobicContact CB-CG2 3.53Å; F49-V67 HydrophobicContact CD2-CG1 3.77Å; F49-V67 HydrophobicContact CD2-CG2 4.25Å; F49-V67 HydrophobicContact CE2-CG1 3.97Å; F49-V67 HydrophobicContact CG-CG1 4.1Å; F49-V67 HydrophobicContact CG-CG2 3.9Å; F49-V67 HydrophobicContact CZ-CG1 4.45Å; F49-E74 HydrophobicContact CZ-CB 3.76Å
50	C	94.4	Very high	91	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.			trans	-125.2	18.7	-168.3	-59.9	0	0	0	0	113.5	I46 D52 V53 M54 C63	I46-C50 HydrophobicContact CG2-CB 4.42Å; I46-C50 CarbonylContact O-C 3.37Å; I46-C50 WeakPolarHBondContact O-CA 3.47Å; I46-C50 PolarHBondContact O-N 3.28Å; C50-D52 PolarHBondContact O-N 2.91Å; C50-V53 HydrophobicContact CB-CG2 3.86Å; C50-V53 VanDerWaalsContact O-CG2 3.27Å; C50-V53 WeakPolarHBondContact O-CG2 3.44Å; C50-V53 PolarHBondContact O-N 3.31Å; C50-V53 VanDerWaalsContact O-N 3.15Å; C50-M54 VanDerWaalsContact O-CG 3.31Å; C50-M54 WeakPolarHBondContact O-CG 3.32Å; C50-M54 PolarHBondContact O-N 3.24Å; C50-C63 WeakPolarHBondContact CA-SG 3.45Å; C50-C63 HydrophobicContact CB-CB 3.84Å; C50-C63 WeakPolarHBondContact CB-SG 3.44Å; C50-C63 WeakPolarHBondContact SG-CB 3.21Å; C50-C63 CovalentContact SG-SG 2.04Å; C50-C63 PolarHBondContact SG-SG 3.15Å
51	Q	92.2	Very high	91	Very high	151 Å²	151	51.7 Å²	51.7	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.1	-175.5	-168.7	179.8	14.6	0	0	113.1	I46 M54	I46-Q51 PolarHBondContact O-N 3.38Å; Q51-M54 HydrophobicContact CG-SD 4.45Å
52	D	90.4	Very high	91	Very high	131 Å²	131	50.7 Å²	50.7	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.1	-179.1	62.8	-33.1	0	0	0	113.5	C50	C50-D52 PolarHBondContact O-N 2.91Å
53	V	90.8	Very high	91	Very high	30 Å²	30	51.7 Å²	51.7	18%	0.182	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.9	179.7	-62	0	0	0	0	113.6	C50 A55 D56 K59 V60 C63	C50-V53 HydrophobicContact CB-CG2 3.86Å; C50-V53 VanDerWaalsContact O-CG2 3.27Å; C50-V53 WeakPolarHBondContact O-CG2 3.44Å; C50-V53 PolarHBondContact O-N 3.31Å; C50-V53 VanDerWaalsContact O-N 3.15Å; V53-A55 PolarHBondContact O-N 2.88Å; V53-D56 CarbonylContact O-C 3.32Å; V53-D56 VanDerWaalsContact O-C 3.32Å; V53-D56 WeakPolarHBondContact O-CA 3.2Å; V53-D56 PolarHBondContact O-N 3.14Å; V53-K59 HydrophobicContact CB-CB 4.04Å; V53-K59 HydrophobicContact CG1-CB 4.3Å; V53-V60 HydrophobicContact CG2-CG2 4.27Å; V53-C63 HydrophobicContact CG2-CB 3.69Å
54	M	84.6	Confident	91	Very high	56 Å²	56	48.9 Å²	48.9	28%	0.276	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.5	-177.8	-74.1	-174.9	75.3	0	0	114.4	R33 I46 C50 Q51 D56	R33-M54 PolarHBondContact NH2-O 3.24Å; I46-M54 HydrophobicContact CG2-CE 3.94Å; I46-M54 HydrophobicContact CG2-CG 3.73Å; I46-M54 HydrophobicContact CG2-SD 3.89Å; C50-M54 VanDerWaalsContact O-CG 3.31Å; C50-M54 WeakPolarHBondContact O-CG 3.32Å; C50-M54 PolarHBondContact O-N 3.24Å; Q51-M54 HydrophobicContact CG-SD 4.45Å; M54-D56 VanDerWaalsContact C-N 3.32Å
55	A	82.9	Confident	91	Very high	97 Å²	97	46.1 Å²	46.1	80%	0.802	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.9	177	0	0	0	0	0	112.3	V53	V53-A55 PolarHBondContact O-N 2.88Å
56	D	83.3	Confident	90.9	Very high	63 Å²	63	51 Å²	51	34%	0.337	27%	0.266	S	S	.	.	S	Bend	trans	-102.5	85.6	176.7	-172.8	-5.3	0	0	0	108.9	V53 M54 S58 K59	V53-D56 CarbonylContact O-C 3.32Å; V53-D56 VanDerWaalsContact O-C 3.32Å; V53-D56 WeakPolarHBondContact O-CA 3.2Å; V53-D56 PolarHBondContact O-N 3.14Å; M54-D56 VanDerWaalsContact C-N 3.32Å; D56-S58 PolarHBondContact O-N 2.7Å; D56-S58 PolarHBondContact OD1-N 3.35Å; D56-S58 PolarHBondContact OD1-OG 3.01Å; D56-K59 HydrophobicContact CB-CD 4.34Å; D56-K59 PolarHBondContact O-N 3.17Å; D56-K59 WeakPolarHBondContact OD2-CD 3.47Å; D56-K59 WeakPolarHBondContact OD2-CE 3.35Å; D56-K59 IonicContact OD2-NZ 3.8Å; D56-K59 PolarHBondContact OD2-NZ 3.35Å
57	G	81.6	Confident	90.9	Very high	10 Å²	10	51.2 Å²	51.2	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-52.6	-25.5	-176.2	0	0	0	0	0	114.1	S30 K59	S30-G57 CarbonylContact O-C 3.23Å; G57-K59 VanDerWaalsContact C-N 3.27Å; G57-K59 PolarHBondContact O-N 3.09Å
58	S	83.9	Confident	90.7	Very high	27 Å²	27	44.9 Å²	44.9	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-24.8	177.6	75.1	0	0	0	0	113.8	S30 D56 V101	S30-S58 WeakPolarHBondContact O-CA 3.48Å; S30-S58 WeakPolarHBondContact O-CB 3.36Å; S30-S58 PolarHBondContact O-N 2.04Å; D56-S58 PolarHBondContact O-N 2.7Å; D56-S58 PolarHBondContact OD1-N 3.35Å; D56-S58 PolarHBondContact OD1-OG 3.01Å; S58-V101 WeakPolarHBondContact O-CG2 3.12Å
59	K	90.6	Very high	90.3	Very high	87 Å²	87	40.7 Å²	40.7	38%	0.378	22%	0.221	S	C	.	.	H	α-helix	trans	-96.9	-14.3	-177.6	-67.6	-178.3	-177.4	164.7	0	114	V53 D56 G57 L61 H62 C63	V53-K59 HydrophobicContact CB-CB 4.04Å; V53-K59 HydrophobicContact CG1-CB 4.3Å; D56-K59 HydrophobicContact CB-CD 4.34Å; D56-K59 PolarHBondContact O-N 3.17Å; D56-K59 WeakPolarHBondContact OD2-CD 3.47Å; D56-K59 WeakPolarHBondContact OD2-CE 3.35Å; D56-K59 IonicContact OD2-NZ 3.8Å; D56-K59 PolarHBondContact OD2-NZ 3.35Å; G57-K59 VanDerWaalsContact C-N 3.27Å; G57-K59 PolarHBondContact O-N 3.09Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-L61 PolarHBondContact O-N 3.04Å; K59-H62 PolarHBondContact O-N 2.99Å; K59-C63 PolarHBondContact O-N 3.22Å
60	V	93.3	Very high	89.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-42.5	-177.9	176.6	0	0	0	0	111	Y32 I46 V53 C63 L64	Y32-V60 HydrophobicContact CD1-CB 3.63Å; Y32-V60 HydrophobicContact CD1-CG1 3.83Å; Y32-V60 HydrophobicContact CD1-CG2 3.81Å; Y32-V60 HydrophobicContact CD2-CG1 4.34Å; Y32-V60 HydrophobicContact CE1-CB 3.97Å; Y32-V60 HydrophobicContact CE1-CG1 4.04Å; Y32-V60 HydrophobicContact CE1-CG2 3.66Å; Y32-V60 HydrophobicContact CG-CB 4.18Å; Y32-V60 HydrophobicContact CG-CG1 4Å; I46-V60 HydrophobicContact CD1-CG1 4.07Å; I46-V60 HydrophobicContact CG1-CG1 4.02Å; I46-V60 HydrophobicContact CG2-CG1 4.21Å; V53-V60 HydrophobicContact CG2-CG2 4.27Å; V60-C63 WeakPolarHBondContact O-CB 3.25Å; V60-C63 PolarHBondContact O-N 2.83Å; V60-L64 HydrophobicContact CG1-CD1 4.37Å; V60-L64 WeakPolarHBondContact O-CG 3.49Å; V60-L64 PolarHBondContact O-N 3.06Å
61	L	93.4	Very high	89.2	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-43.7	179.5	-171.6	53.7	0	0	0	111.7	F29 L38 K59 C63 L64 M65 V83 A86	F29-L61 HydrophobicContact CD1-CD2 4.33Å; F29-L61 HydrophobicContact CD2-CD2 3.32Å; F29-L61 HydrophobicContact CE1-CD2 4.19Å; F29-L61 HydrophobicContact CE2-CD2 3.17Å; F29-L61 HydrophobicContact CE2-CG 4.12Å; F29-L61 HydrophobicContact CG-CD2 3.94Å; F29-L61 HydrophobicContact CZ-CD2 3.63Å; F29-L61 HydrophobicContact CZ-CG 4.21Å; L38-L61 HydrophobicContact CD1-CD1 3.92Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-L61 PolarHBondContact O-N 3.04Å; L61-C63 VanDerWaalsContact C-N 3.35Å; L61-C63 PolarHBondContact O-N 3.33Å; L61-L64 PolarHBondContact O-N 3.21Å; L61-M65 HydrophobicContact CG-SD 4.27Å; L61-M65 WeakPolarHBondContact O-CG 3.34Å; L61-M65 PolarHBondContact O-N 2.85Å; L61-V83 HydrophobicContact CD1-CG1 4.02Å; L61-V83 HydrophobicContact CD1-CG2 4.29Å; L61-A86 HydrophobicContact CD1-CB 4.39Å; L61-A86 HydrophobicContact CD2-CB 4.24Å
62	H	93.9	Very high	88.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-38.9	173	-83.6	-74.7	0	0	0	113.2	F29 K59 M65 K66 D99 R144 E147	F29-H62 AromaticContact CE1-NE2 3.95Å; K59-H62 PolarHBondContact O-N 2.99Å; H62-M65 PolarHBondContact O-N 3.24Å; H62-K66 PolarHBondContact O-N 3.43Å; H62-D99 IonicContact CE1-OD1 2.71Å; H62-D99 IonicContact CE1-OD2 3.83Å; H62-D99 PolarHBondContact CE1-OD2 2.77Å; H62-D99 IonicContact NE2-OD1 3.85Å; H62-D99 PolarHBondContact NE2-OD1 3.38Å; H62-D99 IonicContact NE2-OD2 3.06Å; H62-D99 PolarHBondContact NE2-OD2 3.14Å; H62-D99 VanDerWaalsContact NE2-OD2 3.13Å; H62-R144 VanDerWaalsContact ND1-CD 3.34Å; H62-R144 WeakPolarHBondContact ND1-CD 3.49Å; H62-E147 WeakPolarHBondContact CB-OE2 2.83Å; H62-E147 IonicContact CE1-OE2 3.42Å; H62-E147 IonicContact CG-OE2 2.64Å; H62-E147 IonicContact ND1-OE2 3.26Å; H62-E147 PolarHBondContact ND1-OE2 2.68Å
63	C	95	Very high	88.3	Confident	20 Å²	20	48.8 Å²	48.8	14%	0.135	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-46.8	172.2	173.9	0	0	0	0	111.6	C50 V53 K59 V60 L61 M65 K66 V67	C50-C63 WeakPolarHBondContact CA-SG 3.45Å; C50-C63 HydrophobicContact CB-CB 3.84Å; C50-C63 WeakPolarHBondContact CB-SG 3.44Å; C50-C63 WeakPolarHBondContact SG-CB 3.21Å; C50-C63 CovalentContact SG-SG 2.04Å; C50-C63 PolarHBondContact SG-SG 3.15Å; V53-C63 HydrophobicContact CG2-CB 3.69Å; K59-C63 PolarHBondContact O-N 3.22Å; V60-C63 WeakPolarHBondContact O-CB 3.25Å; V60-C63 PolarHBondContact O-N 2.83Å; L61-C63 VanDerWaalsContact C-N 3.35Å; L61-C63 PolarHBondContact O-N 3.33Å; C63-M65 VanDerWaalsContact C-N 3.32Å; C63-M65 PolarHBondContact O-N 3.16Å; C63-K66 WeakPolarHBondContact O-CB 3.47Å; C63-K66 PolarHBondContact O-N 2.82Å; C63-K66 VanDerWaalsContact O-N 3.16Å; C63-V67 WeakPolarHBondContact O-CG2 3.49Å; C63-V67 PolarHBondContact O-N 3.29Å
64	L	94.9	Very high	88.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-41	175.2	-68.4	173.2	0	0	0	111.6	L38 C42 D45 I46 V60 L61 K66 V67 V68 M75 V83	L38-L64 HydrophobicContact CD2-CD1 4.28Å; C42-L64 HydrophobicContact CB-CD1 4.09Å; D45-L64 HydrophobicContact CB-CD2 4.18Å; I46-L64 HydrophobicContact CD1-CD1 4.28Å; I46-L64 HydrophobicContact CG1-CD1 3.96Å; I46-L64 HydrophobicContact CG1-CD2 3.96Å; I46-L64 HydrophobicContact CG1-CG 4.29Å; V60-L64 HydrophobicContact CG1-CD1 4.37Å; V60-L64 WeakPolarHBondContact O-CG 3.49Å; V60-L64 PolarHBondContact O-N 3.06Å; L61-L64 PolarHBondContact O-N 3.21Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.99Å; L64-V67 WeakPolarHBondContact O-CB 3.33Å; L64-V67 PolarHBondContact O-N 2.76Å; L64-V68 WeakPolarHBondContact O-CG2 3.39Å; L64-V68 PolarHBondContact O-N 2.99Å; L64-M75 HydrophobicContact CB-CE 4.5Å; L64-M75 HydrophobicContact CD2-CE 4.4Å; L64-V83 HydrophobicContact CB-CG2 3.93Å; L64-V83 HydrophobicContact CD1-CG2 3.98Å
65	M	94.3	Very high	88.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-41.8	174.4	-67.8	168.6	72.7	0	0	111.4	F29 L61 H62 C63 V67 V68 Q69 V83 V87 E147 V148 F151	F29-M65 HydrophobicContact CZ-SD 4.14Å; L61-M65 HydrophobicContact CG-SD 4.27Å; L61-M65 WeakPolarHBondContact O-CG 3.34Å; L61-M65 PolarHBondContact O-N 2.85Å; H62-M65 PolarHBondContact O-N 3.24Å; C63-M65 VanDerWaalsContact C-N 3.32Å; C63-M65 PolarHBondContact O-N 3.16Å; M65-V67 PolarHBondContact O-N 3.03Å; M65-V68 WeakPolarHBondContact O-CB 3.42Å; M65-V68 PolarHBondContact O-N 3.25Å; M65-Q69 WeakPolarHBondContact O-CG 3.37Å; M65-Q69 PolarHBondContact O-N 2.86Å; M65-V83 HydrophobicContact CG-CG1 3.89Å; M65-V87 HydrophobicContact CE-CG2 4.01Å; M65-V87 HydrophobicContact SD-CG2 4.15Å; M65-E147 HydrophobicContact CB-CB 4.12Å; M65-E147 HydrophobicContact CB-CG 4.24Å; M65-E147 VanDerWaalsContact CE-C 3.45Å; M65-E147 HydrophobicContact CE-CB 4.05Å; M65-E147 WeakPolarHBondContact CE-O 3.06Å; M65-V148 HydrophobicContact CE-CG2 4.06Å; M65-F151 HydrophobicContact CB-CE2 3.92Å; M65-F151 HydrophobicContact CE-CD2 3.86Å; M65-F151 HydrophobicContact CE-CE2 3.88Å; M65-F151 HydrophobicContact CG-CE2 3.63Å; M65-F151 HydrophobicContact CG-CZ 4.13Å
66	K	93.1	Very high	89	Confident	105 Å²	105	49.2 Å²	49.2	46%	0.457	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-38.6	174.1	-173.9	175.6	-179.6	173.5	0	112.7	H62 C63 L64 Q69 T70 E147	H62-K66 PolarHBondContact O-N 3.43Å; C63-K66 WeakPolarHBondContact O-CB 3.47Å; C63-K66 PolarHBondContact O-N 2.82Å; C63-K66 VanDerWaalsContact O-N 3.16Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.99Å; K66-Q69 PolarHBondContact O-N 3.37Å; K66-T70 PolarHBondContact O-N 2.95Å; K66-T70 VanDerWaalsContact O-N 3.1Å; K66-T70 PolarHBondContact O-OG1 3.34Å; K66-E147 HydrophobicContact CB-CG 4.45Å
67	V	93	Very high	89.3	Confident	10 Å²	10	50.4 Å²	50.4	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-42.7	175.1	173.4	0	0	0	0	110.6	F49 C63 L64 M65 Q69 T70 R71 F72 M75	F49-V67 HydrophobicContact CB-CG2 3.53Å; F49-V67 HydrophobicContact CD2-CG1 3.77Å; F49-V67 HydrophobicContact CD2-CG2 4.25Å; F49-V67 HydrophobicContact CE2-CG1 3.97Å; F49-V67 HydrophobicContact CG-CG1 4.1Å; F49-V67 HydrophobicContact CG-CG2 3.9Å; F49-V67 HydrophobicContact CZ-CG1 4.45Å; C63-V67 WeakPolarHBondContact O-CG2 3.49Å; C63-V67 PolarHBondContact O-N 3.29Å; L64-V67 WeakPolarHBondContact O-CB 3.33Å; L64-V67 PolarHBondContact O-N 2.76Å; M65-V67 PolarHBondContact O-N 3.03Å; V67-Q69 PolarHBondContact O-N 2.73Å; V67-T70 PolarHBondContact O-N 3.39Å; V67-R71 HydrophobicContact CG1-CB 4.35Å; V67-R71 CarbonylContact O-C 3.37Å; V67-R71 VanDerWaalsContact O-C 3.31Å; V67-R71 WeakPolarHBondContact O-CA 3.38Å; V67-R71 PolarHBondContact O-N 3.01Å; V67-F72 PolarHBondContact O-N 3.4Å; V67-M75 HydrophobicContact CG1-CB 4.31Å; V67-M75 HydrophobicContact CG1-SD 4.22Å
68	V	90.2	Very high	89.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-39.5	174.4	172.2	0	0	0	0	111.2	L64 M65 F72 M75 Y80 Y150 F151	L64-V68 WeakPolarHBondContact O-CG2 3.39Å; L64-V68 PolarHBondContact O-N 2.99Å; M65-V68 WeakPolarHBondContact O-CB 3.42Å; M65-V68 PolarHBondContact O-N 3.25Å; V68-F72 HydrophobicContact CG1-CD2 4.27Å; V68-F72 WeakPolarHBondContact O-CB 2.94Å; V68-M75 HydrophobicContact CB-SD 4.35Å; V68-M75 HydrophobicContact CG2-CE 3.67Å; V68-M75 HydrophobicContact CG2-SD 3.29Å; V68-M75 WeakPolarHBondContact CG2-SD 3.38Å; V68-Y80 HydrophobicContact CG1-CD2 3.79Å; V68-Y80 HydrophobicContact CG1-CE2 3.79Å; V68-Y80 HydrophobicContact CG2-CD2 3.96Å; V68-Y150 HydrophobicContact CG1-CD1 4.1Å; V68-Y150 HydrophobicContact CG1-CE1 3.4Å; V68-Y150 VanDerWaalsContact CG1-CE1 3.4Å; V68-F151 HydrophobicContact CB-CZ 4.24Å; V68-F151 HydrophobicContact CG1-CZ 4.03Å; V68-F151 HydrophobicContact CG2-CZ 4.13Å
69	Q	85.5	Confident	90.4	Very high	33 Å²	33	52.2 Å²	52.2	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-73.6	-42.5	-179.2	-60.7	-168.7	-2	0	0	114	M65 K66 V67 L146 Y150	M65-Q69 WeakPolarHBondContact O-CG 3.37Å; M65-Q69 PolarHBondContact O-N 2.86Å; K66-Q69 PolarHBondContact O-N 3.37Å; V67-Q69 PolarHBondContact O-N 2.73Å; Q69-L146 PolarHBondContact NE2-O 2.83Å; Q69-Y150 HydrophobicContact CB-CD2 4.33Å; Q69-Y150 HydrophobicContact CB-CE2 4.4Å; Q69-Y150 HydrophobicContact CG-CD1 4.42Å; Q69-Y150 HydrophobicContact CG-CD2 3.63Å; Q69-Y150 HydrophobicContact CG-CE2 4.08Å; Q69-Y150 HydrophobicContact CG-CG 3.8Å
70	T	82.6	Confident	90.4	Very high	70 Å²	70	51.1 Å²	51.1	43%	0.429	25%	0.246	S	C	.	.	H	α-helix	trans	-100	-26.8	-165.4	55.6	0	0	0	0	113	K66 V67	K66-T70 PolarHBondContact O-N 2.95Å; K66-T70 VanDerWaalsContact O-N 3.1Å; K66-T70 PolarHBondContact O-OG1 3.34Å; V67-T70 PolarHBondContact O-N 3.39Å
71	R	83.7	Confident	90.3	Very high	130 Å²	130	57.1 Å²	57.1	49%	0.491	27%	0.274	S	S	.	.	H	α-helix	trans	-140	34.6	-171.8	-59.4	-173.4	-176.1	-173.7	1.5	112.3	V67 K73 E74	V67-R71 HydrophobicContact CG1-CB 4.35Å; V67-R71 CarbonylContact O-C 3.37Å; V67-R71 VanDerWaalsContact O-C 3.31Å; V67-R71 WeakPolarHBondContact O-CA 3.38Å; V67-R71 PolarHBondContact O-N 3.01Å; R71-K73 PolarHBondContact O-N 3.45Å; R71-E74 HydrophobicContact CB-CB 4.42Å; R71-E74 PolarHBondContact O-N 3.02Å
72	F	81.4	Confident	90.2	Very high	104 Å²	104	57.9 Å²	57.9	46%	0.456	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-45.1	-43.2	-179.1	-177.2	-107.3	0	0	0	113.8	V67 V68 E74 M75 Y80	V67-F72 PolarHBondContact O-N 3.4Å; V68-F72 HydrophobicContact CG1-CD2 4.27Å; V68-F72 WeakPolarHBondContact O-CB 2.94Å; F72-E74 PolarHBondContact O-N 3.41Å; F72-M75 PolarHBondContact O-N 3.1Å; F72-Y80 HydrophobicContact CD2-CD2 4.35Å; F72-Y80 HydrophobicContact CE2-CD1 4.29Å; F72-Y80 AromaticContact CE2-CD2 3.75Å; F72-Y80 HydrophobicContact CE2-CD2 3.75Å; F72-Y80 AromaticContact CE2-CE2 3.99Å; F72-Y80 HydrophobicContact CE2-CE2 3.99Å; F72-Y80 AromaticContact CE2-CG 3.9Å; F72-Y80 HydrophobicContact CE2-CG 3.9Å
73	K	82.6	Confident	90.1	Very high	178 Å²	178	57.8 Å²	57.8	77%	0.774	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.5	-178.6	-66.5	-176	179.7	177.1	0	114.2	R71	R71-K73 PolarHBondContact O-N 3.45Å
74	E	89.4	Confident	89.8	Confident	86 Å²	86	58.1 Å²	58.1	40%	0.402	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-96.4	-8.4	179.9	-60.5	-174.5	-123.5	0	0	113.7	K48 F49 R71 F72	K48-E74 IonicContact NZ-OE2 2.9Å; K48-E74 PolarHBondContact NZ-OE2 2.95Å; F49-E74 HydrophobicContact CZ-CB 3.76Å; R71-E74 HydrophobicContact CB-CB 4.42Å; R71-E74 PolarHBondContact O-N 3.02Å; F72-E74 PolarHBondContact O-N 3.41Å
75	M	90.5	Very high	89.4	Confident	11 Å²	11	62.1 Å²	62.1	5%	0.054	30%	0.301	C	S	.	.	S	Bend	trans	-91.8	144.4	-177	-173.5	177	-175.6	0	0	111.2	D45 L64 V67 V68 F72 C79 V83	D45-M75 WeakPolarHBondContact OD1-CA 3.47Å; L64-M75 HydrophobicContact CB-CE 4.5Å; L64-M75 HydrophobicContact CD2-CE 4.4Å; V67-M75 HydrophobicContact CG1-CB 4.31Å; V67-M75 HydrophobicContact CG1-SD 4.22Å; V68-M75 HydrophobicContact CB-SD 4.35Å; V68-M75 HydrophobicContact CG2-CE 3.67Å; V68-M75 HydrophobicContact CG2-SD 3.29Å; V68-M75 WeakPolarHBondContact CG2-SD 3.38Å; F72-M75 PolarHBondContact O-N 3.1Å; M75-C79 HydrophobicContact CE-CB 3.89Å; M75-C79 WeakPolarHBondContact CE-SG 3.32Å; M75-C79 HydrophobicContact CG-CB 4.37Å; M75-V83 HydrophobicContact CE-CG2 3.96Å
76	Q	91.8	Very high	89.3	Confident	95 Å²	95	63 Å²	63	44%	0.444	31%	0.308	S	S	.	.			trans	-65.7	134.6	176.3	-63.4	-58.5	-54.7	0	0	111.6	D45 T78 C79 Y80	D45-Q76 PolarHBondContact OD1-N 2.92Å; D45-Q76 VanDerWaalsContact OD1-N 3.15Å; D45-Q76 WeakPolarHBondContact OD2-CB 3.45Å; D45-Q76 WeakPolarHBondContact OD2-CG 3.47Å; D45-Q76 PolarHBondContact OD2-N 2.86Å; Q76-T78 PolarHBondContact O-N 3.47Å; Q76-C79 HydrophobicContact CB-CB 4.24Å; Q76-C79 WeakPolarHBondContact O-CB 3.43Å; Q76-C79 PolarHBondContact O-N 3.33Å; Q76-Y80 PolarHBondContact O-N 2.76Å
77	P	91.4	Very high	89.1	Confident	89 Å²	89	58.2 Å²	58.2	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-57.3	-34.4	178.3	-26.5	34.3	0	0	0	113.6	Y80 Q81	P77-Y80 PolarHBondContact O-N 2.82Å; P77-Q81 WeakPolarHBondContact O-CG 3.46Å; P77-Q81 PolarHBondContact O-N 2.74Å
78	T	93.4	Very high	88.8	Confident	75 Å²	75	61.3 Å²	61.3	46%	0.46	30%	0.3	S	S	.	.	H	α-helix	trans	-67.2	-37.4	176.2	47.7	0	0	0	0	112.2	Q76 S82	Q76-T78 PolarHBondContact O-N 3.47Å; T78-S82 PolarHBondContact O-N 3.43Å; T78-S82 VanDerWaalsContact O-N 3.1Å; T78-S82 PolarHBondContact O-OG 3.13Å
79	C	94.5	Very high	88.6	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-45	174.8	-178.6	0	0	0	0	110.5	A41 C42 D45 M75 Q76 Q81 S82 V83	A41-C79 WeakPolarHBondContact O-CB 3.4Å; C42-C79 WeakPolarHBondContact CA-SG 3.42Å; C42-C79 HydrophobicContact CB-CB 3.92Å; C42-C79 WeakPolarHBondContact CB-SG 3.43Å; C42-C79 WeakPolarHBondContact SG-CA 3.33Å; C42-C79 WeakPolarHBondContact SG-CB 3.45Å; C42-C79 CovalentContact SG-SG 2.03Å; C42-C79 PolarHBondContact SG-SG 3.01Å; D45-C79 WeakPolarHBondContact OD2-CB 3.41Å; M75-C79 HydrophobicContact CE-CB 3.89Å; M75-C79 WeakPolarHBondContact CE-SG 3.32Å; M75-C79 HydrophobicContact CG-CB 4.37Å; Q76-C79 HydrophobicContact CB-CB 4.24Å; Q76-C79 WeakPolarHBondContact O-CB 3.43Å; Q76-C79 PolarHBondContact O-N 3.33Å; C79-Q81 VanDerWaalsContact C-N 3.34Å; C79-Q81 PolarHBondContact O-N 3.47Å; C79-S82 PolarHBondContact O-N 3.3Å; C79-V83 WeakPolarHBondContact O-CG2 3.48Å; C79-V83 PolarHBondContact O-N 2.95Å
80	Y	91.3	Very high	88.8	Confident	63 Å²	63	61.6 Å²	61.6	25%	0.247	30%	0.304	C	S	.	.	H	α-helix	trans	-54.7	-48.3	174.9	168.3	-102.3	0	0	0	112.1	V68 F72 Q76 P77 S82 V83 A84 F151	V68-Y80 HydrophobicContact CG1-CD2 3.79Å; V68-Y80 HydrophobicContact CG1-CE2 3.79Å; V68-Y80 HydrophobicContact CG2-CD2 3.96Å; F72-Y80 HydrophobicContact CD2-CD2 4.35Å; F72-Y80 HydrophobicContact CE2-CD1 4.29Å; F72-Y80 AromaticContact CE2-CD2 3.75Å; F72-Y80 HydrophobicContact CE2-CD2 3.75Å; F72-Y80 AromaticContact CE2-CE2 3.99Å; F72-Y80 HydrophobicContact CE2-CE2 3.99Å; F72-Y80 AromaticContact CE2-CG 3.9Å; F72-Y80 HydrophobicContact CE2-CG 3.9Å; Q76-Y80 PolarHBondContact O-N 2.76Å; P77-Y80 PolarHBondContact O-N 2.82Å; Y80-S82 VanDerWaalsContact C-N 3.27Å; Y80-S82 PolarHBondContact O-N 3Å; Y80-V83 PolarHBondContact O-N 2.68Å; Y80-A84 WeakPolarHBondContact O-CB 2.86Å; Y80-A84 PolarHBondContact O-N 3.49Å; Y80-F151 HydrophobicContact CE2-CE1 4.17Å
81	Q	89.6	Confident	89.2	Confident	126 Å²	126	59.6 Å²	59.6	59%	0.589	29%	0.291	S	S	*	.	H	α-helix	trans	-59.5	-38.7	177.3	-72.7	173.7	2.2	0	0	112.2	P77 C79 K85	P77-Q81 WeakPolarHBondContact O-CG 3.46Å; P77-Q81 PolarHBondContact O-N 2.74Å; C79-Q81 VanDerWaalsContact C-N 3.34Å; C79-Q81 PolarHBondContact O-N 3.47Å; Q81-K85 VanDerWaalsContact O-CB 3.31Å; Q81-K85 WeakPolarHBondContact O-CB 3.47Å; Q81-K85 PolarHBondContact O-N 3.06Å
82	S	91.7	Very high	89.6	Confident	19 Å²	19	53.6 Å²	53.6	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-70.6	-40.7	179.4	-57.8	0	0	0	0	112.1	A41 T78 C79 Y80 K85 A86	A41-S82 WeakPolarHBondContact CB-OG 3.48Å; T78-S82 PolarHBondContact O-N 3.43Å; T78-S82 VanDerWaalsContact O-N 3.1Å; T78-S82 PolarHBondContact O-OG 3.13Å; C79-S82 PolarHBondContact O-N 3.3Å; Y80-S82 VanDerWaalsContact C-N 3.27Å; Y80-S82 PolarHBondContact O-N 3Å; S82-K85 PolarHBondContact O-N 3.14Å; S82-A86 PolarHBondContact O-N 3.45Å
83	V	91.8	Very high	90.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-46.7	173.5	174.3	0	0	0	0	110.6	L61 L64 M65 M75 C79 Y80 K85 A86 V87 F151	L61-V83 HydrophobicContact CD1-CG1 4.02Å; L61-V83 HydrophobicContact CD1-CG2 4.29Å; L64-V83 HydrophobicContact CB-CG2 3.93Å; L64-V83 HydrophobicContact CD1-CG2 3.98Å; M65-V83 HydrophobicContact CG-CG1 3.89Å; M75-V83 HydrophobicContact CE-CG2 3.96Å; C79-V83 WeakPolarHBondContact O-CG2 3.48Å; C79-V83 PolarHBondContact O-N 2.95Å; Y80-V83 PolarHBondContact O-N 2.68Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.36Å; V83-A86 WeakPolarHBondContact O-CB 3.47Å; V83-A86 PolarHBondContact O-N 2.57Å; V83-A86 VanDerWaalsContact O-N 3.11Å; V83-V87 WeakPolarHBondContact O-CG2 3.49Å; V83-V87 PolarHBondContact O-N 3.47Å; V83-F151 HydrophobicContact CG1-CE1 4.13Å; V83-F151 HydrophobicContact CG1-CE2 4.48Å; V83-F151 HydrophobicContact CG1-CZ 3.66Å
84	A	88.7	Confident	90.5	Very high	26 Å²	26	45.2 Å²	45.2	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-40.1	176.5	0	0	0	0	0	111.8	Y80 V87 K88 F151	Y80-A84 WeakPolarHBondContact O-CB 2.86Å; Y80-A84 PolarHBondContact O-N 3.49Å; A84-V87 PolarHBondContact O-N 3.25Å; A84-K88 WeakPolarHBondContact O-CB 3.29Å; A84-K88 PolarHBondContact O-N 2.98Å; A84-F151 HydrophobicContact CB-CD1 4.26Å; A84-F151 HydrophobicContact CB-CE1 4.14Å
85	K	87.6	Confident	90.6	Very high	85 Å²	85	42.5 Å²	42.5	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-63.7	-42.9	173.7	-176.5	-179.8	177.7	-178.9	0	112	E37 Q81 S82 V83 K88 V89	E37-K85 IonicContact OE2-NZ 3.37Å; E37-K85 PolarHBondContact OE2-NZ 2.79Å; Q81-K85 VanDerWaalsContact O-CB 3.31Å; Q81-K85 WeakPolarHBondContact O-CB 3.47Å; Q81-K85 PolarHBondContact O-N 3.06Å; S82-K85 PolarHBondContact O-N 3.14Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.36Å; K85-K88 WeakPolarHBondContact O-CB 3.5Å; K85-K88 PolarHBondContact O-N 3.02Å; K85-V89 HydrophobicContact CG-CG2 4.48Å; K85-V89 WeakPolarHBondContact O-CG2 3.44Å; K85-V89 PolarHBondContact O-N 3.16Å
86	A	90.6	Very high	90.7	Very high	18 Å²	18	42.3 Å²	42.3	15%	0.149	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-45.6	177.3	0	0	0	0	0	111.7	L38 L61 S82 V83 K88 V89 A90	L38-A86 HydrophobicContact CD1-CB 3.9Å; L61-A86 HydrophobicContact CD1-CB 4.39Å; L61-A86 HydrophobicContact CD2-CB 4.24Å; S82-A86 PolarHBondContact O-N 3.45Å; V83-A86 WeakPolarHBondContact O-CB 3.47Å; V83-A86 PolarHBondContact O-N 2.57Å; V83-A86 VanDerWaalsContact O-N 3.11Å; A86-K88 VanDerWaalsContact C-N 3.31Å; A86-K88 PolarHBondContact O-N 2.7Å; A86-V89 PolarHBondContact O-N 3.39Å; A86-A90 WeakPolarHBondContact O-CB 3.19Å; A86-A90 PolarHBondContact O-N 2.92Å
87	V	90	Very high	90.7	Very high	5 Å²	5	43 Å²	43	3%	0.03	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-41.9	174.6	176	0	0	0	0	111.1	F29 M65 V83 A84 A90 D91 F151 L158	F29-V87 HydrophobicContact CE2-CG2 4.29Å; M65-V87 HydrophobicContact CE-CG2 4.01Å; M65-V87 HydrophobicContact SD-CG2 4.15Å; V83-V87 WeakPolarHBondContact O-CG2 3.49Å; V83-V87 PolarHBondContact O-N 3.47Å; A84-V87 PolarHBondContact O-N 3.25Å; V87-A90 PolarHBondContact O-N 2.72Å; V87-D91 PolarHBondContact O-N 2.89Å; V87-F151 HydrophobicContact CG1-CB 3.97Å; V87-F151 HydrophobicContact CG1-CG 4.26Å; V87-F151 HydrophobicContact CG2-CD1 4.46Å; V87-F151 HydrophobicContact CG2-CD2 4.23Å; V87-F151 HydrophobicContact CG2-CE2 4.44Å; V87-F151 HydrophobicContact CG2-CG 4.26Å; V87-L158 HydrophobicContact CG1-CD1 4.5Å
88	K	87.1	Confident	90.8	Very high	74 Å²	74	38.8 Å²	38.8	32%	0.322	19%	0.188	S	C	.	.	H	α-helix	trans	-62.8	-42.8	176.6	-175.8	162	-179.5	156.6	0	113.4	A84 K85 A86 T157 L158 A181	A84-K88 WeakPolarHBondContact O-CB 3.29Å; A84-K88 PolarHBondContact O-N 2.98Å; K85-K88 WeakPolarHBondContact O-CB 3.5Å; K85-K88 PolarHBondContact O-N 3.02Å; A86-K88 VanDerWaalsContact C-N 3.31Å; A86-K88 PolarHBondContact O-N 2.7Å; K88-T157 PolarHBondContact NZ-OG1 2.56Å; K88-L158 HydrophobicContact CB-CD2 3.57Å; K88-L158 HydrophobicContact CD-CD2 4.02Å; K88-L158 HydrophobicContact CG-CD2 3.59Å; K88-A181 PolarHBondContact NZ-O 3.4Å
89	V	86.3	Confident	90.9	Very high	37 Å²	37	35.3 Å²	35.3	22%	0.224	17%	0.166	C	C	.	.	H	α-helix	trans	-70.5	-36.6	179.9	170.8	0	0	0	0	111.4	I4 R25 K85 A86 D91	I4-V89 HydrophobicContact CD1-CG1 3.68Å; R25-V89 PolarHBondContact NE-O 2.83Å; K85-V89 HydrophobicContact CG-CG2 4.48Å; K85-V89 WeakPolarHBondContact O-CG2 3.44Å; K85-V89 PolarHBondContact O-N 3.16Å; A86-V89 PolarHBondContact O-N 3.39Å; V89-D91 VanDerWaalsContact C-N 3.29Å; V89-D91 PolarHBondContact O-N 3.41Å
90	A	89.7	Confident	90.8	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-32.7	177.9	0	0	0	0	0	112.8	F29 A86 V87 I92 V98	F29-A90 HydrophobicContact CB-CB 4.18Å; F29-A90 HydrophobicContact CD2-CB 3.34Å; F29-A90 HydrophobicContact CE2-CB 3.89Å; F29-A90 HydrophobicContact CG-CB 3.92Å; A86-A90 WeakPolarHBondContact O-CB 3.19Å; A86-A90 PolarHBondContact O-N 2.92Å; V87-A90 PolarHBondContact O-N 2.72Å; A90-I92 VanDerWaalsContact C-N 3.28Å; A90-I92 HydrophobicContact CB-CD1 4.47Å; A90-I92 HydrophobicContact CB-CG1 3.89Å; A90-I92 PolarHBondContact O-N 3.44Å; A90-V98 HydrophobicContact CB-CG1 3.96Å
91	D	89.1	Confident	91	Very high	28 Å²	28	34 Å²	34	15%	0.15	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	46.1	175.9	-169.5	13.6	0	0	0	111.8	R25 V87 V89 S93 R94 N95 S160	R25-D91 IonicContact CZ-OD2 3.9Å; R25-D91 IonicContact NH1-OD2 2.74Å; R25-D91 PolarHBondContact NH1-OD2 3.44Å; R25-D91 IonicContact NH2-OD2 2.78Å; R25-D91 PolarHBondContact NH2-OD2 3.12Å; V87-D91 PolarHBondContact O-N 2.89Å; V89-D91 VanDerWaalsContact C-N 3.29Å; V89-D91 PolarHBondContact O-N 3.41Å; D91-S93 PolarHBondContact O-N 3.28Å; D91-S93 VanDerWaalsContact O-N 3.16Å; D91-R94 PolarHBondContact O-N 3.06Å; D91-R94 WeakPolarHBondContact OD1-CB 3.33Å; D91-R94 IonicContact OD2-NE 3.13Å; D91-N95 PolarHBondContact O-N 3.34Å; D91-S160 PolarHBondContact OD1-OG 2.57Å
92	I	92.9	Very high	91.2	Very high	3 Å²	3	28 Å²	28	2%	0.015	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.1	-175.2	-53.3	169.8	0	0	0	110.8	F29 A90 R94 N95 Y96 D99 L102 L125 V148	F29-I92 HydrophobicContact CE1-CD1 3.95Å; F29-I92 HydrophobicContact CE2-CD1 3.8Å; F29-I92 HydrophobicContact CZ-CD1 3.45Å; F29-I92 VanDerWaalsContact CZ-CD1 3.45Å; F29-I92 HydrophobicContact CZ-CG1 4.5Å; A90-I92 VanDerWaalsContact C-N 3.28Å; A90-I92 HydrophobicContact CB-CD1 4.47Å; A90-I92 HydrophobicContact CB-CG1 3.89Å; A90-I92 PolarHBondContact O-N 3.44Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 3.39Å; I92-N95 CarbonylContact O-C 3.14Å; I92-N95 PolarHBondContact O-N 2.96Å; I92-Y96 WeakPolarHBondContact O-CA 3.35Å; I92-Y96 PolarHBondContact O-N 2.63Å; I92-Y96 VanDerWaalsContact O-N 3.1Å; I92-D99 HydrophobicContact CD1-CB 4.38Å; I92-D99 HydrophobicContact CG1-CB 4.46Å; I92-D99 HydrophobicContact CG2-CB 4.08Å; I92-L102 HydrophobicContact CG2-CD2 4.3Å; I92-L125 HydrophobicContact CG2-CD1 4.4Å; I92-V148 HydrophobicContact CB-CG1 4.35Å; I92-V148 HydrophobicContact CD1-CG1 4.25Å; I92-V148 HydrophobicContact CD1-CG2 4.01Å; I92-V148 HydrophobicContact CG2-CG1 4.09Å
93	S	91.4	Very high	91.4	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.035	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-35.2	176.1	175	0	0	0	0	113.2	D91 L158 S160	D91-S93 PolarHBondContact O-N 3.28Å; D91-S93 VanDerWaalsContact O-N 3.16Å; S93-L158 WeakPolarHBondContact CB-O 3.48Å; S93-S160 PolarHBondContact OG-N 3.06Å
94	R	91.1	Very high	91.5	Very high	101 Å²	101	33.1 Å²	33.1	38%	0.381	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-38.3	177.2	-170.5	167.5	-68.7	-94.8	-8.3	111.8	D91 I92 T122 S160 D164	D91-R94 PolarHBondContact O-N 3.06Å; D91-R94 WeakPolarHBondContact OD1-CB 3.33Å; D91-R94 IonicContact OD2-NE 3.13Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 3.39Å; R94-T122 HydrophobicContact CG-CG2 4.43Å; R94-S160 PolarHBondContact NE-OG 3.08Å; R94-S160 PolarHBondContact NH2-OG 2.97Å; R94-D164 IonicContact CZ-OD2 3.61Å; R94-D164 IonicContact NH1-OD2 2.9Å; R94-D164 IonicContact NH2-OD1 3.41Å; R94-D164 IonicContact NH2-OD2 3.55Å; R94-D164 PolarHBondContact NH2-OD2 3.45Å
95	N	92.1	Very high	91.8	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	16%	0.162	C	C	.	.			trans	-146.3	98.6	178.8	-167.3	-16.5	0	0	0	112	T22 D91 I92 R97 V98	T22-N95 WeakPolarHBondContact CG2-ND2 3.48Å; D91-N95 PolarHBondContact O-N 3.34Å; I92-N95 CarbonylContact O-C 3.14Å; I92-N95 PolarHBondContact O-N 2.96Å; N95-R97 PolarHBondContact O-N 3.29Å; N95-R97 VanDerWaalsContact O-N 3.07Å; N95-R97 VanDerWaalsContact OD1-CB 3.28Å; N95-R97 WeakPolarHBondContact OD1-CB 3.4Å; N95-R97 WeakPolarHBondContact OD1-CG 3.37Å; N95-R97 PolarHBondContact OD1-N 3.2Å; N95-R97 VanDerWaalsContact OD1-N 3.11Å; N95-V98 HydrophobicContact CB-CG2 4.36Å; N95-V98 WeakPolarHBondContact O-CB 3.4Å; N95-V98 WeakPolarHBondContact O-CG2 3.44Å; N95-V98 PolarHBondContact O-N 3.27Å; N95-V98 VanDerWaalsContact O-N 3.16Å
96	Y	92.8	Very high	92.3	Very high	7 Å²	7	30 Å²	30	3%	0.027	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59.4	-21.5	179.9	72.1	-81.3	0	0	0	113.7	I92 V98 D99 Y103 I110 E121 M124	I92-Y96 WeakPolarHBondContact O-CA 3.35Å; I92-Y96 PolarHBondContact O-N 2.63Å; I92-Y96 VanDerWaalsContact O-N 3.1Å; Y96-V98 PolarHBondContact O-N 2.92Å; Y96-D99 PolarHBondContact O-N 3.2Å; Y96-D99 VanDerWaalsContact O-N 3.13Å; Y96-Y103 HydrophobicContact CD2-CD2 4.2Å; Y96-Y103 AromaticContact CE2-CD2 3.63Å; Y96-Y103 HydrophobicContact CE2-CD2 3.63Å; Y96-Y103 AromaticContact CE2-CE2 3.99Å; Y96-Y103 HydrophobicContact CE2-CE2 3.99Å; Y96-I110 HydrophobicContact CD2-CD1 4.15Å; Y96-I110 HydrophobicContact CE2-CD1 3.92Å; Y96-I110 HydrophobicContact CE2-CG1 4.45Å; Y96-I110 HydrophobicContact CE2-CG2 3.92Å; Y96-E121 HydrophobicContact CD1-CB 4.43Å; Y96-E121 HydrophobicContact CE1-CB 4.38Å; Y96-E121 HydrophobicContact CE1-CG 4.32Å; Y96-M124 HydrophobicContact CD1-CB 3.39Å; Y96-M124 HydrophobicContact CD1-CG 3.58Å; Y96-M124 HydrophobicContact CD2-CG 3.93Å; Y96-M124 HydrophobicContact CE1-CB 3.59Å; Y96-M124 HydrophobicContact CE1-CE 4.01Å; Y96-M124 HydrophobicContact CE1-CG 3.58Å; Y96-M124 HydrophobicContact CE2-CG 3.92Å; Y96-M124 HydrophobicContact CG-CB 3.96Å; Y96-M124 HydrophobicContact CG-CG 3.77Å
97	R	92.4	Very high	92.5	Very high	110 Å²	110	34.5 Å²	34.5	42%	0.415	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-69.2	-14.3	-179.9	-56.9	178.1	-177.5	-87.2	2	113.4	N95	N95-R97 PolarHBondContact O-N 3.29Å; N95-R97 VanDerWaalsContact O-N 3.07Å; N95-R97 VanDerWaalsContact OD1-CB 3.28Å; N95-R97 WeakPolarHBondContact OD1-CB 3.4Å; N95-R97 WeakPolarHBondContact OD1-CG 3.37Å; N95-R97 PolarHBondContact OD1-N 3.2Å; N95-R97 VanDerWaalsContact OD1-N 3.11Å
98	V	93	Very high	92.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.6	-35.7	171.5	170.5	0	0	0	0	110.6	T22 R25 F29 A90 N95 Y96 S100	T22-V98 HydrophobicContact CG2-CG2 4.05Å; R25-V98 HydrophobicContact CB-CG1 3.89Å; R25-V98 HydrophobicContact CB-CG2 4.08Å; F29-V98 HydrophobicContact CB-CG1 4.21Å; A90-V98 HydrophobicContact CB-CG1 3.96Å; N95-V98 HydrophobicContact CB-CG2 4.36Å; N95-V98 WeakPolarHBondContact O-CB 3.4Å; N95-V98 WeakPolarHBondContact O-CG2 3.44Å; N95-V98 PolarHBondContact O-N 3.27Å; N95-V98 VanDerWaalsContact O-N 3.16Å; Y96-V98 PolarHBondContact O-N 2.92Å; V98-S100 PolarHBondContact O-N 2.94Å
99	D	94.6	Very high	93	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.169	C	C	.	.			trans	-89.2	95.8	175.5	-173.1	-18.5	0	0	0	109.7	F29 H62 I92 Y96 V101 L102 Y103	F29-D99 HydrophobicContact CD1-CB 4.18Å; F29-D99 HydrophobicContact CE1-CB 3.98Å; H62-D99 IonicContact CE1-OD1 2.71Å; H62-D99 IonicContact CE1-OD2 3.83Å; H62-D99 PolarHBondContact CE1-OD2 2.77Å; H62-D99 IonicContact NE2-OD1 3.85Å; H62-D99 PolarHBondContact NE2-OD1 3.38Å; H62-D99 IonicContact NE2-OD2 3.06Å; H62-D99 PolarHBondContact NE2-OD2 3.14Å; H62-D99 VanDerWaalsContact NE2-OD2 3.13Å; I92-D99 HydrophobicContact CD1-CB 4.38Å; I92-D99 HydrophobicContact CG1-CB 4.46Å; I92-D99 HydrophobicContact CG2-CB 4.08Å; Y96-D99 PolarHBondContact O-N 3.2Å; Y96-D99 VanDerWaalsContact O-N 3.13Å; D99-V101 VanDerWaalsContact C-N 3.29Å; D99-V101 PolarHBondContact O-N 3.05Å; D99-V101 PolarHBondContact OD1-N 2.86Å; D99-V101 VanDerWaalsContact OD1-N 3.11Å; D99-L102 HydrophobicContact CB-CB 3.86Å; D99-L102 HydrophobicContact CB-CD2 4.44Å; D99-L102 WeakPolarHBondContact OD1-CB 3.48Å; D99-L102 PolarHBondContact OD1-N 2.04Å; D99-L102 VanDerWaalsContact OD2-CB 3.31Å; D99-L102 WeakPolarHBondContact OD2-CB 3.02Å; D99-Y103 WeakPolarHBondContact O-CB 3.05Å; D99-Y103 PolarHBondContact O-N 3.33Å
100	S	93.3	Very high	93.5	Very high	27 Å²	27	32.7 Å²	32.7	19%	0.189	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-28.1	-178.6	63	0	0	0	0	112.9	S30 V98 N104	S30-S100 PolarHBondContact OG-OG 3.19Å; S30-S100 VanDerWaalsContact OG-OG 3.14Å; V98-S100 PolarHBondContact O-N 2.94Å; S100-N104 WeakPolarHBondContact O-CB 3.33Å; S100-N104 PolarHBondContact O-N 3.09Å; S100-N104 VanDerWaalsContact O-N 3.13Å; S100-N104 PolarHBondContact O-ND2 3.38Å
101	V	94.4	Very high	93.7	Very high	8 Å²	8	37 Å²	37	5%	0.048	18%	0.179	C	C	.	.	H	α-helix	trans	-74.1	-49.7	179.1	-177.5	0	0	0	0	109.2	S58 D99 Y103 N104 D105 R144	S58-V101 WeakPolarHBondContact O-CG2 3.12Å; D99-V101 VanDerWaalsContact C-N 3.29Å; D99-V101 PolarHBondContact O-N 3.05Å; D99-V101 PolarHBondContact OD1-N 2.86Å; D99-V101 VanDerWaalsContact OD1-N 3.11Å; V101-Y103 VanDerWaalsContact C-N 3.33Å; V101-Y103 PolarHBondContact O-N 2.91Å; V101-N104 PolarHBondContact O-N 2.84Å; V101-D105 WeakPolarHBondContact O-CB 3.33Å; V101-D105 PolarHBondContact O-N 2.91Å; V101-R144 HydrophobicContact CG1-CG 4.27Å
102	L	95.3	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-45.9	172.8	-178.9	74.4	0	0	0	111.6	I92 D99 N104 C106 L125 R144 L145 V148	I92-L102 HydrophobicContact CG2-CD2 4.3Å; D99-L102 HydrophobicContact CB-CB 3.86Å; D99-L102 HydrophobicContact CB-CD2 4.44Å; D99-L102 WeakPolarHBondContact OD1-CB 3.48Å; D99-L102 PolarHBondContact OD1-N 2.04Å; D99-L102 VanDerWaalsContact OD2-CB 3.31Å; D99-L102 WeakPolarHBondContact OD2-CB 3.02Å; L102-N104 VanDerWaalsContact C-N 3.31Å; L102-N104 PolarHBondContact O-N 3.43Å; L102-C106 WeakPolarHBondContact O-CB 3.34Å; L102-C106 PolarHBondContact O-N 2.85Å; L102-C106 PolarHBondContact O-SG 3.27Å; L102-L125 HydrophobicContact CD2-CD2 3.69Å; L102-R144 HydrophobicContact CB-CB 4.43Å; L102-R144 HydrophobicContact CD1-CB 3.6Å; L102-L145 HydrophobicContact CD1-CB 4.31Å; L102-V148 HydrophobicContact CD2-CG2 4.47Å
103	Y	94.8	Very high	93.8	Very high	48 Å²	48	39.4 Å²	39.4	19%	0.188	20%	0.203	C	C	.	.	H	α-helix	trans	-56.9	-45.4	178.1	-179.1	-86.6	0	0	0	112.1	Y96 D99 V101 R107 I110 E111	Y96-Y103 HydrophobicContact CD2-CD2 4.2Å; Y96-Y103 AromaticContact CE2-CD2 3.63Å; Y96-Y103 HydrophobicContact CE2-CD2 3.63Å; Y96-Y103 AromaticContact CE2-CE2 3.99Å; Y96-Y103 HydrophobicContact CE2-CE2 3.99Å; D99-Y103 WeakPolarHBondContact O-CB 3.05Å; D99-Y103 PolarHBondContact O-N 3.33Å; V101-Y103 VanDerWaalsContact C-N 3.33Å; V101-Y103 PolarHBondContact O-N 2.91Å; Y103-R107 WeakPolarHBondContact O-CA 3.46Å; Y103-R107 WeakPolarHBondContact O-CB 3.43Å; Y103-R107 PolarHBondContact O-N 2.93Å; Y103-R107 VanDerWaalsContact O-N 3.09Å; Y103-I110 HydrophobicContact CD2-CD1 4.18Å; Y103-I110 HydrophobicContact CE2-CG2 4.22Å; Y103-E111 PolarHBondContact OH-OE1 3.33Å
104	N	94.8	Very high	94	Very high	79 Å²	79	39.2 Å²	39.2	42%	0.422	20%	0.201	S	C	.	.	H	α-helix	trans	-72.1	-46.5	-176.3	-73.2	-34	0	0	0	111.8	S100 V101 L102 C106 R107	S100-N104 WeakPolarHBondContact O-CB 3.33Å; S100-N104 PolarHBondContact O-N 3.09Å; S100-N104 VanDerWaalsContact O-N 3.13Å; S100-N104 PolarHBondContact O-ND2 3.38Å; V101-N104 PolarHBondContact O-N 2.84Å; L102-N104 VanDerWaalsContact C-N 3.31Å; L102-N104 PolarHBondContact O-N 3.43Å; N104-C106 VanDerWaalsContact C-N 3.28Å; N104-C106 PolarHBondContact O-N 3Å; N104-R107 WeakPolarHBondContact O-CB 3.38Å; N104-R107 PolarHBondContact O-N 2.84Å; N104-R107 PolarHBondContact OD1-NH2 3.27Å
105	D	95.4	Very high	94.1	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-32.4	-178.5	-68.8	-6	0	0	0	110.8	V101 E140 C141 R144	V101-D105 WeakPolarHBondContact O-CB 3.33Å; V101-D105 PolarHBondContact O-N 2.91Å; D105-E140 HydrophobicContact CB-CB 4.09Å; D105-C141 WeakPolarHBondContact O-CB 3.4Å; D105-R144 HydrophobicContact CB-CG 4.04Å; D105-R144 WeakPolarHBondContact OD2-CG 3.27Å; D105-R144 IonicContact OD2-NE 3.17Å; D105-R144 PolarHBondContact OD2-NE 3.42Å; D105-R144 VanDerWaalsContact OD2-NE 3.15Å
106	C	96.1	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.4	179.1	-62.1	0	0	0	0	115.3	L102 N104 A108 I109 I110 L128 C141	L102-C106 WeakPolarHBondContact O-CB 3.34Å; L102-C106 PolarHBondContact O-N 2.85Å; L102-C106 PolarHBondContact O-SG 3.27Å; N104-C106 VanDerWaalsContact C-N 3.28Å; N104-C106 PolarHBondContact O-N 3Å; C106-A108 PolarHBondContact O-N 3.17Å; C106-A108 VanDerWaalsContact O-N 3.08Å; C106-I109 PolarHBondContact O-N 3.12Å; C106-I110 HydrophobicContact CB-CD1 3.72Å; C106-I110 HydrophobicContact CB-CG1 4.12Å; C106-I110 WeakPolarHBondContact O-CG1 3.23Å; C106-I110 PolarHBondContact O-N 3.13Å; C106-I110 VanDerWaalsContact O-N 3.08Å; C106-L128 HydrophobicContact CB-CD1 4.28Å; C106-L128 HydrophobicContact CB-CD2 4.16Å; C106-C141 WeakPolarHBondContact CA-SG 3.36Å; C106-C141 HydrophobicContact CB-CB 3.95Å; C106-C141 WeakPolarHBondContact CB-SG 3.48Å; C106-C141 WeakPolarHBondContact SG-CA 3.47Å; C106-C141 WeakPolarHBondContact SG-CB 3.36Å; C106-C141 CovalentContact SG-SG 2.02Å; C106-C141 PolarHBondContact SG-SG 3.02Å
107	R	95.6	Very high	93.8	Very high	112 Å²	112	52.8 Å²	52.8	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-53	-39.5	-170.2	-171.5	-178.6	-65.3	-173.1	-0.7	113.3	Y103 N104 I109 I110 E111	Y103-R107 WeakPolarHBondContact O-CA 3.46Å; Y103-R107 WeakPolarHBondContact O-CB 3.43Å; Y103-R107 PolarHBondContact O-N 2.93Å; Y103-R107 VanDerWaalsContact O-N 3.09Å; N104-R107 WeakPolarHBondContact O-CB 3.38Å; N104-R107 PolarHBondContact O-N 2.84Å; N104-R107 PolarHBondContact OD1-NH2 3.27Å; R107-I109 VanDerWaalsContact C-N 3.29Å; R107-I109 PolarHBondContact O-N 3.23Å; R107-I110 PolarHBondContact O-N 2.95Å; R107-E111 VanDerWaalsContact CG-CD 3.42Å; R107-E111 HydrophobicContact CG-CG 3.99Å; R107-E111 WeakPolarHBondContact CG-OE1 3.31Å; R107-E111 WeakPolarHBondContact O-CB 3.01Å; R107-E111 PolarHBondContact O-N 2.81Å
108	A	93.7	Very high	93.7	Very high	67 Å²	67	48.9 Å²	48.9	55%	0.554	26%	0.26	S	S	*	.	H	α-helix	trans	-59	-38.5	-178.8	0	0	0	0	0	113.1	C106 G112	C106-A108 PolarHBondContact O-N 3.17Å; C106-A108 VanDerWaalsContact O-N 3.08Å; A108-G112 WeakPolarHBondContact O-CA 3.13Å; A108-G112 PolarHBondContact O-N 2.9Å
109	I	95.1	Very high	93.6	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-83.6	-39.6	179.4	-57.1	-53.3	0	0	0	110.9	C106 R107 G112 P113 C114 L128 H131 E136 L137	C106-I109 PolarHBondContact O-N 3.12Å; R107-I109 VanDerWaalsContact C-N 3.29Å; R107-I109 PolarHBondContact O-N 3.23Å; I109-G112 CarbonylContact O-C 3.19Å; I109-G112 PolarHBondContact O-N 3.07Å; I109-P113 HydrophobicContact CD1-CG 4.27Å; I109-P113 HydrophobicContact CG2-CG 3.92Å; I109-P113 WeakPolarHBondContact O-CD 3.39Å; I109-C114 WeakPolarHBondContact O-CB 3.43Å; I109-C114 PolarHBondContact O-N 3.34Å; I109-C114 VanDerWaalsContact O-N 3.09Å; I109-L128 HydrophobicContact CB-CD2 3.86Å; I109-L128 HydrophobicContact CG2-CD2 3.61Å; I109-H131 HydrophobicContact CG2-CB 4.23Å; I109-E136 HydrophobicContact CD1-CB 4.14Å; I109-L137 HydrophobicContact CB-CD1 4.44Å; I109-L137 HydrophobicContact CG1-CD1 3.6Å
110	I	95.2	Very high	93.4	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-49.5	178.3	-65.5	169.2	0	0	0	111.4	Y96 Y103 C106 R107 G112 R115 M124 L128	Y96-I110 HydrophobicContact CD2-CD1 4.15Å; Y96-I110 HydrophobicContact CE2-CD1 3.92Å; Y96-I110 HydrophobicContact CE2-CG1 4.45Å; Y96-I110 HydrophobicContact CE2-CG2 3.92Å; Y103-I110 HydrophobicContact CD2-CD1 4.18Å; Y103-I110 HydrophobicContact CE2-CG2 4.22Å; C106-I110 HydrophobicContact CB-CD1 3.72Å; C106-I110 HydrophobicContact CB-CG1 4.12Å; C106-I110 WeakPolarHBondContact O-CG1 3.23Å; C106-I110 PolarHBondContact O-N 3.13Å; C106-I110 VanDerWaalsContact O-N 3.08Å; R107-I110 PolarHBondContact O-N 2.95Å; I110-G112 VanDerWaalsContact C-N 3.34Å; I110-R115 PolarHBondContact O-N 3.42Å; I110-M124 HydrophobicContact CB-SD 4.44Å; I110-M124 HydrophobicContact CG1-SD 4.19Å; I110-M124 HydrophobicContact CG2-CE 4.11Å; I110-M124 HydrophobicContact CG2-SD 4.18Å; I110-L128 HydrophobicContact CD1-CD1 4.42Å; I110-L128 HydrophobicContact CG1-CD1 4.23Å; I110-L128 HydrophobicContact CG1-CD2 3.86Å; I110-L128 HydrophobicContact CG1-CG 4.48Å
111	E	93.8	Very high	93.2	Very high	94 Å²	94	58.6 Å²	58.6	44%	0.439	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.7	-177.2	-64.1	-179.3	-179.5	0	0	112.8	Y103 R107 R115	Y103-E111 PolarHBondContact OH-OE1 3.33Å; R107-E111 VanDerWaalsContact CG-CD 3.42Å; R107-E111 HydrophobicContact CG-CG 3.99Å; R107-E111 WeakPolarHBondContact CG-OE1 3.31Å; R107-E111 WeakPolarHBondContact O-CB 3.01Å; R107-E111 PolarHBondContact O-N 2.81Å; E111-R115 WeakPolarHBondContact O-CD 3.4Å
112	G	93.1	Very high	93	Very high	35 Å²	35	60 Å²	60	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-115.2	176.3	0	0	0	0	0	112.6	A108 I109 I110 C114 R115	A108-G112 WeakPolarHBondContact O-CA 3.13Å; A108-G112 PolarHBondContact O-N 2.9Å; I109-G112 CarbonylContact O-C 3.19Å; I109-G112 PolarHBondContact O-N 3.07Å; I110-G112 VanDerWaalsContact C-N 3.34Å; G112-C114 PolarHBondContact O-N 3.19Å; G112-R115 VanDerWaalsContact O-CB 3.29Å; G112-R115 WeakPolarHBondContact O-CB 3.36Å; G112-R115 PolarHBondContact O-N 3.09Å; G112-R115 VanDerWaalsContact O-N 3.16Å
113	P	92.2	Very high	92.9	Very high	46 Å²	46	63.1 Å²	63.1	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-42.9	-172.5	23.5	-35.3	0	0	0	113.4	I109 R115 S116 E117	I109-P113 HydrophobicContact CD1-CG 4.27Å; I109-P113 HydrophobicContact CG2-CG 3.92Å; I109-P113 WeakPolarHBondContact O-CD 3.39Å; P113-R115 PolarHBondContact O-N 3.36Å; P113-S116 PolarHBondContact O-N 3.45Å; P113-S116 PolarHBondContact O-OG 3.39Å; P113-E117 WeakPolarHBondContact O-CG 3.37Å
114	C	94.3	Very high	92.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.5	-20.2	-176.9	-70.5	0	0	0	0	113.7	I109 G112 S116 E117 V118 M124 C127	I109-C114 WeakPolarHBondContact O-CB 3.43Å; I109-C114 PolarHBondContact O-N 3.34Å; I109-C114 VanDerWaalsContact O-N 3.09Å; G112-C114 PolarHBondContact O-N 3.19Å; C114-S116 VanDerWaalsContact C-N 3.25Å; C114-S116 PolarHBondContact O-N 3.04Å; C114-E117 PolarHBondContact O-N 3.19Å; C114-V118 HydrophobicContact CB-CG2 4.34Å; C114-V118 VanDerWaalsContact O-CB 3.32Å; C114-V118 WeakPolarHBondContact O-CB 3.46Å; C114-V118 WeakPolarHBondContact O-CG2 3.33Å; C114-V118 PolarHBondContact O-N 3.33Å; C114-V118 VanDerWaalsContact O-N 3.14Å; C114-M124 HydrophobicContact CB-CE 4.5Å; C114-M124 HydrophobicContact CB-SD 3.69Å; C114-C127 WeakPolarHBondContact CA-SG 3.34Å; C114-C127 HydrophobicContact CB-CB 3.89Å; C114-C127 WeakPolarHBondContact CB-SG 3.03Å; C114-C127 VanDerWaalsContact SG-C 3.57Å; C114-C127 WeakPolarHBondContact SG-CB 3.47Å; C114-C127 CovalentContact SG-SG 2.03Å; C114-C127 PolarHBondContact SG-SG 3.07Å
115	R	93.4	Very high	92.8	Very high	195 Å²	195	57.9 Å²	57.9	74%	0.736	32%	0.316	S	S	*	.	H	α-helix	trans	-60.3	-35.9	179.9	-174.1	177.7	177.3	172.8	0.7	112.7	I110 E111 G112 P113	I110-R115 PolarHBondContact O-N 3.42Å; E111-R115 WeakPolarHBondContact O-CD 3.4Å; G112-R115 VanDerWaalsContact O-CB 3.29Å; G112-R115 WeakPolarHBondContact O-CB 3.36Å; G112-R115 PolarHBondContact O-N 3.09Å; G112-R115 VanDerWaalsContact O-N 3.16Å; P113-R115 PolarHBondContact O-N 3.36Å
116	S	90	Very high	92.6	Very high	107 Å²	107	56.8 Å²	56.8	75%	0.748	31%	0.312	S	S	*	.	H	α-helix	trans	-93.8	-20.2	179.6	45	0	0	0	0	114	P113 C114	P113-S116 PolarHBondContact O-N 3.45Å; P113-S116 PolarHBondContact O-OG 3.39Å; C114-S116 VanDerWaalsContact C-N 3.25Å; C114-S116 PolarHBondContact O-N 3.04Å
117	E	89.4	Confident	92.5	Very high	121 Å²	121	57.3 Å²	57.3	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-88.2	-22.6	-175.9	-67.1	-177.2	-173.5	0	0	113	P113 C114	P113-E117 WeakPolarHBondContact O-CG 3.37Å; C114-E117 PolarHBondContact O-N 3.19Å
118	V	91	Very high	92.5	Very high	27 Å²	27	52 Å²	52	16%	0.164	30%	0.296	C	S	.	.			trans	-102.4	131.8	-173.1	170.7	0	0	0	0	111.2	C114 S120 Q123 M124 C127	C114-V118 HydrophobicContact CB-CG2 4.34Å; C114-V118 VanDerWaalsContact O-CB 3.32Å; C114-V118 WeakPolarHBondContact O-CB 3.46Å; C114-V118 WeakPolarHBondContact O-CG2 3.33Å; C114-V118 PolarHBondContact O-N 3.33Å; C114-V118 VanDerWaalsContact O-N 3.14Å; V118-S120 WeakPolarHBondContact CG1-O 3.5Å; V118-Q123 HydrophobicContact CG1-CB 3.86Å; V118-Q123 HydrophobicContact CG2-CB 4.36Å; V118-M124 HydrophobicContact CB-CE 4.23Å; V118-M124 HydrophobicContact CG1-CE 4.09Å; V118-M124 HydrophobicContact CG2-CE 4.35Å; V118-M124 HydrophobicContact CG2-SD 4.33Å; V118-C127 HydrophobicContact CG2-CB 3.5Å
119	S	89.8	Confident	92.3	Very high	107 Å²	107	48.8 Å²	48.8	75%	0.748	27%	0.269	S	S	*	.	S	Bend	trans	-100.2	-16.5	177.8	65.9	0	0	0	0	114.2	Q123	S119-Q123 PolarHBondContact OG-OE1 2.99Å
120	S	90.1	Very high	92	Very high	37 Å²	37	51.3 Å²	51.3	26%	0.259	29%	0.287	S	S	.	.	S	Bend	trans	-148.1	155.9	-178.2	64.2	0	0	0	0	111.8	V118 T122 Q123	V118-S120 WeakPolarHBondContact CG1-O 3.5Å; S120-T122 PolarHBondContact O-N 3.41Å; S120-T122 VanDerWaalsContact O-N 3.12Å; S120-T122 PolarHBondContact OG-OG1 3.15Å; S120-Q123 PolarHBondContact O-N 3.47Å; S120-Q123 VanDerWaalsContact O-N 3.09Å
121	E	90.4	Very high	91.7	Very high	90 Å²	90	52.5 Å²	52.5	42%	0.421	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-55.9	-32.3	177.8	-70.4	77.1	-174.6	0	0	112.8	Y96 Q123 M124	Y96-E121 HydrophobicContact CD1-CB 4.43Å; Y96-E121 HydrophobicContact CE1-CB 4.38Å; Y96-E121 HydrophobicContact CE1-CG 4.32Å; E121-Q123 VanDerWaalsContact C-N 3.27Å; E121-Q123 PolarHBondContact O-N 3.05Å; E121-M124 WeakPolarHBondContact O-CB 3.45Å; E121-M124 PolarHBondContact O-N 3Å
122	T	90	Very high	91.3	Very high	37 Å²	37	48.1 Å²	48.1	23%	0.227	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.1	-27	-179.6	61.2	0	0	0	0	113.7	R94 S120 Q161	R94-T122 HydrophobicContact CG-CG2 4.43Å; S120-T122 PolarHBondContact O-N 3.41Å; S120-T122 VanDerWaalsContact O-N 3.12Å; S120-T122 PolarHBondContact OG-OG1 3.15Å; T122-Q161 PolarHBondContact O-NE2 3.02Å
123	Q	91.9	Very high	90.2	Very high	66 Å²	66	49.8 Å²	49.8	31%	0.308	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-87.4	-11.1	-177.8	-72.1	172.3	-17.1	0	0	112.9	V118 S119 S120 E121 L125 S126 C127	V118-Q123 HydrophobicContact CG1-CB 3.86Å; V118-Q123 HydrophobicContact CG2-CB 4.36Å; S119-Q123 PolarHBondContact OG-OE1 2.99Å; S120-Q123 PolarHBondContact O-N 3.47Å; S120-Q123 VanDerWaalsContact O-N 3.09Å; E121-Q123 VanDerWaalsContact C-N 3.27Å; E121-Q123 PolarHBondContact O-N 3.05Å; Q123-L125 PolarHBondContact O-N 3.42Å; Q123-S126 PolarHBondContact O-N 2.97Å; Q123-C127 PolarHBondContact O-N 2.97Å
124	M	94.8	Very high	89.6	Confident	10 Å²	10	49 Å²	49	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-45.1	-172.8	-173.2	61.2	67.2	0	0	112.5	Y96 I110 C114 V118 E121 S126 C127 L128	Y96-M124 HydrophobicContact CD1-CB 3.39Å; Y96-M124 HydrophobicContact CD1-CG 3.58Å; Y96-M124 HydrophobicContact CD2-CG 3.93Å; Y96-M124 HydrophobicContact CE1-CB 3.59Å; Y96-M124 HydrophobicContact CE1-CE 4.01Å; Y96-M124 HydrophobicContact CE1-CG 3.58Å; Y96-M124 HydrophobicContact CE2-CG 3.92Å; Y96-M124 HydrophobicContact CG-CB 3.96Å; Y96-M124 HydrophobicContact CG-CG 3.77Å; I110-M124 HydrophobicContact CB-SD 4.44Å; I110-M124 HydrophobicContact CG1-SD 4.19Å; I110-M124 HydrophobicContact CG2-CE 4.11Å; I110-M124 HydrophobicContact CG2-SD 4.18Å; C114-M124 HydrophobicContact CB-CE 4.5Å; C114-M124 HydrophobicContact CB-SD 3.69Å; V118-M124 HydrophobicContact CB-CE 4.23Å; V118-M124 HydrophobicContact CG1-CE 4.09Å; V118-M124 HydrophobicContact CG2-CE 4.35Å; V118-M124 HydrophobicContact CG2-SD 4.33Å; E121-M124 WeakPolarHBondContact O-CB 3.45Å; E121-M124 PolarHBondContact O-N 3Å; M124-S126 VanDerWaalsContact C-N 3.29Å; M124-S126 PolarHBondContact O-N 3.17Å; M124-C127 WeakPolarHBondContact O-CB 3.5Å; M124-C127 PolarHBondContact O-N 3.4Å; M124-C127 VanDerWaalsContact O-N 3.16Å; M124-L128 HydrophobicContact CG-CD1 4.34Å; M124-L128 HydrophobicContact CG-CG 4.48Å; M124-L128 WeakPolarHBondContact O-CG 3.33Å; M124-L128 PolarHBondContact O-N 3.2Å
125	L	93.5	Very high	88.9	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-38	179.1	-65.2	-173.2	0	0	0	112	I92 L102 Q123 L128 M129 L145 V148 L152	I92-L125 HydrophobicContact CG2-CD1 4.4Å; L102-L125 HydrophobicContact CD2-CD2 3.69Å; Q123-L125 PolarHBondContact O-N 3.42Å; L125-L128 HydrophobicContact CD2-CD1 4.35Å; L125-L128 PolarHBondContact O-N 2.04Å; L125-M129 WeakPolarHBondContact O-CB 3.37Å; L125-M129 VanDerWaalsContact O-CG 3.28Å; L125-M129 WeakPolarHBondContact O-CG 3.33Å; L125-M129 PolarHBondContact O-N 2.77Å; L125-L145 HydrophobicContact CD2-CD1 4.25Å; L125-V148 HydrophobicContact CD1-CG1 4.33Å; L125-L152 HydrophobicContact CD1-CD1 3.94Å
126	S	92.2	Very high	88.5	Confident	23 Å²	23	51.5 Å²	51.5	16%	0.161	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-39.1	175.6	-66.5	0	0	0	0	112.2	Q123 M124 M129 S130 R226 E230	Q123-S126 PolarHBondContact O-N 2.97Å; M124-S126 VanDerWaalsContact C-N 3.29Å; M124-S126 PolarHBondContact O-N 3.17Å; S126-M129 PolarHBondContact O-N 2.98Å; S126-S130 PolarHBondContact O-N 3.36Å; S126-S130 VanDerWaalsContact O-N 3.1Å; S126-R226 WeakPolarHBondContact OG-CD 3.49Å; S126-R226 PolarHBondContact OG-NH1 3.2Å; S126-E230 WeakPolarHBondContact CA-OE1 3.46Å; S126-E230 VanDerWaalsContact CB-OE1 3.22Å; S126-E230 WeakPolarHBondContact CB-OE1 3.32Å; S126-E230 PolarHBondContact OG-OE1 3.19Å
127	C	93.8	Very high	88.4	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.074	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-49.7	173.3	-176.2	0	0	0	0	111.1	C114 V118 Q123 M124 M129 S130 H131	C114-C127 WeakPolarHBondContact CA-SG 3.34Å; C114-C127 HydrophobicContact CB-CB 3.89Å; C114-C127 WeakPolarHBondContact CB-SG 3.03Å; C114-C127 VanDerWaalsContact SG-C 3.57Å; C114-C127 WeakPolarHBondContact SG-CB 3.47Å; C114-C127 CovalentContact SG-SG 2.03Å; C114-C127 PolarHBondContact SG-SG 3.07Å; V118-C127 HydrophobicContact CG2-CB 3.5Å; Q123-C127 PolarHBondContact O-N 2.97Å; M124-C127 WeakPolarHBondContact O-CB 3.5Å; M124-C127 PolarHBondContact O-N 3.4Å; M124-C127 VanDerWaalsContact O-N 3.16Å; C127-M129 VanDerWaalsContact C-N 3.26Å; C127-M129 PolarHBondContact O-N 3.17Å; C127-S130 WeakPolarHBondContact O-CB 3.41Å; C127-S130 PolarHBondContact O-N 2.87Å; C127-S130 PolarHBondContact O-OG 3.33Å; C127-H131 PolarHBondContact O-CD2 3.07Å
128	L	94.1	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.9	-41.4	176.2	-66.4	175.4	0	0	0	112	C106 I109 I110 M124 L125 S130 H131 L132 L145	C106-L128 HydrophobicContact CB-CD1 4.28Å; C106-L128 HydrophobicContact CB-CD2 4.16Å; I109-L128 HydrophobicContact CB-CD2 3.86Å; I109-L128 HydrophobicContact CG2-CD2 3.61Å; I110-L128 HydrophobicContact CD1-CD1 4.42Å; I110-L128 HydrophobicContact CG1-CD1 4.23Å; I110-L128 HydrophobicContact CG1-CD2 3.86Å; I110-L128 HydrophobicContact CG1-CG 4.48Å; M124-L128 HydrophobicContact CG-CD1 4.34Å; M124-L128 HydrophobicContact CG-CG 4.48Å; M124-L128 WeakPolarHBondContact O-CG 3.33Å; M124-L128 PolarHBondContact O-N 3.2Å; L125-L128 HydrophobicContact CD2-CD1 4.35Å; L125-L128 PolarHBondContact O-N 2.04Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 3.44Å; L128-H131 WeakPolarHBondContact O-CB 3.49Å; L128-H131 PolarHBondContact O-N 3.45Å; L128-L132 PolarHBondContact O-N 3.11Å; L128-L145 HydrophobicContact CB-CD1 4.23Å; L128-L145 HydrophobicContact CB-CD2 3.69Å
129	M	91.1	Very high	88.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-32.1	176.9	-77.7	-62.8	-81.5	0	0	113.4	L125 S126 C127 H131 L132 L145 Q149 E230 I233 L237	L125-M129 WeakPolarHBondContact O-CB 3.37Å; L125-M129 VanDerWaalsContact O-CG 3.28Å; L125-M129 WeakPolarHBondContact O-CG 3.33Å; L125-M129 PolarHBondContact O-N 2.77Å; S126-M129 PolarHBondContact O-N 2.98Å; C127-M129 VanDerWaalsContact C-N 3.26Å; C127-M129 PolarHBondContact O-N 3.17Å; M129-H131 PolarHBondContact O-N 2.68Å; M129-L132 HydrophobicContact CE-CD2 4.31Å; M129-L132 WeakPolarHBondContact O-CB 3.31Å; M129-L132 PolarHBondContact O-N 3.08Å; M129-L132 HydrophobicContact SD-CD1 4.35Å; M129-L132 HydrophobicContact SD-CD2 4.23Å; M129-L145 HydrophobicContact CG-CD1 4.22Å; M129-L145 HydrophobicContact CG-CD2 4.05Å; M129-L145 HydrophobicContact CG-CG 4.25Å; M129-L145 HydrophobicContact SD-CD1 4.16Å; M129-L145 HydrophobicContact SD-CD2 3.61Å; M129-L145 HydrophobicContact SD-CG 3.61Å; M129-Q149 HydrophobicContact CE-CB 4.47Å; M129-Q149 HydrophobicContact CE-CG 4.01Å; M129-Q149 HydrophobicContact CG-CG 4.15Å; M129-Q149 HydrophobicContact SD-CG 3.64Å; M129-E230 HydrophobicContact CB-CG 4.18Å; M129-E230 HydrophobicContact CE-CB 4.13Å; M129-I233 HydrophobicContact CE-CD1 3.88Å; M129-I233 WeakPolarHBondContact O-CD1 3.38Å; M129-L237 HydrophobicContact CE-CD1 3.56Å
130	S	88.1	Confident	88.7	Confident	58 Å²	58	48.7 Å²	48.7	41%	0.406	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-21.5	175.5	81.4	0	0	0	0	112.8	S126 C127 L128	S126-S130 PolarHBondContact O-N 3.36Å; S126-S130 VanDerWaalsContact O-N 3.1Å; C127-S130 WeakPolarHBondContact O-CB 3.41Å; C127-S130 PolarHBondContact O-N 2.87Å; C127-S130 PolarHBondContact O-OG 3.33Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 3.44Å
131	H	88.7	Confident	89	Confident	30 Å²	30	46.9 Å²	46.9	14%	0.139	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.4	178.7	-73.3	-79.8	0	0	0	114.5	I109 C127 L128 M129 D133 T134	I109-H131 HydrophobicContact CG2-CB 4.23Å; C127-H131 PolarHBondContact O-CD2 3.07Å; L128-H131 WeakPolarHBondContact O-CB 3.49Å; L128-H131 PolarHBondContact O-N 3.45Å; M129-H131 PolarHBondContact O-N 2.68Å; H131-D133 PolarHBondContact O-N 3.18Å; H131-T134 HydrophobicContact CB-CG2 4.36Å; H131-T134 WeakPolarHBondContact CB-OG1 3.34Å; H131-T134 PolarHBondContact ND1-OG1 3.37Å; H131-T134 WeakPolarHBondContact O-CB 3.37Å; H131-T134 PolarHBondContact O-N 3.1Å; H131-T134 PolarHBondContact O-OG1 3.15Å
132	L	85.3	Confident	89	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.7	-170.8	-160.3	71.2	0	0	0	115.7	L128 M129 L137 E142 L145 L146 I233 V259	L128-L132 PolarHBondContact O-N 3.11Å; M129-L132 HydrophobicContact CE-CD2 4.31Å; M129-L132 WeakPolarHBondContact O-CB 3.31Å; M129-L132 PolarHBondContact O-N 3.08Å; M129-L132 HydrophobicContact SD-CD1 4.35Å; M129-L132 HydrophobicContact SD-CD2 4.23Å; L132-L137 HydrophobicContact CD1-CD2 4.02Å; L132-E142 HydrophobicContact CD1-CB 4.45Å; L132-E142 HydrophobicContact CD1-CG 3.72Å; L132-E142 HydrophobicContact CG-CG 4.19Å; L132-L145 HydrophobicContact CD1-CB 4.42Å; L132-L145 HydrophobicContact CD1-CD2 3.77Å; L132-L145 HydrophobicContact CD1-CG 4.3Å; L132-L146 HydrophobicContact CD1-CG 4.38Å; L132-L146 HydrophobicContact CD2-CD2 3.8Å; L132-L146 HydrophobicContact CD2-CG 4.4Å; L132-I233 HydrophobicContact CB-CG2 4.26Å; L132-I233 HydrophobicContact CD2-CB 4.3Å; L132-I233 HydrophobicContact CD2-CG2 3.39Å; L132-I233 HydrophobicContact CG-CG2 4.32Å; L132-V259 HydrophobicContact CD2-CG1 4.21Å
133	D	70.6	Confident	89.1	Confident	71 Å²	71	45.5 Å²	45.5	38%	0.38	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	14.6	-179.5	64.7	-3.5	0	0	0	112.9	H131 K300	H131-D133 PolarHBondContact O-N 3.18Å; D133-K300 VanDerWaalsContact CG-CD 3.49Å; D133-K300 WeakPolarHBondContact OD1-CD 3.2Å; D133-K300 WeakPolarHBondContact OD1-CE 3.43Å; D133-K300 IonicContact OD1-NZ 3.83Å; D133-K300 PolarHBondContact OD1-NZ 2.99Å; D133-K300 WeakPolarHBondContact OD2-CD 3.42Å; D133-K300 WeakPolarHBondContact OD2-CE 3.47Å; D133-K300 IonicContact OD2-NZ 3.61Å; D133-K300 PolarHBondContact OD2-NZ 3.49Å
134	T	79.6	Confident	89.2	Confident	30 Å²	30	44.5 Å²	44.5	18%	0.184	24%	0.237	C	C	.	.	S	Bend	trans	-85.6	136.2	178.1	66.1	0	0	0	0	108.8	H131 E136 L137	H131-T134 HydrophobicContact CB-CG2 4.36Å; H131-T134 WeakPolarHBondContact CB-OG1 3.34Å; H131-T134 PolarHBondContact ND1-OG1 3.37Å; H131-T134 WeakPolarHBondContact O-CB 3.37Å; H131-T134 PolarHBondContact O-N 3.1Å; H131-T134 PolarHBondContact O-OG1 3.15Å; T134-E136 VanDerWaalsContact CB-OE2 3.23Å; T134-E136 WeakPolarHBondContact CB-OE2 3.35Å; T134-E136 PolarHBondContact O-N 3.39Å; T134-L137 WeakPolarHBondContact O-CB 3.23Å; T134-L137 PolarHBondContact O-N 3.07Å
135	P	80	Confident	89.2	Confident	123 Å²	123	44 Å²	44	80%	0.799	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.4	-178.3	26.6	-34.7	0	0	0	113	L137	P135-L137 VanDerWaalsContact C-N 3.33Å
136	E	84.1	Confident	89.1	Confident	124 Å²	124	43.9 Å²	43.9	58%	0.579	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.2	175.1	-60.3	77.6	-165.3	0	0	113.7	I109 T134 P138	I109-E136 HydrophobicContact CD1-CB 4.14Å; T134-E136 VanDerWaalsContact CB-OE2 3.23Å; T134-E136 WeakPolarHBondContact CB-OE2 3.35Å; T134-E136 PolarHBondContact O-N 3.39Å; E136-P138 WeakPolarHBondContact O-CD 3.3Å
137	L	88.7	Confident	89.1	Confident	15 Å²	15	42.9 Å²	42.9	8%	0.079	23%	0.226	C	C	.	.	S	Bend	trans	-79.9	123.1	-179.6	-168.3	72.6	0	0	0	110.8	I109 L132 T134 P135 C141 E142	I109-L137 HydrophobicContact CB-CD1 4.44Å; I109-L137 HydrophobicContact CG1-CD1 3.6Å; L132-L137 HydrophobicContact CD1-CD2 4.02Å; T134-L137 WeakPolarHBondContact O-CB 3.23Å; T134-L137 PolarHBondContact O-N 3.07Å; P135-L137 VanDerWaalsContact C-N 3.33Å; L137-C141 HydrophobicContact CD1-CB 3.97Å; L137-C141 WeakPolarHBondContact CD1-SG 3.37Å; L137-C141 HydrophobicContact CG-CB 4.23Å; L137-E142 HydrophobicContact CD2-CB 3.93Å; L137-E142 HydrophobicContact CD2-CG 4.34Å
138	P	92.4	Very high	89.1	Confident	40 Å²	40	42.3 Å²	42.3	26%	0.26	22%	0.223	S	C	.	.			trans	-62.4	142.2	173.3	-22	33.9	0	0	0	111.9	E136 E140 C141 E142	E136-P138 WeakPolarHBondContact O-CD 3.3Å; P138-E140 PolarHBondContact O-N 2.88Å; P138-C141 HydrophobicContact CB-CB 4.23Å; P138-C141 HydrophobicContact CG-CB 4.42Å; P138-C141 WeakPolarHBondContact O-CA 3.22Å; P138-C141 WeakPolarHBondContact O-CB 3.27Å; P138-C141 PolarHBondContact O-N 3.27Å; P138-E142 PolarHBondContact O-N 3.45Å
139	E	90.8	Very high	89.1	Confident	140 Å²	140	42.8 Å²	42.8	65%	0.654	23%	0.225	S	C	*	.	H	α-helix	trans	-57.7	-36.3	177.8	-171	-172.3	158.4	0	0	111.3	E142 N143	E139-E142 PolarHBondContact O-N 2.8Å; E139-N143 PolarHBondContact O-N 2.98Å; E139-N143 PolarHBondContact O-ND2 2.95Å
140	E	93.1	Very high	89.1	Confident	107 Å²	107	43.6 Å²	43.6	50%	0.5	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-45.7	174.7	-62.7	80.2	-177.1	0	0	111.2	D105 P138 E142 N143 R144	D105-E140 HydrophobicContact CB-CB 4.09Å; P138-E140 PolarHBondContact O-N 2.88Å; E140-E142 PolarHBondContact O-N 3Å; E140-N143 PolarHBondContact O-N 3.22Å; E140-R144 WeakPolarHBondContact O-CG 3.46Å; E140-R144 PolarHBondContact O-N 3.23Å
141	C	95	Very high	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-43.6	176.4	177.7	0	0	0	0	111.8	D105 C106 L137 P138 N143 R144 L145	D105-C141 WeakPolarHBondContact O-CB 3.4Å; C106-C141 WeakPolarHBondContact CA-SG 3.36Å; C106-C141 HydrophobicContact CB-CB 3.95Å; C106-C141 WeakPolarHBondContact CB-SG 3.48Å; C106-C141 WeakPolarHBondContact SG-CA 3.47Å; C106-C141 WeakPolarHBondContact SG-CB 3.36Å; C106-C141 CovalentContact SG-SG 2.02Å; C106-C141 PolarHBondContact SG-SG 3.02Å; L137-C141 HydrophobicContact CD1-CB 3.97Å; L137-C141 WeakPolarHBondContact CD1-SG 3.37Å; L137-C141 HydrophobicContact CG-CB 4.23Å; P138-C141 HydrophobicContact CB-CB 4.23Å; P138-C141 HydrophobicContact CG-CB 4.42Å; P138-C141 WeakPolarHBondContact O-CA 3.22Å; P138-C141 WeakPolarHBondContact O-CB 3.27Å; P138-C141 PolarHBondContact O-N 3.27Å; C141-N143 VanDerWaalsContact C-N 3.32Å; C141-N143 PolarHBondContact O-N 3.33Å; C141-R144 PolarHBondContact O-N 3.32Å; C141-L145 VanDerWaalsContact O-CB 3.24Å; C141-L145 WeakPolarHBondContact O-CB 3.05Å; C141-L145 PolarHBondContact O-N 2.86Å
142	E	92	Very high	89.4	Confident	53 Å²	53	40.1 Å²	40.1	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-55.5	-48.9	175.9	-170.3	-169	143	0	0	110.8	L132 L137 P138 E139 E140 L145 L146 V259	L132-E142 HydrophobicContact CD1-CB 4.45Å; L132-E142 HydrophobicContact CD1-CG 3.72Å; L132-E142 HydrophobicContact CG-CG 4.19Å; L137-E142 HydrophobicContact CD2-CB 3.93Å; L137-E142 HydrophobicContact CD2-CG 4.34Å; P138-E142 PolarHBondContact O-N 3.45Å; E139-E142 PolarHBondContact O-N 2.8Å; E140-E142 PolarHBondContact O-N 3Å; E142-L145 PolarHBondContact O-N 3.46Å; E142-L146 HydrophobicContact CG-CD1 4.21Å; E142-L146 WeakPolarHBondContact O-CB 3.49Å; E142-L146 WeakPolarHBondContact O-CG 3.01Å; E142-L146 PolarHBondContact O-N 3.31Å; E142-V259 WeakPolarHBondContact OE1-CG2 3.09Å
143	N	91.6	Very high	89.6	Confident	44 Å²	44	40.1 Å²	40.1	24%	0.235	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-48.6	178.1	-75.5	-58.6	0	0	0	112.2	E139 E140 C141 L145 L146 E147	E139-N143 PolarHBondContact O-N 2.98Å; E139-N143 PolarHBondContact O-ND2 2.95Å; E140-N143 PolarHBondContact O-N 3.22Å; C141-N143 VanDerWaalsContact C-N 3.32Å; C141-N143 PolarHBondContact O-N 3.33Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 2.81Å; N143-L146 PolarHBondContact O-N 3.22Å; N143-E147 WeakPolarHBondContact O-CB 3.28Å; N143-E147 WeakPolarHBondContact O-CG 3.17Å; N143-E147 PolarHBondContact O-N 3.21Å
144	R	93.9	Very high	90.3	Very high	45 Å²	45	38.5 Å²	38.5	17%	0.17	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-39.7	178.6	-61.1	-56	152.6	-134.7	-8.9	112.3	H62 V101 L102 D105 E140 C141 E147 V148	H62-R144 VanDerWaalsContact ND1-CD 3.34Å; H62-R144 WeakPolarHBondContact ND1-CD 3.49Å; V101-R144 HydrophobicContact CG1-CG 4.27Å; L102-R144 HydrophobicContact CB-CB 4.43Å; L102-R144 HydrophobicContact CD1-CB 3.6Å; D105-R144 HydrophobicContact CB-CG 4.04Å; D105-R144 WeakPolarHBondContact OD2-CG 3.27Å; D105-R144 IonicContact OD2-NE 3.17Å; D105-R144 PolarHBondContact OD2-NE 3.42Å; D105-R144 VanDerWaalsContact OD2-NE 3.15Å; E140-R144 WeakPolarHBondContact O-CG 3.46Å; E140-R144 PolarHBondContact O-N 3.23Å; C141-R144 PolarHBondContact O-N 3.32Å; R144-E147 WeakPolarHBondContact CD-OE2 3.37Å; R144-E147 IonicContact CZ-OE1 3.66Å; R144-E147 IonicContact CZ-OE2 2.84Å; R144-E147 IonicContact NH1-OE1 3.97Å; R144-E147 PolarHBondContact NH1-OE1 3.18Å; R144-E147 IonicContact NH1-OE2 2.77Å; R144-E147 PolarHBondContact NH1-OE2 3.18Å; R144-E147 WeakPolarHBondContact O-CB 3.35Å; R144-E147 PolarHBondContact O-N 3.22Å; R144-V148 PolarHBondContact O-N 3.03Å; R144-V148 VanDerWaalsContact O-N 3.12Å
145	L	93.8	Very high	90.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-45.1	179.5	-174.5	58.2	0	0	0	110.9	L102 L125 L128 M129 L132 C141 E142 N143 E147 V148 Q149	L102-L145 HydrophobicContact CD1-CB 4.31Å; L125-L145 HydrophobicContact CD2-CD1 4.25Å; L128-L145 HydrophobicContact CB-CD1 4.23Å; L128-L145 HydrophobicContact CB-CD2 3.69Å; M129-L145 HydrophobicContact CG-CD1 4.22Å; M129-L145 HydrophobicContact CG-CD2 4.05Å; M129-L145 HydrophobicContact CG-CG 4.25Å; M129-L145 HydrophobicContact SD-CD1 4.16Å; M129-L145 HydrophobicContact SD-CD2 3.61Å; M129-L145 HydrophobicContact SD-CG 3.61Å; L132-L145 HydrophobicContact CD1-CB 4.42Å; L132-L145 HydrophobicContact CD1-CD2 3.77Å; L132-L145 HydrophobicContact CD1-CG 4.3Å; C141-L145 VanDerWaalsContact O-CB 3.24Å; C141-L145 WeakPolarHBondContact O-CB 3.05Å; C141-L145 PolarHBondContact O-N 2.86Å; E142-L145 PolarHBondContact O-N 3.46Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 2.81Å; L145-E147 VanDerWaalsContact C-N 3.32Å; L145-E147 PolarHBondContact O-N 3.25Å; L145-V148 PolarHBondContact O-N 3.11Å; L145-Q149 HydrophobicContact CD1-CG 4.06Å; L145-Q149 HydrophobicContact CG-CG 4.26Å; L145-Q149 VanDerWaalsContact O-CB 3.24Å; L145-Q149 WeakPolarHBondContact O-CB 3.43Å; L145-Q149 WeakPolarHBondContact O-CG 3.39Å; L145-Q149 PolarHBondContact O-N 3.23Å
146	L	91.8	Very high	90.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-40.2	174.4	-73.9	176	0	0	0	111.9	Q69 L132 E142 N143 Q149 Y150 L237 V259	Q69-L146 PolarHBondContact NE2-O 2.83Å; L132-L146 HydrophobicContact CD1-CG 4.38Å; L132-L146 HydrophobicContact CD2-CD2 3.8Å; L132-L146 HydrophobicContact CD2-CG 4.4Å; E142-L146 HydrophobicContact CG-CD1 4.21Å; E142-L146 WeakPolarHBondContact O-CB 3.49Å; E142-L146 WeakPolarHBondContact O-CG 3.01Å; E142-L146 PolarHBondContact O-N 3.31Å; N143-L146 PolarHBondContact O-N 3.22Å; L146-Q149 PolarHBondContact O-N 3.21Å; L146-Y150 WeakPolarHBondContact O-CB 2.8Å; L146-Y150 PolarHBondContact O-N 3.34Å; L146-L237 HydrophobicContact CD2-CD1 4.03Å; L146-L237 HydrophobicContact CD2-CD2 4.29Å; L146-L237 HydrophobicContact CD2-CG 4.26Å; L146-V259 HydrophobicContact CD1-CG2 4.36Å
147	E	93.3	Very high	90.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-51.9	-55	172.7	-77	163.5	-168.9	0	0	112	H62 M65 K66 N143 R144 L145 F151	H62-E147 WeakPolarHBondContact CB-OE2 2.83Å; H62-E147 IonicContact CE1-OE2 3.42Å; H62-E147 IonicContact CG-OE2 2.64Å; H62-E147 IonicContact ND1-OE2 3.26Å; H62-E147 PolarHBondContact ND1-OE2 2.68Å; M65-E147 HydrophobicContact CB-CB 4.12Å; M65-E147 HydrophobicContact CB-CG 4.24Å; M65-E147 VanDerWaalsContact CE-C 3.45Å; M65-E147 HydrophobicContact CE-CB 4.05Å; M65-E147 WeakPolarHBondContact CE-O 3.06Å; K66-E147 HydrophobicContact CB-CG 4.45Å; N143-E147 WeakPolarHBondContact O-CB 3.28Å; N143-E147 WeakPolarHBondContact O-CG 3.17Å; N143-E147 PolarHBondContact O-N 3.21Å; R144-E147 WeakPolarHBondContact CD-OE2 3.37Å; R144-E147 IonicContact CZ-OE1 3.66Å; R144-E147 IonicContact CZ-OE2 2.84Å; R144-E147 IonicContact NH1-OE1 3.97Å; R144-E147 PolarHBondContact NH1-OE1 3.18Å; R144-E147 IonicContact NH1-OE2 2.77Å; R144-E147 PolarHBondContact NH1-OE2 3.18Å; R144-E147 WeakPolarHBondContact O-CB 3.35Å; R144-E147 PolarHBondContact O-N 3.22Å; L145-E147 VanDerWaalsContact C-N 3.32Å; L145-E147 PolarHBondContact O-N 3.25Å; E147-F151 WeakPolarHBondContact O-CD2 3.42Å
148	V	93.8	Very high	90.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-47	178.1	175	0	0	0	0	111.1	M65 I92 L102 L125 R144 L145 Y150 F151 L152	M65-V148 HydrophobicContact CE-CG2 4.06Å; I92-V148 HydrophobicContact CB-CG1 4.35Å; I92-V148 HydrophobicContact CD1-CG1 4.25Å; I92-V148 HydrophobicContact CD1-CG2 4.01Å; I92-V148 HydrophobicContact CG2-CG1 4.09Å; L102-V148 HydrophobicContact CD2-CG2 4.47Å; L125-V148 HydrophobicContact CD1-CG1 4.33Å; R144-V148 PolarHBondContact O-N 3.03Å; R144-V148 VanDerWaalsContact O-N 3.12Å; L145-V148 PolarHBondContact O-N 3.11Å; V148-Y150 VanDerWaalsContact C-N 3.27Å; V148-Y150 PolarHBondContact O-N 3.27Å; V148-F151 PolarHBondContact O-N 2.67Å; V148-F151 VanDerWaalsContact O-N 3.17Å; V148-L152 HydrophobicContact CG1-CD1 4.06Å; V148-L152 HydrophobicContact CG1-CG 4.28Å; V148-L152 PolarHBondContact O-N 3.2Å
149	Q	93.3	Very high	90.7	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-27.4	-174.6	-70.9	-72.5	-9.9	0	0	113.3	M129 L145 L146 F151 L152 A153 L237	M129-Q149 HydrophobicContact CE-CB 4.47Å; M129-Q149 HydrophobicContact CE-CG 4.01Å; M129-Q149 HydrophobicContact CG-CG 4.15Å; M129-Q149 HydrophobicContact SD-CG 3.64Å; L145-Q149 HydrophobicContact CD1-CG 4.06Å; L145-Q149 HydrophobicContact CG-CG 4.26Å; L145-Q149 VanDerWaalsContact O-CB 3.24Å; L145-Q149 WeakPolarHBondContact O-CB 3.43Å; L145-Q149 WeakPolarHBondContact O-CG 3.39Å; L145-Q149 PolarHBondContact O-N 3.23Å; L146-Q149 PolarHBondContact O-N 3.21Å; Q149-F151 VanDerWaalsContact C-N 3.26Å; Q149-F151 PolarHBondContact O-N 2.95Å; Q149-L152 PolarHBondContact O-N 3.21Å; Q149-A153 WeakPolarHBondContact O-CB 3.4Å; Q149-A153 PolarHBondContact O-N 3.39Å; Q149-L237 HydrophobicContact CB-CD1 4.28Å; Q149-L237 HydrophobicContact CB-CD2 3.75Å
150	Y	91.5	Very high	90.7	Very high	19 Å²	19	20 Å²	20	8%	0.075	10%	0.096	C	C	.	.	H	α-helix	trans	-58.3	-38.9	174.8	177.1	-81.6	0	0	0	112.8	V68 Q69 L146 V148 R154	V68-Y150 HydrophobicContact CG1-CD1 4.1Å; V68-Y150 HydrophobicContact CG1-CE1 3.4Å; V68-Y150 VanDerWaalsContact CG1-CE1 3.4Å; Q69-Y150 HydrophobicContact CB-CD2 4.33Å; Q69-Y150 HydrophobicContact CB-CE2 4.4Å; Q69-Y150 HydrophobicContact CG-CD1 4.42Å; Q69-Y150 HydrophobicContact CG-CD2 3.63Å; Q69-Y150 HydrophobicContact CG-CE2 4.08Å; Q69-Y150 HydrophobicContact CG-CG 3.8Å; L146-Y150 WeakPolarHBondContact O-CB 2.8Å; L146-Y150 PolarHBondContact O-N 3.34Å; V148-Y150 VanDerWaalsContact C-N 3.27Å; V148-Y150 PolarHBondContact O-N 3.27Å; Y150-R154 VanDerWaalsContact CE2-NH2 3.27Å; Y150-R154 VanDerWaalsContact CZ-NE 3.34Å; Y150-R154 PolarHBondContact O-NH1 2.89Å; Y150-R154 VanDerWaalsContact O-NH1 3.11Å; Y150-R154 PolarHBondContact OH-NE 3.42Å
151	F	91.3	Very high	90.7	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.018	8%	0.079	C	C	.	.	H	α-helix	trans	-76.7	-44.7	177.4	-68.7	-90.9	0	0	0	111.1	M65 V68 Y80 V83 A84 V87 E147 V148 Q149 A153 R154 D155 L158	M65-F151 HydrophobicContact CB-CE2 3.92Å; M65-F151 HydrophobicContact CE-CD2 3.86Å; M65-F151 HydrophobicContact CE-CE2 3.88Å; M65-F151 HydrophobicContact CG-CE2 3.63Å; M65-F151 HydrophobicContact CG-CZ 4.13Å; V68-F151 HydrophobicContact CB-CZ 4.24Å; V68-F151 HydrophobicContact CG1-CZ 4.03Å; V68-F151 HydrophobicContact CG2-CZ 4.13Å; Y80-F151 HydrophobicContact CE2-CE1 4.17Å; V83-F151 HydrophobicContact CG1-CE1 4.13Å; V83-F151 HydrophobicContact CG1-CE2 4.48Å; V83-F151 HydrophobicContact CG1-CZ 3.66Å; A84-F151 HydrophobicContact CB-CD1 4.26Å; A84-F151 HydrophobicContact CB-CE1 4.14Å; V87-F151 HydrophobicContact CG1-CB 3.97Å; V87-F151 HydrophobicContact CG1-CG 4.26Å; V87-F151 HydrophobicContact CG2-CD1 4.46Å; V87-F151 HydrophobicContact CG2-CD2 4.23Å; V87-F151 HydrophobicContact CG2-CE2 4.44Å; V87-F151 HydrophobicContact CG2-CG 4.26Å; E147-F151 WeakPolarHBondContact O-CD2 3.42Å; V148-F151 PolarHBondContact O-N 2.67Å; V148-F151 VanDerWaalsContact O-N 3.17Å; Q149-F151 VanDerWaalsContact C-N 3.26Å; Q149-F151 PolarHBondContact O-N 2.95Å; F151-A153 PolarHBondContact O-N 2.98Å; F151-R154 PolarHBondContact O-N 2.75Å; F151-D155 PolarHBondContact O-N 2.04Å; F151-D155 VanDerWaalsContact O-N 3.12Å; F151-L158 HydrophobicContact CB-CD1 4.08Å
152	L	90.9	Very high	90.6	Very high	10 Å²	10	16.4 Å²	16.4	5%	0.052	8%	0.079	C	C	.	.	H	α-helix	trans	-58.1	-32.7	174.7	-57.6	-173.8	0	0	0	112	L125 V148 Q149 R154 L158 R231	L125-L152 HydrophobicContact CD1-CD1 3.94Å; V148-L152 HydrophobicContact CG1-CD1 4.06Å; V148-L152 HydrophobicContact CG1-CG 4.28Å; V148-L152 PolarHBondContact O-N 3.2Å; Q149-L152 PolarHBondContact O-N 3.21Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 3.43Å; L152-L158 HydrophobicContact CD2-CB 3.44Å; L152-L158 VanDerWaalsContact CD2-CB 3.44Å; L152-L158 WeakPolarHBondContact CD2-O 3.28Å; L152-R231 PolarHBondContact O-NH2 3.39Å
153	A	89.4	Confident	90.6	Very high	3 Å²	3	16.2 Å²	16.2	3%	0.025	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.6	176.7	0	0	0	0	0	114	Q149 F151 R231 L237 P239	Q149-A153 WeakPolarHBondContact O-CB 3.4Å; Q149-A153 PolarHBondContact O-N 3.39Å; F151-A153 PolarHBondContact O-N 2.98Å; A153-R231 VanDerWaalsContact CA-CZ 3.46Å; A153-R231 VanDerWaalsContact CA-NH2 3.3Å; A153-R231 HydrophobicContact CB-CG 4.26Å; A153-R231 PolarHBondContact O-NH1 3.17Å; A153-R231 PolarHBondContact O-NH2 3.49Å; A153-L237 HydrophobicContact CB-CB 4.39Å; A153-L237 WeakPolarHBondContact CB-O 3.46Å; A153-P239 WeakPolarHBondContact O-CG 3.14Å
154	R	86.5	Confident	90.6	Very high	36 Å²	36	18.8 Å²	18.8	14%	0.136	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-33.9	-176.6	-76.2	170.8	173	69.4	3.4	113.2	Y150 F151 L152 R236 P239	Y150-R154 VanDerWaalsContact CE2-NH2 3.27Å; Y150-R154 VanDerWaalsContact CZ-NE 3.34Å; Y150-R154 PolarHBondContact O-NH1 2.89Å; Y150-R154 VanDerWaalsContact O-NH1 3.11Å; Y150-R154 PolarHBondContact OH-NE 3.42Å; F151-R154 PolarHBondContact O-N 2.75Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 3.43Å; R154-R236 PolarHBondContact NH1-O 2.84Å; R154-P239 HydrophobicContact CG-CB 4.35Å; R154-P239 HydrophobicContact CG-CG 3.68Å
155	D	84.2	Confident	90.6	Very high	31 Å²	31	17.7 Å²	17.7	17%	0.166	9%	0.09	C	C	.	.			trans	-117.3	107.8	177.9	-179.2	-5	0	0	0	110.2	F151 T157 L158	F151-D155 PolarHBondContact O-N 2.04Å; F151-D155 VanDerWaalsContact O-N 3.12Å; D155-T157 PolarHBondContact O-N 2.77Å; D155-T157 VanDerWaalsContact O-N 3.09Å; D155-T157 WeakPolarHBondContact OD1-CA 3.28Å; D155-T157 VanDerWaalsContact OD1-CB 3.32Å; D155-T157 WeakPolarHBondContact OD1-CB 3.43Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.5Å; D155-T157 PolarHBondContact OD1-N 2.04Å; D155-T157 PolarHBondContact OD1-OG1 2.96Å; D155-T157 PolarHBondContact OD2-OG1 3.2Å; D155-T157 VanDerWaalsContact OD2-OG1 3.06Å; D155-L158 HydrophobicContact CB-CD1 3.8Å; D155-L158 HydrophobicContact CB-CG 3.78Å; D155-L158 WeakPolarHBondContact O-CB 3.41Å; D155-L158 PolarHBondContact O-N 3Å
156	F	85.5	Confident	90.6	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-52.6	-28.2	176.1	162	-80.5	0	0	0	112.9	L158 L162 Y163 C166 W180 L200 L203	F156-L158 PolarHBondContact O-N 3.39Å; F156-L162 HydrophobicContact CD2-CD2 3.3Å; F156-L162 HydrophobicContact CD2-CG 3.72Å; F156-L162 HydrophobicContact CE2-CD1 4.14Å; F156-L162 HydrophobicContact CE2-CD2 3.64Å; F156-L162 HydrophobicContact CE2-CG 3.48Å; F156-L162 VanDerWaalsContact CE2-CG 3.48Å; F156-L162 HydrophobicContact CG-CD2 4.2Å; F156-L162 HydrophobicContact CZ-CG 4.36Å; F156-Y163 HydrophobicContact CD1-CD2 4.04Å; F156-Y163 AromaticContact CE1-CD2 3.58Å; F156-Y163 HydrophobicContact CE1-CD2 3.58Å; F156-Y163 HydrophobicContact CE1-CE2 4.32Å; F156-Y163 HydrophobicContact CE1-CG 4.4Å; F156-C166 HydrophobicContact CE2-CB 3.79Å; F156-C166 HydrophobicContact CZ-CB 3.63Å; F156-W180 HydrophobicContact CB-CH2 4.12Å; F156-W180 AromaticContact CD1-CH2 3.58Å; F156-W180 HydrophobicContact CD1-CH2 3.58Å; F156-W180 AromaticContact CD1-CZ2 3.31Å; F156-W180 HydrophobicContact CD1-CZ2 3.31Å; F156-W180 HydrophobicContact CE1-CH2 4.41Å; F156-W180 AromaticContact CE1-CZ2 3.7Å; F156-W180 HydrophobicContact CE1-CZ2 3.7Å; F156-W180 HydrophobicContact CG-CH2 4.21Å; F156-W180 HydrophobicContact CG-CZ2 4.28Å; F156-L200 HydrophobicContact CD2-CD1 3.82Å; F156-L203 HydrophobicContact CD2-CD1 4.07Å; F156-L203 HydrophobicContact CE2-CD1 3.36Å; F156-L203 HydrophobicContact CZ-CD1 3.94Å
157	T	84.6	Confident	90.6	Very high	21 Å²	21	19 Å²	19	13%	0.129	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-75.3	-11.9	-179.1	72.2	0	0	0	0	113.8	K88 D155 Y163 W180 A181	K88-T157 PolarHBondContact NZ-OG1 2.56Å; D155-T157 PolarHBondContact O-N 2.77Å; D155-T157 VanDerWaalsContact O-N 3.09Å; D155-T157 WeakPolarHBondContact OD1-CA 3.28Å; D155-T157 VanDerWaalsContact OD1-CB 3.32Å; D155-T157 WeakPolarHBondContact OD1-CB 3.43Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.5Å; D155-T157 PolarHBondContact OD1-N 2.04Å; D155-T157 PolarHBondContact OD1-OG1 2.96Å; D155-T157 PolarHBondContact OD2-OG1 3.2Å; D155-T157 VanDerWaalsContact OD2-OG1 3.06Å; T157-Y163 HydrophobicContact CG2-CD2 4.12Å; T157-Y163 HydrophobicContact CG2-CE2 4.09Å; T157-W180 HydrophobicContact CG2-CD2 4.21Å; T157-W180 HydrophobicContact CG2-CE3 4.06Å; T157-W180 HydrophobicContact CG2-CH2 3.43Å; T157-W180 VanDerWaalsContact CG2-CH2 3.43Å; T157-W180 HydrophobicContact CG2-CZ2 3.64Å; T157-W180 HydrophobicContact CG2-CZ3 3.64Å; T157-A181 HydrophobicContact CG2-CB 3.79Å
158	L	88.3	Confident	90.6	Very high	16 Å²	16	24.2 Å²	24.2	8%	0.084	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-87.1	-22.1	-179.8	-58	-178.4	0	0	0	113.5	V87 K88 S93 F151 L152 D155 F156 S160	V87-L158 HydrophobicContact CG1-CD1 4.5Å; K88-L158 HydrophobicContact CB-CD2 3.57Å; K88-L158 HydrophobicContact CD-CD2 4.02Å; K88-L158 HydrophobicContact CG-CD2 3.59Å; S93-L158 WeakPolarHBondContact CB-O 3.48Å; F151-L158 HydrophobicContact CB-CD1 4.08Å; L152-L158 HydrophobicContact CD2-CB 3.44Å; L152-L158 VanDerWaalsContact CD2-CB 3.44Å; L152-L158 WeakPolarHBondContact CD2-O 3.28Å; D155-L158 HydrophobicContact CB-CD1 3.8Å; D155-L158 HydrophobicContact CB-CG 3.78Å; D155-L158 WeakPolarHBondContact O-CB 3.41Å; D155-L158 PolarHBondContact O-N 3Å; F156-L158 PolarHBondContact O-N 3.39Å; L158-S160 PolarHBondContact O-N 3.46Å
159	D	90.8	Very high	90.5	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	13%	0.127	C	C	.	.			trans	-85.6	103	171.3	-176.1	-37.8	0	0	0	108.6	Q161 L162 Y163 R226 V227	D159-Q161 VanDerWaalsContact C-N 3.31Å; D159-Q161 PolarHBondContact O-N 3.06Å; D159-Q161 PolarHBondContact OD1-N 3.25Å; D159-L162 HydrophobicContact CB-CB 3.85Å; D159-L162 PolarHBondContact O-N 3.44Å; D159-L162 PolarHBondContact OD1-N 3.03Å; D159-Y163 WeakPolarHBondContact O-CB 3.42Å; D159-Y163 PolarHBondContact O-N 3.49Å; D159-R226 VanDerWaalsContact CG-NH2 3.32Å; D159-R226 IonicContact OD1-NH2 3.17Å; D159-R226 PolarHBondContact OD1-NH2 3.28Å; D159-R226 IonicContact OD2-CZ 3.73Å; D159-R226 IonicContact OD2-NH1 2.85Å; D159-R226 PolarHBondContact OD2-NH1 3.32Å; D159-R226 IonicContact OD2-NH2 2.91Å; D159-R226 PolarHBondContact OD2-NH2 3.15Å; D159-V227 VanDerWaalsContact OD2-CG2 3.3Å; D159-V227 WeakPolarHBondContact OD2-CG2 3.49Å
160	S	90.4	Very high	90.4	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.063	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-39.5	-176.2	-89.8	0	0	0	0	112.3	D91 S93 R94 L158 D164	D91-S160 PolarHBondContact OD1-OG 2.57Å; S93-S160 PolarHBondContact OG-N 3.06Å; R94-S160 PolarHBondContact NE-OG 3.08Å; R94-S160 PolarHBondContact NH2-OG 2.97Å; L158-S160 PolarHBondContact O-N 3.46Å; S160-D164 VanDerWaalsContact O-CB 3.25Å; S160-D164 WeakPolarHBondContact O-CB 3.48Å; S160-D164 PolarHBondContact O-N 3.34Å
161	Q	92.4	Very high	90.4	Very high	29 Å²	29	25.5 Å²	25.5	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-68.7	-44.4	-178.6	-62.4	-177	103.7	0	0	110.6	T122 D159 A165 E223	T122-Q161 PolarHBondContact O-NE2 3.02Å; D159-Q161 VanDerWaalsContact C-N 3.31Å; D159-Q161 PolarHBondContact O-N 3.06Å; D159-Q161 PolarHBondContact OD1-N 3.25Å; Q161-A165 VanDerWaalsContact O-CB 3.28Å; Q161-A165 WeakPolarHBondContact O-CB 3.31Å; Q161-A165 PolarHBondContact O-N 3.47Å; Q161-A165 VanDerWaalsContact O-N 3.08Å; Q161-E223 VanDerWaalsContact CB-OE2 3.28Å; Q161-E223 WeakPolarHBondContact CB-OE2 3.33Å
162	L	93	Very high	90.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-48.2	177	-177.7	68.4	0	0	0	111.3	F156 D159 A165 C166 L200 E223 V224 V227	F156-L162 HydrophobicContact CD2-CD2 3.3Å; F156-L162 HydrophobicContact CD2-CG 3.72Å; F156-L162 HydrophobicContact CE2-CD1 4.14Å; F156-L162 HydrophobicContact CE2-CD2 3.64Å; F156-L162 HydrophobicContact CE2-CG 3.48Å; F156-L162 VanDerWaalsContact CE2-CG 3.48Å; F156-L162 HydrophobicContact CG-CD2 4.2Å; F156-L162 HydrophobicContact CZ-CG 4.36Å; D159-L162 HydrophobicContact CB-CB 3.85Å; D159-L162 PolarHBondContact O-N 3.44Å; D159-L162 PolarHBondContact OD1-N 3.03Å; L162-A165 PolarHBondContact O-N 3.39Å; L162-C166 WeakPolarHBondContact O-CB 3.42Å; L162-C166 PolarHBondContact O-N 3.17Å; L162-L200 HydrophobicContact CD2-CD1 3.81Å; L162-E223 HydrophobicContact CD1-CB 3.87Å; L162-V224 HydrophobicContact CD1-CG2 3.95Å; L162-V227 HydrophobicContact CB-CG2 4.21Å; L162-V227 HydrophobicContact CD1-CG2 4.29Å; L162-V227 HydrophobicContact CD2-CB 4.46Å; L162-V227 HydrophobicContact CD2-CG1 4.36Å; L162-V227 HydrophobicContact CD2-CG2 4.08Å; L162-V227 HydrophobicContact CG-CG2 4.41Å
163	Y	91.4	Very high	90.3	Very high	49 Å²	49	35.4 Å²	35.4	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-50.4	180	-177.1	-94.3	0	0	0	111.3	F156 T157 D159 A165 C166 H167 A181	F156-Y163 HydrophobicContact CD1-CD2 4.04Å; F156-Y163 AromaticContact CE1-CD2 3.58Å; F156-Y163 HydrophobicContact CE1-CD2 3.58Å; F156-Y163 HydrophobicContact CE1-CE2 4.32Å; F156-Y163 HydrophobicContact CE1-CG 4.4Å; T157-Y163 HydrophobicContact CG2-CD2 4.12Å; T157-Y163 HydrophobicContact CG2-CE2 4.09Å; D159-Y163 WeakPolarHBondContact O-CB 3.42Å; D159-Y163 PolarHBondContact O-N 3.49Å; Y163-A165 VanDerWaalsContact C-N 3.29Å; Y163-A165 PolarHBondContact O-N 3.41Å; Y163-C166 PolarHBondContact O-N 3.19Å; Y163-H167 HydrophobicContact CE1-CB 4.47Å; Y163-H167 AromaticContact CE2-ND1 3.64Å; Y163-H167 AromaticContact CZ-ND1 3.41Å; Y163-H167 VanDerWaalsContact O-CB 3.24Å; Y163-H167 WeakPolarHBondContact O-CB 3.37Å; Y163-H167 PolarHBondContact O-N 3.07Å; Y163-H167 PolarHBondContact OH-CE1 3.01Å; Y163-H167 PolarHBondContact OH-ND1 3.22Å; Y163-A181 HydrophobicContact CE2-CB 3.62Å; Y163-A181 VanDerWaalsContact OH-CB 3.28Å; Y163-A181 WeakPolarHBondContact OH-CB 3.43Å
164	D	91.8	Very high	90.3	Very high	98 Å²	98	36.2 Å²	36.2	52%	0.524	19%	0.185	S	C	.	.	H	α-helix	trans	-63.1	-35.7	-178	-70.8	-16.1	0	0	0	111.7	R94 S160	R94-D164 IonicContact CZ-OD2 3.61Å; R94-D164 IonicContact NH1-OD2 2.9Å; R94-D164 IonicContact NH2-OD1 3.41Å; R94-D164 IonicContact NH2-OD2 3.55Å; R94-D164 PolarHBondContact NH2-OD2 3.45Å; S160-D164 VanDerWaalsContact O-CB 3.25Å; S160-D164 WeakPolarHBondContact O-CB 3.48Å; S160-D164 PolarHBondContact O-N 3.34Å
165	A	94.3	Very high	90.3	Very high	22 Å²	22	40 Å²	40	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-77.4	-36.1	178	0	0	0	0	0	113.5	Q161 L162 Y163 K219 C220 E223	Q161-A165 VanDerWaalsContact O-CB 3.28Å; Q161-A165 WeakPolarHBondContact O-CB 3.31Å; Q161-A165 PolarHBondContact O-N 3.47Å; Q161-A165 VanDerWaalsContact O-N 3.08Å; L162-A165 PolarHBondContact O-N 3.39Å; Y163-A165 VanDerWaalsContact C-N 3.29Å; Y163-A165 PolarHBondContact O-N 3.41Å; A165-K219 HydrophobicContact CB-CB 4.27Å; A165-C220 WeakPolarHBondContact O-CB 3.49Å; A165-E223 HydrophobicContact CB-CB 4.09Å; A165-E223 HydrophobicContact CB-CG 3.59Å
166	C	94.4	Very high	90.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-108.7	-8.6	-167.2	-72.3	0	0	0	0	115.6	F156 L162 Y163 N168 D169 A170 L203 C220	F156-C166 HydrophobicContact CE2-CB 3.79Å; F156-C166 HydrophobicContact CZ-CB 3.63Å; L162-C166 WeakPolarHBondContact O-CB 3.42Å; L162-C166 PolarHBondContact O-N 3.17Å; Y163-C166 PolarHBondContact O-N 3.19Å; C166-N168 VanDerWaalsContact C-N 3.32Å; C166-N168 PolarHBondContact O-N 3.28Å; C166-D169 PolarHBondContact O-N 3.08Å; C166-D169 VanDerWaalsContact O-N 3.12Å; C166-A170 WeakPolarHBondContact O-CB 3.37Å; C166-A170 PolarHBondContact O-N 2.78Å; C166-L203 HydrophobicContact CB-CD1 3.88Å; C166-C220 WeakPolarHBondContact CA-SG 3.45Å; C166-C220 HydrophobicContact CB-CB 3.96Å; C166-C220 WeakPolarHBondContact CB-SG 3.43Å; C166-C220 WeakPolarHBondContact SG-CA 3.29Å; C166-C220 WeakPolarHBondContact SG-CB 3.41Å; C166-C220 PolarHBondContact SG-O 2.79Å; C166-C220 VanDerWaalsContact SG-O 3.41Å; C166-C220 CovalentContact SG-SG 2.03Å; C166-C220 PolarHBondContact SG-SG 3.27Å
167	H	91.8	Very high	90	Very high	31 Å²	31	45 Å²	45	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-51.2	-49.6	-176.4	178.8	76	0	0	0	112.8	Y163 D169 A170 V171 E178	Y163-H167 HydrophobicContact CE1-CB 4.47Å; Y163-H167 AromaticContact CE2-ND1 3.64Å; Y163-H167 AromaticContact CZ-ND1 3.41Å; Y163-H167 VanDerWaalsContact O-CB 3.24Å; Y163-H167 WeakPolarHBondContact O-CB 3.37Å; Y163-H167 PolarHBondContact O-N 3.07Å; Y163-H167 PolarHBondContact OH-CE1 3.01Å; Y163-H167 PolarHBondContact OH-ND1 3.22Å; H167-D169 PolarHBondContact O-N 3.15Å; H167-A170 WeakPolarHBondContact O-CB 3.5Å; H167-A170 PolarHBondContact O-N 3.29Å; H167-V171 WeakPolarHBondContact O-CG2 3.49Å; H167-V171 PolarHBondContact O-N 2.84Å; H167-E178 PolarHBondContact CE1-O 3.23Å; H167-E178 PolarHBondContact NE2-O 2.94Å
168	N	92.2	Very high	89.7	Confident	112 Å²	112	51.2 Å²	51.2	60%	0.599	27%	0.27	S	S	*	.	H	α-helix	trans	-64.3	-42.7	-179.8	-69.1	-23.9	0	0	0	112.2	C166 A170 V171 Q172	C166-N168 VanDerWaalsContact C-N 3.32Å; C166-N168 PolarHBondContact O-N 3.28Å; N168-A170 VanDerWaalsContact C-N 3.32Å; N168-A170 PolarHBondContact O-N 2.66Å; N168-V171 PolarHBondContact O-N 3.04Å; N168-Q172 WeakPolarHBondContact O-CB 3.31Å; N168-Q172 VanDerWaalsContact O-CG 3.31Å; N168-Q172 WeakPolarHBondContact O-CG 3.45Å; N168-Q172 PolarHBondContact O-N 3.15Å
169	D	93.2	Very high	89	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.053	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-37.8	177	-78.8	-49.6	0	0	0	111.4	C166 H167 Q172 K173 L203 L216 S217 C220	C166-D169 PolarHBondContact O-N 3.08Å; C166-D169 VanDerWaalsContact O-N 3.12Å; H167-D169 PolarHBondContact O-N 3.15Å; D169-Q172 PolarHBondContact O-N 2.75Å; D169-K173 WeakPolarHBondContact O-CA 3.02Å; D169-K173 VanDerWaalsContact O-CB 3.29Å; D169-K173 WeakPolarHBondContact O-CB 3.43Å; D169-K173 PolarHBondContact O-N 3.47Å; D169-K173 WeakPolarHBondContact OD1-CE 3.34Å; D169-K173 IonicContact OD1-NZ 3.66Å; D169-L203 HydrophobicContact CB-CD2 4.16Å; D169-L216 HydrophobicContact CB-CD2 4.02Å; D169-S217 PolarHBondContact OD1-N 3.36Å; D169-S217 WeakPolarHBondContact OD2-CB 3.37Å; D169-S217 PolarHBondContact OD2-N 2.96Å; D169-S217 PolarHBondContact OD2-OG 3.26Å; D169-C220 HydrophobicContact CB-CB 4.42Å; D169-C220 WeakPolarHBondContact OD2-CB 3.37Å
170	A	91.2	Very high	88	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-43.9	176.1	0	0	0	0	0	111.8	C166 H167 N168 C174 S175 A176 V199 L203	C166-A170 WeakPolarHBondContact O-CB 3.37Å; C166-A170 PolarHBondContact O-N 2.78Å; H167-A170 WeakPolarHBondContact O-CB 3.5Å; H167-A170 PolarHBondContact O-N 3.29Å; N168-A170 VanDerWaalsContact C-N 3.32Å; N168-A170 PolarHBondContact O-N 2.66Å; A170-C174 CarbonylContact O-C 3.58Å; A170-C174 VanDerWaalsContact O-C 3.25Å; A170-C174 VanDerWaalsContact O-CA 3.31Å; A170-C174 WeakPolarHBondContact O-CA 3.49Å; A170-C174 VanDerWaalsContact O-CB 3.31Å; A170-C174 WeakPolarHBondContact O-CB 3.46Å; A170-C174 PolarHBondContact O-N 3.43Å; A170-C174 VanDerWaalsContact O-N 3.08Å; A170-S175 PolarHBondContact O-N 2.84Å; A170-A176 HydrophobicContact CB-CB 3.95Å; A170-A176 WeakPolarHBondContact O-CB 3.05Å; A170-A176 PolarHBondContact O-N 2.98Å; A170-V199 HydrophobicContact CB-CG1 3.57Å; A170-L203 HydrophobicContact CB-CD1 4.39Å; A170-L203 HydrophobicContact CB-CD2 4.46Å
171	V	90.1	Very high	86.8	Confident	45 Å²	45	55.1 Å²	55.1	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-66.7	-48	176.7	175.2	0	0	0	0	110.8	H167 N168 A176	H167-V171 WeakPolarHBondContact O-CG2 3.49Å; H167-V171 PolarHBondContact O-N 2.84Å; N168-V171 PolarHBondContact O-N 3.04Å; V171-A176 HydrophobicContact CG2-CB 4.38Å
172	Q	90.7	Very high	85.3	Confident	152 Å²	152	60.4 Å²	60.4	71%	0.71	32%	0.316	S	S	*	.	H	α-helix	trans	-75.3	-35.8	-173	-70.8	-178.3	-3.5	0	0	114.1	N168 D169	N168-Q172 WeakPolarHBondContact O-CB 3.31Å; N168-Q172 VanDerWaalsContact O-CG 3.31Å; N168-Q172 WeakPolarHBondContact O-CG 3.45Å; N168-Q172 PolarHBondContact O-N 3.15Å; D169-Q172 PolarHBondContact O-N 2.75Å
173	K	90.3	Very high	83.4	Confident	71 Å²	71	65.5 Å²	65.5	31%	0.309	34%	0.34	S	S	.	.	H	α-helix	trans	-113.5	-23.4	-168.7	-52.9	-174	-171.6	-168.3	0	113.3	D169 Q215 L216	D169-K173 WeakPolarHBondContact O-CA 3.02Å; D169-K173 VanDerWaalsContact O-CB 3.29Å; D169-K173 WeakPolarHBondContact O-CB 3.43Å; D169-K173 PolarHBondContact O-N 3.47Å; D169-K173 WeakPolarHBondContact OD1-CE 3.34Å; D169-K173 IonicContact OD1-NZ 3.66Å; K173-Q215 PolarHBondContact NZ-O 3.48Å; K173-L216 HydrophobicContact CD-CD2 4.19Å
174	C	89	Confident	81.3	Confident	20 Å²	20	65.4 Å²	65.4	14%	0.135	35%	0.354	C	S	.	.	H	α-helix	trans	-116.6	10.3	-177.8	-62.6	0	0	0	0	113.6	A170 A176 C202	A170-C174 CarbonylContact O-C 3.58Å; A170-C174 VanDerWaalsContact O-C 3.25Å; A170-C174 VanDerWaalsContact O-CA 3.31Å; A170-C174 WeakPolarHBondContact O-CA 3.49Å; A170-C174 VanDerWaalsContact O-CB 3.31Å; A170-C174 WeakPolarHBondContact O-CB 3.46Å; A170-C174 PolarHBondContact O-N 3.43Å; A170-C174 VanDerWaalsContact O-N 3.08Å; C174-A176 PolarHBondContact O-N 2.91Å; C174-A176 VanDerWaalsContact O-N 3.15Å; C174-C202 WeakPolarHBondContact CA-SG 3.43Å; C174-C202 HydrophobicContact CB-CB 3.7Å; C174-C202 WeakPolarHBondContact CB-SG 3.26Å; C174-C202 WeakPolarHBondContact SG-CB 3.18Å; C174-C202 CovalentContact SG-SG 2.04Å; C174-C202 PolarHBondContact SG-SG 3.45Å
175	S	85.8	Confident	79	Confident	114 Å²	114	65.4 Å²	65.4	80%	0.797	37%	0.367	S	S	*	.			trans	54.6	30.6	178.3	-55	0	0	0	0	113.9	A170	A170-S175 PolarHBondContact O-N 2.84Å
176	A	84.4	Confident	76.2	Confident	11 Å²	11	75.1 Å²	75.1	9%	0.091	40%	0.399	C	S	.	.			trans	-65.5	142.8	172	0	0	0	0	0	110	A170 V171 C174 V199	A170-A176 HydrophobicContact CB-CB 3.95Å; A170-A176 WeakPolarHBondContact O-CB 3.05Å; A170-A176 PolarHBondContact O-N 2.98Å; V171-A176 HydrophobicContact CG2-CB 4.38Å; C174-A176 PolarHBondContact O-N 2.91Å; C174-A176 VanDerWaalsContact O-N 3.15Å; A176-V199 HydrophobicContact CB-CG2 3.77Å
177	M	80.4	Confident	73.3	Confident	127 Å²	127	81.3 Å²	81.3	63%	0.626	44%	0.442	S	S	*	.			trans	-69.5	137.3	172.9	-55.2	-179.8	178.4	0	0	109.4	N179 W180	M177-N179 PolarHBondContact O-N 3.2Å; M177-W180 HydrophobicContact CB-CB 4.13Å; M177-W180 WeakPolarHBondContact O-CB 3.4Å; M177-W180 PolarHBondContact O-N 3.09Å; M177-W180 VanDerWaalsContact O-N 3.14Å
178	E	77.4	Confident	70.7	Confident	151 Å²	151	83.7 Å²	83.7	71%	0.706	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.2	-175.9	-167.4	177.6	-178.8	0	0	113.8	H167	H167-E178 PolarHBondContact CE1-O 3.23Å; H167-E178 PolarHBondContact NE2-O 2.94Å
179	N	74.1	Confident	67.9	Low	71 Å²	71	83.3 Å²	83.3	38%	0.38	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	18.6	-178.2	65.6	-13.8	0	0	0	114.1	M177 A181 Q182 Q183	M177-N179 PolarHBondContact O-N 3.2Å; N179-A181 PolarHBondContact O-N 3.44Å; N179-Q182 WeakPolarHBondContact O-CB 3.17Å; N179-Q182 PolarHBondContact O-N 2.92Å; N179-Q183 PolarHBondContact O-N 3.03Å; N179-Q183 PolarHBondContact OD1-NE2 3.24Å
180	W	69.9	Low	65	Low	24 Å²	24	88.1 Å²	88.1	9%	0.091	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-56.4	-36.1	-175.7	72.1	-63.6	0	0	0	113.7	F156 T157 M177 Q182 Q183 P195 V199	F156-W180 HydrophobicContact CB-CH2 4.12Å; F156-W180 AromaticContact CD1-CH2 3.58Å; F156-W180 HydrophobicContact CD1-CH2 3.58Å; F156-W180 AromaticContact CD1-CZ2 3.31Å; F156-W180 HydrophobicContact CD1-CZ2 3.31Å; F156-W180 HydrophobicContact CE1-CH2 4.41Å; F156-W180 AromaticContact CE1-CZ2 3.7Å; F156-W180 HydrophobicContact CE1-CZ2 3.7Å; F156-W180 HydrophobicContact CG-CH2 4.21Å; F156-W180 HydrophobicContact CG-CZ2 4.28Å; T157-W180 HydrophobicContact CG2-CD2 4.21Å; T157-W180 HydrophobicContact CG2-CE3 4.06Å; T157-W180 HydrophobicContact CG2-CH2 3.43Å; T157-W180 VanDerWaalsContact CG2-CH2 3.43Å; T157-W180 HydrophobicContact CG2-CZ2 3.64Å; T157-W180 HydrophobicContact CG2-CZ3 3.64Å; M177-W180 HydrophobicContact CB-CB 4.13Å; M177-W180 WeakPolarHBondContact O-CB 3.4Å; M177-W180 PolarHBondContact O-N 3.09Å; M177-W180 VanDerWaalsContact O-N 3.14Å; W180-Q182 PolarHBondContact O-N 3.44Å; W180-Q183 PolarHBondContact O-N 3.01Å; W180-Q183 VanDerWaalsContact O-N 3.12Å; W180-P195 HydrophobicContact CE3-CB 3.92Å; W180-P195 HydrophobicContact CZ3-CB 4.22Å; W180-V199 HydrophobicContact CZ2-CG1 4.44Å
181	A	64.6	Low	62.2	Low	20 Å²	20	95.7 Å²	95.7	17%	0.165	56%	0.56	C	S	.	*	G	3₁₀ helix	trans	-64.5	-26.9	178.3	0	0	0	0	0	113.7	K88 T157 Y163 N179	K88-A181 PolarHBondContact NZ-O 3.4Å; T157-A181 HydrophobicContact CG2-CB 3.79Å; Y163-A181 HydrophobicContact CE2-CB 3.62Å; Y163-A181 VanDerWaalsContact OH-CB 3.28Å; Y163-A181 WeakPolarHBondContact OH-CB 3.43Å; N179-A181 PolarHBondContact O-N 3.44Å
182	Q	62.1	Low	59.8	Low	139 Å²	139	96 Å²	96	65%	0.65	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-83.1	-21.1	177.9	-61	177.1	-0.3	0	0	112.1	N179 W180 G184	N179-Q182 WeakPolarHBondContact O-CB 3.17Å; N179-Q182 PolarHBondContact O-N 2.92Å; W180-Q182 PolarHBondContact O-N 3.44Å; Q182-G184 PolarHBondContact O-N 3.02Å
183	Q	52.4	Low	57.4	Low	108 Å²	108	93.1 Å²	93.1	51%	0.505	57%	0.567	S	S	.	*			trans	-84.1	60.3	176	-62	-172.2	25.7	0	0	110.1	N179 W180 A185	N179-Q183 PolarHBondContact O-N 3.03Å; N179-Q183 PolarHBondContact OD1-NE2 3.24Å; W180-Q183 PolarHBondContact O-N 3.01Å; W180-Q183 VanDerWaalsContact O-N 3.12Å; Q183-A185 PolarHBondContact O-N 3.22Å; Q183-A185 VanDerWaalsContact O-N 3.07Å
184	G	47.7	Very low	55.8	Low	48 Å²	48	93.6 Å²	93.6	50%	0.495	57%	0.573	S	S	.	*			trans	-61.6	110.4	162.7	0	0	0	0	0	108.9	Q182 R186	Q182-G184 PolarHBondContact O-N 3.02Å; G184-R186 VanDerWaalsContact C-N 3.31Å; G184-R186 PolarHBondContact O-N 3.24Å
185	A	43.4	Very low	54.4	Low	97 Å²	97	96.1 Å²	96.1	80%	0.802	59%	0.589	S	S	*	*			trans	34.2	53	157.7	0	0	0	0	0	115.8	Q183 S187	Q183-A185 PolarHBondContact O-N 3.22Å; Q183-A185 VanDerWaalsContact O-N 3.07Å; A185-S187 PolarHBondContact O-N 3.1Å
186	R	35.3	Very low	53.5	Low	227 Å²	227	90.7 Å²	90.7	86%	0.857	55%	0.551	S	S	*	*			trans	-67.6	110.4	160.5	-79.7	-171	178.2	-174.6	0.5	106.7	G184 G188	G184-R186 VanDerWaalsContact C-N 3.31Å; G184-R186 PolarHBondContact O-N 3.24Å; R186-G188 PolarHBondContact O-N 3.02Å
187	S	34.4	Very low	52.9	Low	129 Å²	129	93.6 Å²	93.6	90%	0.902	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.9	103	172.4	-46.7	0	0	0	0	110.1	A185	A185-S187 PolarHBondContact O-N 3.1Å
188	G	35.9	Very low	52.8	Low	82 Å²	82	92.1 Å²	92.1	85%	0.845	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.8	15.2	173	0	0	0	0	0	119.4	R186	R186-G188 PolarHBondContact O-N 3.02Å
189	S	33.5	Very low	53.2	Low	103 Å²	103	85.3 Å²	85.3	72%	0.72	53%	0.525	S	S	*	.	S	Bend	trans	-133.8	146.5	171.2	-142.9	0	0	0	0	112.1
190	P	31.7	Very low	53.9	Low	111 Å²	111	82.2 Å²	82.2	72%	0.721	51%	0.509	S	S	*	.				-88.7	167.7	-104.4	11.5	9.1	0	0	0	111.7	G192	P190-G192 PolarHBondContact O-N 2.79Å
191	T	34.1	Very low	54.6	Low	159 Å²	159	85.6 Å²	85.6	98%	0.975	53%	0.528	S	S	*	.	S	Bend	trans	-48.2	63.4	169.6	49.4	0	0	0	0	114.9
192	G	38	Very low	55.8	Low	52 Å²	52	86.1 Å²	86.1	54%	0.536	53%	0.53	S	S	.	.			trans	-129.5	154	178.1	0	0	0	0	0	111.1	P190	P190-G192 PolarHBondContact O-N 2.79Å
193	P	42.1	Very low	57.2	Low	92 Å²	92	79.5 Å²	79.5	60%	0.597	50%	0.499	S	S	*	.			trans	-58.1	147.3	177.5	25.2	-35	0	0	0	111.1	P195 L198	P193-P195 WeakPolarHBondContact O-CD 3.45Å; P193-P195 VanDerWaalsContact O-N 3.17Å; P193-L198 HydrophobicContact CB-CD1 4.35Å; P193-L198 HydrophobicContact CG-CD1 3.76Å
194	D	54.8	Low	59	Low	81 Å²	81	75.7 Å²	75.7	43%	0.433	48%	0.48	S	S	.	.			trans	-50.9	119.9	176.2	-175	-18.5	0	0	0	109.9	G196 Q197	D194-G196 PolarHBondContact O-N 3.42Å; D194-G196 PolarHBondContact OD1-N 2.93Å; D194-Q197 PolarHBondContact O-N 3.41Å
195	P	60.7	Low	60.9	Low	73 Å²	73	82.8 Å²	82.8	47%	0.474	49%	0.492	S	S	.	.	H	α-helix	trans	-52	-31	179.4	-25	32.3	0	0	0	112.7	W180 P193 Q197 L198 V199	W180-P195 HydrophobicContact CE3-CB 3.92Å; W180-P195 HydrophobicContact CZ3-CB 4.22Å; P193-P195 WeakPolarHBondContact O-CD 3.45Å; P193-P195 VanDerWaalsContact O-N 3.17Å; P195-Q197 PolarHBondContact O-N 3.2Å; P195-L198 PolarHBondContact O-N 3.32Å; P195-V199 WeakPolarHBondContact O-CB 3.46Å; P195-V199 WeakPolarHBondContact O-CG2 3.18Å; P195-V199 PolarHBondContact O-N 3.01Å
196	G	67.3	Low	63.1	Low	0 Å²	0	79.7 Å²	79.7	0%	0	46%	0.461	C	S	.	.	H	α-helix	trans	-66.2	-39	-174.1	0	0	0	0	0	114.4	D194 L200	D194-G196 PolarHBondContact O-N 3.42Å; D194-G196 PolarHBondContact OD1-N 2.93Å; G196-L200 WeakPolarHBondContact O-CB 3.24Å; G196-L200 PolarHBondContact O-N 3.38Å
197	Q	71.5	Confident	65.7	Low	71 Å²	71	69 Å²	69	33%	0.332	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-42.4	178.8	-169.5	179.1	22.3	0	0	111.2	D194 P195 I201	D194-Q197 PolarHBondContact O-N 3.41Å; P195-Q197 PolarHBondContact O-N 3.2Å; Q197-I201 HydrophobicContact CG-CD1 4.22Å; Q197-I201 WeakPolarHBondContact O-CD1 2.96Å; Q197-I201 VanDerWaalsContact O-CG1 3.27Å; Q197-I201 WeakPolarHBondContact O-CG1 3.45Å; Q197-I201 PolarHBondContact O-N 3.21Å; Q197-I201 VanDerWaalsContact O-N 3.09Å
198	L	78.4	Confident	68.1	Low	97 Å²	97	63.6 Å²	63.6	51%	0.508	38%	0.381	S	S	.	.	H	α-helix	trans	-68.9	-42.4	179.1	-67.3	178.4	0	0	0	112.1	P193 P195 L200 I201 C202	P193-L198 HydrophobicContact CB-CD1 4.35Å; P193-L198 HydrophobicContact CG-CD1 3.76Å; P195-L198 PolarHBondContact O-N 3.32Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 2.87Å; L198-I201 PolarHBondContact O-N 3.39Å; L198-C202 WeakPolarHBondContact O-CB 3.46Å; L198-C202 PolarHBondContact O-N 2.02Å
199	V	86.3	Confident	70.2	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-59.4	-46.5	176.3	167	0	0	0	0	110.2	A170 A176 W180 P195 C202 L203	A170-V199 HydrophobicContact CB-CG1 3.57Å; A176-V199 HydrophobicContact CB-CG2 3.77Å; W180-V199 HydrophobicContact CZ2-CG1 4.44Å; P195-V199 WeakPolarHBondContact O-CB 3.46Å; P195-V199 WeakPolarHBondContact O-CG2 3.18Å; P195-V199 PolarHBondContact O-N 3.01Å; V199-C202 WeakPolarHBondContact O-CB 3.03Å; V199-C202 PolarHBondContact O-N 3.3Å; V199-L203 HydrophobicContact CG1-CD1 4.06Å; V199-L203 HydrophobicContact CG1-CG 4.35Å; V199-L203 WeakPolarHBondContact O-CG 3.38Å; V199-L203 PolarHBondContact O-N 3.22Å
200	L	87	Confident	71.9	Confident	6 Å²	6	61 Å²	61	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-43.6	-180	-173.9	74.6	0	0	0	112.5	F156 L162 G196 L198 C202 L203 Y204	F156-L200 HydrophobicContact CD2-CD1 3.82Å; L162-L200 HydrophobicContact CD2-CD1 3.81Å; G196-L200 WeakPolarHBondContact O-CB 3.24Å; G196-L200 PolarHBondContact O-N 3.38Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 2.87Å; L200-C202 PolarHBondContact O-N 3.23Å; L200-L203 PolarHBondContact O-N 3.14Å; L200-Y204 HydrophobicContact CD1-CD1 3.94Å; L200-Y204 HydrophobicContact CD1-CE1 3.28Å; L200-Y204 HydrophobicContact CD1-CE2 4.31Å; L200-Y204 HydrophobicContact CD2-CE1 4.2Å; L200-Y204 HydrophobicContact CD2-CE2 3.77Å; L200-Y204 WeakPolarHBondContact CD2-OH 3.35Å; L200-Y204 HydrophobicContact CG-CD1 4.01Å; L200-Y204 HydrophobicContact CG-CD2 4.2Å; L200-Y204 HydrophobicContact CG-CE1 3.56Å; L200-Y204 HydrophobicContact CG-CE2 3.68Å; L200-Y204 HydrophobicContact CG-CG 4.38Å; L200-Y204 VanDerWaalsContact CG-CZ 3.4Å; L200-Y204 WeakPolarHBondContact O-CB 3.21Å; L200-Y204 VanDerWaalsContact O-CD1 3.24Å; L200-Y204 WeakPolarHBondContact O-CD1 3.02Å; L200-Y204 PolarHBondContact O-N 3.33Å
201	I	85.4	Confident	73.8	Confident	95 Å²	95	58.5 Å²	58.5	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-39.6	175	-68.9	165.5	0	0	0	110.8	Q197 L198 Y204 R205	Q197-I201 HydrophobicContact CG-CD1 4.22Å; Q197-I201 WeakPolarHBondContact O-CD1 2.96Å; Q197-I201 VanDerWaalsContact O-CG1 3.27Å; Q197-I201 WeakPolarHBondContact O-CG1 3.45Å; Q197-I201 PolarHBondContact O-N 3.21Å; Q197-I201 VanDerWaalsContact O-N 3.09Å; L198-I201 PolarHBondContact O-N 3.39Å; I201-Y204 PolarHBondContact O-N 2.93Å; I201-R205 PolarHBondContact O-N 2.75Å
202	C	90.1	Very high	75.4	Confident	31 Å²	31	55.1 Å²	55.1	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-51.3	175	170.7	0	0	0	0	111.9	C174 L198 V199 L200 Y204 R205 H206	C174-C202 WeakPolarHBondContact CA-SG 3.43Å; C174-C202 HydrophobicContact CB-CB 3.7Å; C174-C202 WeakPolarHBondContact CB-SG 3.26Å; C174-C202 WeakPolarHBondContact SG-CB 3.18Å; C174-C202 CovalentContact SG-SG 2.04Å; C174-C202 PolarHBondContact SG-SG 3.45Å; L198-C202 WeakPolarHBondContact O-CB 3.46Å; L198-C202 PolarHBondContact O-N 2.02Å; V199-C202 WeakPolarHBondContact O-CB 3.03Å; V199-C202 PolarHBondContact O-N 3.3Å; L200-C202 PolarHBondContact O-N 3.23Å; C202-Y204 VanDerWaalsContact C-N 3.26Å; C202-Y204 PolarHBondContact O-N 3.21Å; C202-R205 WeakPolarHBondContact O-CB 3.47Å; C202-R205 PolarHBondContact O-N 3.3Å; C202-R205 VanDerWaalsContact O-N 3.09Å; C202-H206 PolarHBondContact O-CD2 2.86Å; C202-H206 PolarHBondContact O-N 2.67Å; C202-H206 VanDerWaalsContact SG-CD2 3.57Å
203	L	91.9	Very high	77	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-44	175.5	-69.1	175.1	0	0	0	110.8	F156 C166 D169 A170 V199 L200 R205 H206 A207 L216 V224	F156-L203 HydrophobicContact CD2-CD1 4.07Å; F156-L203 HydrophobicContact CE2-CD1 3.36Å; F156-L203 HydrophobicContact CZ-CD1 3.94Å; C166-L203 HydrophobicContact CB-CD1 3.88Å; D169-L203 HydrophobicContact CB-CD2 4.16Å; A170-L203 HydrophobicContact CB-CD1 4.39Å; A170-L203 HydrophobicContact CB-CD2 4.46Å; V199-L203 HydrophobicContact CG1-CD1 4.06Å; V199-L203 HydrophobicContact CG1-CG 4.35Å; V199-L203 WeakPolarHBondContact O-CG 3.38Å; V199-L203 PolarHBondContact O-N 3.22Å; L200-L203 PolarHBondContact O-N 3.14Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 3.17Å; L203-H206 PolarHBondContact O-N 2.92Å; L203-H206 VanDerWaalsContact O-N 3.12Å; L203-A207 PolarHBondContact O-N 3.1Å; L203-L216 HydrophobicContact CB-CD1 4.2Å; L203-L216 HydrophobicContact CD2-CD1 4.09Å; L203-L216 HydrophobicContact CD2-CD2 3.59Å; L203-L216 VanDerWaalsContact O-CD1 3.32Å; L203-L216 WeakPolarHBondContact O-CD1 3.48Å; L203-V224 HydrophobicContact CB-CG2 3.98Å
204	Y	89.4	Confident	78.7	Confident	29 Å²	29	61.6 Å²	61.6	11%	0.114	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-46.9	176.3	-71.1	-1.7	0	0	0	111.5	L200 I201 C202 H206 A207 Y208 V224 V227 M228 R231	L200-Y204 HydrophobicContact CD1-CD1 3.94Å; L200-Y204 HydrophobicContact CD1-CE1 3.28Å; L200-Y204 HydrophobicContact CD1-CE2 4.31Å; L200-Y204 HydrophobicContact CD2-CE1 4.2Å; L200-Y204 HydrophobicContact CD2-CE2 3.77Å; L200-Y204 WeakPolarHBondContact CD2-OH 3.35Å; L200-Y204 HydrophobicContact CG-CD1 4.01Å; L200-Y204 HydrophobicContact CG-CD2 4.2Å; L200-Y204 HydrophobicContact CG-CE1 3.56Å; L200-Y204 HydrophobicContact CG-CE2 3.68Å; L200-Y204 HydrophobicContact CG-CG 4.38Å; L200-Y204 VanDerWaalsContact CG-CZ 3.4Å; L200-Y204 WeakPolarHBondContact O-CB 3.21Å; L200-Y204 VanDerWaalsContact O-CD1 3.24Å; L200-Y204 WeakPolarHBondContact O-CD1 3.02Å; L200-Y204 PolarHBondContact O-N 3.33Å; I201-Y204 PolarHBondContact O-N 2.93Å; C202-Y204 VanDerWaalsContact C-N 3.26Å; C202-Y204 PolarHBondContact O-N 3.21Å; Y204-H206 VanDerWaalsContact C-N 3.33Å; Y204-H206 PolarHBondContact O-N 3.4Å; Y204-A207 PolarHBondContact O-N 2.88Å; Y204-Y208 VanDerWaalsContact O-CD2 3.31Å; Y204-Y208 WeakPolarHBondContact O-CD2 3.37Å; Y204-V224 HydrophobicContact CD1-CB 4.43Å; Y204-V224 HydrophobicContact CD1-CG1 3.39Å; Y204-V224 HydrophobicContact CD1-CG2 4.45Å; Y204-V224 HydrophobicContact CE1-CB 4.49Å; Y204-V224 HydrophobicContact CE1-CG1 3.77Å; Y204-V224 HydrophobicContact CG-CG1 4.46Å; Y204-V227 WeakPolarHBondContact OH-CG1 3.35Å; Y204-M228 HydrophobicContact CD1-CG 3.9Å; Y204-M228 HydrophobicContact CD1-SD 4.18Å; Y204-M228 HydrophobicContact CD2-CE 3.99Å; Y204-M228 HydrophobicContact CD2-CG 4.13Å; Y204-M228 HydrophobicContact CD2-SD 3.3Å; Y204-M228 WeakPolarHBondContact CD2-SD 3.19Å; Y204-M228 HydrophobicContact CE1-CG 3.53Å; Y204-M228 HydrophobicContact CE1-SD 3.88Å; Y204-M228 HydrophobicContact CE2-CE 4.24Å; Y204-M228 HydrophobicContact CE2-CG 3.86Å; Y204-M228 HydrophobicContact CE2-SD 3Å; Y204-M228 WeakPolarHBondContact CE2-SD 3.4Å; Y204-M228 HydrophobicContact CG-CE 4.4Å; Y204-M228 HydrophobicContact CG-CG 4.12Å; Y204-M228 HydrophobicContact CG-SD 3.87Å; Y204-M228 VanDerWaalsContact CZ-CG 3.47Å; Y204-R231 WeakPolarHBondContact OH-CD 3.4Å; Y204-R231 PolarHBondContact OH-NE 3.22Å
205	R	87.6	Confident	80	Confident	197 Å²	197	61.9 Å²	61.9	74%	0.743	31%	0.306	S	S	*	.	H	α-helix	trans	-56.4	-49.4	175.1	-176.6	178.8	176.4	177.7	-2.1	110.9	I201 C202 L203 A207 Y208 V209	I201-R205 PolarHBondContact O-N 2.75Å; C202-R205 WeakPolarHBondContact O-CB 3.47Å; C202-R205 PolarHBondContact O-N 3.3Å; C202-R205 VanDerWaalsContact O-N 3.09Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 3.17Å; R205-A207 PolarHBondContact O-N 2.81Å; R205-Y208 PolarHBondContact O-N 2.77Å; R205-V209 WeakPolarHBondContact O-CG2 3.31Å; R205-V209 PolarHBondContact O-N 3.47Å
206	H	90.6	Very high	81.5	Confident	32 Å²	32	58.9 Å²	58.9	15%	0.148	29%	0.285	C	S	.	.	H	α-helix	trans	-66.4	-29.7	-177.8	-77	-75.3	0	0	0	114.3	C202 L203 Y204 Y208 V209 N214 L216	C202-H206 PolarHBondContact O-CD2 2.86Å; C202-H206 PolarHBondContact O-N 2.67Å; C202-H206 VanDerWaalsContact SG-CD2 3.57Å; L203-H206 PolarHBondContact O-N 2.92Å; L203-H206 VanDerWaalsContact O-N 3.12Å; Y204-H206 VanDerWaalsContact C-N 3.33Å; Y204-H206 PolarHBondContact O-N 3.4Å; H206-Y208 PolarHBondContact O-N 2.86Å; H206-V209 PolarHBondContact O-N 3.42Å; H206-N214 PolarHBondContact ND1-O 3.06Å; H206-L216 HydrophobicContact CB-CD1 4.26Å; H206-L216 HydrophobicContact CB-CD2 3.5Å; H206-L216 HydrophobicContact CB-CG 3.66Å
207	A	89.7	Confident	82.8	Confident	3 Å²	3	60.7 Å²	60.7	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-67.5	-15.2	177.3	0	0	0	0	0	114.2	L203 Y204 R205 L216 T221 V224 R225	L203-A207 PolarHBondContact O-N 3.1Å; Y204-A207 PolarHBondContact O-N 2.88Å; R205-A207 PolarHBondContact O-N 2.81Å; A207-L216 HydrophobicContact CB-CD1 3.97Å; A207-T221 HydrophobicContact CB-CG2 4.49Å; A207-V224 HydrophobicContact CB-CB 4.17Å; A207-V224 HydrophobicContact CB-CG1 3.39Å; A207-R225 PolarHBondContact O-NH2 3.07Å
208	Y	84.8	Confident	83.8	Confident	14 Å²	14	62.7 Å²	62.7	6%	0.055	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	18.5	177.9	-64.4	-96.2	0	0	0	111.8	Y204 R205 H206 R290 D291 L318	Y204-Y208 VanDerWaalsContact O-CD2 3.31Å; Y204-Y208 WeakPolarHBondContact O-CD2 3.37Å; R205-Y208 PolarHBondContact O-N 2.77Å; H206-Y208 PolarHBondContact O-N 2.86Å; Y208-R290 PolarHBondContact O-NH1 3.28Å; Y208-R290 PolarHBondContact O-NH2 3.09Å; Y208-D291 HydrophobicContact CE1-CB 3.97Å; Y208-L318 HydrophobicContact CD1-CD1 4.39Å; Y208-L318 HydrophobicContact CD1-CD2 3.48Å; Y208-L318 VanDerWaalsContact CD1-CD2 3.48Å; Y208-L318 HydrophobicContact CE1-CD2 3.5Å; Y208-L318 VanDerWaalsContact CE1-CD2 3.5Å
209	V	79.3	Confident	84.5	Confident	40 Å²	40	65.9 Å²	65.9	24%	0.242	33%	0.327	C	S	.	.			trans	-85.8	128.8	173.4	170.7	0	0	0	0	110.1	R205 H206 D211 N214 Q215	R205-V209 WeakPolarHBondContact O-CG2 3.31Å; R205-V209 PolarHBondContact O-N 3.47Å; H206-V209 PolarHBondContact O-N 3.42Å; V209-D211 VanDerWaalsContact C-N 3.3Å; V209-D211 HydrophobicContact CG1-CB 3.7Å; V209-D211 VanDerWaalsContact CG1-N 3.31Å; V209-N214 HydrophobicContact CG1-CB 4.18Å; V209-Q215 WeakPolarHBondContact O-CG 3.49Å; V209-Q215 PolarHBondContact O-NE2 3.41Å
210	D	69.3	Low	85	Confident	91 Å²	91	65.5 Å²	65.5	49%	0.487	33%	0.325	S	S	.	.			trans	-76.5	-19.6	176.3	-56.6	-26.3	0	0	0	112.1	S212 R290	D210-S212 PolarHBondContact O-N 3.2Å; D210-R290 IonicContact OD1-CZ 2.79Å; D210-R290 IonicContact OD1-NH2 3.72Å; D210-R290 PolarHBondContact OD1-NH2 3.25Å; D210-R290 IonicContact OD2-NH2 3.91Å
211	D	71.1	Confident	85.3	Confident	58 Å²	58	65.9 Å²	65.9	31%	0.31	33%	0.327	S	S	.	.			trans	-74	107.7	176.5	-171.8	-8.5	0	0	0	111.4	V209 R213 N214	V209-D211 VanDerWaalsContact C-N 3.3Å; V209-D211 HydrophobicContact CG1-CB 3.7Å; V209-D211 VanDerWaalsContact CG1-N 3.31Å; D211-R213 PolarHBondContact O-N 3.02Å; D211-R213 PolarHBondContact OD1-N 2.88Å; D211-R213 IonicContact OD1-NE 3.3Å; D211-R213 IonicContact OD2-NE 3.53Å; D211-R213 IonicContact OD2-NH2 3.2Å; D211-N214 PolarHBondContact O-N 3.16Å
212	S	68.9	Low	85.6	Confident	89 Å²	89	63.8 Å²	63.8	62%	0.622	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-43.8	-31.6	174.6	60.8	0	0	0	0	115.1	D210 N214	D210-S212 PolarHBondContact O-N 3.2Å; S212-N214 VanDerWaalsContact C-N 3.25Å; S212-N214 PolarHBondContact O-N 3.25Å
213	R	70.9	Confident	85.8	Confident	202 Å²	202	64 Å²	64	76%	0.762	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-69.3	-23.2	-177.9	-71.1	-178.5	-73	-171.6	-3.8	113.7	D211	D211-R213 PolarHBondContact O-N 3.02Å; D211-R213 PolarHBondContact OD1-N 2.88Å; D211-R213 IonicContact OD1-NE 3.3Å; D211-R213 IonicContact OD2-NE 3.53Å; D211-R213 IonicContact OD2-NH2 3.2Å
214	N	77.3	Confident	85.9	Confident	77 Å²	77	64 Å²	64	41%	0.412	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-116.9	10.9	-173.2	-70.6	-39.1	0	0	0	112.8	H206 V209 D211 S212	H206-N214 PolarHBondContact ND1-O 3.06Å; V209-N214 HydrophobicContact CG1-CB 4.18Å; D211-N214 PolarHBondContact O-N 3.16Å; S212-N214 VanDerWaalsContact C-N 3.25Å; S212-N214 PolarHBondContact O-N 3.25Å
215	Q	83.7	Confident	86	Confident	88 Å²	88	63.9 Å²	63.9	41%	0.411	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-76.6	142.3	-179.7	-74.1	176	-9.1	0	0	111.6	K173 V209	K173-Q215 PolarHBondContact NZ-O 3.48Å; V209-Q215 WeakPolarHBondContact O-CG 3.49Å; V209-Q215 PolarHBondContact O-NE2 3.41Å
216	L	91.6	Very high	86.3	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.047	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.2	167.3	172.5	-53.1	175.4	0	0	0	111.1	D169 K173 L203 H206 A207 C220 T221 V224	D169-L216 HydrophobicContact CB-CD2 4.02Å; K173-L216 HydrophobicContact CD-CD2 4.19Å; L203-L216 HydrophobicContact CB-CD1 4.2Å; L203-L216 HydrophobicContact CD2-CD1 4.09Å; L203-L216 HydrophobicContact CD2-CD2 3.59Å; L203-L216 VanDerWaalsContact O-CD1 3.32Å; L203-L216 WeakPolarHBondContact O-CD1 3.48Å; H206-L216 HydrophobicContact CB-CD1 4.26Å; H206-L216 HydrophobicContact CB-CD2 3.5Å; H206-L216 HydrophobicContact CB-CG 3.66Å; A207-L216 HydrophobicContact CB-CD1 3.97Å; L216-C220 HydrophobicContact CB-CB 4.18Å; L216-T221 WeakPolarHBondContact CB-OG1 3.23Å; L216-V224 HydrophobicContact CD1-CG2 4.04Å
217	S	93.5	Very high	86.4	Confident	38 Å²	38	54.4 Å²	54.4	27%	0.266	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-57.5	152.4	168.4	69.2	0	0	0	0	111.1	D169 K219 C220 T221	D169-S217 PolarHBondContact OD1-N 3.36Å; D169-S217 WeakPolarHBondContact OD2-CB 3.37Å; D169-S217 PolarHBondContact OD2-N 2.96Å; D169-S217 PolarHBondContact OD2-OG 3.26Å; S217-K219 VanDerWaalsContact C-N 3.26Å; S217-K219 PolarHBondContact O-N 3.47Å; S217-C220 PolarHBondContact O-N 2.71Å; S217-C220 VanDerWaalsContact O-N 3.16Å; S217-C220 VanDerWaalsContact OG-CB 3.23Å; S217-C220 WeakPolarHBondContact OG-CB 3.36Å; S217-C220 PolarHBondContact OG-N 3.11Å; S217-T221 WeakPolarHBondContact O-CB 3.49Å; S217-T221 PolarHBondContact O-N 3.06Å; S217-T221 PolarHBondContact O-OG1 3.31Å
218	P	92.3	Very high	86.5	Confident	113 Å²	113	54.8 Å²	54.8	73%	0.734	29%	0.286	S	S	*	.	H	α-helix	trans	-57.3	-38.6	179.9	-28	35.5	0	0	0	113.2	T221 A222	P218-T221 PolarHBondContact O-N 3.02Å; P218-A222 WeakPolarHBondContact O-CB 3.3Å; P218-A222 PolarHBondContact O-N 3.18Å
219	K	94.6	Very high	86.8	Confident	164 Å²	164	58.2 Å²	58.2	71%	0.713	30%	0.299	S	S	*	.	H	α-helix	trans	-64.4	-48.7	176.1	-67	-172.1	178.6	-174.7	0	111.4	A165 S217 T221 A222 E223	A165-K219 HydrophobicContact CB-CB 4.27Å; S217-K219 VanDerWaalsContact C-N 3.26Å; S217-K219 PolarHBondContact O-N 3.47Å; K219-T221 VanDerWaalsContact C-N 3.32Å; K219-T221 PolarHBondContact O-N 2.93Å; K219-A222 PolarHBondContact O-N 3.39Å; K219-E223 PolarHBondContact O-N 2.79Å; K219-E223 VanDerWaalsContact O-N 3.08Å
220	C	95.3	Very high	87.4	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-40.2	178.3	-180	0	0	0	0	112	A165 C166 D169 L216 S217 A222 E223 V224	A165-C220 WeakPolarHBondContact O-CB 3.49Å; C166-C220 WeakPolarHBondContact CA-SG 3.45Å; C166-C220 HydrophobicContact CB-CB 3.96Å; C166-C220 WeakPolarHBondContact CB-SG 3.43Å; C166-C220 WeakPolarHBondContact SG-CA 3.29Å; C166-C220 WeakPolarHBondContact SG-CB 3.41Å; C166-C220 PolarHBondContact SG-O 2.79Å; C166-C220 VanDerWaalsContact SG-O 3.41Å; C166-C220 CovalentContact SG-SG 2.03Å; C166-C220 PolarHBondContact SG-SG 3.27Å; D169-C220 HydrophobicContact CB-CB 4.42Å; D169-C220 WeakPolarHBondContact OD2-CB 3.37Å; L216-C220 HydrophobicContact CB-CB 4.18Å; S217-C220 PolarHBondContact O-N 2.71Å; S217-C220 VanDerWaalsContact O-N 3.16Å; S217-C220 VanDerWaalsContact OG-CB 3.23Å; S217-C220 WeakPolarHBondContact OG-CB 3.36Å; S217-C220 PolarHBondContact OG-N 3.11Å; C220-A222 VanDerWaalsContact C-N 3.35Å; C220-A222 PolarHBondContact O-N 2.83Å; C220-E223 PolarHBondContact O-N 2.88Å; C220-V224 VanDerWaalsContact O-CB 3.3Å; C220-V224 WeakPolarHBondContact O-CB 3.34Å; C220-V224 VanDerWaalsContact O-CG2 3.27Å; C220-V224 WeakPolarHBondContact O-CG2 3.21Å; C220-V224 PolarHBondContact O-N 3.34Å
221	T	93.6	Very high	88.4	Confident	14 Å²	14	53.9 Å²	53.9	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-46	175.5	-59	0	0	0	0	111.6	A207 L216 S217 P218 K219 R225	A207-T221 HydrophobicContact CB-CG2 4.49Å; L216-T221 WeakPolarHBondContact CB-OG1 3.23Å; S217-T221 WeakPolarHBondContact O-CB 3.49Å; S217-T221 PolarHBondContact O-N 3.06Å; S217-T221 PolarHBondContact O-OG1 3.31Å; P218-T221 PolarHBondContact O-N 3.02Å; K219-T221 VanDerWaalsContact C-N 3.32Å; K219-T221 PolarHBondContact O-N 2.93Å; T221-R225 WeakPolarHBondContact O-CB 3.32Å; T221-R225 VanDerWaalsContact O-CG 3.32Å; T221-R225 WeakPolarHBondContact O-CG 3.39Å; T221-R225 PolarHBondContact O-N 2.99Å
222	A	92.6	Very high	89.4	Confident	50 Å²	50	51.6 Å²	51.6	41%	0.413	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-46.1	178.7	0	0	0	0	0	111.9	P218 K219 C220 R225 R226	P218-A222 WeakPolarHBondContact O-CB 3.3Å; P218-A222 PolarHBondContact O-N 3.18Å; K219-A222 PolarHBondContact O-N 3.39Å; C220-A222 VanDerWaalsContact C-N 3.35Å; C220-A222 PolarHBondContact O-N 2.83Å; A222-R225 PolarHBondContact O-N 3.04Å; A222-R226 PolarHBondContact O-N 3.16Å
223	E	94.1	Very high	90.4	Very high	37 Å²	37	47.7 Å²	47.7	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-40.8	179.1	-69.1	-54.7	123	0	0	112.6	Q161 L162 A165 K219 C220 R225 R226 V227	Q161-E223 VanDerWaalsContact CB-OE2 3.28Å; Q161-E223 WeakPolarHBondContact CB-OE2 3.33Å; L162-E223 HydrophobicContact CD1-CB 3.87Å; A165-E223 HydrophobicContact CB-CB 4.09Å; A165-E223 HydrophobicContact CB-CG 3.59Å; K219-E223 PolarHBondContact O-N 2.79Å; K219-E223 VanDerWaalsContact O-N 3.08Å; C220-E223 PolarHBondContact O-N 2.88Å; E223-R225 VanDerWaalsContact C-N 3.33Å; E223-R225 PolarHBondContact O-N 3.21Å; E223-R226 WeakPolarHBondContact O-CB 3.23Å; E223-R226 PolarHBondContact O-N 2.79Å; E223-R226 IonicContact OE1-NE 2.81Å; E223-R226 IonicContact OE2-CZ 3.7Å; E223-R226 IonicContact OE2-NE 3.11Å; E223-R226 PolarHBondContact OE2-NE 3.2Å; E223-R226 IonicContact OE2-NH2 2.89Å; E223-R226 PolarHBondContact OE2-NH2 3.46Å; E223-V227 WeakPolarHBondContact O-CG2 3.42Å; E223-V227 PolarHBondContact O-N 3.48Å
224	V	93.8	Very high	91.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-46.6	172.8	160.4	0	0	0	0	110.9	L162 L203 Y204 A207 L216 C220 V227 M228	L162-V224 HydrophobicContact CD1-CG2 3.95Å; L203-V224 HydrophobicContact CB-CG2 3.98Å; Y204-V224 HydrophobicContact CD1-CB 4.43Å; Y204-V224 HydrophobicContact CD1-CG1 3.39Å; Y204-V224 HydrophobicContact CD1-CG2 4.45Å; Y204-V224 HydrophobicContact CE1-CB 4.49Å; Y204-V224 HydrophobicContact CE1-CG1 3.77Å; Y204-V224 HydrophobicContact CG-CG1 4.46Å; A207-V224 HydrophobicContact CB-CB 4.17Å; A207-V224 HydrophobicContact CB-CG1 3.39Å; L216-V224 HydrophobicContact CD1-CG2 4.04Å; C220-V224 VanDerWaalsContact O-CB 3.3Å; C220-V224 WeakPolarHBondContact O-CB 3.34Å; C220-V224 VanDerWaalsContact O-CG2 3.27Å; C220-V224 WeakPolarHBondContact O-CG2 3.21Å; C220-V224 PolarHBondContact O-N 3.34Å; V224-V227 PolarHBondContact O-N 3.29Å; V224-M228 WeakPolarHBondContact O-CB 3.47Å; V224-M228 VanDerWaalsContact O-CG 3.29Å; V224-M228 WeakPolarHBondContact O-CG 3.47Å; V224-M228 PolarHBondContact O-N 3.26Å
225	R	92.2	Very high	91.9	Very high	25 Å²	25	34.6 Å²	34.6	9%	0.094	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-35.9	177.8	-71.4	175.8	-176.3	158	5.2	111.9	A207 T221 A222 E223 R229 E317	A207-R225 PolarHBondContact O-NH2 3.07Å; T221-R225 WeakPolarHBondContact O-CB 3.32Å; T221-R225 VanDerWaalsContact O-CG 3.32Å; T221-R225 WeakPolarHBondContact O-CG 3.39Å; T221-R225 PolarHBondContact O-N 2.99Å; A222-R225 PolarHBondContact O-N 3.04Å; E223-R225 VanDerWaalsContact C-N 3.33Å; E223-R225 PolarHBondContact O-N 3.21Å; R225-R229 VanDerWaalsContact O-CG 3.32Å; R225-R229 WeakPolarHBondContact O-CG 3.42Å; R225-R229 PolarHBondContact O-N 3.29Å; R225-R229 VanDerWaalsContact O-N 3.15Å; R225-R229 PolarHBondContact O-NE 2.92Å; R225-E317 IonicContact CZ-OE2 3.82Å; R225-E317 IonicContact NH1-OE2 2.87Å; R225-E317 PolarHBondContact NH1-OE2 3.31Å; R225-E317 IonicContact NH2-OE2 2.84Å
226	R	92.5	Very high	92.1	Very high	27 Å²	27	35 Å²	35	10%	0.102	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-55.3	172.3	-178.9	-172.6	62.2	73	-0.8	110.6	S126 D159 A222 E223 M228 R229 E230	S126-R226 WeakPolarHBondContact OG-CD 3.49Å; S126-R226 PolarHBondContact OG-NH1 3.2Å; D159-R226 VanDerWaalsContact CG-NH2 3.32Å; D159-R226 IonicContact OD1-NH2 3.17Å; D159-R226 PolarHBondContact OD1-NH2 3.28Å; D159-R226 IonicContact OD2-CZ 3.73Å; D159-R226 IonicContact OD2-NH1 2.85Å; D159-R226 PolarHBondContact OD2-NH1 3.32Å; D159-R226 IonicContact OD2-NH2 2.91Å; D159-R226 PolarHBondContact OD2-NH2 3.15Å; A222-R226 PolarHBondContact O-N 3.16Å; E223-R226 WeakPolarHBondContact O-CB 3.23Å; E223-R226 PolarHBondContact O-N 2.79Å; E223-R226 IonicContact OE1-NE 2.81Å; E223-R226 IonicContact OE2-CZ 3.7Å; E223-R226 IonicContact OE2-NE 3.11Å; E223-R226 PolarHBondContact OE2-NE 3.2Å; E223-R226 IonicContact OE2-NH2 2.89Å; E223-R226 PolarHBondContact OE2-NH2 3.46Å; R226-M228 VanDerWaalsContact C-N 3.3Å; R226-M228 PolarHBondContact O-N 2.83Å; R226-R229 WeakPolarHBondContact O-CB 3.48Å; R226-R229 PolarHBondContact O-N 2.92Å; R226-R229 VanDerWaalsContact O-N 3.08Å; R226-E230 WeakPolarHBondContact CG-OE1 3.22Å; R226-E230 IonicContact CZ-OE1 2.85Å; R226-E230 IonicContact NH1-OE1 2.98Å; R226-E230 PolarHBondContact NH1-OE1 3.35Å; R226-E230 IonicContact NH1-OE2 3.72Å; R226-E230 PolarHBondContact NH1-OE2 2.86Å; R226-E230 PolarHBondContact O-N 2.85Å
227	V	92.6	Very high	92	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-35.8	-177.3	175.6	0	0	0	0	111.7	D159 L162 Y204 E223 V224 R229 E230 R231	D159-V227 VanDerWaalsContact OD2-CG2 3.3Å; D159-V227 WeakPolarHBondContact OD2-CG2 3.49Å; L162-V227 HydrophobicContact CB-CG2 4.21Å; L162-V227 HydrophobicContact CD1-CG2 4.29Å; L162-V227 HydrophobicContact CD2-CB 4.46Å; L162-V227 HydrophobicContact CD2-CG1 4.36Å; L162-V227 HydrophobicContact CD2-CG2 4.08Å; L162-V227 HydrophobicContact CG-CG2 4.41Å; Y204-V227 WeakPolarHBondContact OH-CG1 3.35Å; E223-V227 WeakPolarHBondContact O-CG2 3.42Å; E223-V227 PolarHBondContact O-N 3.48Å; V224-V227 PolarHBondContact O-N 3.29Å; V227-R229 VanDerWaalsContact C-N 3.35Å; V227-R229 PolarHBondContact O-N 2.89Å; V227-E230 PolarHBondContact O-N 3.09Å; V227-R231 HydrophobicContact CG1-CG 4.25Å; V227-R231 VanDerWaalsContact CG1-NE 3.25Å; V227-R231 WeakPolarHBondContact O-CB 3.4Å; V227-R231 VanDerWaalsContact O-CG 3.24Å; V227-R231 WeakPolarHBondContact O-CG 3.32Å; V227-R231 PolarHBondContact O-N 3.07Å
228	M	92.2	Very high	91.9	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-42.2	172.7	-81.3	-67.8	-89.7	0	0	113	Y204 V224 R226 A232 L287 L294	Y204-M228 HydrophobicContact CD1-CG 3.9Å; Y204-M228 HydrophobicContact CD1-SD 4.18Å; Y204-M228 HydrophobicContact CD2-CE 3.99Å; Y204-M228 HydrophobicContact CD2-CG 4.13Å; Y204-M228 HydrophobicContact CD2-SD 3.3Å; Y204-M228 WeakPolarHBondContact CD2-SD 3.19Å; Y204-M228 HydrophobicContact CE1-CG 3.53Å; Y204-M228 HydrophobicContact CE1-SD 3.88Å; Y204-M228 HydrophobicContact CE2-CE 4.24Å; Y204-M228 HydrophobicContact CE2-CG 3.86Å; Y204-M228 HydrophobicContact CE2-SD 3Å; Y204-M228 WeakPolarHBondContact CE2-SD 3.4Å; Y204-M228 HydrophobicContact CG-CE 4.4Å; Y204-M228 HydrophobicContact CG-CG 4.12Å; Y204-M228 HydrophobicContact CG-SD 3.87Å; Y204-M228 VanDerWaalsContact CZ-CG 3.47Å; V224-M228 WeakPolarHBondContact O-CB 3.47Å; V224-M228 VanDerWaalsContact O-CG 3.29Å; V224-M228 WeakPolarHBondContact O-CG 3.47Å; V224-M228 PolarHBondContact O-N 3.26Å; R226-M228 VanDerWaalsContact C-N 3.3Å; R226-M228 PolarHBondContact O-N 2.83Å; M228-A232 VanDerWaalsContact O-CB 3.29Å; M228-A232 WeakPolarHBondContact O-CB 3.42Å; M228-A232 PolarHBondContact O-N 2.94Å; M228-L287 HydrophobicContact CE-CD1 3.86Å; M228-L294 HydrophobicContact CB-CD2 3.81Å; M228-L294 HydrophobicContact CE-CD1 4.27Å
229	R	91.8	Very high	91.7	Very high	87 Å²	87	28.7 Å²	28.7	33%	0.328	13%	0.134	S	C	.	.	H	α-helix	trans	-67.7	-42.3	177.1	-72.2	178.5	-65.8	-170.4	0.6	112.1	R225 R226 V227 A232 R293 L294	R225-R229 VanDerWaalsContact O-CG 3.32Å; R225-R229 WeakPolarHBondContact O-CG 3.42Å; R225-R229 PolarHBondContact O-N 3.29Å; R225-R229 VanDerWaalsContact O-N 3.15Å; R225-R229 PolarHBondContact O-NE 2.92Å; R226-R229 WeakPolarHBondContact O-CB 3.48Å; R226-R229 PolarHBondContact O-N 2.92Å; R226-R229 VanDerWaalsContact O-N 3.08Å; V227-R229 VanDerWaalsContact C-N 3.35Å; V227-R229 PolarHBondContact O-N 2.89Å; R229-A232 PolarHBondContact O-N 3.24Å; R229-R293 HydrophobicContact CG-CB 4.06Å; R229-L294 HydrophobicContact CG-CD2 4.19Å
230	E	90.9	Very high	91.4	Very high	15 Å²	15	23.8 Å²	23.8	7%	0.07	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-43.5	177	-71.1	173.5	-175.1	0	0	111.5	S126 M129 R226 V227 A232 I233	S126-E230 WeakPolarHBondContact CA-OE1 3.46Å; S126-E230 VanDerWaalsContact CB-OE1 3.22Å; S126-E230 WeakPolarHBondContact CB-OE1 3.32Å; S126-E230 PolarHBondContact OG-OE1 3.19Å; M129-E230 HydrophobicContact CB-CG 4.18Å; M129-E230 HydrophobicContact CE-CB 4.13Å; R226-E230 WeakPolarHBondContact CG-OE1 3.22Å; R226-E230 IonicContact CZ-OE1 2.85Å; R226-E230 IonicContact NH1-OE1 2.98Å; R226-E230 PolarHBondContact NH1-OE1 3.35Å; R226-E230 IonicContact NH1-OE2 3.72Å; R226-E230 PolarHBondContact NH1-OE2 2.86Å; R226-E230 PolarHBondContact O-N 2.85Å; V227-E230 PolarHBondContact O-N 3.09Å; E230-A232 VanDerWaalsContact C-N 3.3Å; E230-A232 PolarHBondContact O-N 2.97Å; E230-I233 WeakPolarHBondContact O-CB 3.02Å; E230-I233 WeakPolarHBondContact O-CG1 3.5Å; E230-I233 PolarHBondContact O-N 2.98Å
231	R	91.6	Very high	91.3	Very high	24 Å²	24	24 Å²	24	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-31.1	176.5	-70.9	177	-174.6	-142.5	0.1	113.2	L152 A153 Y204 V227 I233 L237 M238	L152-R231 PolarHBondContact O-NH2 3.39Å; A153-R231 VanDerWaalsContact CA-CZ 3.46Å; A153-R231 VanDerWaalsContact CA-NH2 3.3Å; A153-R231 HydrophobicContact CB-CG 4.26Å; A153-R231 PolarHBondContact O-NH1 3.17Å; A153-R231 PolarHBondContact O-NH2 3.49Å; Y204-R231 WeakPolarHBondContact OH-CD 3.4Å; Y204-R231 PolarHBondContact OH-NE 3.22Å; V227-R231 HydrophobicContact CG1-CG 4.25Å; V227-R231 VanDerWaalsContact CG1-NE 3.25Å; V227-R231 WeakPolarHBondContact O-CB 3.4Å; V227-R231 VanDerWaalsContact O-CG 3.24Å; V227-R231 WeakPolarHBondContact O-CG 3.32Å; V227-R231 PolarHBondContact O-N 3.07Å; R231-I233 PolarHBondContact O-N 2.89Å; R231-I233 VanDerWaalsContact O-N 3.16Å; R231-L237 HydrophobicContact CB-CB 4.4Å; R231-L237 WeakPolarHBondContact CB-O 3.44Å; R231-L237 WeakPolarHBondContact CG-O 3.39Å; R231-M238 WeakPolarHBondContact O-CG 3.45Å
232	A	92.3	Very high	91.1	Very high	10 Å²	10	24.3 Å²	24.3	8%	0.083	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-5.3	179.3	0	0	0	0	0	114.2	M228 R229 E230 F284 L294	M228-A232 VanDerWaalsContact O-CB 3.29Å; M228-A232 WeakPolarHBondContact O-CB 3.42Å; M228-A232 PolarHBondContact O-N 2.94Å; R229-A232 PolarHBondContact O-N 3.24Å; E230-A232 VanDerWaalsContact C-N 3.3Å; E230-A232 PolarHBondContact O-N 2.97Å; A232-F284 HydrophobicContact CB-CZ 3.75Å; A232-L294 HydrophobicContact CB-CB 4.38Å; A232-L294 HydrophobicContact CB-CD2 4.44Å; A232-L294 WeakPolarHBondContact CB-O 3.35Å
233	I	89	Confident	90.9	Very high	7 Å²	7	28 Å²	28	4%	0.036	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-40.2	-178.3	-64.3	171.4	0	0	0	112	M129 L132 E230 R231 V259 G260 Q296	M129-I233 HydrophobicContact CE-CD1 3.88Å; M129-I233 WeakPolarHBondContact O-CD1 3.38Å; L132-I233 HydrophobicContact CB-CG2 4.26Å; L132-I233 HydrophobicContact CD2-CB 4.3Å; L132-I233 HydrophobicContact CD2-CG2 3.39Å; L132-I233 HydrophobicContact CG-CG2 4.32Å; E230-I233 WeakPolarHBondContact O-CB 3.02Å; E230-I233 WeakPolarHBondContact O-CG1 3.5Å; E230-I233 PolarHBondContact O-N 2.98Å; R231-I233 PolarHBondContact O-N 2.89Å; R231-I233 VanDerWaalsContact O-N 3.16Å; I233-V259 HydrophobicContact CG2-CG1 3.31Å; I233-V259 VanDerWaalsContact O-CG1 3.26Å; I233-V259 WeakPolarHBondContact O-CG1 3.36Å; I233-G260 PolarHBondContact O-N 3.44Å; I233-Q296 HydrophobicContact CG1-CB 4.31Å; I233-Q296 HydrophobicContact CG1-CG 3.81Å
234	S	89.1	Confident	90.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	14%	0.141	C	C	.	.			trans	-139.4	144.6	177.1	170.6	0	0	0	0	110.6	R236 L237 E262	S234-R236 PolarHBondContact O-N 3.33Å; S234-R236 VanDerWaalsContact O-N 3.09Å; S234-R236 PolarHBondContact OG-N 3.01Å; S234-L237 PolarHBondContact O-N 3.47Å; S234-E262 PolarHBondContact OG-OE1 2.96Å
235	V	91.3	Very high	90.9	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30	175.1	174.8	0	0	0	0	111.7	L237 M238 V241 A242 L249 E262 L263 L266	V235-L237 PolarHBondContact O-N 3.25Å; V235-M238 WeakPolarHBondContact O-CB 3.41Å; V235-M238 PolarHBondContact O-N 3.42Å; V235-V241 HydrophobicContact CG1-CB 4.26Å; V235-V241 HydrophobicContact CG1-CG1 3.76Å; V235-A242 HydrophobicContact CG1-CB 4.36Å; V235-A242 WeakPolarHBondContact O-CB 3.2Å; V235-L249 HydrophobicContact CG1-CD1 3.91Å; V235-E262 HydrophobicContact CB-CB 4.22Å; V235-E262 HydrophobicContact CG2-CB 3.8Å; V235-L263 HydrophobicContact CG2-CB 3.78Å; V235-L266 HydrophobicContact CG2-CD1 4.46Å
236	R	87.4	Confident	90.9	Very high	96 Å²	96	31.9 Å²	31.9	36%	0.362	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-60.2	-29.1	177.7	-59.9	-178.4	-170.8	175.8	7.4	113.6	R154 S234 M238	R154-R236 PolarHBondContact NH1-O 2.84Å; S234-R236 PolarHBondContact O-N 3.33Å; S234-R236 VanDerWaalsContact O-N 3.09Å; S234-R236 PolarHBondContact OG-N 3.01Å; R236-M238 VanDerWaalsContact C-N 3.3Å
237	L	90.2	Very high	90.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-90.2	4.4	178.7	-53.9	-177.5	0	0	0	112.5	M129 L146 Q149 A153 R231 S234 V235 P239	M129-L237 HydrophobicContact CE-CD1 3.56Å; L146-L237 HydrophobicContact CD2-CD1 4.03Å; L146-L237 HydrophobicContact CD2-CD2 4.29Å; L146-L237 HydrophobicContact CD2-CG 4.26Å; Q149-L237 HydrophobicContact CB-CD1 4.28Å; Q149-L237 HydrophobicContact CB-CD2 3.75Å; A153-L237 HydrophobicContact CB-CB 4.39Å; A153-L237 WeakPolarHBondContact CB-O 3.46Å; R231-L237 HydrophobicContact CB-CB 4.4Å; R231-L237 WeakPolarHBondContact CB-O 3.44Å; R231-L237 WeakPolarHBondContact CG-O 3.39Å; S234-L237 PolarHBondContact O-N 3.47Å; V235-L237 PolarHBondContact O-N 3.25Å; L237-P239 WeakPolarHBondContact O-CD 3.38Å
238	M	90.7	Very high	91	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.069	17%	0.173	C	C	.	.			trans	-116	82.1	178.6	-58.6	170.7	51.4	0	0	109.7	R231 V235 R236 A240 V241 A242 F284	R231-M238 WeakPolarHBondContact O-CG 3.45Å; V235-M238 WeakPolarHBondContact O-CB 3.41Å; V235-M238 PolarHBondContact O-N 3.42Å; R236-M238 VanDerWaalsContact C-N 3.3Å; M238-A240 VanDerWaalsContact C-N 3.27Å; M238-A240 PolarHBondContact O-N 2.04Å; M238-A240 VanDerWaalsContact O-N 3.1Å; M238-V241 HydrophobicContact CB-CB 4.23Å; M238-V241 HydrophobicContact CB-CG2 4.49Å; M238-V241 HydrophobicContact CE-CB 4.09Å; M238-V241 HydrophobicContact CE-CG2 3.55Å; M238-V241 PolarHBondContact O-N 3.03Å; M238-A242 PolarHBondContact O-N 3.38Å; M238-F284 HydrophobicContact CE-CB 4.07Å; M238-F284 HydrophobicContact CE-CD1 3.45Å; M238-F284 VanDerWaalsContact CE-CD1 3.45Å; M238-F284 HydrophobicContact CE-CD2 3.29Å; M238-F284 HydrophobicContact CE-CE1 3.54Å; M238-F284 HydrophobicContact CE-CE2 3.4Å; M238-F284 VanDerWaalsContact CE-CE2 3.4Å; M238-F284 HydrophobicContact CE-CG 3.29Å; M238-F284 HydrophobicContact CE-CZ 3.51Å; M238-F284 HydrophobicContact SD-CD1 4.49Å; M238-F284 HydrophobicContact SD-CE1 4.04Å; M238-F284 HydrophobicContact SD-CE2 4.14Å; M238-F284 HydrophobicContact SD-CZ 3.84Å
239	P	87.9	Confident	91	Very high	11 Å²	11	34 Å²	34	7%	0.071	18%	0.18	C	C	.	.	H	α-helix	trans	-50.4	-43.9	-171.6	-28.9	34.3	0	0	0	114.1	A153 R154 L237 V241 A242 E243	A153-P239 WeakPolarHBondContact O-CG 3.14Å; R154-P239 HydrophobicContact CG-CB 4.35Å; R154-P239 HydrophobicContact CG-CG 3.68Å; L237-P239 WeakPolarHBondContact O-CD 3.38Å; P239-V241 VanDerWaalsContact C-N 3.3Å; P239-V241 PolarHBondContact O-N 3.14Å; P239-A242 PolarHBondContact O-N 2.83Å; P239-E243 VanDerWaalsContact O-CB 3.31Å; P239-E243 WeakPolarHBondContact O-CB 3.28Å; P239-E243 VanDerWaalsContact O-CG 3.29Å; P239-E243 WeakPolarHBondContact O-CG 2.98Å; P239-E243 PolarHBondContact O-N 3.3Å
240	A	88.2	Confident	91	Very high	61 Å²	61	34 Å²	34	50%	0.504	19%	0.193	S	C	.	.	H	α-helix	trans	-62.1	-33.1	180	0	0	0	0	0	113.9	M238 A244	M238-A240 VanDerWaalsContact C-N 3.27Å; M238-A240 PolarHBondContact O-N 2.04Å; M238-A240 VanDerWaalsContact O-N 3.1Å; A240-A244 VanDerWaalsContact O-CB 3.27Å; A240-A244 WeakPolarHBondContact O-CB 3.47Å
241	V	92.6	Very high	91.1	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-86.4	-44.9	177	-179.4	0	0	0	0	110.1	V235 M238 P239 E243 A244 C245 L266 A280 V281 F284	V235-V241 HydrophobicContact CG1-CB 4.26Å; V235-V241 HydrophobicContact CG1-CG1 3.76Å; M238-V241 HydrophobicContact CB-CB 4.23Å; M238-V241 HydrophobicContact CB-CG2 4.49Å; M238-V241 HydrophobicContact CE-CB 4.09Å; M238-V241 HydrophobicContact CE-CG2 3.55Å; M238-V241 PolarHBondContact O-N 3.03Å; P239-V241 VanDerWaalsContact C-N 3.3Å; P239-V241 PolarHBondContact O-N 3.14Å; V241-E243 VanDerWaalsContact C-N 3.32Å; V241-E243 PolarHBondContact O-N 3.05Å; V241-A244 PolarHBondContact O-N 3.3Å; V241-C245 HydrophobicContact CG1-CB 4.39Å; V241-C245 WeakPolarHBondContact O-CB 3.27Å; V241-C245 PolarHBondContact O-N 3.42Å; V241-C245 PolarHBondContact O-SG 2.85Å; V241-L266 HydrophobicContact CG1-CD1 4.01Å; V241-A280 HydrophobicContact CG2-CB 4.16Å; V241-V281 HydrophobicContact CG1-CG2 4.39Å; V241-F284 HydrophobicContact CG2-CB 4.39Å
242	A	90.1	Very high	91.2	Very high	19 Å²	19	40.8 Å²	40.8	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-42.9	179	0	0	0	0	0	112.9	V235 M238 P239 F246	V235-A242 HydrophobicContact CG1-CB 4.36Å; V235-A242 WeakPolarHBondContact O-CB 3.2Å; M238-A242 PolarHBondContact O-N 3.38Å; P239-A242 PolarHBondContact O-N 2.83Å; A242-F246 PolarHBondContact O-N 2.87Å
243	E	88.8	Confident	91.3	Very high	127 Å²	127	40.4 Å²	40.4	59%	0.593	23%	0.225	S	C	*	.	H	α-helix	trans	-71.8	-45.6	-179.7	-71.2	168.3	-162.1	0	0	111.8	P239 V241	P239-E243 VanDerWaalsContact O-CB 3.31Å; P239-E243 WeakPolarHBondContact O-CB 3.28Å; P239-E243 VanDerWaalsContact O-CG 3.29Å; P239-E243 WeakPolarHBondContact O-CG 2.98Å; P239-E243 PolarHBondContact O-N 3.3Å; V241-E243 VanDerWaalsContact C-N 3.32Å; V241-E243 PolarHBondContact O-N 3.05Å
244	A	93.5	Very high	91.4	Very high	29 Å²	29	43.7 Å²	43.7	24%	0.24	25%	0.248	C	C	.	.	H	α-helix	trans	-70.6	-31.2	-178.5	0	0	0	0	0	112.9	A240 V241 A276 C277 A280	A240-A244 VanDerWaalsContact O-CB 3.27Å; A240-A244 WeakPolarHBondContact O-CB 3.47Å; V241-A244 PolarHBondContact O-N 3.3Å; A244-A276 HydrophobicContact CB-CB 4.47Å; A244-C277 WeakPolarHBondContact O-CB 3.22Å; A244-A280 HydrophobicContact CB-CB 3.8Å
245	C	94.8	Very high	91.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	8.6	-173	-62	0	0	0	0	114.4	V241 A247 D248 L249 L266 C277	V241-C245 HydrophobicContact CG1-CB 4.39Å; V241-C245 WeakPolarHBondContact O-CB 3.27Å; V241-C245 PolarHBondContact O-N 3.42Å; V241-C245 PolarHBondContact O-SG 2.85Å; C245-A247 VanDerWaalsContact C-N 3.29Å; C245-A247 PolarHBondContact O-N 2.74Å; C245-D248 PolarHBondContact O-N 2.95Å; C245-L249 HydrophobicContact CB-CD1 4.34Å; C245-L249 HydrophobicContact CB-CG 4.28Å; C245-L249 WeakPolarHBondContact O-CB 3.42Å; C245-L249 VanDerWaalsContact O-CG 3.32Å; C245-L249 WeakPolarHBondContact O-CG 3.34Å; C245-L249 PolarHBondContact O-N 3.4Å; C245-L266 HydrophobicContact CB-CD1 3.9Å; C245-L266 HydrophobicContact CB-CD2 4.16Å; C245-C277 VanDerWaalsContact CA-SG 3.5Å; C245-C277 HydrophobicContact CB-CB 3.89Å; C245-C277 WeakPolarHBondContact CB-SG 3.4Å; C245-C277 WeakPolarHBondContact SG-CA 3.3Å; C245-C277 WeakPolarHBondContact SG-CB 3.18Å; C245-C277 CovalentContact SG-SG 2.03Å; C245-C277 PolarHBondContact SG-SG 3.38Å
246	F	90.9	Very high	91.1	Very high	116 Å²	116	55.3 Å²	55.3	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-54.3	-44.4	-176.5	-179	-90.9	0	0	0	112.8	A242 S250	A242-F246 PolarHBondContact O-N 2.87Å; F246-S250 PolarHBondContact O-N 2.98Å
247	A	92.3	Very high	90.7	Very high	46 Å²	46	54.4 Å²	54.4	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-67	-49	178.4	0	0	0	0	0	111.6	C245 L249 S250 D251	C245-A247 VanDerWaalsContact C-N 3.29Å; C245-A247 PolarHBondContact O-N 2.74Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.39Å; A247-S250 PolarHBondContact O-N 2.97Å; A247-S250 VanDerWaalsContact O-N 3.16Å; A247-D251 WeakPolarHBondContact O-CB 3.34Å; A247-D251 PolarHBondContact O-N 3.2Å
248	D	95.2	Very high	90.1	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-38	178.3	-75.7	-51.4	0	0	0	112.8	C245 S250 K252 C253 L266 L273 E274 C277	C245-D248 PolarHBondContact O-N 2.95Å; D248-S250 VanDerWaalsContact C-N 3.34Å; D248-S250 PolarHBondContact O-N 3.34Å; D248-K252 WeakPolarHBondContact O-CA 3.38Å; D248-K252 VanDerWaalsContact O-CB 3.29Å; D248-K252 WeakPolarHBondContact O-CB 3.04Å; D248-K252 PolarHBondContact O-N 2.97Å; D248-K252 WeakPolarHBondContact OD1-CE 3.21Å; D248-C253 PolarHBondContact O-N 2.94Å; D248-L266 HydrophobicContact CB-CD2 4.09Å; D248-L273 HydrophobicContact CB-CD2 3.92Å; D248-E274 PolarHBondContact OD2-N 3.15Å; D248-C277 WeakPolarHBondContact OD2-CB 3.35Å; D248-C277 PolarHBondContact OD2-SG 2.82Å
249	L	92.6	Very high	89.5	Confident	37 Å²	37	57.8 Å²	57.8	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-42.8	175.1	-77	169.2	0	0	0	111.5	V235 C245 A247 C253 S254 E262 L266	V235-L249 HydrophobicContact CG1-CD1 3.91Å; C245-L249 HydrophobicContact CB-CD1 4.34Å; C245-L249 HydrophobicContact CB-CG 4.28Å; C245-L249 WeakPolarHBondContact O-CB 3.42Å; C245-L249 VanDerWaalsContact O-CG 3.32Å; C245-L249 WeakPolarHBondContact O-CG 3.34Å; C245-L249 PolarHBondContact O-N 3.4Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.39Å; L249-C253 HydrophobicContact CD2-CB 4.2Å; L249-C253 CarbonylContact O-C 3.31Å; L249-C253 WeakPolarHBondContact O-CA 3.49Å; L249-C253 PolarHBondContact O-N 3.29Å; L249-S254 PolarHBondContact O-N 3.47Å; L249-E262 HydrophobicContact CD2-CB 3.93Å; L249-L266 HydrophobicContact CD2-CD1 3.79Å; L249-L266 HydrophobicContact CD2-CD2 4.01Å; L249-L266 HydrophobicContact CD2-CG 3.85Å; L249-L266 HydrophobicContact CG-CD1 4.17Å; L249-L266 HydrophobicContact CG-CD2 4.2Å; L249-L266 HydrophobicContact CG-CG 4.44Å
250	S	90.8	Very high	88.9	Confident	85 Å²	85	58.1 Å²	58.1	59%	0.594	34%	0.339	S	S	*	.	H	α-helix	trans	-71.2	-40.8	178.9	-173.9	0	0	0	0	112.8	F246 A247 D248	F246-S250 PolarHBondContact O-N 2.98Å; A247-S250 PolarHBondContact O-N 2.97Å; A247-S250 VanDerWaalsContact O-N 3.16Å; D248-S250 VanDerWaalsContact C-N 3.34Å; D248-S250 PolarHBondContact O-N 3.34Å
251	D	93.8	Very high	88.8	Confident	114 Å²	114	59.1 Å²	59.1	61%	0.61	33%	0.333	S	S	*	.	H	α-helix	trans	-82.8	-46.5	-174.6	-179.3	51.1	0	0	0	111.9	A247	A247-D251 WeakPolarHBondContact O-CB 3.34Å; A247-D251 PolarHBondContact O-N 3.2Å
252	K	94.6	Very high	88.8	Confident	69 Å²	69	59.3 Å²	59.3	30%	0.3	33%	0.334	S	S	.	.	H	α-helix	trans	-104.8	-22.6	-167.7	-49.5	-169.9	-171	-48.2	0	114	D248 E272	D248-K252 WeakPolarHBondContact O-CA 3.38Å; D248-K252 VanDerWaalsContact O-CB 3.29Å; D248-K252 WeakPolarHBondContact O-CB 3.04Å; D248-K252 PolarHBondContact O-N 2.97Å; D248-K252 WeakPolarHBondContact OD1-CE 3.21Å; K252-E272 VanDerWaalsContact CE-O 3.29Å; K252-E272 WeakPolarHBondContact CE-O 3.35Å
253	C	94.5	Very high	88.9	Confident	2 Å²	2	59 Å²	59	1%	0.014	33%	0.329	C	S	.	.			trans	-123.8	19.9	-173	-64	0	0	0	0	114.7	D248 L249 Q255 K256 C265	D248-C253 PolarHBondContact O-N 2.94Å; L249-C253 HydrophobicContact CD2-CB 4.2Å; L249-C253 CarbonylContact O-C 3.31Å; L249-C253 WeakPolarHBondContact O-CA 3.49Å; L249-C253 PolarHBondContact O-N 3.29Å; C253-Q255 PolarHBondContact O-N 3.11Å; C253-K256 CarbonylContact O-C 3.52Å; C253-K256 PolarHBondContact O-N 2.81Å; C253-C265 WeakPolarHBondContact CA-SG 3.38Å; C253-C265 HydrophobicContact CB-CB 3.76Å; C253-C265 WeakPolarHBondContact CB-SG 2.91Å; C253-C265 VanDerWaalsContact SG-C 3.58Å; C253-C265 WeakPolarHBondContact SG-CB 3.47Å; C253-C265 CovalentContact SG-SG 2.03Å; C253-C265 PolarHBondContact SG-SG 3.15Å
254	S	90.8	Very high	89.1	Confident	75 Å²	75	55 Å²	55	52%	0.524	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.6	-178.1	55.5	0	0	0	0	115	L249 T257	L249-S254 PolarHBondContact O-N 3.47Å; S254-T257 WeakPolarHBondContact O-CG2 3.28Å
255	Q	89.5	Confident	89.2	Confident	184 Å²	184	53.9 Å²	53.9	86%	0.86	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.4	178.6	-62.4	-179.3	4.2	0	0	114.2	C253	C253-Q255 PolarHBondContact O-N 3.11Å
256	K	84.5	Confident	89.2	Confident	65 Å²	65	53.9 Å²	53.9	28%	0.283	30%	0.301	S	S	.	.			trans	-117.5	67.5	-177	-73.9	-174.5	175	-177.6	0	109.5	C253 E261 E262 C265 E268	C253-K256 CarbonylContact O-C 3.52Å; C253-K256 PolarHBondContact O-N 2.81Å; K256-E261 HydrophobicContact CB-CB 4.16Å; K256-E262 WeakPolarHBondContact O-CA 3.35Å; K256-C265 HydrophobicContact CB-CB 3.92Å; K256-C265 HydrophobicContact CD-CB 3.78Å; K256-C265 HydrophobicContact CG-CB 4.47Å; K256-E268 IonicContact NZ-OE1 2.69Å; K256-E268 PolarHBondContact NZ-OE1 3.26Å; K256-E268 IonicContact NZ-OE2 3.63Å; K256-E268 PolarHBondContact NZ-OE2 2.92Å
257	T	79.3	Confident	89.5	Confident	77 Å²	77	48.7 Å²	48.7	47%	0.472	28%	0.279	S	S	.	.			trans	-109.4	0.1	-171.2	55.6	0	0	0	0	114.1	S254	S254-T257 WeakPolarHBondContact O-CG2 3.28Å
258	A	77.2	Confident	89.5	Confident	51 Å²	51	50.5 Å²	50.5	42%	0.421	28%	0.279	S	S	.	.	S	Bend	trans	-72.4	156.7	174.3	0	0	0	0	0	111	G260 E261 E262	A258-G260 PolarHBondContact O-N 2.85Å; A258-G260 VanDerWaalsContact O-N 3.11Å; A258-E261 HydrophobicContact CB-CG 4.12Å; A258-E261 WeakPolarHBondContact O-CB 3.5Å; A258-E261 PolarHBondContact O-N 2.65Å; A258-E262 VanDerWaalsContact O-OE2 3.04Å
259	V	76.8	Confident	89.5	Confident	37 Å²	37	53.4 Å²	53.4	22%	0.224	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	115.9	-178	174.3	0	0	0	0	111.4	L132 E142 L146 I233 E261	L132-V259 HydrophobicContact CD2-CG1 4.21Å; E142-V259 WeakPolarHBondContact OE1-CG2 3.09Å; L146-V259 HydrophobicContact CD1-CG2 4.36Å; I233-V259 HydrophobicContact CG2-CG1 3.31Å; I233-V259 VanDerWaalsContact O-CG1 3.26Å; I233-V259 WeakPolarHBondContact O-CG1 3.36Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 2.85Å
260	G	77.1	Confident	89.7	Confident	18 Å²	18	52 Å²	52	19%	0.186	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-19.1	177.2	0	0	0	0	0	114.3	I233 A258 E262	I233-G260 PolarHBondContact O-N 3.44Å; A258-G260 PolarHBondContact O-N 2.85Å; A258-G260 VanDerWaalsContact O-N 3.11Å; G260-E262 VanDerWaalsContact C-N 3.32Å; G260-E262 PolarHBondContact N-OE2 3.02Å
261	E	85.7	Confident	89.7	Confident	82 Å²	82	53.7 Å²	53.7	38%	0.383	28%	0.282	S	S	.	.	H	α-helix	trans	-74.2	-27.5	174.5	-60.6	-170.6	155.8	0	0	111.8	K256 A258 V259 L263 M264 C265	K256-E261 HydrophobicContact CB-CB 4.16Å; A258-E261 HydrophobicContact CB-CG 4.12Å; A258-E261 WeakPolarHBondContact O-CB 3.5Å; A258-E261 PolarHBondContact O-N 2.65Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 2.85Å; E261-L263 PolarHBondContact O-N 3.03Å; E261-M264 PolarHBondContact O-N 3.36Å; E261-C265 PolarHBondContact O-N 3.43Å
262	E	91.1	Very high	89.8	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-45.3	-174	-42.7	106.3	128	0	0	110.5	S234 V235 L249 K256 A258 G260 C265 L266	S234-E262 PolarHBondContact OG-OE1 2.96Å; V235-E262 HydrophobicContact CB-CB 4.22Å; V235-E262 HydrophobicContact CG2-CB 3.8Å; L249-E262 HydrophobicContact CD2-CB 3.93Å; K256-E262 WeakPolarHBondContact O-CA 3.35Å; A258-E262 VanDerWaalsContact O-OE2 3.04Å; G260-E262 VanDerWaalsContact C-N 3.32Å; G260-E262 PolarHBondContact N-OE2 3.02Å; E262-C265 PolarHBondContact O-N 3.48Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 3.46Å
263	L	93.9	Very high	89.9	Confident	12 Å²	12	51 Å²	51	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-39.3	177.2	-178	65.8	0	0	0	111.7	V235 E261 C265 L266 Q267 F284	V235-L263 HydrophobicContact CG2-CB 3.78Å; E261-L263 PolarHBondContact O-N 3.03Å; L263-C265 VanDerWaalsContact C-N 3.31Å; L263-C265 PolarHBondContact O-N 3.36Å; L263-L266 PolarHBondContact O-N 3.32Å; L263-Q267 WeakPolarHBondContact O-CB 3.48Å; L263-Q267 WeakPolarHBondContact O-CG 3.25Å; L263-Q267 PolarHBondContact O-N 2.92Å; L263-F284 HydrophobicContact CD1-CD1 4.21Å; L263-F284 HydrophobicContact CD2-CD1 3.58Å; L263-F284 HydrophobicContact CD2-CE1 3.39Å
264	M	92.5	Very high	90	Very high	43 Å²	43	55.8 Å²	55.8	21%	0.212	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-43.3	177.5	-164.3	-179.7	108.5	0	0	110.6	E261 Q267 E268 Y343 H346	E261-M264 PolarHBondContact O-N 3.36Å; M264-Q267 PolarHBondContact O-N 2.77Å; M264-E268 WeakPolarHBondContact CE-OE1 3.23Å; M264-E268 WeakPolarHBondContact O-CG 3.39Å; M264-E268 PolarHBondContact O-N 3.36Å; M264-Y343 HydrophobicContact SD-CD1 4.11Å; M264-Y343 HydrophobicContact SD-CE1 3.75Å; M264-H346 VanDerWaalsContact CG-CE1 3.44Å; M264-H346 WeakPolarHBondContact CG-CE1 3.33Å; M264-H346 PolarHBondContact O-CE1 3.16Å
265	C	94.8	Very high	90.3	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-47.6	174.4	179.9	0	0	0	0	112.4	C253 K256 E261 E262 L263 Q267 E268 K269	C253-C265 WeakPolarHBondContact CA-SG 3.38Å; C253-C265 HydrophobicContact CB-CB 3.76Å; C253-C265 WeakPolarHBondContact CB-SG 2.91Å; C253-C265 VanDerWaalsContact SG-C 3.58Å; C253-C265 WeakPolarHBondContact SG-CB 3.47Å; C253-C265 CovalentContact SG-SG 2.03Å; C253-C265 PolarHBondContact SG-SG 3.15Å; K256-C265 HydrophobicContact CB-CB 3.92Å; K256-C265 HydrophobicContact CD-CB 3.78Å; K256-C265 HydrophobicContact CG-CB 4.47Å; E261-C265 PolarHBondContact O-N 3.43Å; E262-C265 PolarHBondContact O-N 3.48Å; L263-C265 VanDerWaalsContact C-N 3.31Å; L263-C265 PolarHBondContact O-N 3.36Å; C265-Q267 VanDerWaalsContact C-N 3.26Å; C265-Q267 PolarHBondContact O-N 3.3Å; C265-E268 PolarHBondContact O-N 2.56Å; C265-K269 WeakPolarHBondContact O-CB 3.39Å; C265-K269 WeakPolarHBondContact O-CG 3.21Å; C265-K269 PolarHBondContact O-N 3.29Å
266	L	96.3	Very high	90.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-40.2	176.3	-70.3	174.5	0	0	0	111.5	V235 V241 C245 D248 L249 E262 L263 K269 Y270 L273 V281	V235-L266 HydrophobicContact CG2-CD1 4.46Å; V241-L266 HydrophobicContact CG1-CD1 4.01Å; C245-L266 HydrophobicContact CB-CD1 3.9Å; C245-L266 HydrophobicContact CB-CD2 4.16Å; D248-L266 HydrophobicContact CB-CD2 4.09Å; L249-L266 HydrophobicContact CD2-CD1 3.79Å; L249-L266 HydrophobicContact CD2-CD2 4.01Å; L249-L266 HydrophobicContact CD2-CG 3.85Å; L249-L266 HydrophobicContact CG-CD1 4.17Å; L249-L266 HydrophobicContact CG-CD2 4.2Å; L249-L266 HydrophobicContact CG-CG 4.44Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 3.46Å; L263-L266 PolarHBondContact O-N 3.32Å; L266-K269 CarbonylContact O-C 3.18Å; L266-K269 PolarHBondContact O-N 2.95Å; L266-Y270 PolarHBondContact O-N 3.22Å; L266-L273 HydrophobicContact CD2-CD2 3.83Å; L266-L273 WeakPolarHBondContact O-CD1 3.3Å; L266-V281 HydrophobicContact CB-CG2 3.96Å; L266-V281 HydrophobicContact CD1-CG2 4.15Å
267	Q	95.6	Very high	91.3	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-66.3	-45.2	175.8	-75.8	174.4	-23.9	0	0	112.6	L263 M264 C265 K269 Y270 V281 T285 H346 I350	L263-Q267 WeakPolarHBondContact O-CB 3.48Å; L263-Q267 WeakPolarHBondContact O-CG 3.25Å; L263-Q267 PolarHBondContact O-N 2.92Å; M264-Q267 PolarHBondContact O-N 2.77Å; C265-Q267 VanDerWaalsContact C-N 3.26Å; C265-Q267 PolarHBondContact O-N 3.3Å; Q267-K269 PolarHBondContact O-N 2.9Å; Q267-Y270 WeakPolarHBondContact O-CB 3.28Å; Q267-Y270 PolarHBondContact O-N 3.09Å; Q267-Y270 VanDerWaalsContact O-N 3.1Å; Q267-V281 HydrophobicContact CG-CG1 3.95Å; Q267-T285 PolarHBondContact NE2-OG1 2.82Å; Q267-H346 PolarHBondContact OE1-NE2 2.64Å; Q267-I350 HydrophobicContact CB-CD1 3.86Å; Q267-I350 HydrophobicContact CB-CG1 4.02Å; Q267-I350 HydrophobicContact CG-CD1 4.32Å; Q267-I350 HydrophobicContact CG-CG1 4.2Å; Q267-I350 VanDerWaalsContact O-CD1 3.28Å; Q267-I350 WeakPolarHBondContact O-CD1 3.25Å
268	E	93.8	Very high	92.2	Very high	84 Å²	84	47.4 Å²	47.4	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-55.6	-37.8	174	-74.1	171.8	-173.4	0	0	111.2	K256 M264 C265	K256-E268 IonicContact NZ-OE1 2.69Å; K256-E268 PolarHBondContact NZ-OE1 3.26Å; K256-E268 IonicContact NZ-OE2 3.63Å; K256-E268 PolarHBondContact NZ-OE2 2.92Å; M264-E268 WeakPolarHBondContact CE-OE1 3.23Å; M264-E268 WeakPolarHBondContact O-CG 3.39Å; M264-E268 PolarHBondContact O-N 3.36Å; C265-E268 PolarHBondContact O-N 2.56Å
269	K	94.4	Very high	93.1	Very high	65 Å²	65	47.6 Å²	47.6	28%	0.283	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10.1	-179.8	-64.7	-55.8	-163.5	163.3	0	114.9	C265 L266 Q267 Q271 E272 L273	C265-K269 WeakPolarHBondContact O-CB 3.39Å; C265-K269 WeakPolarHBondContact O-CG 3.21Å; C265-K269 PolarHBondContact O-N 3.29Å; L266-K269 CarbonylContact O-C 3.18Å; L266-K269 PolarHBondContact O-N 2.95Å; Q267-K269 PolarHBondContact O-N 2.9Å; K269-Q271 VanDerWaalsContact C-N 3.26Å; K269-Q271 PolarHBondContact O-N 2.97Å; K269-E272 VanDerWaalsContact NZ-CD 3.31Å; K269-E272 IonicContact NZ-OE1 3.22Å; K269-E272 PolarHBondContact NZ-OE1 3Å; K269-E272 IonicContact NZ-OE2 2.94Å; K269-E272 PolarHBondContact NZ-OE2 3.27Å; K269-E272 WeakPolarHBondContact O-CA 3.46Å; K269-E272 WeakPolarHBondContact O-CB 3.35Å; K269-E272 PolarHBondContact O-N 2.91Å; K269-L273 HydrophobicContact CB-CD2 4.12Å; K269-L273 WeakPolarHBondContact O-CG 3.42Å; K269-L273 PolarHBondContact O-N 2.71Å
270	Y	96	Very high	94	Very high	8 Å²	8	46.4 Å²	46.4	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-38.7	-168.8	175.3	-108.7	0	0	0	115.9	L266 Q267 Q278 V281 Q282 K353 D354 F357	L266-Y270 PolarHBondContact O-N 3.22Å; Q267-Y270 WeakPolarHBondContact O-CB 3.28Å; Q267-Y270 PolarHBondContact O-N 3.09Å; Q267-Y270 VanDerWaalsContact O-N 3.1Å; Y270-Q278 HydrophobicContact CD2-CG 3.93Å; Y270-Q278 HydrophobicContact CE2-CG 3.47Å; Y270-Q278 VanDerWaalsContact CE2-CG 3.47Å; Y270-Q278 PolarHBondContact O-NE2 3.36Å; Y270-V281 HydrophobicContact CD2-CG1 4.11Å; Y270-Q282 HydrophobicContact CE2-CB 3.93Å; Y270-Q282 WeakPolarHBondContact OH-CG 3.37Å; Y270-Q282 PolarHBondContact OH-NE2 2.94Å; Y270-K353 HydrophobicContact CD1-CB 3.93Å; Y270-K353 HydrophobicContact CE1-CB 4.43Å; Y270-D354 HydrophobicContact CE1-CB 4.3Å; Y270-D354 PolarHBondContact OH-OD2 2.61Å; Y270-F357 HydrophobicContact CD1-CE2 4.18Å; Y270-F357 HydrophobicContact CD2-CE2 4.49Å; Y270-F357 HydrophobicContact CD2-CZ 4.25Å; Y270-F357 AromaticContact CE1-CE2 3.88Å; Y270-F357 HydrophobicContact CE1-CE2 3.88Å; Y270-F357 AromaticContact CE1-CZ 3.98Å; Y270-F357 HydrophobicContact CE1-CZ 3.98Å; Y270-F357 HydrophobicContact CE2-CE2 4.24Å; Y270-F357 AromaticContact CE2-CZ 3.67Å; Y270-F357 HydrophobicContact CE2-CZ 3.67Å; Y270-F357 HydrophobicContact CG-CE2 4.46Å; Y270-F357 AromaticContact CZ-CE2 3.9Å; Y270-F357 AromaticContact CZ-CZ 3.49Å; Y270-F357 VanDerWaalsContact CZ-CZ 3.49Å
271	Q	92.1	Very high	94.9	Very high	119 Å²	119	45.5 Å²	45.5	56%	0.556	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.6	-179.9	-69.2	173.2	-49.2	0	0	113.8	K269 K353	K269-Q271 VanDerWaalsContact C-N 3.26Å; K269-Q271 PolarHBondContact O-N 2.97Å; Q271-K353 HydrophobicContact CG-CD 4.45Å
272	E	95.2	Very high	95.4	Very high	114 Å²	114	42.7 Å²	42.7	53%	0.533	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.9	-179.3	-60.7	171.8	-139.8	0	0	112.8	K252 K269	K252-E272 VanDerWaalsContact CE-O 3.29Å; K252-E272 WeakPolarHBondContact CE-O 3.35Å; K269-E272 VanDerWaalsContact NZ-CD 3.31Å; K269-E272 IonicContact NZ-OE1 3.22Å; K269-E272 PolarHBondContact NZ-OE1 3Å; K269-E272 IonicContact NZ-OE2 2.94Å; K269-E272 PolarHBondContact NZ-OE2 3.27Å; K269-E272 WeakPolarHBondContact O-CA 3.46Å; K269-E272 WeakPolarHBondContact O-CB 3.35Å; K269-E272 PolarHBondContact O-N 2.91Å
273	L	96.6	Very high	95.5	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.063	25%	0.249	C	C	.	.	S	Bend	trans	-72.2	155.4	-176.7	-59.8	178.4	0	0	0	112.7	D248 L266 K269 C277 Q278 V281	D248-L273 HydrophobicContact CB-CD2 3.92Å; L266-L273 HydrophobicContact CD2-CD2 3.83Å; L266-L273 WeakPolarHBondContact O-CD1 3.3Å; K269-L273 HydrophobicContact CB-CD2 4.12Å; K269-L273 WeakPolarHBondContact O-CG 3.42Å; K269-L273 PolarHBondContact O-N 2.71Å; L273-C277 HydrophobicContact CB-CB 4.34Å; L273-Q278 HydrophobicContact CB-CB 4.1Å; L273-V281 HydrophobicContact CD1-CB 4.23Å; L273-V281 HydrophobicContact CD1-CG1 4.49Å; L273-V281 HydrophobicContact CD1-CG2 3.92Å
274	E	97.4	Very high	95.5	Very high	104 Å²	104	50 Å²	50	49%	0.486	25%	0.25	S	C	.	.			trans	-63.3	148.4	169	-67	-173.1	173.4	0	0	111.1	D248 A276 C277 Q278	D248-E274 PolarHBondContact OD2-N 3.15Å; E274-A276 VanDerWaalsContact C-N 3.26Å; E274-A276 PolarHBondContact O-N 3.4Å; E274-A276 VanDerWaalsContact O-N 3.09Å; E274-C277 PolarHBondContact O-N 3.07Å; E274-Q278 WeakPolarHBondContact O-CB 3.5Å; E274-Q278 PolarHBondContact O-N 3.43Å
275	P	97.3	Very high	95.7	Very high	104 Å²	104	48.1 Å²	48.1	68%	0.675	24%	0.241	S	C	*	.	H	α-helix	trans	-54.4	-36.9	-173.3	-29	35.2	0	0	0	115	D279	P275-D279 WeakPolarHBondContact O-CB 3.41Å; P275-D279 PolarHBondContact O-N 2.94Å
276	A	96.8	Very high	95.7	Very high	61 Å²	61	49.9 Å²	49.9	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-67.6	-45.5	177.6	0	0	0	0	0	111.8	A244 E274 A280	A244-A276 HydrophobicContact CB-CB 4.47Å; E274-A276 VanDerWaalsContact C-N 3.26Å; E274-A276 PolarHBondContact O-N 3.4Å; E274-A276 VanDerWaalsContact O-N 3.09Å; A276-A280 PolarHBondContact O-N 3.29Å; A276-A280 VanDerWaalsContact O-N 3.14Å
277	C	97.7	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-43	175.8	179.8	0	0	0	0	111.4	A244 C245 D248 L273 E274 D279 A280 V281	A244-C277 WeakPolarHBondContact O-CB 3.22Å; C245-C277 VanDerWaalsContact CA-SG 3.5Å; C245-C277 HydrophobicContact CB-CB 3.89Å; C245-C277 WeakPolarHBondContact CB-SG 3.4Å; C245-C277 WeakPolarHBondContact SG-CA 3.3Å; C245-C277 WeakPolarHBondContact SG-CB 3.18Å; C245-C277 CovalentContact SG-SG 2.03Å; C245-C277 PolarHBondContact SG-SG 3.38Å; D248-C277 WeakPolarHBondContact OD2-CB 3.35Å; D248-C277 PolarHBondContact OD2-SG 2.82Å; L273-C277 HydrophobicContact CB-CB 4.34Å; E274-C277 PolarHBondContact O-N 3.07Å; C277-D279 PolarHBondContact O-N 2.84Å; C277-A280 PolarHBondContact O-N 2.78Å; C277-V281 WeakPolarHBondContact O-CB 3.4Å; C277-V281 VanDerWaalsContact O-CG2 3.32Å; C277-V281 WeakPolarHBondContact O-CG2 3.44Å; C277-V281 PolarHBondContact O-N 3.4Å
278	Q	97.4	Very high	95.4	Very high	59 Å²	59	53.1 Å²	53.1	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-46	177.7	-170.1	178.5	57	0	0	111.9	Y270 L273 E274 V281 Q282	Y270-Q278 HydrophobicContact CD2-CG 3.93Å; Y270-Q278 HydrophobicContact CE2-CG 3.47Å; Y270-Q278 VanDerWaalsContact CE2-CG 3.47Å; Y270-Q278 PolarHBondContact O-NE2 3.36Å; L273-Q278 HydrophobicContact CB-CB 4.1Å; E274-Q278 WeakPolarHBondContact O-CB 3.5Å; E274-Q278 PolarHBondContact O-N 3.43Å; Q278-V281 PolarHBondContact O-N 2.88Å; Q278-Q282 WeakPolarHBondContact O-CB 3.41Å; Q278-Q282 PolarHBondContact O-N 2.77Å
279	D	96.6	Very high	95.4	Very high	56 Å²	56	49.6 Å²	49.6	30%	0.299	25%	0.25	S	S	.	.	H	α-helix	trans	-64	-41	175.9	173.6	64.6	0	0	0	112	P275 C277 Q282 R283	P275-D279 WeakPolarHBondContact O-CB 3.41Å; P275-D279 PolarHBondContact O-N 2.94Å; C277-D279 PolarHBondContact O-N 2.84Å; D279-Q282 PolarHBondContact O-N 2.98Å; D279-R283 VanDerWaalsContact CG-NE 3.32Å; D279-R283 WeakPolarHBondContact O-CB 3.21Å; D279-R283 VanDerWaalsContact O-CG 3.25Å; D279-R283 WeakPolarHBondContact O-CG 3.32Å; D279-R283 PolarHBondContact O-N 3.18Å; D279-R283 IonicContact OD1-CZ 2.71Å; D279-R283 IonicContact OD1-NE 3.43Å; D279-R283 PolarHBondContact OD1-NE 3.31Å; D279-R283 IonicContact OD1-NH2 2.71Å; D279-R283 PolarHBondContact OD1-NH2 2.87Å; D279-R283 IonicContact OD2-CZ 3.61Å; D279-R283 IonicContact OD2-NE 2.88Å; D279-R283 PolarHBondContact OD2-NE 3.09Å; D279-R283 IonicContact OD2-NH1 3.76Å; D279-R283 IonicContact OD2-NH2 3.15Å; D279-R283 PolarHBondContact OD2-NH2 3.28Å
280	A	95.4	Very high	95.3	Very high	11 Å²	11	47.7 Å²	47.7	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-46.3	176.6	0	0	0	0	0	112.3	V241 A244 A276 C277 R283 F284	V241-A280 HydrophobicContact CG2-CB 4.16Å; A244-A280 HydrophobicContact CB-CB 3.8Å; A276-A280 PolarHBondContact O-N 3.29Å; A276-A280 VanDerWaalsContact O-N 3.14Å; C277-A280 PolarHBondContact O-N 2.78Å; A280-R283 PolarHBondContact O-N 3.31Å; A280-F284 PolarHBondContact O-N 3Å; A280-F284 VanDerWaalsContact O-N 3.11Å
281	V	96.7	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-40.3	176	173.4	0	0	0	0	110.7	V241 L266 Q267 Y270 L273 C277 Q278 F284 T285	V241-V281 HydrophobicContact CG1-CG2 4.39Å; L266-V281 HydrophobicContact CB-CG2 3.96Å; L266-V281 HydrophobicContact CD1-CG2 4.15Å; Q267-V281 HydrophobicContact CG-CG1 3.95Å; Y270-V281 HydrophobicContact CD2-CG1 4.11Å; L273-V281 HydrophobicContact CD1-CB 4.23Å; L273-V281 HydrophobicContact CD1-CG1 4.49Å; L273-V281 HydrophobicContact CD1-CG2 3.92Å; C277-V281 WeakPolarHBondContact O-CB 3.4Å; C277-V281 VanDerWaalsContact O-CG2 3.32Å; C277-V281 WeakPolarHBondContact O-CG2 3.44Å; C277-V281 PolarHBondContact O-N 3.4Å; Q278-V281 PolarHBondContact O-N 2.88Å; V281-F284 PolarHBondContact O-N 3.08Å; V281-T285 VanDerWaalsContact O-CB 3.25Å; V281-T285 WeakPolarHBondContact O-CB 3.45Å; V281-T285 PolarHBondContact O-N 3.47Å; V281-T285 PolarHBondContact O-OG1 2.87Å
282	Q	96.6	Very high	95.2	Very high	23 Å²	23	42.4 Å²	42.4	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-52.3	176.4	-176.7	-171.6	104.3	0	0	110.8	Y270 Q278 D279 F284 T285 M286 R356 F357	Y270-Q282 HydrophobicContact CE2-CB 3.93Å; Y270-Q282 WeakPolarHBondContact OH-CG 3.37Å; Y270-Q282 PolarHBondContact OH-NE2 2.94Å; Q278-Q282 WeakPolarHBondContact O-CB 3.41Å; Q278-Q282 PolarHBondContact O-N 2.77Å; D279-Q282 PolarHBondContact O-N 2.98Å; Q282-F284 VanDerWaalsContact C-N 3.29Å; Q282-F284 PolarHBondContact O-N 3.33Å; Q282-T285 PolarHBondContact O-N 2.94Å; Q282-M286 HydrophobicContact CG-SD 4.03Å; Q282-M286 VanDerWaalsContact O-CB 3.31Å; Q282-M286 WeakPolarHBondContact O-CB 3.4Å; Q282-M286 WeakPolarHBondContact O-CG 3.38Å; Q282-M286 PolarHBondContact O-N 3.13Å; Q282-R356 VanDerWaalsContact CD-CZ 3.47Å; Q282-R356 VanDerWaalsContact OE1-CZ 3.32Å; Q282-F357 HydrophobicContact CB-CE1 4.08Å; Q282-F357 HydrophobicContact CB-CZ 4.18Å; Q282-F357 HydrophobicContact CG-CE1 3.63Å; Q282-F357 HydrophobicContact CG-CZ 3.99Å
283	R	93.7	Very high	95.1	Very high	155 Å²	155	38.2 Å²	38.2	59%	0.585	20%	0.196	S	C	*	.	H	α-helix	trans	-58.5	-41.7	-179.7	-72.2	171.9	-170.4	-172.6	3.6	111.9	D279 A280 M286 L287	D279-R283 VanDerWaalsContact CG-NE 3.32Å; D279-R283 WeakPolarHBondContact O-CB 3.21Å; D279-R283 VanDerWaalsContact O-CG 3.25Å; D279-R283 WeakPolarHBondContact O-CG 3.32Å; D279-R283 PolarHBondContact O-N 3.18Å; D279-R283 IonicContact OD1-CZ 2.71Å; D279-R283 IonicContact OD1-NE 3.43Å; D279-R283 PolarHBondContact OD1-NE 3.31Å; D279-R283 IonicContact OD1-NH2 2.71Å; D279-R283 PolarHBondContact OD1-NH2 2.87Å; D279-R283 IonicContact OD2-CZ 3.61Å; D279-R283 IonicContact OD2-NE 2.88Å; D279-R283 PolarHBondContact OD2-NE 3.09Å; D279-R283 IonicContact OD2-NH1 3.76Å; D279-R283 IonicContact OD2-NH2 3.15Å; D279-R283 PolarHBondContact OD2-NH2 3.28Å; A280-R283 PolarHBondContact O-N 3.31Å; R283-M286 WeakPolarHBondContact O-CB 3.43Å; R283-L287 WeakPolarHBondContact O-CG 2.98Å; R283-L287 PolarHBondContact O-N 3.12Å
284	F	94	Very high	94.9	Very high	19 Å²	19	37.7 Å²	37.7	8%	0.083	19%	0.193	C	C	.	.	H	α-helix	trans	-73.1	-42.4	179.1	-169	-103	0	0	0	112.8	A232 M238 V241 L263 A280 V281 Q282 M286 L287 Q288 L294	A232-F284 HydrophobicContact CB-CZ 3.75Å; M238-F284 HydrophobicContact CE-CB 4.07Å; M238-F284 HydrophobicContact CE-CD1 3.45Å; M238-F284 VanDerWaalsContact CE-CD1 3.45Å; M238-F284 HydrophobicContact CE-CD2 3.29Å; M238-F284 HydrophobicContact CE-CE1 3.54Å; M238-F284 HydrophobicContact CE-CE2 3.4Å; M238-F284 VanDerWaalsContact CE-CE2 3.4Å; M238-F284 HydrophobicContact CE-CG 3.29Å; M238-F284 HydrophobicContact CE-CZ 3.51Å; M238-F284 HydrophobicContact SD-CD1 4.49Å; M238-F284 HydrophobicContact SD-CE1 4.04Å; M238-F284 HydrophobicContact SD-CE2 4.14Å; M238-F284 HydrophobicContact SD-CZ 3.84Å; V241-F284 HydrophobicContact CG2-CB 4.39Å; L263-F284 HydrophobicContact CD1-CD1 4.21Å; L263-F284 HydrophobicContact CD2-CD1 3.58Å; L263-F284 HydrophobicContact CD2-CE1 3.39Å; A280-F284 PolarHBondContact O-N 3Å; A280-F284 VanDerWaalsContact O-N 3.11Å; V281-F284 PolarHBondContact O-N 3.08Å; Q282-F284 VanDerWaalsContact C-N 3.29Å; Q282-F284 PolarHBondContact O-N 3.33Å; F284-M286 PolarHBondContact O-N 3.4Å; F284-L287 HydrophobicContact CD2-CD1 4.49Å; F284-L287 WeakPolarHBondContact O-CA 3.46Å; F284-L287 WeakPolarHBondContact O-CB 3.27Å; F284-L287 PolarHBondContact O-N 2.98Å; F284-Q288 HydrophobicContact CD1-CG 3.93Å; F284-Q288 HydrophobicContact CE1-CG 3.63Å; F284-Q288 HydrophobicContact CZ-CG 4.27Å; F284-Q288 PolarHBondContact O-N 2.96Å; F284-L294 HydrophobicContact CZ-CB 4.43Å
285	T	95.7	Very high	94.6	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-35.7	175.8	-55	0	0	0	0	111	Q267 V281 Q282 L287 Q288 S289 I350 F357	Q267-T285 PolarHBondContact NE2-OG1 2.82Å; V281-T285 VanDerWaalsContact O-CB 3.25Å; V281-T285 WeakPolarHBondContact O-CB 3.45Å; V281-T285 PolarHBondContact O-N 3.47Å; V281-T285 PolarHBondContact O-OG1 2.87Å; Q282-T285 PolarHBondContact O-N 2.94Å; T285-L287 VanDerWaalsContact C-N 3.26Å; T285-L287 PolarHBondContact O-N 2.95Å; T285-Q288 PolarHBondContact O-N 2.79Å; T285-S289 PolarHBondContact O-N 2.63Å; T285-I350 HydrophobicContact CG2-CG1 4.01Å; T285-F357 HydrophobicContact CG2-CB 4.23Å; T285-F357 HydrophobicContact CG2-CD1 3.62Å; T285-F357 HydrophobicContact CG2-CD2 4.04Å; T285-F357 HydrophobicContact CG2-CE1 3.9Å; T285-F357 HydrophobicContact CG2-CE2 4.27Å; T285-F357 HydrophobicContact CG2-CG 3.7Å; T285-F357 HydrophobicContact CG2-CZ 4.2Å
286	M	94.2	Very high	94.2	Very high	42 Å²	42	30.1 Å²	30.1	21%	0.207	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-25.1	172.5	-79.6	177.6	56.8	0	0	114.7	Q282 R283 F284 S289 R356 F357 R362	Q282-M286 HydrophobicContact CG-SD 4.03Å; Q282-M286 VanDerWaalsContact O-CB 3.31Å; Q282-M286 WeakPolarHBondContact O-CB 3.4Å; Q282-M286 WeakPolarHBondContact O-CG 3.38Å; Q282-M286 PolarHBondContact O-N 3.13Å; R283-M286 WeakPolarHBondContact O-CB 3.43Å; F284-M286 PolarHBondContact O-N 3.4Å; M286-S289 PolarHBondContact O-OG 3.21Å; M286-R356 HydrophobicContact CG-CB 4.09Å; M286-R356 HydrophobicContact SD-CB 3.99Å; M286-F357 HydrophobicContact CG-CD1 3.98Å; M286-F357 HydrophobicContact CG-CE1 4.15Å; M286-R362 PolarHBondContact O-NH1 3.49Å; M286-R362 VanDerWaalsContact O-NH1 3.16Å; M286-R362 PolarHBondContact O-NH2 3.14Å
287	L	92.1	Very high	93.7	Very high	60 Å²	60	28.1 Å²	28.1	31%	0.314	13%	0.133	S	C	.	.	H	α-helix	trans	-83.1	-42.7	172.7	-66.2	171.2	0	0	0	110.4	M228 R283 F284 T285 S289 R290 D291 L294	M228-L287 HydrophobicContact CE-CD1 3.86Å; R283-L287 WeakPolarHBondContact O-CG 2.98Å; R283-L287 PolarHBondContact O-N 3.12Å; F284-L287 HydrophobicContact CD2-CD1 4.49Å; F284-L287 WeakPolarHBondContact O-CA 3.46Å; F284-L287 WeakPolarHBondContact O-CB 3.27Å; F284-L287 PolarHBondContact O-N 2.98Å; T285-L287 VanDerWaalsContact C-N 3.26Å; T285-L287 PolarHBondContact O-N 2.95Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.12Å; L287-R290 WeakPolarHBondContact O-CB 3.37Å; L287-R290 PolarHBondContact O-N 2.76Å; L287-D291 PolarHBondContact O-N 2.95Å; L287-L294 HydrophobicContact CB-CD1 3.76Å
288	Q	93.9	Very high	93.4	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.065	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-35.6	174.2	-68.8	-173.4	-50.1	0	0	112.7	F284 T285 R290 D291 L294	F284-Q288 HydrophobicContact CD1-CG 3.93Å; F284-Q288 HydrophobicContact CE1-CG 3.63Å; F284-Q288 HydrophobicContact CZ-CG 4.27Å; F284-Q288 PolarHBondContact O-N 2.96Å; T285-Q288 PolarHBondContact O-N 2.79Å; Q288-R290 PolarHBondContact O-N 2.69Å; Q288-D291 CarbonylContact O-C 3.18Å; Q288-D291 VanDerWaalsContact O-C 3.28Å; Q288-L294 HydrophobicContact CG-CB 3.92Å; Q288-L294 PolarHBondContact NE2-O 2.76Å
289	S	94	Very high	93.2	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.07	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.7	176.6	72.5	0	0	0	0	113.9	T285 M286 L287 G321 F357 F359	T285-S289 PolarHBondContact O-N 2.63Å; M286-S289 PolarHBondContact O-OG 3.21Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.12Å; S289-G321 WeakPolarHBondContact O-CA 3.44Å; S289-F357 WeakPolarHBondContact CB-O 3.47Å; S289-F359 WeakPolarHBondContact O-CB 3.47Å
290	R	92.6	Very high	92.8	Very high	26 Å²	26	26 Å²	26	10%	0.098	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-45.3	172.6	-174.9	179.6	-175	165.7	-2	111.4	Y208 D210 L287 Q288 N320 G321 F359	Y208-R290 PolarHBondContact O-NH1 3.28Å; Y208-R290 PolarHBondContact O-NH2 3.09Å; D210-R290 IonicContact OD1-CZ 2.79Å; D210-R290 IonicContact OD1-NH2 3.72Å; D210-R290 PolarHBondContact OD1-NH2 3.25Å; D210-R290 IonicContact OD2-NH2 3.91Å; L287-R290 WeakPolarHBondContact O-CB 3.37Å; L287-R290 PolarHBondContact O-N 2.76Å; Q288-R290 PolarHBondContact O-N 2.69Å; R290-N320 PolarHBondContact NE-OD1 3.36Å; R290-N320 PolarHBondContact NH2-OD1 2.87Å; R290-N320 CarbonylContact O-C 3.26Å; R290-N320 VanDerWaalsContact O-CA 3.25Å; R290-N320 WeakPolarHBondContact O-CA 3.31Å; R290-N320 PolarHBondContact O-N 3.01Å; R290-N320 VanDerWaalsContact O-N 3.07Å; R290-G321 PolarHBondContact O-N 3.07Å; R290-G321 VanDerWaalsContact O-N 3.09Å; R290-F359 HydrophobicContact CB-CB 4.29Å; R290-F359 HydrophobicContact CB-CD2 3.59Å; R290-F359 HydrophobicContact CB-CE2 4.16Å; R290-F359 HydrophobicContact CB-CG 4.02Å; R290-F359 VanDerWaalsContact CD-CE2 3.42Å; R290-F359 HydrophobicContact CG-CD1 4.47Å; R290-F359 HydrophobicContact CG-CD2 3.53Å; R290-F359 HydrophobicContact CG-CE2 3.63Å; R290-F359 HydrophobicContact CG-CG 3.98Å; R290-F359 HydrophobicContact CG-CZ 4.14Å
291	D	92.9	Very high	92.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.126	C	C	.	.			trans	-123.5	103.8	179.6	-171.9	-1.4	0	0	0	112.5	Y208 L287 Q288 R293 L294 D319	Y208-D291 HydrophobicContact CE1-CB 3.97Å; L287-D291 PolarHBondContact O-N 2.95Å; Q288-D291 CarbonylContact O-C 3.18Å; Q288-D291 VanDerWaalsContact O-C 3.28Å; D291-R293 PolarHBondContact O-N 2.82Å; D291-R293 VanDerWaalsContact O-N 3.08Å; D291-R293 VanDerWaalsContact OD1-CB 3.22Å; D291-R293 WeakPolarHBondContact OD1-CB 3.48Å; D291-R293 WeakPolarHBondContact OD1-CG 3.45Å; D291-R293 IonicContact OD1-CZ 2.82Å; D291-R293 PolarHBondContact OD1-N 3.22Å; D291-R293 IonicContact OD1-NE 3.65Å; D291-R293 PolarHBondContact OD1-NE 3.33Å; D291-R293 IonicContact OD2-NE 3.99Å; D291-L294 HydrophobicContact CB-CD1 4.39Å; D291-L294 HydrophobicContact CB-CG 4.28Å; D291-L294 WeakPolarHBondContact O-CB 3.26Å; D291-L294 PolarHBondContact O-N 2.95Å; D291-D319 WeakPolarHBondContact CA-OD1 3.43Å
292	Y	93.4	Very high	92.5	Very high	14 Å²	14	26.4 Å²	26.4	6%	0.055	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.7	-24.7	179.6	83.9	-84.9	0	0	0	113.2	L294 N295 L298 T299 I306 D319 M323	Y292-L294 PolarHBondContact O-N 2.71Å; Y292-N295 WeakPolarHBondContact O-CA 3.45Å; Y292-N295 WeakPolarHBondContact O-CB 3.49Å; Y292-N295 PolarHBondContact O-N 2.79Å; Y292-L298 HydrophobicContact CD2-CD2 4.34Å; Y292-T299 WeakPolarHBondContact CD2-OG1 3.27Å; Y292-T299 HydrophobicContact CE2-CG2 3.98Å; Y292-T299 PolarHBondContact O-OG1 3.4Å; Y292-I306 HydrophobicContact CD2-CD1 4.43Å; Y292-I306 HydrophobicContact CE2-CD1 3.87Å; Y292-D319 HydrophobicContact CD1-CB 4.09Å; Y292-D319 WeakPolarHBondContact CD1-OD2 3.35Å; Y292-D319 HydrophobicContact CE1-CB 4.43Å; Y292-D319 PolarHBondContact N-OD2 3.26Å; Y292-D319 VanDerWaalsContact N-OD2 3.14Å; Y292-M323 HydrophobicContact CD1-CB 3.42Å; Y292-M323 VanDerWaalsContact CD1-CB 3.42Å; Y292-M323 HydrophobicContact CD1-CE 4.24Å; Y292-M323 HydrophobicContact CD1-CG 3.5Å; Y292-M323 HydrophobicContact CD2-CB 4.46Å; Y292-M323 HydrophobicContact CD2-CG 3.69Å; Y292-M323 HydrophobicContact CE1-CB 3.95Å; Y292-M323 HydrophobicContact CE1-CE 3.57Å; Y292-M323 HydrophobicContact CE1-CG 3.81Å; Y292-M323 HydrophobicContact CE2-CE 4.21Å; Y292-M323 HydrophobicContact CE2-CG 4.01Å; Y292-M323 HydrophobicContact CG-CB 3.7Å; Y292-M323 HydrophobicContact CG-CG 3.42Å; Y292-M323 VanDerWaalsContact CG-CG 3.42Å
293	R	92.1	Very high	92.4	Very high	27 Å²	27	33.2 Å²	33.2	10%	0.102	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-67.1	-17	179.8	-64.6	161.9	-98.4	-168.7	-29.9	112.1	R229 D291 Q296 E316 E317	R229-R293 HydrophobicContact CG-CB 4.06Å; D291-R293 PolarHBondContact O-N 2.82Å; D291-R293 VanDerWaalsContact O-N 3.08Å; D291-R293 VanDerWaalsContact OD1-CB 3.22Å; D291-R293 WeakPolarHBondContact OD1-CB 3.48Å; D291-R293 WeakPolarHBondContact OD1-CG 3.45Å; D291-R293 IonicContact OD1-CZ 2.82Å; D291-R293 PolarHBondContact OD1-N 3.22Å; D291-R293 IonicContact OD1-NE 3.65Å; D291-R293 PolarHBondContact OD1-NE 3.33Å; D291-R293 IonicContact OD2-NE 3.99Å; R293-Q296 PolarHBondContact O-NE2 3.35Å; R293-E316 PolarHBondContact NH2-O 2.98Å; R293-E317 PolarHBondContact NH1-O 3.12Å; R293-E317 PolarHBondContact NH2-O 3.23Å
294	L	92.6	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-79.2	-5.6	170.7	-55.6	-179.1	0	0	0	112.4	M228 R229 A232 F284 L287 Q288 D291 Y292	M228-L294 HydrophobicContact CB-CD2 3.81Å; M228-L294 HydrophobicContact CE-CD1 4.27Å; R229-L294 HydrophobicContact CG-CD2 4.19Å; A232-L294 HydrophobicContact CB-CB 4.38Å; A232-L294 HydrophobicContact CB-CD2 4.44Å; A232-L294 WeakPolarHBondContact CB-O 3.35Å; F284-L294 HydrophobicContact CZ-CB 4.43Å; L287-L294 HydrophobicContact CB-CD1 3.76Å; Q288-L294 HydrophobicContact CG-CB 3.92Å; Q288-L294 PolarHBondContact NE2-O 2.76Å; D291-L294 HydrophobicContact CB-CD1 4.39Å; D291-L294 HydrophobicContact CB-CG 4.28Å; D291-L294 WeakPolarHBondContact O-CB 3.26Å; D291-L294 PolarHBondContact O-N 2.95Å; Y292-L294 PolarHBondContact O-N 2.71Å
295	N	91.7	Very high	92.6	Very high	20 Å²	20	27.2 Å²	27.2	11%	0.107	14%	0.138	C	C	.	.			trans	-104.5	82.1	165.7	-169	-19.6	0	0	0	108.6	Y292 A297 L298 T299	Y292-N295 WeakPolarHBondContact O-CA 3.45Å; Y292-N295 WeakPolarHBondContact O-CB 3.49Å; Y292-N295 PolarHBondContact O-N 2.79Å; N295-A297 VanDerWaalsContact C-N 3.33Å; N295-A297 PolarHBondContact O-N 3.37Å; N295-L298 HydrophobicContact CB-CB 3.99Å; N295-L298 PolarHBondContact O-N 3.05Å; N295-L298 WeakPolarHBondContact OD1-CB 3.42Å; N295-L298 PolarHBondContact OD1-N 3.41Å; N295-L298 VanDerWaalsContact OD1-N 3.14Å; N295-T299 WeakPolarHBondContact O-CB 3.49Å; N295-T299 PolarHBondContact O-N 3.34Å; N295-T299 PolarHBondContact O-OG1 2.91Å
296	Q	88.5	Confident	92.6	Very high	29 Å²	29	27.5 Å²	27.5	14%	0.136	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-40.1	-174.4	-74.2	-70.3	-36	0	0	112.3	I233 R293 T299 K300	I233-Q296 HydrophobicContact CG1-CB 4.31Å; I233-Q296 HydrophobicContact CG1-CG 3.81Å; R293-Q296 PolarHBondContact O-NE2 3.35Å; Q296-T299 PolarHBondContact O-N 3.45Å; Q296-K300 WeakPolarHBondContact O-CB 3.48Å; Q296-K300 WeakPolarHBondContact O-CG 3.48Å; Q296-K300 PolarHBondContact O-N 2.96Å
297	A	86.4	Confident	92.7	Very high	20 Å²	20	32.8 Å²	32.8	17%	0.165	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-44.8	177.7	0	0	0	0	0	112	N295 A301 Y343	N295-A297 VanDerWaalsContact C-N 3.33Å; N295-A297 PolarHBondContact O-N 3.37Å; A297-A301 VanDerWaalsContact O-CB 3.23Å; A297-A301 WeakPolarHBondContact O-CB 3.31Å; A297-A301 PolarHBondContact O-N 3.44Å; A297-Y343 HydrophobicContact CB-CD1 4.25Å; A297-Y343 HydrophobicContact CB-CE1 3.61Å; A297-Y343 HydrophobicContact CB-CE2 4.08Å
298	L	92	Very high	92.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-48.8	172.5	177.2	142	0	0	0	111.5	Y292 N295 K300 A301 C302 L324 L327 V344 T347	Y292-L298 HydrophobicContact CD2-CD2 4.34Å; N295-L298 HydrophobicContact CB-CB 3.99Å; N295-L298 PolarHBondContact O-N 3.05Å; N295-L298 WeakPolarHBondContact OD1-CB 3.42Å; N295-L298 PolarHBondContact OD1-N 3.41Å; N295-L298 VanDerWaalsContact OD1-N 3.14Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.02Å; L298-A301 PolarHBondContact O-N 3.38Å; L298-C302 WeakPolarHBondContact O-CB 3.4Å; L298-C302 PolarHBondContact O-N 3.31Å; L298-C302 PolarHBondContact O-SG 2.91Å; L298-L324 HydrophobicContact CD1-CD2 3.96Å; L298-L324 HydrophobicContact CD2-CD2 4.22Å; L298-L327 HydrophobicContact CD2-CD1 3.71Å; L298-L327 HydrophobicContact CG-CD1 4.34Å; L298-V344 HydrophobicContact CD1-CG2 4.44Å; L298-T347 WeakPolarHBondContact CD1-OG1 3.45Å
299	T	91.6	Very high	93.1	Very high	29 Å²	29	37 Å²	37	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-56.1	-42.7	-178	-62.5	0	0	0	0	111.6	Y292 N295 Q296 R303	Y292-T299 WeakPolarHBondContact CD2-OG1 3.27Å; Y292-T299 HydrophobicContact CE2-CG2 3.98Å; Y292-T299 PolarHBondContact O-OG1 3.4Å; N295-T299 WeakPolarHBondContact O-CB 3.49Å; N295-T299 PolarHBondContact O-N 3.34Å; N295-T299 PolarHBondContact O-OG1 2.91Å; Q296-T299 PolarHBondContact O-N 3.45Å; T299-R303 PolarHBondContact O-N 3.49Å
300	K	88.5	Confident	93.2	Very high	40 Å²	40	36.5 Å²	36.5	17%	0.174	18%	0.178	C	C	.	.	H	α-helix	trans	-76.3	-46.3	-179.3	-70.4	170.6	-178.2	-178.3	0	112.1	D133 Q296 L298 C302 R303	D133-K300 VanDerWaalsContact CG-CD 3.49Å; D133-K300 WeakPolarHBondContact OD1-CD 3.2Å; D133-K300 WeakPolarHBondContact OD1-CE 3.43Å; D133-K300 IonicContact OD1-NZ 3.83Å; D133-K300 PolarHBondContact OD1-NZ 2.99Å; D133-K300 WeakPolarHBondContact OD2-CD 3.42Å; D133-K300 WeakPolarHBondContact OD2-CE 3.47Å; D133-K300 IonicContact OD2-NZ 3.61Å; D133-K300 PolarHBondContact OD2-NZ 3.49Å; Q296-K300 WeakPolarHBondContact O-CB 3.48Å; Q296-K300 WeakPolarHBondContact O-CG 3.48Å; Q296-K300 PolarHBondContact O-N 2.96Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.02Å; K300-C302 PolarHBondContact O-N 2.93Å; K300-R303 WeakPolarHBondContact O-CB 3.41Å; K300-R303 PolarHBondContact O-N 3.33Å
301	A	91.4	Very high	93.2	Very high	20 Å²	20	38.8 Å²	38.8	17%	0.165	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-36.1	178	0	0	0	0	0	112	A297 L298 K339 C340 Y343	A297-A301 VanDerWaalsContact O-CB 3.23Å; A297-A301 WeakPolarHBondContact O-CB 3.31Å; A297-A301 PolarHBondContact O-N 3.44Å; L298-A301 PolarHBondContact O-N 3.38Å; A301-K339 HydrophobicContact CB-CB 4.37Å; A301-K339 HydrophobicContact CB-CD 4.48Å; A301-K339 HydrophobicContact CB-CG 4.35Å; A301-C340 HydrophobicContact CB-CB 4.22Å; A301-C340 WeakPolarHBondContact O-CB 3.35Å; A301-Y343 HydrophobicContact CB-CD2 3.58Å; A301-Y343 HydrophobicContact CB-CE2 3.9Å
302	C	95.3	Very high	93.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.3	-175	-60.3	0	0	0	0	114.9	L298 K300 A304 V305 I306 L327 C340	L298-C302 WeakPolarHBondContact O-CB 3.4Å; L298-C302 PolarHBondContact O-N 3.31Å; L298-C302 PolarHBondContact O-SG 2.91Å; K300-C302 PolarHBondContact O-N 2.93Å; C302-A304 PolarHBondContact O-N 2.69Å; C302-A304 VanDerWaalsContact O-N 3.09Å; C302-V305 PolarHBondContact O-N 3.3Å; C302-I306 HydrophobicContact CB-CD1 4.01Å; C302-I306 HydrophobicContact CB-CG1 4.17Å; C302-I306 WeakPolarHBondContact O-CG1 3.07Å; C302-I306 PolarHBondContact O-N 3.09Å; C302-L327 HydrophobicContact CB-CD1 4.37Å; C302-L327 HydrophobicContact CB-CD2 3.99Å; C302-C340 WeakPolarHBondContact CA-SG 3.22Å; C302-C340 HydrophobicContact CB-CB 4.06Å; C302-C340 WeakPolarHBondContact CB-SG 3.01Å; C302-C340 VanDerWaalsContact SG-CA 3.56Å; C302-C340 WeakPolarHBondContact SG-CB 3.46Å; C302-C340 CovalentContact SG-SG 2.02Å; C302-C340 PolarHBondContact SG-SG 3.49Å
303	R	94.1	Very high	93.2	Very high	166 Å²	166	43.6 Å²	43.6	63%	0.626	22%	0.22	S	C	*	.	H	α-helix	trans	-49.2	-42.1	-175.1	-173.6	-176	-68.1	177.4	-1.8	113.6	T299 K300 K307	T299-R303 PolarHBondContact O-N 3.49Å; K300-R303 WeakPolarHBondContact O-CB 3.41Å; K300-R303 PolarHBondContact O-N 3.33Å; R303-K307 WeakPolarHBondContact O-CB 3.41Å; R303-K307 PolarHBondContact O-N 2.89Å
304	A	95.1	Very high	93.1	Very high	49 Å²	49	43.6 Å²	43.6	41%	0.405	23%	0.225	S	C	.	.	H	α-helix	trans	-66	-44	180	0	0	0	0	0	112.7	C302 T308 E335	C302-A304 PolarHBondContact O-N 2.69Å; C302-A304 VanDerWaalsContact O-N 3.09Å; A304-T308 WeakPolarHBondContact O-CB 3.42Å; A304-T308 PolarHBondContact O-N 3.37Å; A304-T308 VanDerWaalsContact O-N 3.15Å; A304-T308 PolarHBondContact O-OG1 3.2Å; A304-E335 HydrophobicContact CB-CB 4.27Å
305	V	96.5	Very high	92.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-44.8	177.5	-177	0	0	0	0	110.2	C302 K307 T308 Y309 L327 H330 E335 M336	C302-V305 PolarHBondContact O-N 3.3Å; V305-K307 VanDerWaalsContact C-N 3.33Å; V305-K307 PolarHBondContact O-N 2.89Å; V305-T308 PolarHBondContact O-N 3.29Å; V305-Y309 HydrophobicContact CG1-CD2 3.91Å; V305-Y309 PolarHBondContact O-N 3.01Å; V305-L327 HydrophobicContact CB-CD2 4.16Å; V305-L327 HydrophobicContact CG1-CD2 3.82Å; V305-H330 HydrophobicContact CG1-CB 4.2Å; V305-E335 HydrophobicContact CG2-CB 4.1Å; V305-M336 HydrophobicContact CB-CE 4.21Å; V305-M336 HydrophobicContact CG1-CE 3.75Å; V305-M336 HydrophobicContact CG2-CB 4.1Å; V305-M336 HydrophobicContact CG2-CE 3.78Å; V305-M336 HydrophobicContact CG2-SD 4.15Å
306	I	96.2	Very high	92.6	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-56.7	-49.2	178.3	-67.1	170.9	0	0	0	110.2	Y292 C302 T308 C310 Q311 A314 M323 L327	Y292-I306 HydrophobicContact CD2-CD1 4.43Å; Y292-I306 HydrophobicContact CE2-CD1 3.87Å; C302-I306 HydrophobicContact CB-CD1 4.01Å; C302-I306 HydrophobicContact CB-CG1 4.17Å; C302-I306 WeakPolarHBondContact O-CG1 3.07Å; C302-I306 PolarHBondContact O-N 3.09Å; I306-T308 VanDerWaalsContact C-N 3.31Å; I306-T308 PolarHBondContact O-N 3.49Å; I306-C310 CarbonylContact O-C 3.54Å; I306-C310 WeakPolarHBondContact O-CA 3.07Å; I306-C310 PolarHBondContact O-N 3.38Å; I306-Q311 WeakPolarHBondContact O-CA 3.45Å; I306-Q311 PolarHBondContact O-N 3.36Å; I306-A314 HydrophobicContact CG2-CB 3.89Å; I306-M323 HydrophobicContact CB-SD 4.5Å; I306-M323 HydrophobicContact CD1-SD 4.43Å; I306-M323 HydrophobicContact CG1-SD 3.9Å; I306-M323 HydrophobicContact CG2-CE 3.75Å; I306-M323 HydrophobicContact CG2-SD 4.11Å; I306-L327 HydrophobicContact CG1-CD2 3.96Å
307	K	95.9	Very high	92.3	Very high	153 Å²	153	59 Å²	59	67%	0.665	30%	0.296	S	S	*	.	H	α-helix	trans	-63	-36.2	-179.9	-175.7	-179.8	177.1	-176.5	0	113	R303 V305	R303-K307 WeakPolarHBondContact O-CB 3.41Å; R303-K307 PolarHBondContact O-N 2.89Å; V305-K307 VanDerWaalsContact C-N 3.33Å; V305-K307 PolarHBondContact O-N 2.89Å
308	T	96.8	Very high	92.1	Very high	78 Å²	78	59 Å²	59	48%	0.479	29%	0.294	S	S	.	.	H	α-helix	trans	-86.6	-40.6	-172	-52.6	0	0	0	0	112.2	A304 V305 I306	A304-T308 WeakPolarHBondContact O-CB 3.42Å; A304-T308 PolarHBondContact O-N 3.37Å; A304-T308 VanDerWaalsContact O-N 3.15Å; A304-T308 PolarHBondContact O-OG1 3.2Å; V305-T308 PolarHBondContact O-N 3.29Å; I306-T308 VanDerWaalsContact C-N 3.31Å; I306-T308 PolarHBondContact O-N 3.49Å
309	Y	96.7	Very high	92	Very high	83 Å²	83	59 Å²	59	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-117.4	-27.7	-169.8	-59.3	-73.6	0	0	0	114.3	V305 H330 A333 E335	V305-Y309 HydrophobicContact CG1-CD2 3.91Å; V305-Y309 PolarHBondContact O-N 3.01Å; Y309-H330 AromaticContact CD1-CE1 3.86Å; Y309-H330 AromaticContact CD1-ND1 3.87Å; Y309-H330 AromaticContact CG-ND1 3.99Å; Y309-A333 HydrophobicContact CD2-CB 4.31Å; Y309-A333 HydrophobicContact CE2-CB 3.65Å; Y309-E335 WeakPolarHBondContact CE2-OE2 3.38Å; Y309-E335 PolarHBondContact OH-OE2 3.05Å
310	C	96	Very high	92	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.296	C	S	.	.			trans	-119.5	20.1	-170.3	-50.2	0	0	0	0	113.5	I306 S312 F313 A314 M323 C326	I306-C310 CarbonylContact O-C 3.54Å; I306-C310 WeakPolarHBondContact O-CA 3.07Å; I306-C310 PolarHBondContact O-N 3.38Å; C310-S312 PolarHBondContact O-N 3.29Å; C310-F313 HydrophobicContact CB-CD2 4.27Å; C310-F313 PolarHBondContact O-N 2.97Å; C310-A314 PolarHBondContact O-N 3.34Å; C310-M323 HydrophobicContact CB-CE 4.15Å; C310-M323 HydrophobicContact CB-SD 3.42Å; C310-M323 WeakPolarHBondContact CB-SD 3.26Å; C310-M323 WeakPolarHBondContact O-CE 3.38Å; C310-C326 WeakPolarHBondContact CA-SG 3.39Å; C310-C326 HydrophobicContact CB-CB 3.86Å; C310-C326 WeakPolarHBondContact CB-SG 3.05Å; C310-C326 WeakPolarHBondContact SG-CB 3.47Å; C310-C326 CovalentContact SG-SG 2.04Å; C310-C326 PolarHBondContact SG-SG 3.37Å
311	Q	94.3	Very high	92.1	Very high	75 Å²	75	58 Å²	58	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-29.1	-170.5	-177.3	59.9	60.8	0	0	113.4	I306 A314 Q315	I306-Q311 WeakPolarHBondContact O-CA 3.45Å; I306-Q311 PolarHBondContact O-N 3.36Å; Q311-A314 PolarHBondContact O-N 2.92Å; Q311-Q315 WeakPolarHBondContact O-CG 3.32Å; Q311-Q315 PolarHBondContact O-N 2.04Å
312	S	92.9	Very high	92.3	Very high	65 Å²	65	59.3 Å²	59.3	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-58.5	-49.5	175.9	50	0	0	0	0	111.4	C310 A314 Q315	C310-S312 PolarHBondContact O-N 3.29Å; S312-A314 VanDerWaalsContact C-N 3.27Å; S312-A314 PolarHBondContact O-N 3.31Å; S312-Q315 PolarHBondContact O-N 3.37Å
313	F	92.5	Very high	92.3	Very high	51 Å²	51	59.3 Å²	59.3	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-70.7	-24.5	-179.5	-51.1	-58	0	0	0	112.5	C310 Q315 D322 M323 C326	C310-F313 HydrophobicContact CB-CD2 4.27Å; C310-F313 PolarHBondContact O-N 2.97Å; F313-Q315 VanDerWaalsContact C-N 3.29Å; F313-Q315 PolarHBondContact O-N 2.76Å; F313-D322 HydrophobicContact CB-CB 4.45Å; F313-D322 HydrophobicContact CD1-CB 3.42Å; F313-D322 VanDerWaalsContact CD1-CB 3.42Å; F313-D322 HydrophobicContact CD2-CB 4.43Å; F313-D322 HydrophobicContact CE1-CB 3.62Å; F313-D322 HydrophobicContact CG-CB 3.85Å; F313-D322 HydrophobicContact CZ-CB 4.22Å; F313-M323 HydrophobicContact CB-CB 4.49Å; F313-M323 HydrophobicContact CB-CE 3.82Å; F313-C326 HydrophobicContact CD2-CB 3.88Å; F313-C326 HydrophobicContact CE2-CB 3.78Å
314	A	89.4	Confident	92.2	Very high	27 Å²	27	52.6 Å²	52.6	22%	0.223	27%	0.271	C	S	.	.	H	α-helix	trans	-71.9	-23.4	175.6	0	0	0	0	0	113.1	I306 C310 Q311 S312 M323	I306-A314 HydrophobicContact CG2-CB 3.89Å; C310-A314 PolarHBondContact O-N 3.34Å; Q311-A314 PolarHBondContact O-N 2.92Å; S312-A314 VanDerWaalsContact C-N 3.27Å; S312-A314 PolarHBondContact O-N 3.31Å; A314-M323 HydrophobicContact CB-CE 3.73Å
315	Q	87	Confident	92.1	Very high	148 Å²	148	52.2 Å²	52.2	69%	0.692	26%	0.263	S	S	*	.	H	α-helix	trans	-88.5	-15.8	180	-68.4	173.9	0.7	0	0	112.8	Q311 S312 F313	Q311-Q315 WeakPolarHBondContact O-CG 3.32Å; Q311-Q315 PolarHBondContact O-N 2.04Å; S312-Q315 PolarHBondContact O-N 3.37Å; F313-Q315 VanDerWaalsContact C-N 3.29Å; F313-Q315 PolarHBondContact O-N 2.76Å
316	E	86.8	Confident	92	Very high	82 Å²	82	52.8 Å²	52.8	38%	0.383	27%	0.266	S	S	.	.	S	Bend	trans	-70.9	142	177.8	-68.5	177.3	-173.1	0	0	111.5	R293 L318	R293-E316 PolarHBondContact NH2-O 2.98Å; E316-L318 PolarHBondContact O-N 3.29Å
317	E	82.1	Confident	91.9	Very high	141 Å²	141	52.3 Å²	52.3	66%	0.659	26%	0.264	S	S	*	.	S	Bend	trans	-56.6	-40.8	177.3	-83	-160	-160.3	0	0	112.5	R225 R293	R225-E317 IonicContact CZ-OE2 3.82Å; R225-E317 IonicContact NH1-OE2 2.87Å; R225-E317 PolarHBondContact NH1-OE2 3.31Å; R225-E317 IonicContact NH2-OE2 2.84Å; R293-E317 PolarHBondContact NH1-O 3.12Å; R293-E317 PolarHBondContact NH2-O 3.23Å
318	L	83.7	Confident	91.7	Very high	22 Å²	22	47.4 Å²	47.4	12%	0.115	24%	0.244	C	C	.	.			trans	-136.4	122.9	174.4	-67.4	175.7	0	0	0	107.6	Y208 E316	Y208-L318 HydrophobicContact CD1-CD1 4.39Å; Y208-L318 HydrophobicContact CD1-CD2 3.48Å; Y208-L318 VanDerWaalsContact CD1-CD2 3.48Å; Y208-L318 HydrophobicContact CE1-CD2 3.5Å; Y208-L318 VanDerWaalsContact CE1-CD2 3.5Å; E316-L318 PolarHBondContact O-N 3.29Å
319	D	88.9	Confident	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.			trans	-75.1	-24.8	177.2	63.3	-40.6	0	0	0	113.3	D291 Y292 G321 D322 M323	D291-D319 WeakPolarHBondContact CA-OD1 3.43Å; Y292-D319 HydrophobicContact CD1-CB 4.09Å; Y292-D319 WeakPolarHBondContact CD1-OD2 3.35Å; Y292-D319 HydrophobicContact CE1-CB 4.43Å; Y292-D319 PolarHBondContact N-OD2 3.26Å; Y292-D319 VanDerWaalsContact N-OD2 3.14Å; D319-G321 PolarHBondContact O-N 2.97Å; D319-D322 WeakPolarHBondContact O-CB 3.47Å; D319-D322 PolarHBondContact O-N 3.49Å; D319-D322 VanDerWaalsContact O-OD2 3.04Å; D319-M323 HydrophobicContact CB-CB 4.28Å
320	N	91.1	Very high	91.1	Very high	42 Å²	42	48.8 Å²	48.8	23%	0.225	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.2	179.4	-62.5	-51.5	0	0	0	113.9	R290 F359	R290-N320 PolarHBondContact NE-OD1 3.36Å; R290-N320 PolarHBondContact NH2-OD1 2.87Å; R290-N320 CarbonylContact O-C 3.26Å; R290-N320 VanDerWaalsContact O-CA 3.25Å; R290-N320 WeakPolarHBondContact O-CA 3.31Å; R290-N320 PolarHBondContact O-N 3.01Å; R290-N320 VanDerWaalsContact O-N 3.07Å; N320-F359 HydrophobicContact CB-CD1 3.97Å; N320-F359 HydrophobicContact CB-CE1 3.66Å; N320-F359 HydrophobicContact CB-CZ 4.47Å; N320-F359 WeakPolarHBondContact O-CD1 3.28Å
321	G	92.3	Very high	90.7	Very high	6 Å²	6	49.5 Å²	49.5	6%	0.062	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-3.8	180	0	0	0	0	0	115.8	S289 R290 D319 M323 L324 D325	S289-G321 WeakPolarHBondContact O-CA 3.44Å; R290-G321 PolarHBondContact O-N 3.07Å; R290-G321 VanDerWaalsContact O-N 3.09Å; D319-G321 PolarHBondContact O-N 2.97Å; G321-M323 VanDerWaalsContact C-N 3.27Å; G321-M323 PolarHBondContact O-N 3.11Å; G321-L324 PolarHBondContact O-N 3.36Å; G321-D325 PolarHBondContact O-N 3.29Å
322	D	94.1	Very high	90.4	Very high	46 Å²	46	49.2 Å²	49.2	25%	0.246	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-33.6	178.3	-76.4	-64.5	0	0	0	113.2	F313 D319 L324 D325 C326 K360	F313-D322 HydrophobicContact CB-CB 4.45Å; F313-D322 HydrophobicContact CD1-CB 3.42Å; F313-D322 VanDerWaalsContact CD1-CB 3.42Å; F313-D322 HydrophobicContact CD2-CB 4.43Å; F313-D322 HydrophobicContact CE1-CB 3.62Å; F313-D322 HydrophobicContact CG-CB 3.85Å; F313-D322 HydrophobicContact CZ-CB 4.22Å; D319-D322 WeakPolarHBondContact O-CB 3.47Å; D319-D322 PolarHBondContact O-N 3.49Å; D319-D322 VanDerWaalsContact O-OD2 3.04Å; D322-L324 PolarHBondContact O-N 3.12Å; D322-D325 PolarHBondContact O-N 3.06Å; D322-C326 WeakPolarHBondContact O-CB 3.4Å; D322-C326 PolarHBondContact O-N 2.85Å; D322-K360 VanDerWaalsContact CG-NZ 3.35Å; D322-K360 WeakPolarHBondContact OD1-CE 3.48Å; D322-K360 IonicContact OD1-NZ 3.65Å; D322-K360 PolarHBondContact OD1-NZ 2.71Å; D322-K360 IonicContact OD2-NZ 3.02Å
323	M	95	Very high	90.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-44.1	178.1	-176.4	60.9	72.1	0	0	112.2	Y292 I306 C310 F313 A314 D319 G321 C326 L327	Y292-M323 HydrophobicContact CD1-CB 3.42Å; Y292-M323 VanDerWaalsContact CD1-CB 3.42Å; Y292-M323 HydrophobicContact CD1-CE 4.24Å; Y292-M323 HydrophobicContact CD1-CG 3.5Å; Y292-M323 HydrophobicContact CD2-CB 4.46Å; Y292-M323 HydrophobicContact CD2-CG 3.69Å; Y292-M323 HydrophobicContact CE1-CB 3.95Å; Y292-M323 HydrophobicContact CE1-CE 3.57Å; Y292-M323 HydrophobicContact CE1-CG 3.81Å; Y292-M323 HydrophobicContact CE2-CE 4.21Å; Y292-M323 HydrophobicContact CE2-CG 4.01Å; Y292-M323 HydrophobicContact CG-CB 3.7Å; Y292-M323 HydrophobicContact CG-CG 3.42Å; Y292-M323 VanDerWaalsContact CG-CG 3.42Å; I306-M323 HydrophobicContact CB-SD 4.5Å; I306-M323 HydrophobicContact CD1-SD 4.43Å; I306-M323 HydrophobicContact CG1-SD 3.9Å; I306-M323 HydrophobicContact CG2-CE 3.75Å; I306-M323 HydrophobicContact CG2-SD 4.11Å; C310-M323 HydrophobicContact CB-CE 4.15Å; C310-M323 HydrophobicContact CB-SD 3.42Å; C310-M323 WeakPolarHBondContact CB-SD 3.26Å; C310-M323 WeakPolarHBondContact O-CE 3.38Å; F313-M323 HydrophobicContact CB-CB 4.49Å; F313-M323 HydrophobicContact CB-CE 3.82Å; A314-M323 HydrophobicContact CB-CE 3.73Å; D319-M323 HydrophobicContact CB-CB 4.28Å; G321-M323 VanDerWaalsContact C-N 3.27Å; G321-M323 PolarHBondContact O-N 3.11Å; M323-C326 PolarHBondContact O-N 3.43Å; M323-L327 HydrophobicContact CG-CD1 4.17Å; M323-L327 HydrophobicContact CG-CG 4.49Å; M323-L327 WeakPolarHBondContact O-CG 3.44Å; M323-L327 PolarHBondContact O-N 2.95Å; M323-L327 HydrophobicContact SD-CG 4.44Å
324	L	93.1	Very high	90.5	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-40.8	-179.9	-67	178.5	0	0	0	111.2	L298 G321 D322 C326 L327 L328 T347	L298-L324 HydrophobicContact CD1-CD2 3.96Å; L298-L324 HydrophobicContact CD2-CD2 4.22Å; G321-L324 PolarHBondContact O-N 3.36Å; D322-L324 PolarHBondContact O-N 3.12Å; L324-C326 VanDerWaalsContact C-N 3.31Å; L324-C326 PolarHBondContact O-N 2.85Å; L324-L327 PolarHBondContact O-N 2.66Å; L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3Å; L324-T347 HydrophobicContact CD1-CG2 3.83Å; L324-T347 HydrophobicContact CD2-CG2 3.91Å; L324-T347 HydrophobicContact CG-CG2 4.43Å
325	D	92.2	Very high	90.7	Very high	42 Å²	42	51.9 Å²	51.9	23%	0.225	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-42.4	174.5	-71.1	-20.7	0	0	0	111.3	G321 D322 L328 L329 K360 K418	G321-D325 PolarHBondContact O-N 3.29Å; D322-D325 PolarHBondContact O-N 3.06Å; D325-L328 PolarHBondContact O-N 3.12Å; D325-L329 PolarHBondContact O-N 3.48Å; D325-K360 IonicContact OD2-NZ 3.61Å; D325-K360 PolarHBondContact OD2-NZ 2.85Å; D325-K418 WeakPolarHBondContact OD1-CE 3.39Å; D325-K418 IonicContact OD1-NZ 3.62Å; D325-K418 PolarHBondContact OD1-NZ 3.47Å; D325-K418 IonicContact OD2-NZ 3.4Å
326	C	95	Very high	91	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-45.6	175.9	-176.3	0	0	0	0	112.4	C310 F313 D322 M323 L324 L328 L329 H330	C310-C326 WeakPolarHBondContact CA-SG 3.39Å; C310-C326 HydrophobicContact CB-CB 3.86Å; C310-C326 WeakPolarHBondContact CB-SG 3.05Å; C310-C326 WeakPolarHBondContact SG-CB 3.47Å; C310-C326 CovalentContact SG-SG 2.04Å; C310-C326 PolarHBondContact SG-SG 3.37Å; F313-C326 HydrophobicContact CD2-CB 3.88Å; F313-C326 HydrophobicContact CE2-CB 3.78Å; D322-C326 WeakPolarHBondContact O-CB 3.4Å; D322-C326 PolarHBondContact O-N 2.85Å; M323-C326 PolarHBondContact O-N 3.43Å; L324-C326 VanDerWaalsContact C-N 3.31Å; L324-C326 PolarHBondContact O-N 2.85Å; C326-L328 VanDerWaalsContact C-N 3.31Å; C326-L328 PolarHBondContact O-N 2.91Å; C326-L329 PolarHBondContact O-N 3.38Å; C326-H330 PolarHBondContact O-CD2 3.19Å; C326-H330 VanDerWaalsContact O-CD2 3.22Å; C326-H330 PolarHBondContact O-N 3Å; C326-H330 VanDerWaalsContact O-N 3.09Å
327	L	94.6	Very high	91.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-37.8	178	-72.3	173.3	0	0	0	112.5	L298 C302 V305 I306 M323 L324 H330 K331 V344	L298-L327 HydrophobicContact CD2-CD1 3.71Å; L298-L327 HydrophobicContact CG-CD1 4.34Å; C302-L327 HydrophobicContact CB-CD1 4.37Å; C302-L327 HydrophobicContact CB-CD2 3.99Å; V305-L327 HydrophobicContact CB-CD2 4.16Å; V305-L327 HydrophobicContact CG1-CD2 3.82Å; I306-L327 HydrophobicContact CG1-CD2 3.96Å; M323-L327 HydrophobicContact CG-CD1 4.17Å; M323-L327 HydrophobicContact CG-CG 4.49Å; M323-L327 WeakPolarHBondContact O-CG 3.44Å; M323-L327 PolarHBondContact O-N 2.95Å; M323-L327 HydrophobicContact SD-CG 4.44Å; L324-L327 PolarHBondContact O-N 2.66Å; L327-H330 CarbonylContact O-C 3.55Å; L327-H330 PolarHBondContact O-N 2.86Å; L327-K331 PolarHBondContact O-N 2.94Å; L327-K331 VanDerWaalsContact O-N 3.15Å; L327-V344 HydrophobicContact CB-CG2 4.01Å; L327-V344 HydrophobicContact CD1-CG2 4.42Å
328	L	90.2	Very high	91.9	Very high	50 Å²	50	45.6 Å²	45.6	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-44.9	174.6	-73.5	167.7	0	0	0	111.6	L324 D325 C326 H330 K331 V344 E348	L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3Å; D325-L328 PolarHBondContact O-N 3.12Å; C326-L328 VanDerWaalsContact C-N 3.31Å; C326-L328 PolarHBondContact O-N 2.91Å; L328-H330 PolarHBondContact O-N 3.39Å; L328-K331 WeakPolarHBondContact O-CB 3.48Å; L328-K331 PolarHBondContact O-N 3.4Å; L328-V344 HydrophobicContact CD2-CG1 3.59Å; L328-V344 HydrophobicContact CG-CG1 4.17Å; L328-E348 HydrophobicContact CD2-CB 3.99Å; L328-E348 HydrophobicContact CD2-CG 4.1Å
329	L	89.5	Confident	92.3	Very high	139 Å²	139	51 Å²	51	73%	0.728	28%	0.284	S	S	*	.	H	α-helix	trans	-59.1	-32.8	176.5	-174.5	66.4	0	0	0	112.4	D325 C326	D325-L329 PolarHBondContact O-N 3.48Å; C326-L329 PolarHBondContact O-N 3.38Å
330	H	92.5	Very high	92.6	Very high	51 Å²	51	51 Å²	51	24%	0.236	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	21.4	-178.9	-65.3	-69.8	0	0	0	114	V305 Y309 C326 L327 L328 G332 A333 M336	V305-H330 HydrophobicContact CG1-CB 4.2Å; Y309-H330 AromaticContact CD1-CE1 3.86Å; Y309-H330 AromaticContact CD1-ND1 3.87Å; Y309-H330 AromaticContact CG-ND1 3.99Å; C326-H330 PolarHBondContact O-CD2 3.19Å; C326-H330 VanDerWaalsContact O-CD2 3.22Å; C326-H330 PolarHBondContact O-N 3Å; C326-H330 VanDerWaalsContact O-N 3.09Å; L327-H330 CarbonylContact O-C 3.55Å; L327-H330 PolarHBondContact O-N 2.86Å; L328-H330 PolarHBondContact O-N 3.39Å; H330-G332 PolarHBondContact O-N 2.04Å; H330-G332 VanDerWaalsContact O-N 3.12Å; H330-A333 HydrophobicContact CB-CB 4.24Å; H330-A333 VanDerWaalsContact O-CB 3.26Å; H330-A333 WeakPolarHBondContact O-CB 3.31Å; H330-A333 PolarHBondContact O-N 3.24Å; H330-M336 WeakPolarHBondContact O-CE 3.44Å
331	K	88.4	Confident	92.7	Very high	16 Å²	16	53.4 Å²	53.4	7%	0.07	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.3	176	-166.7	176.1	177.2	-172.1	0	113	L327 L328 M336 R341 E348 D423	L327-K331 PolarHBondContact O-N 2.94Å; L327-K331 VanDerWaalsContact O-N 3.15Å; L328-K331 WeakPolarHBondContact O-CB 3.48Å; L328-K331 PolarHBondContact O-N 3.4Å; K331-M336 WeakPolarHBondContact O-CG 3.39Å; K331-R341 HydrophobicContact CG-CG 4.27Å; K331-R341 PolarHBondContact O-NH1 3.2Å; K331-R341 PolarHBondContact O-NH2 3.35Å; K331-E348 IonicContact NZ-OE2 3.14Å; K331-E348 PolarHBondContact NZ-OE2 3.22Å; K331-D423 WeakPolarHBondContact CD-OD2 3.36Å; K331-D423 WeakPolarHBondContact CE-OD2 3.2Å; K331-D423 IonicContact NZ-OD2 2.84Å; K331-D423 PolarHBondContact NZ-OD2 3.03Å
332	G	86.7	Confident	92.7	Very high	68 Å²	68	55.5 Å²	55.5	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.5	175.2	0	0	0	0	0	116	H330	H330-G332 PolarHBondContact O-N 2.04Å; H330-G332 VanDerWaalsContact O-N 3.12Å
333	A	93	Very high	92.6	Very high	11 Å²	11	54.8 Å²	54.8	9%	0.091	30%	0.301	C	S	.	.			trans	-65.7	148.7	-173.4	0	0	0	0	0	112.8	Y309 H330 E335 M336	Y309-A333 HydrophobicContact CD2-CB 4.31Å; Y309-A333 HydrophobicContact CE2-CB 3.65Å; H330-A333 HydrophobicContact CB-CB 4.24Å; H330-A333 VanDerWaalsContact O-CB 3.26Å; H330-A333 WeakPolarHBondContact O-CB 3.31Å; H330-A333 PolarHBondContact O-N 3.24Å; A333-E335 VanDerWaalsContact C-N 3.27Å; A333-E335 PolarHBondContact O-N 3.25Å; A333-M336 WeakPolarHBondContact O-CB 3.44Å; A333-M336 PolarHBondContact O-N 3.09Å; A333-M336 VanDerWaalsContact O-N 3.07Å
334	P	94.3	Very high	92.5	Very high	119 Å²	119	55 Å²	55	77%	0.773	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.3	-179	21.3	-27.3	0	0	0	113.6	M336	P334-M336 PolarHBondContact O-N 3.37Å
335	E	94.3	Very high	92.3	Very high	69 Å²	69	54.3 Å²	54.3	32%	0.322	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.4	176.5	-62.8	77.7	-176.8	0	0	112.8	A304 V305 Y309 A333 T337	A304-E335 HydrophobicContact CB-CB 4.27Å; V305-E335 HydrophobicContact CG2-CB 4.1Å; Y309-E335 WeakPolarHBondContact CE2-OE2 3.38Å; Y309-E335 PolarHBondContact OH-OE2 3.05Å; A333-E335 VanDerWaalsContact C-N 3.27Å; A333-E335 PolarHBondContact O-N 3.25Å; E335-T337 PolarHBondContact O-N 2.73Å
336	M	94.2	Very high	92.3	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.034	29%	0.293	C	S	.	.			trans	-74	86.4	-179.9	-174.9	63.3	68	0	0	110.7	V305 H330 K331 A333 P334 C340 R341 V344	V305-M336 HydrophobicContact CB-CE 4.21Å; V305-M336 HydrophobicContact CG1-CE 3.75Å; V305-M336 HydrophobicContact CG2-CB 4.1Å; V305-M336 HydrophobicContact CG2-CE 3.78Å; V305-M336 HydrophobicContact CG2-SD 4.15Å; H330-M336 WeakPolarHBondContact O-CE 3.44Å; K331-M336 WeakPolarHBondContact O-CG 3.39Å; A333-M336 WeakPolarHBondContact O-CB 3.44Å; A333-M336 PolarHBondContact O-N 3.09Å; A333-M336 VanDerWaalsContact O-N 3.07Å; P334-M336 PolarHBondContact O-N 3.37Å; M336-C340 HydrophobicContact SD-CB 3.66Å; M336-C340 PolarHBondContact SD-SG 3.4Å; M336-R341 HydrophobicContact CG-CB 4.02Å; M336-R341 HydrophobicContact SD-CB 4.37Å; M336-V344 HydrophobicContact CE-CG2 4.49Å; M336-V344 HydrophobicContact SD-CG2 4.48Å
337	T	93.7	Very high	92.2	Very high	71 Å²	71	53.8 Å²	53.8	44%	0.436	30%	0.297	S	S	.	.			trans	-56	156.4	175.9	68.8	0	0	0	0	111.8	E335 K339 C340 R341	E335-T337 PolarHBondContact O-N 2.73Å; T337-K339 PolarHBondContact O-N 3.5Å; T337-C340 PolarHBondContact O-N 3.48Å; T337-C340 VanDerWaalsContact O-N 3.17Å; T337-C340 PolarHBondContact OG1-N 3.37Å; T337-C340 VanDerWaalsContact OG1-N 3.15Å; T337-R341 WeakPolarHBondContact O-CB 3.43Å; T337-R341 PolarHBondContact O-N 3.11Å
338	H	93.3	Very high	92	Very high	161 Å²	161	54.6 Å²	54.6	75%	0.745	30%	0.301	S	S	*	.	H	α-helix	trans	-54	-39.5	175.1	-178.9	-88.5	0	0	0	112.1	R341 A342	H338-R341 PolarHBondContact O-N 2.89Å; H338-A342 WeakPolarHBondContact O-CB 3.42Å; H338-A342 PolarHBondContact O-N 3.21Å
339	K	92.1	Very high	91.9	Very high	136 Å²	136	56 Å²	56	59%	0.591	31%	0.308	S	S	*	.	H	α-helix	trans	-65.9	-46.2	178.9	-151.9	-175.4	-174.9	-179.3	0	111.7	A301 T337 A342 Y343	A301-K339 HydrophobicContact CB-CB 4.37Å; A301-K339 HydrophobicContact CB-CD 4.48Å; A301-K339 HydrophobicContact CB-CG 4.35Å; T337-K339 PolarHBondContact O-N 3.5Å; K339-A342 PolarHBondContact O-N 3.4Å; K339-Y343 HydrophobicContact CD-CE2 4.24Å; K339-Y343 HydrophobicContact CG-CD2 4.32Å; K339-Y343 HydrophobicContact CG-CE2 3.81Å; K339-Y343 WeakPolarHBondContact O-CD2 3.46Å; K339-Y343 PolarHBondContact O-N 3.02Å; K339-Y343 VanDerWaalsContact O-N 3.15Å
340	C	94.8	Very high	92.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-45.5	175.8	178.2	0	0	0	0	111.4	A301 C302 M336 T337 A342 Y343 V344	A301-C340 HydrophobicContact CB-CB 4.22Å; A301-C340 WeakPolarHBondContact O-CB 3.35Å; C302-C340 WeakPolarHBondContact CA-SG 3.22Å; C302-C340 HydrophobicContact CB-CB 4.06Å; C302-C340 WeakPolarHBondContact CB-SG 3.01Å; C302-C340 VanDerWaalsContact SG-CA 3.56Å; C302-C340 WeakPolarHBondContact SG-CB 3.46Å; C302-C340 CovalentContact SG-SG 2.02Å; C302-C340 PolarHBondContact SG-SG 3.49Å; M336-C340 HydrophobicContact SD-CB 3.66Å; M336-C340 PolarHBondContact SD-SG 3.4Å; T337-C340 PolarHBondContact O-N 3.48Å; T337-C340 VanDerWaalsContact O-N 3.17Å; T337-C340 PolarHBondContact OG1-N 3.37Å; T337-C340 VanDerWaalsContact OG1-N 3.15Å; C340-A342 VanDerWaalsContact C-N 3.27Å; C340-A342 PolarHBondContact O-N 3.47Å; C340-Y343 PolarHBondContact O-N 3.39Å; C340-Y343 VanDerWaalsContact O-N 3.14Å; C340-V344 WeakPolarHBondContact O-CG2 3.48Å; C340-V344 PolarHBondContact O-N 2.88Å
341	R	93.9	Very high	92.1	Very high	92 Å²	92	48.2 Å²	48.2	35%	0.347	27%	0.27	S	S	.	.	H	α-helix	trans	-56.3	-41.8	177.1	-168.7	-177.2	-61	-95.8	-9.7	111.9	K331 M336 T337 H338 V344 A345	K331-R341 HydrophobicContact CG-CG 4.27Å; K331-R341 PolarHBondContact O-NH1 3.2Å; K331-R341 PolarHBondContact O-NH2 3.35Å; M336-R341 HydrophobicContact CG-CB 4.02Å; M336-R341 HydrophobicContact SD-CB 4.37Å; T337-R341 WeakPolarHBondContact O-CB 3.43Å; T337-R341 PolarHBondContact O-N 3.11Å; H338-R341 PolarHBondContact O-N 2.89Å; R341-V344 PolarHBondContact O-N 3.36Å; R341-A345 VanDerWaalsContact O-CB 3.28Å; R341-A345 WeakPolarHBondContact O-CB 3.46Å; R341-A345 PolarHBondContact O-N 3.3Å
342	A	91.4	Very high	92.3	Very high	51 Å²	51	48.5 Å²	48.5	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-44.9	176.9	0	0	0	0	0	112.3	H338 K339 C340 A345 H346	H338-A342 WeakPolarHBondContact O-CB 3.42Å; H338-A342 PolarHBondContact O-N 3.21Å; K339-A342 PolarHBondContact O-N 3.4Å; C340-A342 VanDerWaalsContact C-N 3.27Å; C340-A342 PolarHBondContact O-N 3.47Å; A342-A345 PolarHBondContact O-N 3.49Å; A342-H346 WeakPolarHBondContact O-CB 3.35Å; A342-H346 PolarHBondContact O-N 2.98Å
343	Y	92	Very high	92.5	Very high	31 Å²	31	48.9 Å²	48.9	12%	0.122	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-37	176.6	-73.8	-63.2	0	0	0	113.3	M264 A297 A301 K339 C340 H346 T347	M264-Y343 HydrophobicContact SD-CD1 4.11Å; M264-Y343 HydrophobicContact SD-CE1 3.75Å; A297-Y343 HydrophobicContact CB-CD1 4.25Å; A297-Y343 HydrophobicContact CB-CE1 3.61Å; A297-Y343 HydrophobicContact CB-CE2 4.08Å; A301-Y343 HydrophobicContact CB-CD2 3.58Å; A301-Y343 HydrophobicContact CB-CE2 3.9Å; K339-Y343 HydrophobicContact CD-CE2 4.24Å; K339-Y343 HydrophobicContact CG-CD2 4.32Å; K339-Y343 HydrophobicContact CG-CE2 3.81Å; K339-Y343 WeakPolarHBondContact O-CD2 3.46Å; K339-Y343 PolarHBondContact O-N 3.02Å; K339-Y343 VanDerWaalsContact O-N 3.15Å; C340-Y343 PolarHBondContact O-N 3.39Å; C340-Y343 VanDerWaalsContact O-N 3.14Å; Y343-H346 PolarHBondContact O-N 3.45Å; Y343-T347 WeakPolarHBondContact O-CB 3.39Å; Y343-T347 PolarHBondContact O-N 3.3Å; Y343-T347 PolarHBondContact O-OG1 3.34Å
344	V	93.2	Very high	92.6	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-45.9	174.7	172.1	0	0	0	0	109.9	L298 L327 L328 M336 C340 R341 T347 E348	L298-V344 HydrophobicContact CD1-CG2 4.44Å; L327-V344 HydrophobicContact CB-CG2 4.01Å; L327-V344 HydrophobicContact CD1-CG2 4.42Å; L328-V344 HydrophobicContact CD2-CG1 3.59Å; L328-V344 HydrophobicContact CG-CG1 4.17Å; M336-V344 HydrophobicContact CE-CG2 4.49Å; M336-V344 HydrophobicContact SD-CG2 4.48Å; C340-V344 WeakPolarHBondContact O-CG2 3.48Å; C340-V344 PolarHBondContact O-N 2.88Å; R341-V344 PolarHBondContact O-N 3.36Å; V344-T347 PolarHBondContact O-N 3.1Å; V344-E348 PolarHBondContact O-N 3.34Å
345	A	90.4	Very high	92.7	Very high	12 Å²	12	43.2 Å²	43.2	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-40.3	175.2	0	0	0	0	0	112.7	R341 A342 T347 E348 L349	R341-A345 VanDerWaalsContact O-CB 3.28Å; R341-A345 WeakPolarHBondContact O-CB 3.46Å; R341-A345 PolarHBondContact O-N 3.3Å; A342-A345 PolarHBondContact O-N 3.49Å; A345-T347 VanDerWaalsContact C-N 3.31Å; A345-T347 PolarHBondContact O-N 3.45Å; A345-E348 WeakPolarHBondContact O-CB 3.35Å; A345-E348 PolarHBondContact O-N 2.92Å; A345-L349 WeakPolarHBondContact O-CG 3.35Å; A345-L349 PolarHBondContact O-N 3Å
346	H	91.6	Very high	92.7	Very high	17 Å²	17	42.7 Å²	42.7	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-44.7	172.2	174.6	75.1	0	0	0	111.4	M264 Q267 A342 Y343 E348 L349 I350	M264-H346 VanDerWaalsContact CG-CE1 3.44Å; M264-H346 WeakPolarHBondContact CG-CE1 3.33Å; M264-H346 PolarHBondContact O-CE1 3.16Å; Q267-H346 PolarHBondContact OE1-NE2 2.64Å; A342-H346 WeakPolarHBondContact O-CB 3.35Å; A342-H346 PolarHBondContact O-N 2.98Å; Y343-H346 PolarHBondContact O-N 3.45Å; H346-E348 VanDerWaalsContact C-N 3.32Å; H346-E348 PolarHBondContact O-N 3.03Å; H346-L349 PolarHBondContact O-N 3.28Å; H346-I350 WeakPolarHBondContact O-CG2 3.46Å; H346-I350 PolarHBondContact O-N 3.18Å
347	T	92.1	Very high	92.8	Very high	25 Å²	25	42.7 Å²	42.7	15%	0.153	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-38.2	178.6	-54.9	0	0	0	0	111.9	L298 L324 Y343 V344 A345 I350 S351	L298-T347 WeakPolarHBondContact CD1-OG1 3.45Å; L324-T347 HydrophobicContact CD1-CG2 3.83Å; L324-T347 HydrophobicContact CD2-CG2 3.91Å; L324-T347 HydrophobicContact CG-CG2 4.43Å; Y343-T347 WeakPolarHBondContact O-CB 3.39Å; Y343-T347 PolarHBondContact O-N 3.3Å; Y343-T347 PolarHBondContact O-OG1 3.34Å; V344-T347 PolarHBondContact O-N 3.1Å; A345-T347 VanDerWaalsContact C-N 3.31Å; A345-T347 PolarHBondContact O-N 3.45Å; T347-I350 VanDerWaalsContact O-CG2 3.3Å; T347-I350 WeakPolarHBondContact O-CG2 2.99Å; T347-S351 WeakPolarHBondContact O-CB 3.44Å; T347-S351 PolarHBondContact O-N 3.4Å; T347-S351 VanDerWaalsContact O-N 3.1Å
348	E	89.8	Confident	92.9	Very high	18 Å²	18	40.1 Å²	40.1	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-50.4	173.1	-169.5	173.1	-157.6	0	0	111.3	L328 K331 V344 A345 H346 S351 M352 A422 L426	L328-E348 HydrophobicContact CD2-CB 3.99Å; L328-E348 HydrophobicContact CD2-CG 4.1Å; K331-E348 IonicContact NZ-OE2 3.14Å; K331-E348 PolarHBondContact NZ-OE2 3.22Å; V344-E348 PolarHBondContact O-N 3.34Å; A345-E348 WeakPolarHBondContact O-CB 3.35Å; A345-E348 PolarHBondContact O-N 2.92Å; H346-E348 VanDerWaalsContact C-N 3.32Å; H346-E348 PolarHBondContact O-N 3.03Å; E348-S351 WeakPolarHBondContact O-CB 3.41Å; E348-S351 PolarHBondContact O-N 3.29Å; E348-S351 PolarHBondContact O-OG 3.21Å; E348-M352 PolarHBondContact O-N 2.67Å; E348-A422 WeakPolarHBondContact OE1-CB 3.5Å; E348-L426 HydrophobicContact CG-CD1 3.78Å; E348-L426 HydrophobicContact CG-CD2 4.38Å
349	L	89.7	Confident	93	Very high	78 Å²	78	33 Å²	33	41%	0.408	16%	0.161	S	C	.	.	H	α-helix	trans	-65	-46.7	-179.4	-72.4	173.2	0	0	0	113.1	A345 H346 S351 M352 L426	A345-L349 WeakPolarHBondContact O-CG 3.35Å; A345-L349 PolarHBondContact O-N 3Å; H346-L349 PolarHBondContact O-N 3.28Å; L349-S351 PolarHBondContact O-N 3.43Å; L349-M352 WeakPolarHBondContact O-CB 3.48Å; L349-M352 PolarHBondContact O-N 3.38Å; L349-M352 VanDerWaalsContact O-N 3.15Å; L349-L426 HydrophobicContact CD2-CD2 4.01Å
350	I	92.9	Very high	93.1	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-37.4	177.1	-171	57.7	0	0	0	110.1	Q267 T285 H346 T347 M352 K353 F357	Q267-I350 HydrophobicContact CB-CD1 3.86Å; Q267-I350 HydrophobicContact CB-CG1 4.02Å; Q267-I350 HydrophobicContact CG-CD1 4.32Å; Q267-I350 HydrophobicContact CG-CG1 4.2Å; Q267-I350 VanDerWaalsContact O-CD1 3.28Å; Q267-I350 WeakPolarHBondContact O-CD1 3.25Å; T285-I350 HydrophobicContact CG2-CG1 4.01Å; H346-I350 WeakPolarHBondContact O-CG2 3.46Å; H346-I350 PolarHBondContact O-N 3.18Å; T347-I350 VanDerWaalsContact O-CG2 3.3Å; T347-I350 WeakPolarHBondContact O-CG2 2.99Å; I350-M352 PolarHBondContact O-N 3.2Å; I350-K353 HydrophobicContact CD1-CB 4.22Å; I350-K353 HydrophobicContact CD1-CG 4.05Å; I350-K353 WeakPolarHBondContact O-CB 3.33Å; I350-K353 PolarHBondContact O-N 3.18Å; I350-F357 HydrophobicContact CD1-CD2 4.34Å; I350-F357 HydrophobicContact CD1-CE2 4.06Å; I350-F357 HydrophobicContact CG1-CD2 4.11Å; I350-F357 HydrophobicContact CG1-CE2 4.24Å; I350-F357 VanDerWaalsContact O-CD2 3.29Å; I350-F357 WeakPolarHBondContact O-CD2 3.47Å
351	S	92.8	Very high	93.2	Very high	17 Å²	17	28.3 Å²	28.3	12%	0.119	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-27.7	178.3	87.4	0	0	0	0	113.2	T347 E348 L349 K381	T347-S351 WeakPolarHBondContact O-CB 3.44Å; T347-S351 PolarHBondContact O-N 3.4Å; T347-S351 VanDerWaalsContact O-N 3.1Å; E348-S351 WeakPolarHBondContact O-CB 3.41Å; E348-S351 PolarHBondContact O-N 3.29Å; E348-S351 PolarHBondContact O-OG 3.21Å; L349-S351 PolarHBondContact O-N 3.43Å; S351-K381 WeakPolarHBondContact O-CE 3.11Å; S351-K381 PolarHBondContact OG-NZ 3.36Å
352	M	91.9	Very high	93.3	Very high	21 Å²	21	25.8 Å²	25.8	10%	0.103	13%	0.132	C	C	.	.	H	α-helix	trans	-76	-24.8	178	-64.2	-51.6	-62.5	0	0	113.4	E348 L349 I350 D354 D380 K381 A382 M419 L426	E348-M352 PolarHBondContact O-N 2.67Å; L349-M352 WeakPolarHBondContact O-CB 3.48Å; L349-M352 PolarHBondContact O-N 3.38Å; L349-M352 VanDerWaalsContact O-N 3.15Å; I350-M352 PolarHBondContact O-N 3.2Å; M352-D354 VanDerWaalsContact C-N 3.29Å; M352-D354 PolarHBondContact O-N 3.49Å; M352-D380 WeakPolarHBondContact O-CB 3.41Å; M352-K381 HydrophobicContact CE-CB 3.94Å; M352-K381 HydrophobicContact CE-CD 4.34Å; M352-K381 HydrophobicContact CE-CG 4.44Å; M352-K381 PolarHBondContact O-N 3.01Å; M352-K381 HydrophobicContact SD-CB 4.09Å; M352-K381 HydrophobicContact SD-CD 3.75Å; M352-K381 HydrophobicContact SD-CG 4.4Å; M352-A382 HydrophobicContact CE-CB 3.89Å; M352-M419 HydrophobicContact CE-CE 4Å; M352-M419 HydrophobicContact CE-CG 3.97Å; M352-M419 HydrophobicContact CE-SD 3.91Å; M352-M419 HydrophobicContact SD-CG 4.26Å; M352-L426 HydrophobicContact CE-CB 4.26Å; M352-L426 WeakPolarHBondContact CE-O 3.44Å; M352-L426 HydrophobicContact CG-CB 4.21Å; M352-L426 HydrophobicContact CG-CD1 4.25Å; M352-L426 HydrophobicContact CG-CD2 4.02Å; M352-L426 HydrophobicContact CG-CG 4.37Å; M352-L426 HydrophobicContact SD-CB 4.26Å; M352-L426 HydrophobicContact SD-CD1 4.21Å
353	K	92.2	Very high	93.4	Very high	76 Å²	76	29 Å²	29	33%	0.33	14%	0.138	S	C	.	.	H	α-helix	trans	-68.6	-26.3	-176.4	-63.3	-61.9	-168.3	174.8	0	113.6	Y270 Q271 I350 F357	Y270-K353 HydrophobicContact CD1-CB 3.93Å; Y270-K353 HydrophobicContact CE1-CB 4.43Å; Q271-K353 HydrophobicContact CG-CD 4.45Å; I350-K353 HydrophobicContact CD1-CB 4.22Å; I350-K353 HydrophobicContact CD1-CG 4.05Å; I350-K353 WeakPolarHBondContact O-CB 3.33Å; I350-K353 PolarHBondContact O-N 3.18Å; K353-F357 HydrophobicContact CB-CE2 4.37Å
354	D	94.7	Very high	93.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	14%	0.138	C	C	.	.			trans	-153.3	128.9	177.1	-162.6	-57.8	0	0	0	110.4	Y270 M352 R356 F357 N379	Y270-D354 HydrophobicContact CE1-CB 4.3Å; Y270-D354 PolarHBondContact OH-OD2 2.61Å; M352-D354 VanDerWaalsContact C-N 3.29Å; M352-D354 PolarHBondContact O-N 3.49Å; D354-R356 PolarHBondContact O-N 3.2Å; D354-R356 VanDerWaalsContact OD1-CB 3.26Å; D354-R356 WeakPolarHBondContact OD1-CB 3.07Å; D354-R356 WeakPolarHBondContact OD1-CG 3.31Å; D354-R356 IonicContact OD1-CZ 3.22Å; D354-R356 PolarHBondContact OD1-N 2.88Å; D354-R356 IonicContact OD1-NE 3.78Å; D354-R356 PolarHBondContact OD1-NE 2.77Å; D354-R356 IonicContact OD1-NH2 3.75Å; D354-R356 IonicContact OD2-CZ 2.98Å; D354-R356 IonicContact OD2-NE 3.03Å; D354-R356 PolarHBondContact OD2-NE 2.9Å; D354-R356 IonicContact OD2-NH2 2.85Å; D354-R356 PolarHBondContact OD2-NH2 3.4Å; D354-F357 HydrophobicContact CB-CD1 4.26Å; D354-F357 HydrophobicContact CB-CD2 3.53Å; D354-F357 HydrophobicContact CB-CE1 4.17Å; D354-F357 HydrophobicContact CB-CE2 3.45Å; D354-F357 VanDerWaalsContact CB-CE2 3.45Å; D354-F357 HydrophobicContact CB-CG 3.96Å; D354-F357 HydrophobicContact CB-CZ 3.79Å; D354-F357 WeakPolarHBondContact O-CB 3.45Å; D354-F357 PolarHBondContact O-N 3.36Å; D354-N379 CarbonylContact C-O 3.59Å; D354-N379 VanDerWaalsContact CA-O 3.32Å; D354-N379 WeakPolarHBondContact CA-O 3.34Å
355	F	95	Very high	93.9	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.031	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.6	-179.9	82.6	-86.1	0	0	0	113.1	F357 T358 F361 V369 L374 N379 I384	F355-F357 PolarHBondContact O-N 3.2Å; F355-T358 PolarHBondContact O-N 3.25Å; F355-F361 HydrophobicContact CB-CD1 4.09Å; F355-F361 HydrophobicContact CB-CE1 3.93Å; F355-F361 HydrophobicContact CD2-CD1 4.32Å; F355-F361 HydrophobicContact CD2-CE1 4.38Å; F355-V369 HydrophobicContact CD1-CG1 4.45Å; F355-V369 HydrophobicContact CE1-CG1 3.86Å; F355-V369 HydrophobicContact CE2-CB 4.28Å; F355-V369 HydrophobicContact CE2-CG1 3.98Å; F355-V369 HydrophobicContact CE2-CG2 4.32Å; F355-V369 HydrophobicContact CZ-CB 4.29Å; F355-V369 HydrophobicContact CZ-CG1 3.59Å; F355-L374 HydrophobicContact CE1-CD2 4.01Å; F355-N379 WeakPolarHBondContact CD1-O 3.3Å; F355-N379 PolarHBondContact N-O 2.65Å; F355-I384 HydrophobicContact CB-CB 4.2Å; F355-I384 HydrophobicContact CB-CG1 4.12Å; F355-I384 HydrophobicContact CB-CG2 4.28Å; F355-I384 HydrophobicContact CD1-CG1 3.95Å; F355-I384 HydrophobicContact CG-CG1 4.17Å; F355-I384 HydrophobicContact CG-CG2 4.34Å
356	R	95.8	Very high	94.1	Very high	58 Å²	58	34.6 Å²	34.6	22%	0.219	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-70.5	-14.1	178.7	-65.4	170.9	-74.8	-178.7	-4.3	113	Q282 M286 D354 T358 R362	Q282-R356 VanDerWaalsContact CD-CZ 3.47Å; Q282-R356 VanDerWaalsContact OE1-CZ 3.32Å; M286-R356 HydrophobicContact CG-CB 4.09Å; M286-R356 HydrophobicContact SD-CB 3.99Å; D354-R356 PolarHBondContact O-N 3.2Å; D354-R356 VanDerWaalsContact OD1-CB 3.26Å; D354-R356 WeakPolarHBondContact OD1-CB 3.07Å; D354-R356 WeakPolarHBondContact OD1-CG 3.31Å; D354-R356 IonicContact OD1-CZ 3.22Å; D354-R356 PolarHBondContact OD1-N 2.88Å; D354-R356 IonicContact OD1-NE 3.78Å; D354-R356 PolarHBondContact OD1-NE 2.77Å; D354-R356 IonicContact OD1-NH2 3.75Å; D354-R356 IonicContact OD2-CZ 2.98Å; D354-R356 IonicContact OD2-NE 3.03Å; D354-R356 PolarHBondContact OD2-NE 2.9Å; D354-R356 IonicContact OD2-NH2 2.85Å; D354-R356 PolarHBondContact OD2-NH2 3.4Å; R356-T358 PolarHBondContact O-N 3.46Å; R356-R362 HydrophobicContact CB-CG 4.46Å; R356-R362 HydrophobicContact CG-CG 4.34Å; R356-R362 PolarHBondContact O-NH1 3.2Å
357	F	96.1	Very high	94.3	Very high	8 Å²	8	35 Å²	35	4%	0.035	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-79.2	6.5	176.6	-60.1	-22.6	0	0	0	113.5	Y270 Q282 T285 M286 S289 I350 K353 D354 F355	Y270-F357 HydrophobicContact CD1-CE2 4.18Å; Y270-F357 HydrophobicContact CD2-CE2 4.49Å; Y270-F357 HydrophobicContact CD2-CZ 4.25Å; Y270-F357 AromaticContact CE1-CE2 3.88Å; Y270-F357 HydrophobicContact CE1-CE2 3.88Å; Y270-F357 AromaticContact CE1-CZ 3.98Å; Y270-F357 HydrophobicContact CE1-CZ 3.98Å; Y270-F357 HydrophobicContact CE2-CE2 4.24Å; Y270-F357 AromaticContact CE2-CZ 3.67Å; Y270-F357 HydrophobicContact CE2-CZ 3.67Å; Y270-F357 HydrophobicContact CG-CE2 4.46Å; Y270-F357 AromaticContact CZ-CE2 3.9Å; Y270-F357 AromaticContact CZ-CZ 3.49Å; Y270-F357 VanDerWaalsContact CZ-CZ 3.49Å; Q282-F357 HydrophobicContact CB-CE1 4.08Å; Q282-F357 HydrophobicContact CB-CZ 4.18Å; Q282-F357 HydrophobicContact CG-CE1 3.63Å; Q282-F357 HydrophobicContact CG-CZ 3.99Å; T285-F357 HydrophobicContact CG2-CB 4.23Å; T285-F357 HydrophobicContact CG2-CD1 3.62Å; T285-F357 HydrophobicContact CG2-CD2 4.04Å; T285-F357 HydrophobicContact CG2-CE1 3.9Å; T285-F357 HydrophobicContact CG2-CE2 4.27Å; T285-F357 HydrophobicContact CG2-CG 3.7Å; T285-F357 HydrophobicContact CG2-CZ 4.2Å; M286-F357 HydrophobicContact CG-CD1 3.98Å; M286-F357 HydrophobicContact CG-CE1 4.15Å; S289-F357 WeakPolarHBondContact CB-O 3.47Å; I350-F357 HydrophobicContact CD1-CD2 4.34Å; I350-F357 HydrophobicContact CD1-CE2 4.06Å; I350-F357 HydrophobicContact CG1-CD2 4.11Å; I350-F357 HydrophobicContact CG1-CE2 4.24Å; I350-F357 VanDerWaalsContact O-CD2 3.29Å; I350-F357 WeakPolarHBondContact O-CD2 3.47Å; K353-F357 HydrophobicContact CB-CE2 4.37Å; D354-F357 HydrophobicContact CB-CD1 4.26Å; D354-F357 HydrophobicContact CB-CD2 3.53Å; D354-F357 HydrophobicContact CB-CE1 4.17Å; D354-F357 HydrophobicContact CB-CE2 3.45Å; D354-F357 VanDerWaalsContact CB-CE2 3.45Å; D354-F357 HydrophobicContact CB-CG 3.96Å; D354-F357 HydrophobicContact CB-CZ 3.79Å; D354-F357 WeakPolarHBondContact O-CB 3.45Å; D354-F357 PolarHBondContact O-N 3.36Å; F355-F357 PolarHBondContact O-N 3.2Å
358	T	95.6	Very high	94.5	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.098	16%	0.159	C	C	.	.	S	Bend	trans	-119.2	111.2	167.4	-57	0	0	0	0	109.5	F355 R356 K360 F361 R362 K381	F355-T358 PolarHBondContact O-N 3.25Å; R356-T358 PolarHBondContact O-N 3.46Å; T358-K360 PolarHBondContact O-N 2.91Å; T358-F361 HydrophobicContact CG2-CB 3.83Å; T358-F361 PolarHBondContact O-N 3.11Å; T358-R362 VanDerWaalsContact O-CB 3.28Å; T358-R362 WeakPolarHBondContact O-CB 3.39Å; T358-R362 PolarHBondContact O-N 3.35Å; T358-K381 WeakPolarHBondContact OG1-CE 3.26Å; T358-K381 PolarHBondContact OG1-NZ 3.49Å
359	F	94.6	Very high	94.9	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-57.1	-52.3	-171.3	173.4	-96.3	0	0	0	112.6	S289 R290 N320 F361 R362 Q363	S289-F359 WeakPolarHBondContact O-CB 3.47Å; R290-F359 HydrophobicContact CB-CB 4.29Å; R290-F359 HydrophobicContact CB-CD2 3.59Å; R290-F359 HydrophobicContact CB-CE2 4.16Å; R290-F359 HydrophobicContact CB-CG 4.02Å; R290-F359 VanDerWaalsContact CD-CE2 3.42Å; R290-F359 HydrophobicContact CG-CD1 4.47Å; R290-F359 HydrophobicContact CG-CD2 3.53Å; R290-F359 HydrophobicContact CG-CE2 3.63Å; R290-F359 HydrophobicContact CG-CG 3.98Å; R290-F359 HydrophobicContact CG-CZ 4.14Å; N320-F359 HydrophobicContact CB-CD1 3.97Å; N320-F359 HydrophobicContact CB-CE1 3.66Å; N320-F359 HydrophobicContact CB-CZ 4.47Å; N320-F359 WeakPolarHBondContact O-CD1 3.28Å; F359-F361 PolarHBondContact O-N 3.05Å; F359-R362 PolarHBondContact O-N 2.75Å; F359-Q363 WeakPolarHBondContact O-CB 3.06Å; F359-Q363 PolarHBondContact O-N 3.5Å
360	K	94.9	Very high	95.2	Very high	38 Å²	38	34.3 Å²	34.3	17%	0.165	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-44.2	-177.6	-63.1	178.2	-176.5	165.6	0	112.1	D322 D325 T358 Q363 A364	D322-K360 VanDerWaalsContact CG-NZ 3.35Å; D322-K360 WeakPolarHBondContact OD1-CE 3.48Å; D322-K360 IonicContact OD1-NZ 3.65Å; D322-K360 PolarHBondContact OD1-NZ 2.71Å; D322-K360 IonicContact OD2-NZ 3.02Å; D325-K360 IonicContact OD2-NZ 3.61Å; D325-K360 PolarHBondContact OD2-NZ 2.85Å; T358-K360 PolarHBondContact O-N 2.91Å; K360-Q363 PolarHBondContact O-N 3.11Å; K360-A364 WeakPolarHBondContact O-CB 3.4Å; K360-A364 PolarHBondContact O-N 2.69Å
361	F	96.8	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-46.2	177.2	-171	-123.7	0	0	0	111.6	F355 T358 F359 Q363 A364 C365 I384 V385 L388 Q411 L412 E415	F355-F361 HydrophobicContact CB-CD1 4.09Å; F355-F361 HydrophobicContact CB-CE1 3.93Å; F355-F361 HydrophobicContact CD2-CD1 4.32Å; F355-F361 HydrophobicContact CD2-CE1 4.38Å; T358-F361 HydrophobicContact CG2-CB 3.83Å; T358-F361 PolarHBondContact O-N 3.11Å; F359-F361 PolarHBondContact O-N 3.05Å; F361-Q363 PolarHBondContact O-N 3.47Å; F361-A364 PolarHBondContact O-N 2.93Å; F361-C365 HydrophobicContact CD2-CB 4.32Å; F361-C365 HydrophobicContact CE2-CB 4.14Å; F361-C365 VanDerWaalsContact CE2-SG 3.51Å; F361-C365 HydrophobicContact CZ-CB 4.49Å; F361-C365 VanDerWaalsContact O-CB 3.32Å; F361-C365 WeakPolarHBondContact O-CB 3.31Å; F361-C365 PolarHBondContact O-N 3.19Å; F361-I384 HydrophobicContact CE1-CG2 3.92Å; F361-I384 HydrophobicContact CZ-CG2 4.06Å; F361-V385 HydrophobicContact CE1-CG2 4.3Å; F361-V385 HydrophobicContact CZ-CG2 3.89Å; F361-L388 HydrophobicContact CE2-CD1 4.15Å; F361-L388 HydrophobicContact CZ-CD1 3.78Å; F361-Q411 HydrophobicContact CD2-CB 4.04Å; F361-L412 HydrophobicContact CE2-CD1 4.44Å; F361-E415 HydrophobicContact CB-CG 3.85Å; F361-E415 HydrophobicContact CD1-CG 4.35Å; F361-E415 HydrophobicContact CD2-CB 4.4Å; F361-E415 HydrophobicContact CD2-CG 3.63Å; F361-E415 HydrophobicContact CE2-CG 4.22Å; F361-E415 HydrophobicContact CG-CG 3.7Å
362	R	95.8	Very high	95.4	Very high	39 Å²	39	42.2 Å²	42.2	15%	0.147	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-48.9	173.7	-177.2	-179	70.1	-148.6	10.4	111.4	M286 R356 T358 F359 A364 R366	M286-R362 PolarHBondContact O-NH1 3.49Å; M286-R362 VanDerWaalsContact O-NH1 3.16Å; M286-R362 PolarHBondContact O-NH2 3.14Å; R356-R362 HydrophobicContact CB-CG 4.46Å; R356-R362 HydrophobicContact CG-CG 4.34Å; R356-R362 PolarHBondContact O-NH1 3.2Å; T358-R362 VanDerWaalsContact O-CB 3.28Å; T358-R362 WeakPolarHBondContact O-CB 3.39Å; T358-R362 PolarHBondContact O-N 3.35Å; F359-R362 PolarHBondContact O-N 2.75Å; R362-A364 VanDerWaalsContact C-N 3.34Å; R362-A364 PolarHBondContact O-N 3.06Å; R362-R366 WeakPolarHBondContact O-CB 3.49Å; R362-R366 PolarHBondContact O-N 3.46Å
363	Q	94.1	Very high	95.6	Very high	117 Å²	117	41.2 Å²	41.2	55%	0.547	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-41.3	-176.8	-170.8	176.9	42.3	0	0	111.7	F359 K360 F361	F359-Q363 WeakPolarHBondContact O-CB 3.06Å; F359-Q363 PolarHBondContact O-N 3.5Å; K360-Q363 PolarHBondContact O-N 3.11Å; F361-Q363 PolarHBondContact O-N 3.47Å
364	A	96.9	Very high	95.5	Very high	17 Å²	17	40.8 Å²	40.8	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-79.5	-39.2	-177.2	0	0	0	0	0	113.8	K360 F361 R362 E407 C408 Q411	K360-A364 WeakPolarHBondContact O-CB 3.4Å; K360-A364 PolarHBondContact O-N 2.69Å; F361-A364 PolarHBondContact O-N 2.93Å; R362-A364 VanDerWaalsContact C-N 3.34Å; R362-A364 PolarHBondContact O-N 3.06Å; A364-E407 HydrophobicContact CB-CB 4.15Å; A364-C408 WeakPolarHBondContact O-CB 3.25Å; A364-Q411 HydrophobicContact CB-CB 3.95Å; A364-Q411 HydrophobicContact CB-CG 3.49Å; A364-Q411 VanDerWaalsContact CB-CG 3.49Å
365	C	97.6	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-106.6	-6.1	-169.3	-70	0	0	0	0	115.3	F361 S367 D368 V369 L388 C408	F361-C365 HydrophobicContact CD2-CB 4.32Å; F361-C365 HydrophobicContact CE2-CB 4.14Å; F361-C365 VanDerWaalsContact CE2-SG 3.51Å; F361-C365 HydrophobicContact CZ-CB 4.49Å; F361-C365 VanDerWaalsContact O-CB 3.32Å; F361-C365 WeakPolarHBondContact O-CB 3.31Å; F361-C365 PolarHBondContact O-N 3.19Å; C365-S367 VanDerWaalsContact C-N 3.33Å; C365-S367 PolarHBondContact O-N 3.43Å; C365-D368 PolarHBondContact O-N 2.05Å; C365-V369 HydrophobicContact CB-CG2 4.13Å; C365-V369 WeakPolarHBondContact O-CG2 3.5Å; C365-V369 PolarHBondContact O-N 3.26Å; C365-L388 HydrophobicContact CB-CD1 4.16Å; C365-C408 WeakPolarHBondContact CA-SG 3.33Å; C365-C408 HydrophobicContact CB-CB 4Å; C365-C408 WeakPolarHBondContact CB-SG 3.36Å; C365-C408 WeakPolarHBondContact SG-CA 3.3Å; C365-C408 WeakPolarHBondContact SG-CB 3.02Å; C365-C408 PolarHBondContact SG-O 3.32Å; C365-C408 CovalentContact SG-SG 2.05Å; C365-C408 PolarHBondContact SG-SG 2.95Å
366	R	95.5	Very high	94.9	Very high	147 Å²	147	53.8 Å²	53.8	56%	0.555	26%	0.263	S	S	*	.	H	α-helix	trans	-48.7	-48.8	-174.3	172.7	177.4	-176.8	179.4	2.4	113.8	R362 D368 V369 E370	R362-R366 WeakPolarHBondContact O-CB 3.49Å; R362-R366 PolarHBondContact O-N 3.46Å; R366-D368 VanDerWaalsContact C-N 3.32Å; R366-D368 PolarHBondContact O-N 3.49Å; R366-V369 PolarHBondContact O-N 3.21Å; R366-E370 HydrophobicContact CG-CG 4.33Å; R366-E370 WeakPolarHBondContact CG-OE1 3.1Å; R366-E370 IonicContact CZ-OE1 3.81Å; R366-E370 IonicContact NE-OE1 2.87Å; R366-E370 PolarHBondContact NE-OE1 2.77Å; R366-E370 IonicContact NE-OE2 3.05Å; R366-E370 IonicContact NH2-OE1 3.46Å; R366-E370 PolarHBondContact NH2-OE1 3.24Å; R366-E370 WeakPolarHBondContact O-CB 3.35Å; R366-E370 VanDerWaalsContact O-CG 3.29Å; R366-E370 WeakPolarHBondContact O-CG 3.34Å; R366-E370 PolarHBondContact O-N 3.22Å
367	S	95.8	Very high	94.4	Very high	27 Å²	27	51.6 Å²	51.6	19%	0.189	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-40.6	-178.8	55.8	0	0	0	0	112.5	C365 Q371 K405	C365-S367 VanDerWaalsContact C-N 3.33Å; C365-S367 PolarHBondContact O-N 3.43Å; S367-Q371 WeakPolarHBondContact O-CB 3.33Å; S367-Q371 WeakPolarHBondContact O-CG 3.13Å; S367-Q371 PolarHBondContact O-N 3.37Å; S367-K405 WeakPolarHBondContact OG-CE 3.44Å; S367-K405 PolarHBondContact OG-NZ 2.92Å
368	D	97.1	Very high	94.1	Very high	7 Å²	7	55 Å²	55	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-74.4	-37.1	-173	-56.8	-3.2	0	0	0	109.1	C365 R366 H372 L388 L404 K405 C408	C365-D368 PolarHBondContact O-N 2.05Å; R366-D368 VanDerWaalsContact C-N 3.32Å; R366-D368 PolarHBondContact O-N 3.49Å; D368-H372 WeakPolarHBondContact O-CB 3.48Å; D368-H372 PolarHBondContact O-CD2 3.36Å; D368-H372 PolarHBondContact O-N 3.04Å; D368-L388 HydrophobicContact CB-CD2 4.27Å; D368-L404 HydrophobicContact CB-CD2 3.95Å; D368-K405 PolarHBondContact OD2-N 2.89Å; D368-C408 VanDerWaalsContact OD2-CB 3.3Å; D368-C408 WeakPolarHBondContact OD2-CB 3.19Å
369	V	97	Very high	93.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-49.7	172.8	173.3	0	0	0	0	111.7	F355 C365 R366 Q371 H372 C373 L374 I384 L388	F355-V369 HydrophobicContact CD1-CG1 4.45Å; F355-V369 HydrophobicContact CE1-CG1 3.86Å; F355-V369 HydrophobicContact CE2-CB 4.28Å; F355-V369 HydrophobicContact CE2-CG1 3.98Å; F355-V369 HydrophobicContact CE2-CG2 4.32Å; F355-V369 HydrophobicContact CZ-CB 4.29Å; F355-V369 HydrophobicContact CZ-CG1 3.59Å; C365-V369 HydrophobicContact CB-CG2 4.13Å; C365-V369 WeakPolarHBondContact O-CG2 3.5Å; C365-V369 PolarHBondContact O-N 3.26Å; R366-V369 PolarHBondContact O-N 3.21Å; V369-Q371 VanDerWaalsContact C-N 3.27Å; V369-Q371 PolarHBondContact O-N 3.1Å; V369-H372 PolarHBondContact O-N 3.02Å; V369-C373 HydrophobicContact CG1-CB 4.34Å; V369-C373 PolarHBondContact O-N 3.22Å; V369-L374 HydrophobicContact CG1-CD2 3.56Å; V369-L374 HydrophobicContact CG1-CG 3.84Å; V369-L374 PolarHBondContact O-N 2.81Å; V369-L374 VanDerWaalsContact O-N 3.1Å; V369-I384 HydrophobicContact CG1-CD1 3.93Å; V369-I384 HydrophobicContact CG1-CG2 4.18Å; V369-I384 HydrophobicContact CG2-CG2 3.5Å; V369-I384 VanDerWaalsContact CG2-CG2 3.5Å; V369-L388 HydrophobicContact CG2-CD1 3.9Å; V369-L388 HydrophobicContact CG2-CD2 4.3Å; V369-L388 HydrophobicContact CG2-CG 4.39Å
370	E	95.4	Very high	93.8	Very high	99 Å²	99	58.2 Å²	58.2	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-59.5	-37.5	178.9	-76.8	173.3	178.4	0	0	112	R366 L374	R366-E370 HydrophobicContact CG-CG 4.33Å; R366-E370 WeakPolarHBondContact CG-OE1 3.1Å; R366-E370 IonicContact CZ-OE1 3.81Å; R366-E370 IonicContact NE-OE1 2.87Å; R366-E370 PolarHBondContact NE-OE1 2.77Å; R366-E370 IonicContact NE-OE2 3.05Å; R366-E370 IonicContact NH2-OE1 3.46Å; R366-E370 PolarHBondContact NH2-OE1 3.24Å; R366-E370 WeakPolarHBondContact O-CB 3.35Å; R366-E370 VanDerWaalsContact O-CG 3.29Å; R366-E370 WeakPolarHBondContact O-CG 3.34Å; R366-E370 PolarHBondContact O-N 3.22Å; E370-L374 HydrophobicContact CB-CD1 4.27Å; E370-L374 HydrophobicContact CG-CD1 3.81Å
371	Q	95.1	Very high	93.7	Very high	138 Å²	138	56.8 Å²	56.8	65%	0.645	29%	0.291	S	S	*	.	H	α-helix	trans	-80.5	-33.5	-178.5	-71.5	176.7	9.4	0	0	114	S367 V369	S367-Q371 WeakPolarHBondContact O-CB 3.33Å; S367-Q371 WeakPolarHBondContact O-CG 3.13Å; S367-Q371 PolarHBondContact O-N 3.37Å; V369-Q371 VanDerWaalsContact C-N 3.27Å; V369-Q371 PolarHBondContact O-N 3.1Å
372	H	95.1	Very high	93.4	Very high	56 Å²	56	57 Å²	57	26%	0.259	29%	0.293	S	S	.	.	H	α-helix	trans	-124	-22.6	-164.7	-54.7	-46.1	0	0	0	115.5	D368 V369 I391 P402	D368-H372 WeakPolarHBondContact O-CB 3.48Å; D368-H372 PolarHBondContact O-CD2 3.36Å; D368-H372 PolarHBondContact O-N 3.04Å; V369-H372 PolarHBondContact O-N 3.02Å; H372-I391 HydrophobicContact CB-CD1 3.51Å; H372-P402 VanDerWaalsContact NE2-CB 3.33Å; H372-P402 WeakPolarHBondContact NE2-CB 3.47Å
373	C	95.9	Very high	93.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-40	-170.4	-66.2	0	0	0	0	114.9	V369 A375 K376 S377 I384 C387	V369-C373 HydrophobicContact CG1-CB 4.34Å; V369-C373 PolarHBondContact O-N 3.22Å; C373-A375 PolarHBondContact O-N 3.13Å; C373-K376 PolarHBondContact O-N 3.25Å; C373-S377 PolarHBondContact O-N 3.21Å; C373-I384 HydrophobicContact CB-CD1 3.9Å; C373-C387 WeakPolarHBondContact CA-SG 3.45Å; C373-C387 HydrophobicContact CB-CB 3.89Å; C373-C387 WeakPolarHBondContact CB-SG 3.34Å; C373-C387 WeakPolarHBondContact SG-CB 3.33Å; C373-C387 CovalentContact SG-SG 2.05Å; C373-C387 PolarHBondContact SG-SG 3.15Å
374	L	90.1	Very high	93.3	Very high	67 Å²	67	50 Å²	50	35%	0.351	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.1	-171.4	-66.9	-173.6	0	0	0	114.5	F355 V369 E370 K376 N379 I384	F355-L374 HydrophobicContact CE1-CD2 4.01Å; V369-L374 HydrophobicContact CG1-CD2 3.56Å; V369-L374 HydrophobicContact CG1-CG 3.84Å; V369-L374 PolarHBondContact O-N 2.81Å; V369-L374 VanDerWaalsContact O-N 3.1Å; E370-L374 HydrophobicContact CB-CD1 4.27Å; E370-L374 HydrophobicContact CG-CD1 3.81Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-N379 VanDerWaalsContact CD2-OD1 3.22Å; L374-N379 WeakPolarHBondContact CD2-OD1 3.38Å; L374-I384 HydrophobicContact CD2-CD1 4.49Å
375	A	89.5	Confident	93.2	Very high	101 Å²	101	49.3 Å²	49.3	84%	0.835	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-15.3	178.5	0	0	0	0	0	113.9	C373	C373-A375 PolarHBondContact O-N 3.13Å
376	K	88.3	Confident	92.9	Very high	182 Å²	182	52.5 Å²	52.5	79%	0.791	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-18.1	-168.5	-61.5	178.5	-176.3	174	0	114.1	C373 L374	C373-K376 PolarHBondContact O-N 3.25Å; L374-K376 VanDerWaalsContact C-N 3.32Å
377	S	85.5	Confident	92.8	Very high	13 Å²	13	46 Å²	46	9%	0.091	25%	0.246	C	C	.	.	S	Bend	trans	-129.1	143.1	-174.7	-62.7	0	0	0	0	109.9	C373	C373-S377 PolarHBondContact O-N 3.21Å
378	P	89.4	Confident	92.8	Very high	79 Å²	79	44.7 Å²	44.7	51%	0.513	24%	0.237	S	C	.	.			trans	-59.6	161.3	169.2	-12.6	24.1	0	0	0	111.4	D380 I384	P378-D380 WeakPolarHBondContact CB-OD2 3.44Å; P378-D380 PolarHBondContact O-N 3.48Å; P378-I384 WeakPolarHBondContact O-CD1 3.32Å
379	N	91.1	Very high	92.7	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	24%	0.237	S	C	.	.	S	Bend	trans	-75.7	-3.4	-177	-66.8	-20.5	0	0	0	113.9	D354 F355 L374	D354-N379 CarbonylContact C-O 3.59Å; D354-N379 VanDerWaalsContact CA-O 3.32Å; D354-N379 WeakPolarHBondContact CA-O 3.34Å; F355-N379 WeakPolarHBondContact CD1-O 3.3Å; F355-N379 PolarHBondContact N-O 2.65Å; L374-N379 VanDerWaalsContact CD2-OD1 3.22Å; L374-N379 WeakPolarHBondContact CD2-OD1 3.38Å
380	D	92.1	Very high	92.3	Very high	32 Å²	32	48 Å²	48	17%	0.171	25%	0.253	C	S	.	.	S	Bend	trans	-62.9	150.8	177.4	75.5	84.4	0	0	0	110.9	M352 P378 A382 S383 I384	M352-D380 WeakPolarHBondContact O-CB 3.41Å; P378-D380 WeakPolarHBondContact CB-OD2 3.44Å; P378-D380 PolarHBondContact O-N 3.48Å; D380-A382 VanDerWaalsContact C-N 3.33Å; D380-A382 PolarHBondContact O-N 3.33Å; D380-A382 PolarHBondContact OD1-N 3.34Å; D380-A382 VanDerWaalsContact OD1-N 3.17Å; D380-S383 VanDerWaalsContact CG-OG 3.3Å; D380-S383 WeakPolarHBondContact OD1-CB 3.46Å; D380-S383 PolarHBondContact OD1-N 3.38Å; D380-S383 PolarHBondContact OD1-OG 3.07Å; D380-S383 VanDerWaalsContact OD2-CB 3.24Å; D380-S383 WeakPolarHBondContact OD2-CB 3.21Å; D380-S383 PolarHBondContact OD2-OG 2.84Å; D380-I384 WeakPolarHBondContact O-CG1 3.34Å; D380-I384 PolarHBondContact O-N 3.31Å
381	K	93.1	Very high	92.2	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.03	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-41.2	-171.9	-171.4	-170.8	-64.4	-174.4	0	111.8	S351 M352 T358 I384 V385 E415	S351-K381 WeakPolarHBondContact O-CE 3.11Å; S351-K381 PolarHBondContact OG-NZ 3.36Å; M352-K381 HydrophobicContact CE-CB 3.94Å; M352-K381 HydrophobicContact CE-CD 4.34Å; M352-K381 HydrophobicContact CE-CG 4.44Å; M352-K381 PolarHBondContact O-N 3.01Å; M352-K381 HydrophobicContact SD-CB 4.09Å; M352-K381 HydrophobicContact SD-CD 3.75Å; M352-K381 HydrophobicContact SD-CG 4.4Å; T358-K381 WeakPolarHBondContact OG1-CE 3.26Å; T358-K381 PolarHBondContact OG1-NZ 3.49Å; K381-I384 PolarHBondContact O-N 2.83Å; K381-V385 HydrophobicContact CG-CG2 4.14Å; K381-V385 WeakPolarHBondContact O-CB 3Å; K381-V385 WeakPolarHBondContact O-CG2 3.07Å; K381-V385 PolarHBondContact O-N 3.37Å; K381-E415 WeakPolarHBondContact CD-OE2 3.02Å; K381-E415 WeakPolarHBondContact CE-OE2 3.45Å; K381-E415 IonicContact NZ-OE2 2.8Å; K381-E415 PolarHBondContact NZ-OE2 2.9Å
382	A	91	Very high	92.1	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-46.2	-175.5	0	0	0	0	0	111.4	M352 D380 I384 V385 R386 M419	M352-A382 HydrophobicContact CE-CB 3.89Å; D380-A382 VanDerWaalsContact C-N 3.33Å; D380-A382 PolarHBondContact O-N 3.33Å; D380-A382 PolarHBondContact OD1-N 3.34Å; D380-A382 VanDerWaalsContact OD1-N 3.17Å; A382-I384 VanDerWaalsContact C-N 3.33Å; A382-I384 PolarHBondContact O-N 2.89Å; A382-V385 PolarHBondContact O-N 2.92Å; A382-R386 WeakPolarHBondContact O-CB 3.45Å; A382-R386 PolarHBondContact O-N 2.91Å; A382-M419 HydrophobicContact CB-CE 3.6Å
383	S	92	Very high	91.8	Very high	8 Å²	8	36.4 Å²	36.4	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-41.7	175.6	-68.2	0	0	0	0	112.7	D380 C387	D380-S383 VanDerWaalsContact CG-OG 3.3Å; D380-S383 WeakPolarHBondContact OD1-CB 3.46Å; D380-S383 PolarHBondContact OD1-N 3.38Å; D380-S383 PolarHBondContact OD1-OG 3.07Å; D380-S383 VanDerWaalsContact OD2-CB 3.24Å; D380-S383 WeakPolarHBondContact OD2-CB 3.21Å; D380-S383 PolarHBondContact OD2-OG 2.84Å; S383-C387 WeakPolarHBondContact O-CB 3.34Å; S383-C387 PolarHBondContact O-N 2.81Å
384	I	95.4	Very high	91.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-43.9	178.8	-64.8	-56.5	0	0	0	111.8	F355 F361 V369 C373 L374 P378 D380 K381 A382 R386 C387 L388	F355-I384 HydrophobicContact CB-CB 4.2Å; F355-I384 HydrophobicContact CB-CG1 4.12Å; F355-I384 HydrophobicContact CB-CG2 4.28Å; F355-I384 HydrophobicContact CD1-CG1 3.95Å; F355-I384 HydrophobicContact CG-CG1 4.17Å; F355-I384 HydrophobicContact CG-CG2 4.34Å; F361-I384 HydrophobicContact CE1-CG2 3.92Å; F361-I384 HydrophobicContact CZ-CG2 4.06Å; V369-I384 HydrophobicContact CG1-CD1 3.93Å; V369-I384 HydrophobicContact CG1-CG2 4.18Å; V369-I384 HydrophobicContact CG2-CG2 3.5Å; V369-I384 VanDerWaalsContact CG2-CG2 3.5Å; C373-I384 HydrophobicContact CB-CD1 3.9Å; L374-I384 HydrophobicContact CD2-CD1 4.49Å; P378-I384 WeakPolarHBondContact O-CD1 3.32Å; D380-I384 WeakPolarHBondContact O-CG1 3.34Å; D380-I384 PolarHBondContact O-N 3.31Å; K381-I384 PolarHBondContact O-N 2.83Å; A382-I384 VanDerWaalsContact C-N 3.33Å; A382-I384 PolarHBondContact O-N 2.89Å; I384-R386 VanDerWaalsContact C-N 3.29Å; I384-R386 PolarHBondContact O-N 3.27Å; I384-C387 PolarHBondContact O-N 3.01Å; I384-L388 HydrophobicContact CG2-CD1 4.03Å; I384-L388 HydrophobicContact CG2-CG 4.42Å; I384-L388 WeakPolarHBondContact O-CG 3.43Å; I384-L388 PolarHBondContact O-N 3.09Å
385	V	94.5	Very high	91.3	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-58.8	-43.7	174.7	166.8	0	0	0	0	110.2	F361 K381 A382 S389 L412 E415 Y416 M419	F361-V385 HydrophobicContact CE1-CG2 4.3Å; F361-V385 HydrophobicContact CZ-CG2 3.89Å; K381-V385 HydrophobicContact CG-CG2 4.14Å; K381-V385 WeakPolarHBondContact O-CB 3Å; K381-V385 WeakPolarHBondContact O-CG2 3.07Å; K381-V385 PolarHBondContact O-N 3.37Å; A382-V385 PolarHBondContact O-N 2.92Å; V385-S389 VanDerWaalsContact O-CB 3.3Å; V385-S389 WeakPolarHBondContact O-CB 3.48Å; V385-S389 PolarHBondContact O-N 3.2Å; V385-S389 PolarHBondContact O-OG 2.77Å; V385-L412 HydrophobicContact CB-CD1 4.25Å; V385-L412 HydrophobicContact CG1-CD1 3.92Å; V385-L412 HydrophobicContact CG2-CD1 4.31Å; V385-E415 HydrophobicContact CG2-CB 4.07Å; V385-Y416 HydrophobicContact CG1-CD2 4.02Å; V385-M419 HydrophobicContact CB-SD 4.09Å; V385-M419 HydrophobicContact CG1-SD 4.09Å; V385-M419 HydrophobicContact CG2-SD 4Å
386	R	91.5	Very high	91	Very high	67 Å²	67	37 Å²	37	25%	0.253	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-49	175.6	-175	176.9	56	59.5	9	112	A382 I384 L388 S389 E390 D429	A382-R386 WeakPolarHBondContact O-CB 3.45Å; A382-R386 PolarHBondContact O-N 2.91Å; I384-R386 VanDerWaalsContact C-N 3.29Å; I384-R386 PolarHBondContact O-N 3.27Å; R386-L388 PolarHBondContact O-N 3.06Å; R386-S389 PolarHBondContact O-N 3.2Å; R386-E390 WeakPolarHBondContact CG-OE1 3.43Å; R386-E390 IonicContact NH1-OE1 2.59Å; R386-E390 PolarHBondContact NH1-OE1 2.04Å; R386-E390 IonicContact NH1-OE2 3.64Å; R386-E390 WeakPolarHBondContact O-CG 3.41Å; R386-E390 PolarHBondContact O-N 3.33Å; R386-D429 IonicContact NE-OD2 2.84Å; R386-D429 PolarHBondContact NE-OD2 3.01Å
387	C	94.6	Very high	90.5	Very high	10 Å²	10	28.8 Å²	28.8	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-48.3	178.3	174	0	0	0	0	112.4	C373 S383 I384 S389 E390 I391	C373-C387 WeakPolarHBondContact CA-SG 3.45Å; C373-C387 HydrophobicContact CB-CB 3.89Å; C373-C387 WeakPolarHBondContact CB-SG 3.34Å; C373-C387 WeakPolarHBondContact SG-CB 3.33Å; C373-C387 CovalentContact SG-SG 2.05Å; C373-C387 PolarHBondContact SG-SG 3.15Å; S383-C387 WeakPolarHBondContact O-CB 3.34Å; S383-C387 PolarHBondContact O-N 2.81Å; I384-C387 PolarHBondContact O-N 3.01Å; C387-S389 VanDerWaalsContact C-N 3.34Å; C387-S389 PolarHBondContact O-N 3.38Å; C387-E390 PolarHBondContact O-N 3.46Å; C387-I391 WeakPolarHBondContact O-CG1 3.35Å; C387-I391 PolarHBondContact O-N 2.89Å
388	L	95.8	Very high	90.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-37.7	178.6	-66.9	173.7	0	0	0	111.7	F361 C365 D368 V369 I384 R386 I391 M392 L404 L412	F361-L388 HydrophobicContact CE2-CD1 4.15Å; F361-L388 HydrophobicContact CZ-CD1 3.78Å; C365-L388 HydrophobicContact CB-CD1 4.16Å; D368-L388 HydrophobicContact CB-CD2 4.27Å; V369-L388 HydrophobicContact CG2-CD1 3.9Å; V369-L388 HydrophobicContact CG2-CD2 4.3Å; V369-L388 HydrophobicContact CG2-CG 4.39Å; I384-L388 HydrophobicContact CG2-CD1 4.03Å; I384-L388 HydrophobicContact CG2-CG 4.42Å; I384-L388 WeakPolarHBondContact O-CG 3.43Å; I384-L388 PolarHBondContact O-N 3.09Å; R386-L388 PolarHBondContact O-N 3.06Å; L388-I391 PolarHBondContact O-N 3.15Å; L388-M392 WeakPolarHBondContact O-CB 3.06Å; L388-M392 PolarHBondContact O-N 3.08Å; L388-L404 HydrophobicContact CB-CD1 4.03Å; L388-L404 HydrophobicContact CD2-CD1 4.16Å; L388-L404 HydrophobicContact CD2-CD2 3.8Å; L388-L404 WeakPolarHBondContact O-CD1 3.37Å; L388-L412 HydrophobicContact CB-CD1 3.84Å; L388-L412 HydrophobicContact CB-CD2 3.86Å; L388-L412 HydrophobicContact CB-CG 4.47Å; L388-L412 HydrophobicContact CD1-CD1 4.3Å
389	S	93.6	Very high	89.5	Confident	7 Å²	7	30.5 Å²	30.5	5%	0.049	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-42.5	175.7	-57.3	0	0	0	0	111.7	V385 R386 C387 M392 I393	V385-S389 VanDerWaalsContact O-CB 3.3Å; V385-S389 WeakPolarHBondContact O-CB 3.48Å; V385-S389 PolarHBondContact O-N 3.2Å; V385-S389 PolarHBondContact O-OG 2.77Å; R386-S389 PolarHBondContact O-N 3.2Å; C387-S389 VanDerWaalsContact C-N 3.34Å; C387-S389 PolarHBondContact O-N 3.38Å; S389-M392 PolarHBondContact O-N 3.01Å; S389-I393 WeakPolarHBondContact O-CD1 3.45Å; S389-I393 VanDerWaalsContact O-CG1 3.31Å; S389-I393 WeakPolarHBondContact O-CG1 3.48Å; S389-I393 PolarHBondContact O-N 2.86Å
390	E	90.5	Very high	89	Confident	69 Å²	69	31.7 Å²	31.7	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-61.1	-44.5	174.9	-74	171.2	-168.5	0	0	111.5	R386 C387 M392 I393 V394 R473	R386-E390 WeakPolarHBondContact CG-OE1 3.43Å; R386-E390 IonicContact NH1-OE1 2.59Å; R386-E390 PolarHBondContact NH1-OE1 2.04Å; R386-E390 IonicContact NH1-OE2 3.64Å; R386-E390 WeakPolarHBondContact O-CG 3.41Å; R386-E390 PolarHBondContact O-N 3.33Å; C387-E390 PolarHBondContact O-N 3.46Å; E390-M392 VanDerWaalsContact C-N 3.33Å; E390-M392 PolarHBondContact O-N 2.89Å; E390-I393 PolarHBondContact O-N 3.16Å; E390-V394 VanDerWaalsContact O-CG2 3.31Å; E390-V394 WeakPolarHBondContact O-CG2 3.12Å; E390-V394 PolarHBondContact O-N 2.57Å; E390-R473 IonicContact OE1-NH1 3.97Å
391	I	93.1	Very high	88.6	Confident	27 Å²	27	32.7 Å²	32.7	14%	0.138	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-46	174.8	-70.2	165.4	0	0	0	110.8	H372 C387 L388 V394 H395 P402 L404	H372-I391 HydrophobicContact CB-CD1 3.51Å; C387-I391 WeakPolarHBondContact O-CG1 3.35Å; C387-I391 PolarHBondContact O-N 2.89Å; L388-I391 PolarHBondContact O-N 3.15Å; I391-V394 PolarHBondContact O-N 3.4Å; I391-H395 WeakPolarHBondContact O-CB 3.46Å; I391-H395 PolarHBondContact O-N 2.89Å; I391-P402 HydrophobicContact CG2-CG 3.79Å; I391-P402 WeakPolarHBondContact CG2-O 3.01Å; I391-L404 HydrophobicContact CG2-CD2 3.85Å; I391-L404 HydrophobicContact CG2-CG 4.01Å
392	M	92	Very high	88.5	Confident	7 Å²	7	34.7 Å²	34.7	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-43.5	-179.3	-171.9	-179.8	73.3	0	0	111.9	L388 S389 E390 H395 L396 L404 R409 L412 L477 F484	L388-M392 WeakPolarHBondContact O-CB 3.06Å; L388-M392 PolarHBondContact O-N 3.08Å; S389-M392 PolarHBondContact O-N 3.01Å; E390-M392 VanDerWaalsContact C-N 3.33Å; E390-M392 PolarHBondContact O-N 2.89Å; M392-H395 PolarHBondContact O-N 2.97Å; M392-L396 HydrophobicContact CG-CD1 3.78Å; M392-L396 HydrophobicContact CG-CG 4.43Å; M392-L396 WeakPolarHBondContact O-CB 3.34Å; M392-L396 VanDerWaalsContact O-CG 3.28Å; M392-L396 WeakPolarHBondContact O-CG 3.47Å; M392-L396 PolarHBondContact O-N 3.46Å; M392-L404 HydrophobicContact CB-CD1 4.17Å; M392-R409 HydrophobicContact SD-CG 4.2Å; M392-L412 HydrophobicContact SD-CD2 4.28Å; M392-L477 HydrophobicContact CE-CD1 3.4Å; M392-L477 VanDerWaalsContact CE-CD1 3.4Å; M392-F484 HydrophobicContact CE-CD2 4.14Å; M392-F484 HydrophobicContact CE-CE2 3.2Å; M392-F484 HydrophobicContact CE-CZ 3.5Å; M392-F484 VanDerWaalsContact CE-CZ 3.5Å; M392-F484 HydrophobicContact SD-CE2 4.28Å; M392-F484 HydrophobicContact SD-CZ 4.42Å
393	I	88.9	Confident	88.6	Confident	15 Å²	15	40.2 Å²	40.2	8%	0.077	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-49.2	175.4	-70.2	158.9	0	0	0	110.7	S389 E390 H395 L396 M397 K476 L477	S389-I393 WeakPolarHBondContact O-CD1 3.45Å; S389-I393 VanDerWaalsContact O-CG1 3.31Å; S389-I393 WeakPolarHBondContact O-CG1 3.48Å; S389-I393 PolarHBondContact O-N 2.86Å; E390-I393 PolarHBondContact O-N 3.16Å; I393-H395 VanDerWaalsContact C-N 3.34Å; I393-H395 PolarHBondContact O-N 2.8Å; I393-L396 PolarHBondContact O-N 3.44Å; I393-M397 HydrophobicContact CG2-CE 3.93Å; I393-M397 HydrophobicContact CG2-CG 4.15Å; I393-M397 HydrophobicContact CG2-SD 3.75Å; I393-M397 WeakPolarHBondContact O-CB 3.36Å; I393-M397 WeakPolarHBondContact O-CG 3.39Å; I393-M397 PolarHBondContact O-N 3.34Å; I393-K476 HydrophobicContact CD1-CB 4.33Å; I393-K476 HydrophobicContact CG2-CB 4.34Å; I393-L477 HydrophobicContact CD1-CB 3.89Å; I393-L477 HydrophobicContact CD1-CD1 3.89Å; I393-L477 HydrophobicContact CD1-CG 4.45Å; I393-L477 HydrophobicContact CG1-CB 4.36Å; I393-L477 HydrophobicContact CG1-CD1 3.76Å
394	V	86.2	Confident	88.8	Confident	60 Å²	60	40.1 Å²	40.1	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-61.4	-44.5	-178.3	170.5	0	0	0	0	110.7	E390 I391 L398 E400	E390-V394 VanDerWaalsContact O-CG2 3.31Å; E390-V394 WeakPolarHBondContact O-CG2 3.12Å; E390-V394 PolarHBondContact O-N 2.57Å; I391-V394 PolarHBondContact O-N 3.4Å; V394-L398 HydrophobicContact CG1-CD1 4.22Å; V394-L398 WeakPolarHBondContact O-CB 3.34Å; V394-L398 PolarHBondContact O-N 3.13Å; V394-E400 CarbonylContact C-O 3.43Å; V394-E400 HydrophobicContact CG1-CB 4.45Å
395	H	88.7	Confident	88.8	Confident	50 Å²	50	45.6 Å²	45.6	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-47.4	177	-175.5	78.7	0	0	0	112.4	I391 M392 I393 G399 E400 G401	I391-H395 WeakPolarHBondContact O-CB 3.46Å; I391-H395 PolarHBondContact O-N 2.89Å; M392-H395 PolarHBondContact O-N 2.97Å; I393-H395 VanDerWaalsContact C-N 3.34Å; I393-H395 PolarHBondContact O-N 2.8Å; H395-G399 WeakPolarHBondContact O-CA 3.23Å; H395-G399 PolarHBondContact O-N 3.03Å; H395-E400 WeakPolarHBondContact CA-O 3.33Å; H395-E400 PolarHBondContact N-O 3.39Å; H395-G401 PolarHBondContact ND1-O 3.11Å
396	L	83.1	Confident	88.8	Confident	71 Å²	71	53 Å²	53	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-71.8	-37.5	-177.2	-69	173	0	0	0	113.2	M392 I393 V480	M392-L396 HydrophobicContact CG-CD1 3.78Å; M392-L396 HydrophobicContact CG-CG 4.43Å; M392-L396 WeakPolarHBondContact O-CB 3.34Å; M392-L396 VanDerWaalsContact O-CG 3.28Å; M392-L396 WeakPolarHBondContact O-CG 3.47Å; M392-L396 PolarHBondContact O-N 3.46Å; I393-L396 PolarHBondContact O-N 3.44Å; L396-V480 HydrophobicContact CB-CG1 3.5Å; L396-V480 VanDerWaalsContact CB-CG1 3.5Å; L396-V480 HydrophobicContact CD1-CG1 3.25Å; L396-V480 HydrophobicContact CG-CG1 3.99Å
397	M	78.7	Confident	89	Confident	10 Å²	10	55 Å²	55	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-81.4	-44.7	-179.1	-69.7	-170	175.3	0	0	113.2	I393 K476 V480 R541 F547	I393-M397 HydrophobicContact CG2-CE 3.93Å; I393-M397 HydrophobicContact CG2-CG 4.15Å; I393-M397 HydrophobicContact CG2-SD 3.75Å; I393-M397 WeakPolarHBondContact O-CB 3.36Å; I393-M397 WeakPolarHBondContact O-CG 3.39Å; I393-M397 PolarHBondContact O-N 3.34Å; M397-K476 HydrophobicContact CE-CB 3.83Å; M397-K476 HydrophobicContact CE-CD 4.41Å; M397-K476 HydrophobicContact CE-CG 3.94Å; M397-V480 HydrophobicContact CE-CG2 3.13Å; M397-V480 HydrophobicContact CG-CG2 3.5Å; M397-V480 HydrophobicContact SD-CG2 4.12Å; M397-R541 HydrophobicContact CE-CB 4.38Å; M397-R541 WeakPolarHBondContact CE-O 3.36Å; M397-R541 HydrophobicContact SD-CB 4.26Å; M397-F547 HydrophobicContact CB-CD1 4.24Å; M397-F547 HydrophobicContact CB-CE1 4.31Å; M397-F547 WeakPolarHBondContact O-CD1 3.43Å
398	L	76	Confident	89.1	Confident	63 Å²	63	54.6 Å²	54.6	33%	0.33	30%	0.296	S	S	.	.	H	α-helix	trans	-102.4	-15.1	-170.3	-66.7	164.7	0	0	0	113.1	V394 E400 F547	V394-L398 HydrophobicContact CG1-CD1 4.22Å; V394-L398 WeakPolarHBondContact O-CB 3.34Å; V394-L398 PolarHBondContact O-N 3.13Å; L398-E400 HydrophobicContact CB-CB 4.04Å; L398-E400 HydrophobicContact CB-CG 4.06Å; L398-E400 PolarHBondContact O-N 3.05Å; L398-F547 HydrophobicContact CD2-CE1 3.48Å; L398-F547 VanDerWaalsContact CD2-CE1 3.48Å; L398-F547 HydrophobicContact CD2-CZ 3.77Å; L398-F547 HydrophobicContact CG-CE1 4.14Å
399	G	76.6	Confident	89.1	Confident	64 Å²	64	57.4 Å²	57.4	66%	0.66	31%	0.307	S	S	*	.	S	Bend	trans	65	19.2	-168.4	0	0	0	0	0	112.6	H395	H395-G399 WeakPolarHBondContact O-CA 3.23Å; H395-G399 PolarHBondContact O-N 3.03Å
400	E	81.3	Confident	89.1	Confident	89 Å²	89	63.2 Å²	63.2	42%	0.416	33%	0.331	S	S	.	.			trans	-111.9	153.3	-177	-67.4	-178.2	-175.2	0	0	110.3	V394 H395 L398 R555	V394-E400 CarbonylContact C-O 3.43Å; V394-E400 HydrophobicContact CG1-CB 4.45Å; H395-E400 WeakPolarHBondContact CA-O 3.33Å; H395-E400 PolarHBondContact N-O 3.39Å; L398-E400 HydrophobicContact CB-CB 4.04Å; L398-E400 HydrophobicContact CB-CG 4.06Å; L398-E400 PolarHBondContact O-N 3.05Å; E400-R555 IonicContact OE1-NH1 3.47Å
401	G	83.9	Confident	89.4	Confident	54 Å²	54	61.3 Å²	61.3	56%	0.557	32%	0.322	S	S	*	.	S	Bend	trans	82.2	176.4	177.6	0	0	0	0	0	114.7	H395	H395-G401 PolarHBondContact ND1-O 3.11Å
402	P	91.8	Very high	89.5	Confident	49 Å²	49	60 Å²	60	32%	0.318	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-72.8	141.3	-172.7	28.2	-31.5	0	0	0	112	H372 I391	H372-P402 VanDerWaalsContact NE2-CB 3.33Å; H372-P402 WeakPolarHBondContact NE2-CB 3.47Å; I391-P402 HydrophobicContact CG2-CG 3.79Å; I391-P402 WeakPolarHBondContact CG2-O 3.01Å
403	E	93	Very high	89.6	Confident	121 Å²	121	62.7 Å²	62.7	57%	0.565	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-83.1	124.6	170.3	-169.3	-177.2	175.5	0	0	110	R409	E403-R409 IonicContact OE1-CZ 3.38Å; E403-R409 IonicContact OE1-NH1 2.75Å; E403-R409 IonicContact OE1-NH2 3.15Å; E403-R409 PolarHBondContact OE1-NH2 2.8Å
404	L	94.6	Very high	89.8	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-72	144.2	174.6	-60.7	-176.1	0	0	0	111.6	D368 L388 I391 M392 R409 L412	D368-L404 HydrophobicContact CB-CD2 3.95Å; L388-L404 HydrophobicContact CB-CD1 4.03Å; L388-L404 HydrophobicContact CD2-CD1 4.16Å; L388-L404 HydrophobicContact CD2-CD2 3.8Å; L388-L404 WeakPolarHBondContact O-CD1 3.37Å; I391-L404 HydrophobicContact CG2-CD2 3.85Å; I391-L404 HydrophobicContact CG2-CG 4.01Å; M392-L404 HydrophobicContact CB-CD1 4.17Å; L404-R409 HydrophobicContact CB-CG 3.87Å; L404-R409 PolarHBondContact O-NE 2.77Å; L404-L412 HydrophobicContact CD1-CD2 4.2Å
405	K	95.9	Very high	90.1	Very high	116 Å²	116	60.7 Å²	60.7	50%	0.504	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-59.1	145.7	177.1	-70	178.4	-179.8	175.5	0	110.9	S367 D368 E407 C408 R409	S367-K405 WeakPolarHBondContact OG-CE 3.44Å; S367-K405 PolarHBondContact OG-NZ 2.92Å; D368-K405 PolarHBondContact OD2-N 2.89Å; K405-E407 VanDerWaalsContact C-N 3.29Å; K405-E407 PolarHBondContact O-N 3.34Å; K405-C408 HydrophobicContact CB-CB 4.27Å; K405-C408 WeakPolarHBondContact O-CA 3.38Å; K405-C408 WeakPolarHBondContact O-CB 3.41Å; K405-C408 PolarHBondContact O-N 3.18Å; K405-R409 PolarHBondContact O-N 3.34Å
406	K	94.6	Very high	90.3	Very high	160 Å²	160	58.8 Å²	58.8	70%	0.696	31%	0.309	S	S	*	.	H	α-helix	trans	-54.8	-44.2	179.9	-173.7	179.8	179.3	179.6	0	112.5	C408 R409 K410	K406-C408 VanDerWaalsContact C-N 3.34Å; K406-C408 PolarHBondContact O-N 3.31Å; K406-R409 PolarHBondContact O-N 3.14Å; K406-K410 PolarHBondContact O-N 2.88Å
407	E	96	Very high	90.7	Very high	109 Å²	109	60.3 Å²	60.3	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-39.6	176.7	-61.3	-49.8	129.6	0	0	111.9	A364 K405 K410 Q411	A364-E407 HydrophobicContact CB-CB 4.15Å; K405-E407 VanDerWaalsContact C-N 3.29Å; K405-E407 PolarHBondContact O-N 3.34Å; E407-K410 PolarHBondContact O-N 3.37Å; E407-Q411 PolarHBondContact O-N 3.43Å
408	C	97.6	Very high	91.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-44.6	176	-178.1	0	0	0	0	111.5	A364 C365 D368 K405 K406 K410 Q411 L412	A364-C408 WeakPolarHBondContact O-CB 3.25Å; C365-C408 WeakPolarHBondContact CA-SG 3.33Å; C365-C408 HydrophobicContact CB-CB 4Å; C365-C408 WeakPolarHBondContact CB-SG 3.36Å; C365-C408 WeakPolarHBondContact SG-CA 3.3Å; C365-C408 WeakPolarHBondContact SG-CB 3.02Å; C365-C408 PolarHBondContact SG-O 3.32Å; C365-C408 CovalentContact SG-SG 2.05Å; C365-C408 PolarHBondContact SG-SG 2.95Å; D368-C408 VanDerWaalsContact OD2-CB 3.3Å; D368-C408 WeakPolarHBondContact OD2-CB 3.19Å; K405-C408 HydrophobicContact CB-CB 4.27Å; K405-C408 WeakPolarHBondContact O-CA 3.38Å; K405-C408 WeakPolarHBondContact O-CB 3.41Å; K405-C408 PolarHBondContact O-N 3.18Å; K406-C408 VanDerWaalsContact C-N 3.34Å; K406-C408 PolarHBondContact O-N 3.31Å; C408-K410 VanDerWaalsContact C-N 3.3Å; C408-K410 PolarHBondContact O-N 2.91Å; C408-Q411 PolarHBondContact O-N 2.93Å; C408-L412 VanDerWaalsContact O-CB 3.26Å; C408-L412 WeakPolarHBondContact O-CB 3.19Å; C408-L412 PolarHBondContact O-N 2.99Å
409	R	94.9	Very high	91.7	Very high	59 Å²	59	59.4 Å²	59.4	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-42.5	174.7	-74.7	-172.6	-84.2	179.4	-12.6	112.5	M392 E403 L404 K405 K406 L412 R413	M392-R409 HydrophobicContact SD-CG 4.2Å; E403-R409 IonicContact OE1-CZ 3.38Å; E403-R409 IonicContact OE1-NH1 2.75Å; E403-R409 IonicContact OE1-NH2 3.15Å; E403-R409 PolarHBondContact OE1-NH2 2.8Å; L404-R409 HydrophobicContact CB-CG 3.87Å; L404-R409 PolarHBondContact O-NE 2.77Å; K405-R409 PolarHBondContact O-N 3.34Å; K406-R409 PolarHBondContact O-N 3.14Å; R409-L412 PolarHBondContact O-N 2.98Å; R409-R413 WeakPolarHBondContact O-CG 3.32Å; R409-R413 PolarHBondContact O-N 3.29Å; R409-R413 VanDerWaalsContact O-N 3.11Å
410	K	94.6	Very high	92.3	Very high	129 Å²	129	56.5 Å²	56.5	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-61.4	-46.8	176.5	-176.3	-177.8	176.1	-174.4	0	111.8	K406 E407 C408 A414	K406-K410 PolarHBondContact O-N 2.88Å; E407-K410 PolarHBondContact O-N 3.37Å; C408-K410 VanDerWaalsContact C-N 3.3Å; C408-K410 PolarHBondContact O-N 2.91Å; K410-A414 PolarHBondContact O-N 2.88Å
411	Q	95.7	Very high	92.5	Very high	29 Å²	29	54.6 Å²	54.6	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-72.8	-31.4	178.8	-67.7	-59.8	-35.8	0	0	112.7	F361 A364 E407 C408 R413 A414 E415	F361-Q411 HydrophobicContact CD2-CB 4.04Å; A364-Q411 HydrophobicContact CB-CB 3.95Å; A364-Q411 HydrophobicContact CB-CG 3.49Å; A364-Q411 VanDerWaalsContact CB-CG 3.49Å; E407-Q411 PolarHBondContact O-N 3.43Å; C408-Q411 PolarHBondContact O-N 2.93Å; Q411-R413 PolarHBondContact O-N 3.41Å; Q411-A414 PolarHBondContact O-N 2.84Å; Q411-E415 WeakPolarHBondContact O-CG 3.28Å; Q411-E415 PolarHBondContact O-N 3.07Å
412	L	96.2	Very high	92.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-46.8	173.4	179.2	63.1	0	0	0	111.1	F361 V385 L388 M392 L404 C408 R409 A414 E415 Y416 F484	F361-L412 HydrophobicContact CE2-CD1 4.44Å; V385-L412 HydrophobicContact CB-CD1 4.25Å; V385-L412 HydrophobicContact CG1-CD1 3.92Å; V385-L412 HydrophobicContact CG2-CD1 4.31Å; L388-L412 HydrophobicContact CB-CD1 3.84Å; L388-L412 HydrophobicContact CB-CD2 3.86Å; L388-L412 HydrophobicContact CB-CG 4.47Å; L388-L412 HydrophobicContact CD1-CD1 4.3Å; M392-L412 HydrophobicContact SD-CD2 4.28Å; L404-L412 HydrophobicContact CD1-CD2 4.2Å; C408-L412 VanDerWaalsContact O-CB 3.26Å; C408-L412 WeakPolarHBondContact O-CB 3.19Å; C408-L412 PolarHBondContact O-N 2.99Å; R409-L412 PolarHBondContact O-N 2.98Å; L412-A414 VanDerWaalsContact C-N 3.33Å; L412-A414 PolarHBondContact O-N 3.07Å; L412-E415 PolarHBondContact O-N 3.09Å; L412-Y416 VanDerWaalsContact O-CB 3.31Å; L412-Y416 WeakPolarHBondContact O-CB 3.37Å; L412-Y416 PolarHBondContact O-N 3.49Å; L412-F484 HydrophobicContact CG-CZ 4.43Å
413	R	93.7	Very high	91.3	Very high	63 Å²	63	54.3 Å²	54.3	24%	0.238	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-43	173.8	-70.5	169.8	-172	160.6	-1.5	112.1	R409 Q411 F417 D481 T483 F484 E506	R409-R413 WeakPolarHBondContact O-CG 3.32Å; R409-R413 PolarHBondContact O-N 3.29Å; R409-R413 VanDerWaalsContact O-N 3.11Å; Q411-R413 PolarHBondContact O-N 3.41Å; R413-F417 WeakPolarHBondContact O-CB 3.42Å; R413-F417 PolarHBondContact O-N 2.96Å; R413-D481 IonicContact CZ-OD2 3.62Å; R413-D481 IonicContact NE-OD2 3.69Å; R413-D481 PolarHBondContact NE-OD2 3.3Å; R413-D481 IonicContact NH2-OD2 3.55Å; R413-D481 PolarHBondContact NH2-OD2 2.87Å; R413-T483 VanDerWaalsContact CD-OG1 3.25Å; R413-T483 WeakPolarHBondContact CD-OG1 3.46Å; R413-T483 PolarHBondContact NE-OG1 2.63Å; R413-F484 HydrophobicContact CB-CE1 4.47Å; R413-F484 HydrophobicContact CB-CZ 4.23Å; R413-F484 HydrophobicContact CG-CD2 4.38Å; R413-F484 HydrophobicContact CG-CE1 3.99Å; R413-F484 HydrophobicContact CG-CE2 3.55Å; R413-F484 HydrophobicContact CG-CZ 3.33Å; R413-E506 IonicContact CZ-OE1 3.64Å; R413-E506 IonicContact NH1-OE1 2.56Å; R413-E506 PolarHBondContact NH1-OE1 3.19Å; R413-E506 IonicContact NH2-OE1 3.52Å; R413-E506 PolarHBondContact NH2-OE1 3.2Å
414	A	92.9	Very high	90.2	Very high	34 Å²	34	52.2 Å²	52.2	28%	0.281	24%	0.243	S	C	.	.	H	α-helix	trans	-65	-43.2	179.4	0	0	0	0	0	112.4	K410 Q411 L412 F417 K418	K410-A414 PolarHBondContact O-N 2.88Å; Q411-A414 PolarHBondContact O-N 2.84Å; L412-A414 VanDerWaalsContact C-N 3.33Å; L412-A414 PolarHBondContact O-N 3.07Å; A414-F417 PolarHBondContact O-N 3.34Å; A414-K418 WeakPolarHBondContact O-CG 3.06Å; A414-K418 PolarHBondContact O-N 2.83Å; A414-K418 VanDerWaalsContact O-N 3.1Å
415	E	93.2	Very high	89.2	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.9	-37.9	177.9	-67.2	-53.7	120.1	0	0	112.1	F361 K381 V385 Q411 L412 K418 M419	F361-E415 HydrophobicContact CB-CG 3.85Å; F361-E415 HydrophobicContact CD1-CG 4.35Å; F361-E415 HydrophobicContact CD2-CB 4.4Å; F361-E415 HydrophobicContact CD2-CG 3.63Å; F361-E415 HydrophobicContact CE2-CG 4.22Å; F361-E415 HydrophobicContact CG-CG 3.7Å; K381-E415 WeakPolarHBondContact CD-OE2 3.02Å; K381-E415 WeakPolarHBondContact CE-OE2 3.45Å; K381-E415 IonicContact NZ-OE2 2.8Å; K381-E415 PolarHBondContact NZ-OE2 2.9Å; V385-E415 HydrophobicContact CG2-CB 4.07Å; Q411-E415 WeakPolarHBondContact O-CG 3.28Å; Q411-E415 PolarHBondContact O-N 3.07Å; L412-E415 PolarHBondContact O-N 3.09Å; E415-K418 PolarHBondContact O-N 2.87Å; E415-K418 IonicContact OE1-NZ 2.79Å; E415-K418 PolarHBondContact OE1-NZ 3.44Å; E415-M419 WeakPolarHBondContact O-CG 3.39Å; E415-M419 PolarHBondContact O-N 3.34Å
416	Y	92.4	Very high	88	Confident	10 Å²	10	50.1 Å²	50.1	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-47.9	171.8	-169.1	-81.9	0	0	0	111.1	V385 L412 K418 M419 E420 K474 L477 F484	V385-Y416 HydrophobicContact CG1-CD2 4.02Å; L412-Y416 VanDerWaalsContact O-CB 3.31Å; L412-Y416 WeakPolarHBondContact O-CB 3.37Å; L412-Y416 PolarHBondContact O-N 3.49Å; Y416-K418 VanDerWaalsContact C-N 3.33Å; Y416-K418 PolarHBondContact O-N 3.42Å; Y416-M419 PolarHBondContact O-N 3.41Å; Y416-M419 VanDerWaalsContact O-N 3.16Å; Y416-E420 HydrophobicContact CD1-CG 3.76Å; Y416-E420 HydrophobicContact CE1-CG 3.46Å; Y416-E420 VanDerWaalsContact CE1-CG 3.46Å; Y416-E420 WeakPolarHBondContact O-CG 3.07Å; Y416-E420 PolarHBondContact O-N 2.97Å; Y416-K474 HydrophobicContact CE2-CD 4.39Å; Y416-K474 WeakPolarHBondContact OH-CD 3.23Å; Y416-K474 PolarHBondContact OH-NZ 3.45Å; Y416-L477 HydrophobicContact CD2-CD2 3.9Å; Y416-L477 HydrophobicContact CE2-CD2 3.38Å; Y416-F484 AromaticContact CD1-CD1 3.55Å; Y416-F484 HydrophobicContact CD1-CD1 3.55Å; Y416-F484 HydrophobicContact CD1-CE1 4.25Å; Y416-F484 AromaticContact CD2-CD1 3.93Å; Y416-F484 HydrophobicContact CD2-CD1 3.93Å; Y416-F484 HydrophobicContact CD2-CE1 4.08Å; Y416-F484 HydrophobicContact CE1-CB 4.36Å; Y416-F484 AromaticContact CE1-CD1 3.95Å; Y416-F484 HydrophobicContact CE1-CD1 3.95Å; Y416-F484 HydrophobicContact CE2-CD1 4.3Å; Y416-F484 AromaticContact CG-CD1 3.52Å; Y416-F484 HydrophobicContact CG-CD1 3.52Å; Y416-F484 AromaticContact CG-CE1 3.77Å; Y416-F484 HydrophobicContact CG-CE1 3.77Å
417	F	90.9	Very high	87.3	Confident	103 Å²	103	43 Å²	43	45%	0.452	20%	0.204	S	C	.	.	H	α-helix	trans	-54.3	-47.4	176.1	176.6	-87.6	0	0	0	112.6	R413 A414 M419 E420 T421 L486	R413-F417 WeakPolarHBondContact O-CB 3.42Å; R413-F417 PolarHBondContact O-N 2.96Å; A414-F417 PolarHBondContact O-N 3.34Å; F417-M419 PolarHBondContact O-N 3.44Å; F417-E420 PolarHBondContact O-N 2.05Å; F417-T421 HydrophobicContact CD2-CG2 4.37Å; F417-T421 HydrophobicContact CE1-CG2 4.16Å; F417-T421 HydrophobicContact CE2-CG2 3.97Å; F417-T421 HydrophobicContact CZ-CG2 3.86Å; F417-T421 WeakPolarHBondContact O-CB 3.38Å; F417-T421 WeakPolarHBondContact O-CG2 3.46Å; F417-T421 PolarHBondContact O-N 2.94Å; F417-T421 VanDerWaalsContact O-N 3.11Å; F417-T421 PolarHBondContact O-OG1 3Å; F417-L486 HydrophobicContact CB-CD1 4.43Å; F417-L486 HydrophobicContact CD2-CD1 3.7Å; F417-L486 HydrophobicContact CD2-CD2 3.6Å; F417-L486 HydrophobicContact CD2-CG 4.23Å; F417-L486 HydrophobicContact CE2-CD1 4.27Å; F417-L486 HydrophobicContact CE2-CD2 4.34Å; F417-L486 HydrophobicContact CG-CD1 4.32Å
418	K	88.4	Confident	86.4	Confident	47 Å²	47	40.6 Å²	40.6	20%	0.204	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-42.4	178.8	-69.9	172.6	-167.3	172	0	111.6	D325 A414 E415 Y416 E420 T421 A422	D325-K418 WeakPolarHBondContact OD1-CE 3.39Å; D325-K418 IonicContact OD1-NZ 3.62Å; D325-K418 PolarHBondContact OD1-NZ 3.47Å; D325-K418 IonicContact OD2-NZ 3.4Å; A414-K418 WeakPolarHBondContact O-CG 3.06Å; A414-K418 PolarHBondContact O-N 2.83Å; A414-K418 VanDerWaalsContact O-N 3.1Å; E415-K418 PolarHBondContact O-N 2.87Å; E415-K418 IonicContact OE1-NZ 2.79Å; E415-K418 PolarHBondContact OE1-NZ 3.44Å; Y416-K418 VanDerWaalsContact C-N 3.33Å; Y416-K418 PolarHBondContact O-N 3.42Å; K418-E420 PolarHBondContact O-N 3.28Å; K418-T421 PolarHBondContact O-N 3.01Å; K418-A422 WeakPolarHBondContact O-CB 3.29Å; K418-A422 PolarHBondContact O-N 3.29Å; K418-A422 VanDerWaalsContact O-N 3.16Å
419	M	88.7	Confident	85.7	Confident	6 Å²	6	42.7 Å²	42.7	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-40.3	178.3	-73.1	174.9	57.7	0	0	112.4	M352 A382 V385 E415 Y416 F417 N449	M352-M419 HydrophobicContact CE-CE 4Å; M352-M419 HydrophobicContact CE-CG 3.97Å; M352-M419 HydrophobicContact CE-SD 3.91Å; M352-M419 HydrophobicContact SD-CG 4.26Å; A382-M419 HydrophobicContact CB-CE 3.6Å; V385-M419 HydrophobicContact CB-SD 4.09Å; V385-M419 HydrophobicContact CG1-SD 4.09Å; V385-M419 HydrophobicContact CG2-SD 4Å; E415-M419 WeakPolarHBondContact O-CG 3.39Å; E415-M419 PolarHBondContact O-N 3.34Å; Y416-M419 PolarHBondContact O-N 3.41Å; Y416-M419 VanDerWaalsContact O-N 3.16Å; F417-M419 PolarHBondContact O-N 3.44Å; M419-N449 PolarHBondContact O-ND2 3.3Å
420	E	87.7	Confident	85.4	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-74.8	-30.8	-178.2	-67.4	-53.9	154	0	0	113.7	Y416 F417 K418 N449 L450 K474 L486	Y416-E420 HydrophobicContact CD1-CG 3.76Å; Y416-E420 HydrophobicContact CE1-CG 3.46Å; Y416-E420 VanDerWaalsContact CE1-CG 3.46Å; Y416-E420 WeakPolarHBondContact O-CG 3.07Å; Y416-E420 PolarHBondContact O-N 2.97Å; F417-E420 PolarHBondContact O-N 2.05Å; K418-E420 PolarHBondContact O-N 3.28Å; E420-N449 PolarHBondContact O-N 2.02Å; E420-N449 WeakPolarHBondContact OE2-CB 3.36Å; E420-L450 HydrophobicContact CB-CB 4.39Å; E420-L450 WeakPolarHBondContact O-CB 3.38Å; E420-L450 PolarHBondContact O-N 3.26Å; E420-K474 IonicContact OE1-NZ 2.84Å; E420-K474 PolarHBondContact OE1-NZ 3.29Å; E420-L486 HydrophobicContact CB-CD1 3.52Å; E420-L486 HydrophobicContact CG-CD1 4.07Å
421	T	85.6	Confident	84.9	Confident	50 Å²	50	37.1 Å²	37.1	31%	0.307	19%	0.188	S	C	.	.	H	α-helix	trans	-96	-4.2	-174.9	56.4	0	0	0	0	114.5	F417 K418 L486	F417-T421 HydrophobicContact CD2-CG2 4.37Å; F417-T421 HydrophobicContact CE1-CG2 4.16Å; F417-T421 HydrophobicContact CE2-CG2 3.97Å; F417-T421 HydrophobicContact CZ-CG2 3.86Å; F417-T421 WeakPolarHBondContact O-CB 3.38Å; F417-T421 WeakPolarHBondContact O-CG2 3.46Å; F417-T421 PolarHBondContact O-N 2.94Å; F417-T421 VanDerWaalsContact O-N 3.11Å; F417-T421 PolarHBondContact O-OG1 3Å; K418-T421 PolarHBondContact O-N 3.01Å; T421-L486 HydrophobicContact CG2-CD1 4.02Å
422	A	81.6	Confident	84.6	Confident	4 Å²	4	43 Å²	43	3%	0.033	22%	0.216	C	C	.	.			trans	-61.8	139.5	-180	0	0	0	0	0	112.7	E348 K418 Q424 L426	E348-A422 WeakPolarHBondContact OE1-CB 3.5Å; K418-A422 WeakPolarHBondContact O-CB 3.29Å; K418-A422 PolarHBondContact O-N 3.29Å; K418-A422 VanDerWaalsContact O-N 3.16Å; A422-Q424 WeakPolarHBondContact CB-O 3.37Å; A422-Q424 PolarHBondContact O-N 2.72Å; A422-L426 HydrophobicContact CB-CB 4.47Å; A422-L426 HydrophobicContact CB-CD1 3.39Å; A422-L426 HydrophobicContact CB-CG 3.61Å
423	D	69.3	Low	84.4	Confident	93 Å²	93	45.1 Å²	45.1	50%	0.497	23%	0.229	S	C	.	.	S	Bend	trans	-65.8	-23.6	175.1	-59.4	-41.2	0	0	0	112.7	K331	K331-D423 WeakPolarHBondContact CD-OD2 3.36Å; K331-D423 WeakPolarHBondContact CE-OD2 3.2Å; K331-D423 IonicContact NZ-OD2 2.84Å; K331-D423 PolarHBondContact NZ-OD2 3.03Å
424	Q	69.7	Low	84.5	Confident	77 Å²	77	42.1 Å²	42.1	36%	0.36	22%	0.218	S	C	.	.	S	Bend	trans	-106.6	144.1	176.1	-68.4	-178.1	-6.2	0	0	108.3	A422 L426	A422-Q424 WeakPolarHBondContact CB-O 3.37Å; A422-Q424 PolarHBondContact O-N 2.72Å; Q424-L426 HydrophobicContact CB-CD2 4.43Å; Q424-L426 WeakPolarHBondContact O-CG 3.15Å; Q424-L426 PolarHBondContact O-N 3.2Å
425	F	72.7	Confident	84.5	Confident	64 Å²	64	47.4 Å²	47.4	28%	0.281	23%	0.234	S	C	.	.			trans	-65.6	97.1	176.4	-69.1	-93	0	0	0	110.4	M430 M431 M438 N449 V452	F425-M430 HydrophobicContact CD1-CE 3.84Å; F425-M430 HydrophobicContact CE1-CE 4.06Å; F425-M431 HydrophobicContact CB-CE 3.53Å; F425-M431 HydrophobicContact CB-CG 3.79Å; F425-M431 HydrophobicContact CB-SD 3.22Å; F425-M431 WeakPolarHBondContact CB-SD 3.45Å; F425-M431 HydrophobicContact CD1-CG 3.88Å; F425-M431 HydrophobicContact CD1-SD 4.24Å; F425-M431 HydrophobicContact CD2-SD 4.39Å; F425-M431 HydrophobicContact CG-CG 4.01Å; F425-M431 HydrophobicContact CG-SD 3.74Å; F425-M431 VanDerWaalsContact O-CE 3.24Å; F425-M431 WeakPolarHBondContact O-CE 3.4Å; F425-M438 HydrophobicContact CE1-CE 3.9Å; F425-M438 HydrophobicContact CZ-CE 4.42Å; F425-N449 WeakPolarHBondContact CD1-OD1 3.14Å; F425-V452 HydrophobicContact CE1-CG2 3.72Å; F425-V452 HydrophobicContact CZ-CG2 4.04Å
426	L	72.2	Confident	84.6	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.063	25%	0.253	C	S	.	.			trans	-88.5	-7.2	178.8	-60.4	-174.9	0	0	0	113.9	E348 L349 M352 A422 Q424 P428 N449	E348-L426 HydrophobicContact CG-CD1 3.78Å; E348-L426 HydrophobicContact CG-CD2 4.38Å; L349-L426 HydrophobicContact CD2-CD2 4.01Å; M352-L426 HydrophobicContact CE-CB 4.26Å; M352-L426 WeakPolarHBondContact CE-O 3.44Å; M352-L426 HydrophobicContact CG-CB 4.21Å; M352-L426 HydrophobicContact CG-CD1 4.25Å; M352-L426 HydrophobicContact CG-CD2 4.02Å; M352-L426 HydrophobicContact CG-CG 4.37Å; M352-L426 HydrophobicContact SD-CB 4.26Å; M352-L426 HydrophobicContact SD-CD1 4.21Å; A422-L426 HydrophobicContact CB-CB 4.47Å; A422-L426 HydrophobicContact CB-CD1 3.39Å; A422-L426 HydrophobicContact CB-CG 3.61Å; Q424-L426 HydrophobicContact CB-CD2 4.43Å; Q424-L426 WeakPolarHBondContact O-CG 3.15Å; Q424-L426 PolarHBondContact O-N 3.2Å; L426-P428 WeakPolarHBondContact O-CD 3.28Å; L426-N449 PolarHBondContact N-ND2 3.34Å
427	D	78.2	Confident	84.8	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.053	25%	0.251	C	S	.	.			trans	-100	96	175.3	-168.3	-24.2	0	0	0	110.1	D429 M430 M431 Y470 K474	D427-D429 VanDerWaalsContact C-N 3.26Å; D427-D429 PolarHBondContact O-N 3.45Å; D427-D429 WeakPolarHBondContact OD1-CB 3.35Å; D427-D429 PolarHBondContact OD1-N 3.17Å; D427-M430 HydrophobicContact CB-CB 4.1Å; D427-M430 PolarHBondContact O-N 2.94Å; D427-M430 PolarHBondContact OD1-N 3.5Å; D427-M430 VanDerWaalsContact OD1-N 3.15Å; D427-M431 PolarHBondContact O-N 3.43Å; D427-Y470 PolarHBondContact OD2-OH 3.16Å; D427-K474 IonicContact OD2-NZ 2.98Å
428	P	78.6	Confident	85	Confident	60 Å²	60	44.6 Å²	44.6	39%	0.39	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-30	179.1	27.9	-35	0	0	0	112.5	L426 M431 Q432	L426-P428 WeakPolarHBondContact O-CD 3.28Å; P428-M431 PolarHBondContact O-N 3.02Å; P428-Q432 VanDerWaalsContact O-CB 3.26Å; P428-Q432 WeakPolarHBondContact O-CB 3.22Å; P428-Q432 PolarHBondContact O-N 3.04Å
429	D	83	Confident	85.3	Confident	44 Å²	44	45.8 Å²	45.8	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-44	179.5	-75.4	-9.2	0	0	0	109.3	R386 D427 Q432 V433 Y470	R386-D429 IonicContact NE-OD2 2.84Å; R386-D429 PolarHBondContact NE-OD2 3.01Å; D427-D429 VanDerWaalsContact C-N 3.26Å; D427-D429 PolarHBondContact O-N 3.45Å; D427-D429 WeakPolarHBondContact OD1-CB 3.35Å; D427-D429 PolarHBondContact OD1-N 3.17Å; D429-Q432 PolarHBondContact O-N 3.26Å; D429-V433 WeakPolarHBondContact O-CB 3.29Å; D429-V433 WeakPolarHBondContact O-CG2 3.42Å; D429-V433 PolarHBondContact O-N 3.44Å; D429-Y470 HydrophobicContact CB-CE2 4.16Å
430	M	87.5	Confident	85.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-52.1	176.1	-167.4	-179.4	62.4	0	0	111.4	F425 D427 Q432 V433 C434 N449 V452 Y470	F425-M430 HydrophobicContact CD1-CE 3.84Å; F425-M430 HydrophobicContact CE1-CE 4.06Å; D427-M430 HydrophobicContact CB-CB 4.1Å; D427-M430 PolarHBondContact O-N 2.94Å; D427-M430 PolarHBondContact OD1-N 3.5Å; D427-M430 VanDerWaalsContact OD1-N 3.15Å; M430-Q432 PolarHBondContact O-N 2.95Å; M430-V433 PolarHBondContact O-N 3.04Å; M430-C434 WeakPolarHBondContact O-CB 3.45Å; M430-C434 PolarHBondContact O-N 3.32Å; M430-N449 HydrophobicContact CE-CB 3.92Å; M430-N449 WeakPolarHBondContact CE-OD1 3.14Å; M430-V452 HydrophobicContact CE-CB 4.21Å; M430-V452 HydrophobicContact CE-CG1 4Å; M430-V452 HydrophobicContact SD-CB 4.46Å; M430-V452 HydrophobicContact SD-CG1 4.1Å; M430-Y470 HydrophobicContact CB-CE1 4Å; M430-Y470 HydrophobicContact CB-CE2 4.3Å; M430-Y470 WeakPolarHBondContact CB-OH 3.35Å; M430-Y470 HydrophobicContact CG-CE1 3.78Å; M430-Y470 HydrophobicContact SD-CE1 4.41Å
431	M	84.1	Confident	86.1	Confident	70 Å²	70	53.4 Å²	53.4	35%	0.345	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-33.9	-178.4	-77	-166.9	-76.6	0	0	112.8	F425 D427 P428 K435	F425-M431 HydrophobicContact CB-CE 3.53Å; F425-M431 HydrophobicContact CB-CG 3.79Å; F425-M431 HydrophobicContact CB-SD 3.22Å; F425-M431 WeakPolarHBondContact CB-SD 3.45Å; F425-M431 HydrophobicContact CD1-CG 3.88Å; F425-M431 HydrophobicContact CD1-SD 4.24Å; F425-M431 HydrophobicContact CD2-SD 4.39Å; F425-M431 HydrophobicContact CG-CG 4.01Å; F425-M431 HydrophobicContact CG-SD 3.74Å; F425-M431 VanDerWaalsContact O-CE 3.24Å; F425-M431 WeakPolarHBondContact O-CE 3.4Å; D427-M431 PolarHBondContact O-N 3.43Å; P428-M431 PolarHBondContact O-N 3.02Å; M431-K435 VanDerWaalsContact O-CB 3.29Å; M431-K435 WeakPolarHBondContact O-CB 3.39Å
432	Q	89.3	Confident	86.5	Confident	153 Å²	153	52.9 Å²	52.9	72%	0.715	28%	0.283	S	S	*	.	H	α-helix	trans	-82.1	-45.7	-179.4	-174.9	175.7	-0.3	0	0	111.8	P428 D429 M430	P428-Q432 VanDerWaalsContact O-CB 3.26Å; P428-Q432 WeakPolarHBondContact O-CB 3.22Å; P428-Q432 PolarHBondContact O-N 3.04Å; D429-Q432 PolarHBondContact O-N 3.26Å; M430-Q432 PolarHBondContact O-N 2.95Å
433	V	93.1	Very high	87.1	Confident	45 Å²	45	52.7 Å²	52.7	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-77.8	-36.8	-172.8	175.7	0	0	0	0	111.9	D429 M430 L466	D429-V433 WeakPolarHBondContact O-CB 3.29Å; D429-V433 WeakPolarHBondContact O-CG2 3.42Å; D429-V433 PolarHBondContact O-N 3.44Å; M430-V433 PolarHBondContact O-N 3.04Å; V433-L466 VanDerWaalsContact CG1-C 3.48Å; V433-L466 HydrophobicContact CG1-CB 3.75Å; V433-L466 WeakPolarHBondContact CG1-O 3.46Å
434	C	94.7	Very high	88.1	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-102.3	6.1	-175.6	-69	0	0	0	0	114.1	M430 A436 D437 M438 L456 C467	M430-C434 WeakPolarHBondContact O-CB 3.45Å; M430-C434 PolarHBondContact O-N 3.32Å; C434-A436 VanDerWaalsContact C-N 3.29Å; C434-A436 PolarHBondContact O-N 2.99Å; C434-A436 VanDerWaalsContact O-N 3.14Å; C434-D437 PolarHBondContact O-N 2.97Å; C434-D437 VanDerWaalsContact O-N 3.12Å; C434-M438 HydrophobicContact CB-CG 4.06Å; C434-M438 HydrophobicContact CB-SD 4.08Å; C434-M438 WeakPolarHBondContact O-CG 3.44Å; C434-M438 PolarHBondContact O-N 2.85Å; C434-L456 HydrophobicContact CB-CD1 3.87Å; C434-C467 HydrophobicContact CB-CB 3.94Å; C434-C467 WeakPolarHBondContact CB-SG 3.28Å; C434-C467 WeakPolarHBondContact SG-CA 2.93Å; C434-C467 WeakPolarHBondContact SG-CB 3.16Å; C434-C467 CovalentContact SG-SG 2.04Å; C434-C467 PolarHBondContact SG-SG 3.37Å
435	K	94.2	Very high	89	Confident	145 Å²	145	53.1 Å²	53.1	63%	0.63	29%	0.294	S	S	*	.	H	α-helix	trans	-49.9	-45.5	-173.6	-166.3	175.3	176	177	0	114.4	M431 S439	M431-K435 VanDerWaalsContact O-CB 3.29Å; M431-K435 WeakPolarHBondContact O-CB 3.39Å; K435-S439 PolarHBondContact O-N 3.23Å; K435-S439 PolarHBondContact O-OG 3.17Å
436	A	95.3	Very high	89.8	Confident	47 Å²	47	53.9 Å²	53.9	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-48.1	-178	0	0	0	0	0	110.7	C434 S439 K440 E464	C434-A436 VanDerWaalsContact C-N 3.29Å; C434-A436 PolarHBondContact O-N 2.99Å; C434-A436 VanDerWaalsContact O-N 3.14Å; A436-S439 PolarHBondContact O-N 3.24Å; A436-K440 WeakPolarHBondContact O-CB 3.46Å; A436-K440 PolarHBondContact O-N 3.21Å; A436-E464 WeakPolarHBondContact CB-OE1 3.36Å
437	D	96.6	Very high	90.4	Very high	1 Å²	1	57 Å²	57	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-42.3	178.2	-67.6	-48.9	0	0	0	112.5	C434 S439 K440 H441 L456 L463 E464 C467	C434-D437 PolarHBondContact O-N 2.97Å; C434-D437 VanDerWaalsContact O-N 3.12Å; D437-S439 PolarHBondContact O-N 3.05Å; D437-K440 PolarHBondContact O-N 2.9Å; D437-H441 PolarHBondContact O-CD2 3.33Å; D437-H441 PolarHBondContact O-N 3.29Å; D437-L456 HydrophobicContact CB-CD2 3.93Å; D437-L463 HydrophobicContact CB-CD2 3.72Å; D437-L463 WeakPolarHBondContact OD1-CA 3.24Å; D437-E464 VanDerWaalsContact CG-N 3.33Å; D437-E464 PolarHBondContact OD1-N 2.96Å; D437-E464 VanDerWaalsContact OD1-N 3.08Å; D437-E464 WeakPolarHBondContact OD2-CB 3.26Å; D437-E464 PolarHBondContact OD2-N 3.08Å; D437-C467 WeakPolarHBondContact OD2-CB 3.17Å
438	M	94.5	Very high	90.7	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-35.9	176.8	-64.9	164.9	66	0	0	111.9	F425 C434 G442 C443 N444 V452 L456	F425-M438 HydrophobicContact CE1-CE 3.9Å; F425-M438 HydrophobicContact CZ-CE 4.42Å; C434-M438 HydrophobicContact CB-CG 4.06Å; C434-M438 HydrophobicContact CB-SD 4.08Å; C434-M438 WeakPolarHBondContact O-CG 3.44Å; C434-M438 PolarHBondContact O-N 2.85Å; M438-G442 CarbonylContact O-C 3.39Å; M438-G442 PolarHBondContact O-N 2.9Å; M438-C443 HydrophobicContact CB-CB 4.3Å; M438-C443 HydrophobicContact CG-CB 4.47Å; M438-C443 PolarHBondContact O-N 3.46Å; M438-N444 WeakPolarHBondContact CB-OD1 3.13Å; M438-N444 WeakPolarHBondContact CE-OD1 3.35Å; M438-N444 PolarHBondContact O-N 3.14Å; M438-V452 HydrophobicContact CE-CG1 3.62Å; M438-V452 HydrophobicContact CG-CG1 4.01Å; M438-V452 HydrophobicContact SD-CG1 4.15Å; M438-L456 HydrophobicContact CG-CD1 4.05Å; M438-L456 HydrophobicContact CG-CD2 4.14Å; M438-L456 HydrophobicContact CG-CG 4.49Å
439	S	95.1	Very high	91.2	Very high	72 Å²	72	54.8 Å²	54.8	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-75	-43.1	176.7	-53.3	0	0	0	0	111.6	K435 A436 D437 H441 N444	K435-S439 PolarHBondContact O-N 3.23Å; K435-S439 PolarHBondContact O-OG 3.17Å; A436-S439 PolarHBondContact O-N 3.24Å; D437-S439 PolarHBondContact O-N 3.05Å; S439-H441 PolarHBondContact O-N 3.15Å; S439-N444 WeakPolarHBondContact CA-ND2 3.43Å; S439-N444 PolarHBondContact OG-ND2 2.88Å; S439-N444 VanDerWaalsContact OG-ND2 3.08Å
440	K	96.8	Very high	91.6	Very high	132 Å²	132	53.3 Å²	53.3	57%	0.574	30%	0.298	S	S	*	.	H	α-helix	trans	-61.7	-40.7	179.6	178.2	-175.8	169.2	-164	0	112.6	A436 D437 D462	A436-K440 WeakPolarHBondContact O-CB 3.46Å; A436-K440 PolarHBondContact O-N 3.21Å; D437-K440 PolarHBondContact O-N 2.9Å; K440-D462 PolarHBondContact NZ-O 2.87Å
441	H	96.1	Very high	91.8	Very high	38 Å²	38	56.2 Å²	56.2	18%	0.176	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.5	-174.9	-66	-76.5	0	0	0	113.8	D437 S439 C443 H459	D437-H441 PolarHBondContact O-CD2 3.33Å; D437-H441 PolarHBondContact O-N 3.29Å; S439-H441 PolarHBondContact O-N 3.15Å; H441-C443 VanDerWaalsContact C-N 3.26Å; H441-C443 PolarHBondContact O-N 2.95Å; H441-H459 AromaticContact CE1-CG 3.8Å; H441-H459 AromaticContact CE1-ND1 3.81Å; H441-H459 AromaticContact CG-CD2 3.81Å; H441-H459 AromaticContact CG-CG 3.72Å; H441-H459 AromaticContact ND1-CD2 3.66Å; H441-H459 AromaticContact ND1-CE1 3.79Å; H441-H459 AromaticContact ND1-CG 3.28Å; H441-H459 VanDerWaalsContact ND1-CG 3.28Å; H441-H459 AromaticContact ND1-ND1 3.37Å; H441-H459 PolarHBondContact ND1-ND1 2.98Å; H441-H459 AromaticContact ND1-NE2 3.94Å
442	G	94.8	Very high	92.2	Very high	39 Å²	39	52.9 Å²	52.9	40%	0.402	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	12.9	178.6	0	0	0	0	0	114.8	M438 N444 S445	M438-G442 CarbonylContact O-C 3.39Å; M438-G442 PolarHBondContact O-N 2.9Å; G442-N444 PolarHBondContact O-N 3.47Å; G442-S445 WeakPolarHBondContact O-CB 3.41Å; G442-S445 PolarHBondContact O-N 3.12Å; G442-S445 PolarHBondContact O-OG 3.33Å
443	C	93.6	Very high	92.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-68.1	-17.7	-179.3	-52	0	0	0	0	113.3	M438 H441 S445 F446 V452 C455 L456	M438-C443 HydrophobicContact CB-CB 4.3Å; M438-C443 HydrophobicContact CG-CB 4.47Å; M438-C443 PolarHBondContact O-N 3.46Å; H441-C443 VanDerWaalsContact C-N 3.26Å; H441-C443 PolarHBondContact O-N 2.95Å; C443-S445 PolarHBondContact O-N 3.14Å; C443-S445 VanDerWaalsContact O-N 3.13Å; C443-F446 WeakPolarHBondContact O-CD2 3.3Å; C443-F446 PolarHBondContact O-N 3.28Å; C443-V452 HydrophobicContact CB-CG1 4.2Å; C443-C455 WeakPolarHBondContact CA-SG 3.33Å; C443-C455 HydrophobicContact CB-CB 3.68Å; C443-C455 WeakPolarHBondContact CB-SG 3.49Å; C443-C455 WeakPolarHBondContact SG-CB 3.01Å; C443-C455 CovalentContact SG-SG 2.04Å; C443-C455 PolarHBondContact SG-SG 3.35Å; C443-L456 HydrophobicContact CB-CG 4.5Å
444	N	89.2	Confident	92.4	Very high	79 Å²	79	44.7 Å²	44.7	42%	0.422	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62.4	-15.1	172.9	-70.1	-30.8	0	0	0	114.2	M438 S439 G442 F446	M438-N444 WeakPolarHBondContact CB-OD1 3.13Å; M438-N444 WeakPolarHBondContact CE-OD1 3.35Å; M438-N444 PolarHBondContact O-N 3.14Å; S439-N444 WeakPolarHBondContact CA-ND2 3.43Å; S439-N444 PolarHBondContact OG-ND2 2.88Å; S439-N444 VanDerWaalsContact OG-ND2 3.08Å; G442-N444 PolarHBondContact O-N 3.47Å; N444-F446 VanDerWaalsContact C-N 3.27Å; N444-F446 PolarHBondContact O-N 3.28Å
445	S	89.6	Confident	92.5	Very high	100 Å²	100	45.7 Å²	45.7	70%	0.699	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-74.9	-16.5	-179.4	61.5	0	0	0	0	113.6	G442 C443	G442-S445 WeakPolarHBondContact O-CB 3.41Å; G442-S445 PolarHBondContact O-N 3.12Å; G442-S445 PolarHBondContact O-OG 3.33Å; C443-S445 PolarHBondContact O-N 3.14Å; C443-S445 VanDerWaalsContact O-N 3.13Å
446	F	89	Confident	92.5	Very high	80 Å²	80	38.8 Å²	38.8	35%	0.351	23%	0.232	S	C	.	.			trans	-81.9	147.2	179.2	-65.2	-70.4	0	0	0	112	C443 N444 L451 V452 C455	C443-F446 WeakPolarHBondContact O-CD2 3.3Å; C443-F446 PolarHBondContact O-N 3.28Å; N444-F446 VanDerWaalsContact C-N 3.27Å; N444-F446 PolarHBondContact O-N 3.28Å; F446-L451 HydrophobicContact CB-CB 3.69Å; F446-L451 HydrophobicContact CD1-CB 3.78Å; F446-L451 HydrophobicContact CD1-CD1 4.07Å; F446-L451 HydrophobicContact CD1-CG 4.46Å; F446-L451 HydrophobicContact CG-CB 3.78Å; F446-V452 HydrophobicContact CB-CG2 3.87Å; F446-C455 HydrophobicContact CD2-CB 4Å; F446-C455 HydrophobicContact CE2-CB 3.61Å
447	S	84.1	Confident	92.5	Very high	77 Å²	77	37.2 Å²	37.2	54%	0.538	22%	0.217	S	C	.	.	S	Bend	trans	-89.8	-8.6	-171.6	59.2	0	0	0	0	115.3
448	T	86	Confident	92.4	Very high	23 Å²	23	40.2 Å²	40.2	14%	0.141	25%	0.248	C	C	.	.	S	Bend	trans	-137.4	149.8	-173.8	58.8	0	0	0	0	110.3	L450 L451 V452	T448-L450 VanDerWaalsContact C-N 3.28Å; T448-L450 PolarHBondContact O-N 3.43Å; T448-L451 PolarHBondContact O-N 3.2Å; T448-L451 WeakPolarHBondContact OG1-CG 3.41Å; T448-V452 VanDerWaalsContact O-CG2 3.32Å; T448-V452 WeakPolarHBondContact O-CG2 3.47Å; T448-V452 PolarHBondContact O-N 2.89Å
449	N	88.2	Confident	92.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-54.3	-43	176.8	-68.4	-27.6	0	0	0	112.4	M419 E420 F425 L426 M430 L451 V452 E453	M419-N449 PolarHBondContact O-ND2 3.3Å; E420-N449 PolarHBondContact O-N 2.02Å; E420-N449 WeakPolarHBondContact OE2-CB 3.36Å; F425-N449 WeakPolarHBondContact CD1-OD1 3.14Å; L426-N449 PolarHBondContact N-ND2 3.34Å; M430-N449 HydrophobicContact CE-CB 3.92Å; M430-N449 WeakPolarHBondContact CE-OD1 3.14Å; N449-L451 PolarHBondContact O-N 2.92Å; N449-V452 WeakPolarHBondContact O-CB 3.39Å; N449-V452 PolarHBondContact O-N 2.95Å; N449-V452 VanDerWaalsContact O-N 3.12Å; N449-E453 PolarHBondContact O-N 3.43Å
450	L	91.2	Very high	92.2	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-52	-50.4	178	178.6	61.1	0	0	0	113.1	E420 T448 V452 E453 E454 L486 M487	E420-L450 HydrophobicContact CB-CB 4.39Å; E420-L450 WeakPolarHBondContact O-CB 3.38Å; E420-L450 PolarHBondContact O-N 3.26Å; T448-L450 VanDerWaalsContact C-N 3.28Å; T448-L450 PolarHBondContact O-N 3.43Å; L450-V452 VanDerWaalsContact C-N 3.34Å; L450-V452 PolarHBondContact O-N 3.29Å; L450-E453 PolarHBondContact O-N 3.32Å; L450-E454 WeakPolarHBondContact O-CG 3.36Å; L450-E454 PolarHBondContact O-N 3.4Å; L450-L486 HydrophobicContact CD1-CB 3.97Å; L450-L486 HydrophobicContact CD2-CB 3.97Å; L450-M487 HydrophobicContact CD1-CB 4.33Å
451	L	91.9	Very high	91.8	Very high	60 Å²	60	40.3 Å²	40.3	31%	0.314	25%	0.246	S	C	.	.	H	α-helix	trans	-70.9	-31.1	-177.8	-68.5	176.3	0	0	0	112.6	F446 T448 N449 C455	F446-L451 HydrophobicContact CB-CB 3.69Å; F446-L451 HydrophobicContact CD1-CB 3.78Å; F446-L451 HydrophobicContact CD1-CD1 4.07Å; F446-L451 HydrophobicContact CD1-CG 4.46Å; F446-L451 HydrophobicContact CG-CB 3.78Å; T448-L451 PolarHBondContact O-N 3.2Å; T448-L451 WeakPolarHBondContact OG1-CG 3.41Å; N449-L451 PolarHBondContact O-N 2.92Å; L451-C455 WeakPolarHBondContact O-CB 3.16Å; L451-C455 PolarHBondContact O-N 3.45Å
452	V	92.5	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-43.8	174.7	176.5	0	0	0	0	109.5	F425 M430 M438 C443 F446 T448 N449 L450 C455 L456	F425-V452 HydrophobicContact CE1-CG2 3.72Å; F425-V452 HydrophobicContact CZ-CG2 4.04Å; M430-V452 HydrophobicContact CE-CB 4.21Å; M430-V452 HydrophobicContact CE-CG1 4Å; M430-V452 HydrophobicContact SD-CB 4.46Å; M430-V452 HydrophobicContact SD-CG1 4.1Å; M438-V452 HydrophobicContact CE-CG1 3.62Å; M438-V452 HydrophobicContact CG-CG1 4.01Å; M438-V452 HydrophobicContact SD-CG1 4.15Å; C443-V452 HydrophobicContact CB-CG1 4.2Å; F446-V452 HydrophobicContact CB-CG2 3.87Å; T448-V452 VanDerWaalsContact O-CG2 3.32Å; T448-V452 WeakPolarHBondContact O-CG2 3.47Å; T448-V452 PolarHBondContact O-N 2.89Å; N449-V452 WeakPolarHBondContact O-CB 3.39Å; N449-V452 PolarHBondContact O-N 2.95Å; N449-V452 VanDerWaalsContact O-N 3.12Å; L450-V452 VanDerWaalsContact C-N 3.34Å; L450-V452 PolarHBondContact O-N 3.29Å; V452-C455 WeakPolarHBondContact O-CB 3.13Å; V452-C455 PolarHBondContact O-N 2.9Å; V452-L456 HydrophobicContact CG1-CD1 4.09Å; V452-L456 VanDerWaalsContact O-CG 3.31Å; V452-L456 WeakPolarHBondContact O-CG 3.38Å; V452-L456 PolarHBondContact O-N 2.92Å
453	E	93.5	Very high	91.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-48.1	176	-167.6	-174.6	135.8	0	0	111.4	N449 L450 C455 L456 K457 I471 K474	N449-E453 PolarHBondContact O-N 3.43Å; L450-E453 PolarHBondContact O-N 3.32Å; E453-C455 VanDerWaalsContact C-N 3.3Å; E453-C455 PolarHBondContact O-N 3.46Å; E453-L456 PolarHBondContact O-N 3.22Å; E453-L456 VanDerWaalsContact O-N 3.11Å; E453-K457 WeakPolarHBondContact O-CG 3.22Å; E453-K457 PolarHBondContact O-N 3.3Å; E453-K457 WeakPolarHBondContact OE1-CE 3.24Å; E453-K457 IonicContact OE1-NZ 2.78Å; E453-K457 PolarHBondContact OE1-NZ 2.9Å; E453-I471 HydrophobicContact CG-CD1 3.95Å; E453-K474 VanDerWaalsContact OE1-CB 3.31Å; E453-K474 WeakPolarHBondContact OE1-CB 3.44Å
454	E	94.3	Very high	91.7	Very high	27 Å²	27	46 Å²	46	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-38.6	176.2	-69.9	-56.3	127.1	0	0	112.6	L450 K457 G458 M487 R532	L450-E454 WeakPolarHBondContact O-CG 3.36Å; L450-E454 PolarHBondContact O-N 3.4Å; E454-K457 PolarHBondContact O-N 3.15Å; E454-K457 IonicContact OE1-NZ 3.57Å; E454-K457 PolarHBondContact OE1-NZ 3.04Å; E454-G458 PolarHBondContact O-N 3.28Å; E454-G458 VanDerWaalsContact O-N 3.13Å; E454-M487 HydrophobicContact CG-CB 4.2Å; E454-M487 HydrophobicContact CG-CG 4.09Å; E454-R532 IonicContact OE1-CZ 2.68Å; E454-R532 IonicContact OE1-NH1 3.41Å; E454-R532 IonicContact OE1-NH2 3.11Å; E454-R532 PolarHBondContact OE1-NH2 3.35Å; E454-R532 IonicContact OE2-CZ 3.95Å; E454-R532 IonicContact OE2-NH1 2.77Å; E454-R532 PolarHBondContact OE2-NH1 2.94Å; E454-R532 IonicContact OE2-NH2 3.35Å; E454-R532 PolarHBondContact OE2-NH2 3.41Å
455	C	95.4	Very high	91.9	Very high	21 Å²	21	46.3 Å²	46.3	14%	0.142	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-46	173.2	177.3	0	0	0	0	111.9	C443 F446 L451 V452 E453 G458 H459	C443-C455 WeakPolarHBondContact CA-SG 3.33Å; C443-C455 HydrophobicContact CB-CB 3.68Å; C443-C455 WeakPolarHBondContact CB-SG 3.49Å; C443-C455 WeakPolarHBondContact SG-CB 3.01Å; C443-C455 CovalentContact SG-SG 2.04Å; C443-C455 PolarHBondContact SG-SG 3.35Å; F446-C455 HydrophobicContact CD2-CB 4Å; F446-C455 HydrophobicContact CE2-CB 3.61Å; L451-C455 WeakPolarHBondContact O-CB 3.16Å; L451-C455 PolarHBondContact O-N 3.45Å; V452-C455 WeakPolarHBondContact O-CB 3.13Å; V452-C455 PolarHBondContact O-N 2.9Å; E453-C455 VanDerWaalsContact C-N 3.3Å; E453-C455 PolarHBondContact O-N 3.46Å; C455-G458 PolarHBondContact O-N 2.81Å; C455-H459 PolarHBondContact O-CD2 3.28Å; C455-H459 VanDerWaalsContact O-CD2 3.31Å; C455-H459 PolarHBondContact O-N 3.1Å
456	L	95.7	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-39.9	178.8	-68.3	169.4	0	0	0	111.8	C434 D437 M438 C443 V452 E453 G458 H459 K460 L463 I471	C434-L456 HydrophobicContact CB-CD1 3.87Å; D437-L456 HydrophobicContact CB-CD2 3.93Å; M438-L456 HydrophobicContact CG-CD1 4.05Å; M438-L456 HydrophobicContact CG-CD2 4.14Å; M438-L456 HydrophobicContact CG-CG 4.49Å; C443-L456 HydrophobicContact CB-CG 4.5Å; V452-L456 HydrophobicContact CG1-CD1 4.09Å; V452-L456 VanDerWaalsContact O-CG 3.31Å; V452-L456 WeakPolarHBondContact O-CG 3.38Å; V452-L456 PolarHBondContact O-N 2.92Å; E453-L456 PolarHBondContact O-N 3.22Å; E453-L456 VanDerWaalsContact O-N 3.11Å; L456-G458 VanDerWaalsContact C-N 3.3Å; L456-G458 PolarHBondContact O-N 3.45Å; L456-H459 CarbonylContact O-C 3.6Å; L456-H459 PolarHBondContact O-N 3.5Å; L456-K460 PolarHBondContact O-N 3.39Å; L456-K460 VanDerWaalsContact O-N 3.12Å; L456-L463 HydrophobicContact CB-CD1 4.42Å; L456-L463 HydrophobicContact CD2-CD2 3.83Å; L456-I471 HydrophobicContact CB-CD1 3.72Å; L456-I471 HydrophobicContact CB-CG1 4.11Å; L456-I471 HydrophobicContact CD1-CD1 4.06Å
457	K	95.3	Very high	92.4	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.057	25%	0.25	C	S	.	.	H	α-helix	trans	-55.8	-44.2	172.7	-74.8	174.4	-175.7	161.5	0	111.5	E453 E454 H459 K460 I471 E478	E453-K457 WeakPolarHBondContact O-CG 3.22Å; E453-K457 PolarHBondContact O-N 3.3Å; E453-K457 WeakPolarHBondContact OE1-CE 3.24Å; E453-K457 IonicContact OE1-NZ 2.78Å; E453-K457 PolarHBondContact OE1-NZ 2.9Å; E454-K457 PolarHBondContact O-N 3.15Å; E454-K457 IonicContact OE1-NZ 3.57Å; E454-K457 PolarHBondContact OE1-NZ 3.04Å; K457-H459 PolarHBondContact O-N 3.15Å; K457-H459 VanDerWaalsContact O-N 3.08Å; K457-K460 WeakPolarHBondContact O-CB 3.44Å; K457-K460 PolarHBondContact O-N 2.82Å; K457-K460 VanDerWaalsContact O-N 3.14Å; K457-I471 HydrophobicContact CG-CG2 3.67Å; K457-E478 WeakPolarHBondContact CE-OE2 3.32Å; K457-E478 IonicContact NZ-OE1 3.56Å; K457-E478 PolarHBondContact NZ-OE1 3.22Å; K457-E478 IonicContact NZ-OE2 3.26Å; K457-E478 PolarHBondContact NZ-OE2 2.67Å
458	G	93.5	Very high	92.9	Very high	64 Å²	64	41.7 Å²	41.7	66%	0.66	23%	0.233	S	C	*	.	H	α-helix	trans	-59.5	-19.9	175.7	0	0	0	0	0	114.8	E454 C455 L456	E454-G458 PolarHBondContact O-N 3.28Å; E454-G458 VanDerWaalsContact O-N 3.13Å; C455-G458 PolarHBondContact O-N 2.81Å; L456-G458 VanDerWaalsContact C-N 3.3Å; L456-G458 PolarHBondContact O-N 3.45Å
459	H	94.5	Very high	93.2	Very high	74 Å²	74	43.8 Å²	43.8	34%	0.343	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	17	179.7	-67.2	-66.7	0	0	0	113.7	H441 C455 L456 K457 N461 D462 L463	H441-H459 AromaticContact CE1-CG 3.8Å; H441-H459 AromaticContact CE1-ND1 3.81Å; H441-H459 AromaticContact CG-CD2 3.81Å; H441-H459 AromaticContact CG-CG 3.72Å; H441-H459 AromaticContact ND1-CD2 3.66Å; H441-H459 AromaticContact ND1-CE1 3.79Å; H441-H459 AromaticContact ND1-CG 3.28Å; H441-H459 VanDerWaalsContact ND1-CG 3.28Å; H441-H459 AromaticContact ND1-ND1 3.37Å; H441-H459 PolarHBondContact ND1-ND1 2.98Å; H441-H459 AromaticContact ND1-NE2 3.94Å; C455-H459 PolarHBondContact O-CD2 3.28Å; C455-H459 VanDerWaalsContact O-CD2 3.31Å; C455-H459 PolarHBondContact O-N 3.1Å; L456-H459 CarbonylContact O-C 3.6Å; L456-H459 PolarHBondContact O-N 3.5Å; K457-H459 PolarHBondContact O-N 3.15Å; K457-H459 VanDerWaalsContact O-N 3.08Å; H459-N461 PolarHBondContact O-N 2.96Å; H459-D462 PolarHBondContact O-N 3.07Å; H459-L463 HydrophobicContact CB-CD2 4.34Å; H459-L463 WeakPolarHBondContact O-CG 3.48Å; H459-L463 PolarHBondContact O-N 3.28Å
460	K	92	Very high	93.4	Very high	17 Å²	17	44 Å²	44	7%	0.074	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-46.9	-39.3	-171.7	-175.7	175.6	172.7	-176.9	0	115.1	L456 K457 D462 L463 R468 E475 D572	L456-K460 PolarHBondContact O-N 3.39Å; L456-K460 VanDerWaalsContact O-N 3.12Å; K457-K460 WeakPolarHBondContact O-CB 3.44Å; K457-K460 PolarHBondContact O-N 2.82Å; K457-K460 VanDerWaalsContact O-N 3.14Å; K460-D462 VanDerWaalsContact C-N 3.28Å; K460-D462 PolarHBondContact O-N 3.08Å; K460-L463 PolarHBondContact O-N 3.2Å; K460-R468 HydrophobicContact CG-CG 4.34Å; K460-R468 PolarHBondContact O-NH1 2.87Å; K460-R468 VanDerWaalsContact O-NH1 3.12Å; K460-E475 WeakPolarHBondContact CD-OE1 3.43Å; K460-E475 WeakPolarHBondContact CE-OE2 3.46Å; K460-E475 VanDerWaalsContact NZ-CD 3.3Å; K460-E475 IonicContact NZ-OE1 3.94Å; K460-E475 PolarHBondContact NZ-OE1 3.44Å; K460-E475 VanDerWaalsContact NZ-OE1 3.12Å; K460-E475 IonicContact NZ-OE2 2.73Å; K460-E475 PolarHBondContact NZ-OE2 2.99Å; K460-D572 VanDerWaalsContact CE-OD2 3.27Å; K460-D572 WeakPolarHBondContact CE-OD2 3.48Å; K460-D572 IonicContact NZ-OD2 3.88Å
461	N	87.6	Confident	93.5	Very high	121 Å²	121	43.4 Å²	43.4	65%	0.647	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-66.4	-28.6	-179.3	-69.4	-32.2	0	0	0	113.4	H459 R468	H459-N461 PolarHBondContact O-N 2.96Å; N461-R468 PolarHBondContact O-NH1 3.23Å; N461-R468 PolarHBondContact O-NH2 2.69Å
462	D	93.1	Very high	93.6	Very high	94 Å²	94	40.5 Å²	40.5	50%	0.503	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-99	0.6	-175.5	-65.6	-27.5	0	0	0	113.8	K440 H459 K460	K440-D462 PolarHBondContact NZ-O 2.87Å; H459-D462 PolarHBondContact O-N 3.07Å; K460-D462 VanDerWaalsContact C-N 3.28Å; K460-D462 PolarHBondContact O-N 3.08Å
463	L	94.6	Very high	93.5	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.233	C	C	.	.	S	Bend	trans	-74	153.8	-179.2	-58.7	-177.3	0	0	0	112.7	D437 L456 H459 K460 C467 R468 I471	D437-L463 HydrophobicContact CB-CD2 3.72Å; D437-L463 WeakPolarHBondContact OD1-CA 3.24Å; L456-L463 HydrophobicContact CB-CD1 4.42Å; L456-L463 HydrophobicContact CD2-CD2 3.83Å; H459-L463 HydrophobicContact CB-CD2 4.34Å; H459-L463 WeakPolarHBondContact O-CG 3.48Å; H459-L463 PolarHBondContact O-N 3.28Å; K460-L463 PolarHBondContact O-N 3.2Å; L463-C467 HydrophobicContact CB-CB 4.48Å; L463-R468 HydrophobicContact CB-CB 4.24Å; L463-R468 PolarHBondContact O-NH2 2.88Å; L463-I471 HydrophobicContact CD1-CB 4.5Å; L463-I471 HydrophobicContact CD1-CG1 3.89Å
464	E	94.9	Very high	93.4	Very high	97 Å²	97	44.3 Å²	44.3	45%	0.453	24%	0.237	S	C	.	.			trans	-64.6	151.4	168.9	-67.7	-177.4	179.2	0	0	111.5	A436 D437 L466 C467 R468	A436-E464 WeakPolarHBondContact CB-OE1 3.36Å; D437-E464 VanDerWaalsContact CG-N 3.33Å; D437-E464 PolarHBondContact OD1-N 2.96Å; D437-E464 VanDerWaalsContact OD1-N 3.08Å; D437-E464 WeakPolarHBondContact OD2-CB 3.26Å; D437-E464 PolarHBondContact OD2-N 3.08Å; E464-L466 VanDerWaalsContact C-N 3.25Å; E464-L466 PolarHBondContact O-N 2.93Å; E464-L466 VanDerWaalsContact O-N 3.11Å; E464-C467 PolarHBondContact O-N 3.03Å; E464-C467 VanDerWaalsContact O-N 3.13Å; E464-R468 WeakPolarHBondContact O-CB 3.49Å; E464-R468 PolarHBondContact O-N 3.28Å
465	P	93.3	Very high	93.5	Very high	86 Å²	86	43 Å²	43	56%	0.558	23%	0.231	S	C	*	.	H	α-helix	trans	-55.6	-34.5	-174	-28.4	35.3	0	0	0	115	K469	P465-K469 VanDerWaalsContact O-CG 3.23Å; P465-K469 WeakPolarHBondContact O-CG 3.47Å; P465-K469 PolarHBondContact O-N 3.03Å
466	L	93.2	Very high	93.3	Very high	116 Å²	116	42.9 Å²	42.9	61%	0.607	23%	0.228	S	C	*	.	H	α-helix	trans	-73.2	-43	179.2	-63.8	177.8	0	0	0	111.8	V433 E464 K469 Y470	V433-L466 VanDerWaalsContact CG1-C 3.48Å; V433-L466 HydrophobicContact CG1-CB 3.75Å; V433-L466 WeakPolarHBondContact CG1-O 3.46Å; E464-L466 VanDerWaalsContact C-N 3.25Å; E464-L466 PolarHBondContact O-N 2.93Å; E464-L466 VanDerWaalsContact O-N 3.11Å; L466-K469 PolarHBondContact O-N 3.33Å; L466-Y470 PolarHBondContact O-N 3.39Å
467	C	95.1	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176	-174.3	0	0	0	0	111.4	C434 D437 L463 E464 K469 Y470 I471	C434-C467 HydrophobicContact CB-CB 3.94Å; C434-C467 WeakPolarHBondContact CB-SG 3.28Å; C434-C467 WeakPolarHBondContact SG-CA 2.93Å; C434-C467 WeakPolarHBondContact SG-CB 3.16Å; C434-C467 CovalentContact SG-SG 2.04Å; C434-C467 PolarHBondContact SG-SG 3.37Å; D437-C467 WeakPolarHBondContact OD2-CB 3.17Å; L463-C467 HydrophobicContact CB-CB 4.48Å; E464-C467 PolarHBondContact O-N 3.03Å; E464-C467 VanDerWaalsContact O-N 3.13Å; C467-K469 VanDerWaalsContact C-N 3.32Å; C467-K469 PolarHBondContact O-N 2.95Å; C467-Y470 WeakPolarHBondContact O-CA 3.32Å; C467-Y470 WeakPolarHBondContact O-CB 3.31Å; C467-Y470 PolarHBondContact O-N 3.17Å; C467-I471 WeakPolarHBondContact O-CG1 3.34Å; C467-I471 PolarHBondContact O-N 3.3Å
468	R	94.7	Very high	93.2	Very high	44 Å²	44	42.6 Å²	42.6	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-44.9	174	-167.5	-173.2	-48.2	-111.3	-2.8	112.6	K460 N461 L463 E464 Y470 I471 F472 D572	K460-R468 HydrophobicContact CG-CG 4.34Å; K460-R468 PolarHBondContact O-NH1 2.87Å; K460-R468 VanDerWaalsContact O-NH1 3.12Å; N461-R468 PolarHBondContact O-NH1 3.23Å; N461-R468 PolarHBondContact O-NH2 2.69Å; L463-R468 HydrophobicContact CB-CB 4.24Å; L463-R468 PolarHBondContact O-NH2 2.88Å; E464-R468 WeakPolarHBondContact O-CB 3.49Å; E464-R468 PolarHBondContact O-N 3.28Å; R468-Y470 VanDerWaalsContact C-N 3.33Å; R468-Y470 PolarHBondContact O-N 2.93Å; R468-I471 PolarHBondContact O-N 3.37Å; R468-F472 WeakPolarHBondContact O-CB 3.44Å; R468-F472 PolarHBondContact O-N 3.21Å; R468-D572 WeakPolarHBondContact CD-OD1 3.4Å
469	K	92.3	Very high	93.2	Very high	67 Å²	67	40.1 Å²	40.1	29%	0.291	20%	0.198	S	C	.	.	H	α-helix	trans	-65.2	-34.4	174.7	-73.2	174.1	-179.9	-177	0	113	P465 L466 C467 R473 D570	P465-K469 VanDerWaalsContact O-CG 3.23Å; P465-K469 WeakPolarHBondContact O-CG 3.47Å; P465-K469 PolarHBondContact O-N 3.03Å; L466-K469 PolarHBondContact O-N 3.33Å; C467-K469 VanDerWaalsContact C-N 3.32Å; C467-K469 PolarHBondContact O-N 2.95Å; K469-R473 WeakPolarHBondContact O-CG 3.37Å; K469-R473 PolarHBondContact O-N 2.96Å; K469-R473 PolarHBondContact O-NE 3.02Å; K469-D570 WeakPolarHBondContact CA-O 3.24Å; K469-D570 HydrophobicContact CB-CB 3.99Å; K469-D570 HydrophobicContact CG-CB 4.11Å; K469-D570 WeakPolarHBondContact CG-O 3.38Å
470	Y	92	Very high	93.1	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-51.2	173.6	175.4	-84.7	0	0	0	110.7	D427 D429 M430 L466 C467 R468 F472 R473 K474	D427-Y470 PolarHBondContact OD2-OH 3.16Å; D429-Y470 HydrophobicContact CB-CE2 4.16Å; M430-Y470 HydrophobicContact CB-CE1 4Å; M430-Y470 HydrophobicContact CB-CE2 4.3Å; M430-Y470 WeakPolarHBondContact CB-OH 3.35Å; M430-Y470 HydrophobicContact CG-CE1 3.78Å; M430-Y470 HydrophobicContact SD-CE1 4.41Å; L466-Y470 PolarHBondContact O-N 3.39Å; C467-Y470 WeakPolarHBondContact O-CA 3.32Å; C467-Y470 WeakPolarHBondContact O-CB 3.31Å; C467-Y470 PolarHBondContact O-N 3.17Å; R468-Y470 VanDerWaalsContact C-N 3.33Å; R468-Y470 PolarHBondContact O-N 2.93Å; Y470-F472 PolarHBondContact O-N 3.15Å; Y470-R473 WeakPolarHBondContact O-CB 3.46Å; Y470-R473 PolarHBondContact O-N 3.32Å; Y470-K474 HydrophobicContact CE1-CG 4.1Å; Y470-K474 VanDerWaalsContact CZ-CE 3.47Å; Y470-K474 PolarHBondContact O-N 2.88Å; Y470-K474 WeakPolarHBondContact OH-CE 3.15Å; Y470-K474 PolarHBondContact OH-NZ 2.8Å
471	I	94.2	Very high	93.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-43.6	177.7	-63.3	-60.4	0	0	0	111.4	E453 L456 K457 L463 C467 R468 R473 K474 E475	E453-I471 HydrophobicContact CG-CD1 3.95Å; L456-I471 HydrophobicContact CB-CD1 3.72Å; L456-I471 HydrophobicContact CB-CG1 4.11Å; L456-I471 HydrophobicContact CD1-CD1 4.06Å; K457-I471 HydrophobicContact CG-CG2 3.67Å; L463-I471 HydrophobicContact CD1-CB 4.5Å; L463-I471 HydrophobicContact CD1-CG1 3.89Å; C467-I471 WeakPolarHBondContact O-CG1 3.34Å; C467-I471 PolarHBondContact O-N 3.3Å; R468-I471 PolarHBondContact O-N 3.37Å; I471-R473 VanDerWaalsContact C-N 3.27Å; I471-R473 PolarHBondContact O-N 3.29Å; I471-K474 WeakPolarHBondContact O-CA 3.33Å; I471-K474 WeakPolarHBondContact O-CB 2.83Å; I471-K474 PolarHBondContact O-N 2.94Å; I471-E475 HydrophobicContact CG2-CG 4.34Å; I471-E475 PolarHBondContact O-N 3.47Å
472	F	93.1	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-31.1	178.8	-174.9	-108.4	0	0	0	113.4	R468 Y470 K474 E475 K476 D539 R541 L542 D570 D572	R468-F472 WeakPolarHBondContact O-CB 3.44Å; R468-F472 PolarHBondContact O-N 3.21Å; Y470-F472 PolarHBondContact O-N 3.15Å; F472-K474 VanDerWaalsContact C-N 3.35Å; F472-E475 WeakPolarHBondContact CA-OE2 3.42Å; F472-E475 WeakPolarHBondContact CD2-OE2 3.32Å; F472-K476 HydrophobicContact CD1-CD 4.19Å; F472-K476 HydrophobicContact CD1-CG 4.44Å; F472-K476 HydrophobicContact CE1-CD 3.68Å; F472-K476 HydrophobicContact CE1-CG 4.04Å; F472-K476 HydrophobicContact CZ-CD 4.15Å; F472-K476 HydrophobicContact CZ-CG 4.1Å; F472-K476 WeakPolarHBondContact O-CG 3.16Å; F472-K476 PolarHBondContact O-N 2.62Å; F472-K476 VanDerWaalsContact O-N 3.09Å; F472-D539 HydrophobicContact CE2-CB 3.8Å; F472-D539 HydrophobicContact CZ-CB 4.02Å; F472-R541 HydrophobicContact CZ-CB 4.37Å; F472-R541 VanDerWaalsContact CZ-CZ 3.49Å; F472-L542 HydrophobicContact CD2-CD1 4.37Å; F472-L542 HydrophobicContact CE2-CD1 3.91Å; F472-L542 HydrophobicContact CE2-CD2 3.96Å; F472-L542 HydrophobicContact CE2-CG 3.91Å; F472-D570 VanDerWaalsContact CD1-O 3.25Å; F472-D570 WeakPolarHBondContact CD1-O 3.41Å; F472-D572 HydrophobicContact CD2-CB 3.82Å; F472-D572 HydrophobicContact CE2-CB 3.99Å; F472-D572 HydrophobicContact CG-CB 4.22Å
473	R	91.5	Very high	93.5	Very high	59 Å²	59	27.9 Å²	27.9	22%	0.223	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-39	171.8	-79.4	-178	-71	165	0.8	112.3	E390 K469 Y470 I471 L477 D570	E390-R473 IonicContact OE1-NH1 3.97Å; K469-R473 WeakPolarHBondContact O-CG 3.37Å; K469-R473 PolarHBondContact O-N 2.96Å; K469-R473 PolarHBondContact O-NE 3.02Å; Y470-R473 WeakPolarHBondContact O-CB 3.46Å; Y470-R473 PolarHBondContact O-N 3.32Å; I471-R473 VanDerWaalsContact C-N 3.27Å; I471-R473 PolarHBondContact O-N 3.29Å; R473-L477 PolarHBondContact O-N 3.1Å; R473-D570 WeakPolarHBondContact CD-OD1 3.39Å; R473-D570 WeakPolarHBondContact CD-OD2 3.27Å; R473-D570 HydrophobicContact CG-CB 4.13Å; R473-D570 VanDerWaalsContact CG-CG 3.44Å; R473-D570 WeakPolarHBondContact CG-OD1 3.36Å; R473-D570 IonicContact NE-OD2 2.8Å
474	K	92.3	Very high	93.5	Very high	20 Å²	20	27.8 Å²	27.8	9%	0.087	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-49.1	177	-63.9	-80.8	-174.5	162	0	111.1	Y416 E420 D427 E453 Y470 I471 F472 K476 L477 E478	Y416-K474 HydrophobicContact CE2-CD 4.39Å; Y416-K474 WeakPolarHBondContact OH-CD 3.23Å; Y416-K474 PolarHBondContact OH-NZ 3.45Å; E420-K474 IonicContact OE1-NZ 2.84Å; E420-K474 PolarHBondContact OE1-NZ 3.29Å; D427-K474 IonicContact OD2-NZ 2.98Å; E453-K474 VanDerWaalsContact OE1-CB 3.31Å; E453-K474 WeakPolarHBondContact OE1-CB 3.44Å; Y470-K474 HydrophobicContact CE1-CG 4.1Å; Y470-K474 VanDerWaalsContact CZ-CE 3.47Å; Y470-K474 PolarHBondContact O-N 2.88Å; Y470-K474 WeakPolarHBondContact OH-CE 3.15Å; Y470-K474 PolarHBondContact OH-NZ 2.8Å; I471-K474 WeakPolarHBondContact O-CA 3.33Å; I471-K474 WeakPolarHBondContact O-CB 2.83Å; I471-K474 PolarHBondContact O-N 2.94Å; F472-K474 VanDerWaalsContact C-N 3.35Å; K474-K476 VanDerWaalsContact C-N 3.3Å; K474-K476 PolarHBondContact O-N 3.36Å; K474-L477 WeakPolarHBondContact O-CA 3.41Å; K474-L477 VanDerWaalsContact O-CB 3.26Å; K474-L477 WeakPolarHBondContact O-CB 3.49Å; K474-L477 PolarHBondContact O-N 3.08Å; K474-E478 WeakPolarHBondContact O-CG 3.37Å; K474-E478 PolarHBondContact O-N 2.93Å
475	E	94.6	Very high	93.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-55.4	-44.5	175.3	-67.4	170.6	145.5	0	0	111.5	K460 I471 F472 L477 E478 F479 L542	K460-E475 WeakPolarHBondContact CD-OE1 3.43Å; K460-E475 WeakPolarHBondContact CE-OE2 3.46Å; K460-E475 VanDerWaalsContact NZ-CD 3.3Å; K460-E475 IonicContact NZ-OE1 3.94Å; K460-E475 PolarHBondContact NZ-OE1 3.44Å; K460-E475 VanDerWaalsContact NZ-OE1 3.12Å; K460-E475 IonicContact NZ-OE2 2.73Å; K460-E475 PolarHBondContact NZ-OE2 2.99Å; I471-E475 HydrophobicContact CG2-CG 4.34Å; I471-E475 PolarHBondContact O-N 3.47Å; F472-E475 WeakPolarHBondContact CA-OE2 3.42Å; F472-E475 WeakPolarHBondContact CD2-OE2 3.32Å; E475-L477 PolarHBondContact O-N 3Å; E475-E478 PolarHBondContact O-N 3.03Å; E475-F479 HydrophobicContact CB-CD2 4.42Å; E475-F479 VanDerWaalsContact O-CD2 3.28Å; E475-F479 WeakPolarHBondContact O-CD2 3.28Å; E475-F479 PolarHBondContact O-N 3.16Å; E475-L542 HydrophobicContact CB-CD1 4.29Å; E475-L542 HydrophobicContact CB-CD2 3.84Å
476	K	92.6	Very high	93.6	Very high	17 Å²	17	19.9 Å²	19.9	7%	0.074	9%	0.093	C	C	.	.	H	α-helix	trans	-56.1	-38.9	175.9	-77.7	-175.4	-65.8	-178.8	0	112.5	I393 M397 F472 K474 V480 R541 L542 P569 D570	I393-K476 HydrophobicContact CD1-CB 4.33Å; I393-K476 HydrophobicContact CG2-CB 4.34Å; M397-K476 HydrophobicContact CE-CB 3.83Å; M397-K476 HydrophobicContact CE-CD 4.41Å; M397-K476 HydrophobicContact CE-CG 3.94Å; F472-K476 HydrophobicContact CD1-CD 4.19Å; F472-K476 HydrophobicContact CD1-CG 4.44Å; F472-K476 HydrophobicContact CE1-CD 3.68Å; F472-K476 HydrophobicContact CE1-CG 4.04Å; F472-K476 HydrophobicContact CZ-CD 4.15Å; F472-K476 HydrophobicContact CZ-CG 4.1Å; F472-K476 WeakPolarHBondContact O-CG 3.16Å; F472-K476 PolarHBondContact O-N 2.62Å; F472-K476 VanDerWaalsContact O-N 3.09Å; K474-K476 VanDerWaalsContact C-N 3.3Å; K474-K476 PolarHBondContact O-N 3.36Å; K476-V480 WeakPolarHBondContact O-CB 3.36Å; K476-V480 WeakPolarHBondContact O-CG2 3.47Å; K476-V480 PolarHBondContact O-N 2.93Å; K476-R541 HydrophobicContact CD-CB 4.49Å; K476-L542 HydrophobicContact CB-CD2 4.38Å; K476-L542 HydrophobicContact CG-CD2 3.83Å; K476-P569 PolarHBondContact NZ-O 3.43Å; K476-D570 IonicContact NZ-OD1 3.66Å; K476-D570 PolarHBondContact NZ-OD1 2.87Å
477	L	92.7	Very high	93.7	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-66.3	-49.3	177.9	-169.9	58.1	0	0	0	111.1	M392 I393 Y416 R473 K474 E475 F479 V480 D481 F484	M392-L477 HydrophobicContact CE-CD1 3.4Å; M392-L477 VanDerWaalsContact CE-CD1 3.4Å; I393-L477 HydrophobicContact CD1-CB 3.89Å; I393-L477 HydrophobicContact CD1-CD1 3.89Å; I393-L477 HydrophobicContact CD1-CG 4.45Å; I393-L477 HydrophobicContact CG1-CB 4.36Å; I393-L477 HydrophobicContact CG1-CD1 3.76Å; Y416-L477 HydrophobicContact CD2-CD2 3.9Å; Y416-L477 HydrophobicContact CE2-CD2 3.38Å; R473-L477 PolarHBondContact O-N 3.1Å; K474-L477 WeakPolarHBondContact O-CA 3.41Å; K474-L477 VanDerWaalsContact O-CB 3.26Å; K474-L477 WeakPolarHBondContact O-CB 3.49Å; K474-L477 PolarHBondContact O-N 3.08Å; E475-L477 PolarHBondContact O-N 3Å; L477-F479 PolarHBondContact O-N 3.26Å; L477-V480 PolarHBondContact O-N 2.84Å; L477-D481 PolarHBondContact O-N 3.22Å; L477-F484 HydrophobicContact CD1-CD1 4.45Å; L477-F484 HydrophobicContact CD1-CD2 4.11Å; L477-F484 HydrophobicContact CD1-CE1 4.48Å; L477-F484 HydrophobicContact CD1-CE2 4.15Å; L477-F484 HydrophobicContact CD1-CG 4.27Å; L477-F484 HydrophobicContact CD1-CZ 4.33Å; L477-F484 HydrophobicContact CD2-CB 4.27Å; L477-F484 HydrophobicContact CD2-CD1 3.56Å; L477-F484 HydrophobicContact CD2-CE1 3.96Å; L477-F484 HydrophobicContact CD2-CG 3.88Å; L477-F484 HydrophobicContact CG-CB 3.97Å; L477-F484 HydrophobicContact CG-CD1 3.9Å; L477-F484 HydrophobicContact CG-CD2 3.97Å; L477-F484 HydrophobicContact CG-CE1 4.38Å; L477-F484 HydrophobicContact CG-CE2 4.45Å; L477-F484 HydrophobicContact CG-CG 3.68Å
478	E	94.9	Very high	93.7	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.014	8%	0.075	C	C	.	.	H	α-helix	trans	-62.9	-40	-178	-69.2	178.3	155	0	0	113.1	K457 K474 E475 D481 N482 F484 D485	K457-E478 WeakPolarHBondContact CE-OE2 3.32Å; K457-E478 IonicContact NZ-OE1 3.56Å; K457-E478 PolarHBondContact NZ-OE1 3.22Å; K457-E478 IonicContact NZ-OE2 3.26Å; K457-E478 PolarHBondContact NZ-OE2 2.67Å; K474-E478 WeakPolarHBondContact O-CG 3.37Å; K474-E478 PolarHBondContact O-N 2.93Å; E475-E478 PolarHBondContact O-N 3.03Å; E478-D481 CarbonylContact O-C 3.51Å; E478-D481 VanDerWaalsContact O-C 3.23Å; E478-N482 WeakPolarHBondContact O-CA 3.29Å; E478-N482 PolarHBondContact O-N 2.91Å; E478-N482 PolarHBondContact O-ND2 3.43Å; E478-F484 HydrophobicContact CG-CB 4.43Å; E478-D485 HydrophobicContact CB-CB 4Å; E478-D485 HydrophobicContact CG-CB 4.08Å
479	F	94.7	Very high	93.7	Very high	12 Å²	12	16.4 Å²	16.4	5%	0.053	8%	0.076	C	C	.	.	H	α-helix	trans	-75.1	-31.2	179.1	-84.5	-74.4	0	0	0	113.2	E475 L477 F509 R532 E535 Q536 L542 P544	E475-F479 HydrophobicContact CB-CD2 4.42Å; E475-F479 VanDerWaalsContact O-CD2 3.28Å; E475-F479 WeakPolarHBondContact O-CD2 3.28Å; E475-F479 PolarHBondContact O-N 3.16Å; L477-F479 PolarHBondContact O-N 3.26Å; F479-F509 HydrophobicContact CD1-CD1 4.5Å; F479-F509 HydrophobicContact CE1-CD1 4.07Å; F479-F509 AromaticContact CE1-CE1 3.85Å; F479-F509 HydrophobicContact CE1-CE1 3.85Å; F479-R532 HydrophobicContact CE1-CB 4.49Å; F479-R532 HydrophobicContact CZ-CB 4.1Å; F479-R532 VanDerWaalsContact CZ-O 3.23Å; F479-R532 WeakPolarHBondContact CZ-O 3.37Å; F479-E535 HydrophobicContact CE2-CB 3.82Å; F479-E535 HydrophobicContact CZ-CB 3.9Å; F479-Q536 HydrophobicContact CD1-CB 4.31Å; F479-Q536 HydrophobicContact CE1-CB 3.62Å; F479-Q536 HydrophobicContact CE1-CG 4.32Å; F479-Q536 HydrophobicContact CZ-CB 3.93Å; F479-L542 HydrophobicContact CB-CB 4.47Å; F479-L542 WeakPolarHBondContact CD1-O 3.45Å; F479-L542 HydrophobicContact CD2-CB 3.96Å; F479-L542 HydrophobicContact CD2-CD1 4.45Å; F479-L542 HydrophobicContact CD2-CD2 3.96Å; F479-L542 HydrophobicContact CD2-CG 4.32Å; F479-L542 HydrophobicContact CE2-CB 4.45Å; F479-L542 HydrophobicContact CG-CB 4.1Å; F479-L542 WeakPolarHBondContact CG-O 3.48Å; F479-P544 WeakPolarHBondContact O-CG 2.91Å
480	V	91.8	Very high	93.8	Very high	11 Å²	11	20.6 Å²	20.6	7%	0.067	10%	0.095	C	C	.	.	H	α-helix	trans	-72.9	-39.7	175.2	164.9	0	0	0	0	111.6	L396 M397 K476 L477 P544	L396-V480 HydrophobicContact CB-CG1 3.5Å; L396-V480 VanDerWaalsContact CB-CG1 3.5Å; L396-V480 HydrophobicContact CD1-CG1 3.25Å; L396-V480 HydrophobicContact CG-CG1 3.99Å; M397-V480 HydrophobicContact CE-CG2 3.13Å; M397-V480 HydrophobicContact CG-CG2 3.5Å; M397-V480 HydrophobicContact SD-CG2 4.12Å; K476-V480 WeakPolarHBondContact O-CB 3.36Å; K476-V480 WeakPolarHBondContact O-CG2 3.47Å; K476-V480 PolarHBondContact O-N 2.93Å; L477-V480 PolarHBondContact O-N 2.84Å; V480-P544 HydrophobicContact CG2-CB 4.44Å
481	D	92.7	Very high	94	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.011	10%	0.103	C	C	.	.			trans	-140.3	102.7	-179.8	178.6	-15.5	0	0	0	108.9	R413 L477 E478 T483 F484 E506	R413-D481 IonicContact CZ-OD2 3.62Å; R413-D481 IonicContact NE-OD2 3.69Å; R413-D481 PolarHBondContact NE-OD2 3.3Å; R413-D481 IonicContact NH2-OD2 3.55Å; R413-D481 PolarHBondContact NH2-OD2 2.87Å; L477-D481 PolarHBondContact O-N 3.22Å; E478-D481 CarbonylContact O-C 3.51Å; E478-D481 VanDerWaalsContact O-C 3.23Å; D481-T483 VanDerWaalsContact CG-OG1 3.23Å; D481-T483 PolarHBondContact O-N 3.35Å; D481-T483 VanDerWaalsContact OD1-CB 3.23Å; D481-T483 WeakPolarHBondContact OD1-CB 3.32Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.38Å; D481-T483 PolarHBondContact OD1-N 2.77Å; D481-T483 PolarHBondContact OD1-OG1 3.31Å; D481-T483 PolarHBondContact OD2-OG1 2.89Å; D481-F484 HydrophobicContact CB-CD2 3.76Å; D481-F484 HydrophobicContact CB-CE2 4.07Å; D481-F484 PolarHBondContact O-N 2.55Å; D481-F484 WeakPolarHBondContact OD2-CE2 3.37Å; D481-E506 WeakPolarHBondContact OD1-CG 3.32Å
482	N	94.9	Very high	94.1	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.048	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-4.1	-176.1	-53.6	154.6	0	0	0	113.4	E478 F484 D485 L488 Q489 E506 H507 V508 F509	E478-N482 WeakPolarHBondContact O-CA 3.29Å; E478-N482 PolarHBondContact O-N 2.91Å; E478-N482 PolarHBondContact O-ND2 3.43Å; N482-F484 PolarHBondContact O-N 2.72Å; N482-D485 PolarHBondContact O-N 3.33Å; N482-L488 HydrophobicContact CB-CD2 4.3Å; N482-Q489 WeakPolarHBondContact O-CG 3.44Å; N482-Q489 PolarHBondContact O-NE2 2.81Å; N482-E506 VanDerWaalsContact CG-O 3.27Å; N482-E506 PolarHBondContact N-O 3.08Å; N482-E506 PolarHBondContact OD1-O 3.26Å; N482-H507 VanDerWaalsContact OD1-C 3.23Å; N482-H507 WeakPolarHBondContact OD1-CA 3.25Å; N482-V508 HydrophobicContact CB-CG2 3.98Å; N482-V508 PolarHBondContact OD1-N 3.49Å; N482-F509 WeakPolarHBondContact OD1-CB 2.96Å; N482-F509 PolarHBondContact OD1-N 2.88Å
483	T	93.6	Very high	94.3	Very high	28 Å²	28	24.4 Å²	24.4	17%	0.172	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.5	170	68.5	0	0	0	0	112.9	R413 D481 K505 E506	R413-T483 VanDerWaalsContact CD-OG1 3.25Å; R413-T483 WeakPolarHBondContact CD-OG1 3.46Å; R413-T483 PolarHBondContact NE-OG1 2.63Å; D481-T483 VanDerWaalsContact CG-OG1 3.23Å; D481-T483 PolarHBondContact O-N 3.35Å; D481-T483 VanDerWaalsContact OD1-CB 3.23Å; D481-T483 WeakPolarHBondContact OD1-CB 3.32Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.38Å; D481-T483 PolarHBondContact OD1-N 2.77Å; D481-T483 PolarHBondContact OD1-OG1 3.31Å; D481-T483 PolarHBondContact OD2-OG1 2.89Å; T483-K505 HydrophobicContact CG2-CB 3.65Å; T483-E506 HydrophobicContact CG2-CG 4.29Å
484	F	94.5	Very high	94.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	14%	0.141	C	C	.	.	S	Bend	trans	-84.9	-20.6	172.4	-68.8	-87.8	0	0	0	113.2	M392 L412 R413 Y416 L477 E478 D481 N482 L486	M392-F484 HydrophobicContact CE-CD2 4.14Å; M392-F484 HydrophobicContact CE-CE2 3.2Å; M392-F484 HydrophobicContact CE-CZ 3.5Å; M392-F484 VanDerWaalsContact CE-CZ 3.5Å; M392-F484 HydrophobicContact SD-CE2 4.28Å; M392-F484 HydrophobicContact SD-CZ 4.42Å; L412-F484 HydrophobicContact CG-CZ 4.43Å; R413-F484 HydrophobicContact CB-CE1 4.47Å; R413-F484 HydrophobicContact CB-CZ 4.23Å; R413-F484 HydrophobicContact CG-CD2 4.38Å; R413-F484 HydrophobicContact CG-CE1 3.99Å; R413-F484 HydrophobicContact CG-CE2 3.55Å; R413-F484 HydrophobicContact CG-CZ 3.33Å; Y416-F484 AromaticContact CD1-CD1 3.55Å; Y416-F484 HydrophobicContact CD1-CD1 3.55Å; Y416-F484 HydrophobicContact CD1-CE1 4.25Å; Y416-F484 AromaticContact CD2-CD1 3.93Å; Y416-F484 HydrophobicContact CD2-CD1 3.93Å; Y416-F484 HydrophobicContact CD2-CE1 4.08Å; Y416-F484 HydrophobicContact CE1-CB 4.36Å; Y416-F484 AromaticContact CE1-CD1 3.95Å; Y416-F484 HydrophobicContact CE1-CD1 3.95Å; Y416-F484 HydrophobicContact CE2-CD1 4.3Å; Y416-F484 AromaticContact CG-CD1 3.52Å; Y416-F484 HydrophobicContact CG-CD1 3.52Å; Y416-F484 AromaticContact CG-CE1 3.77Å; Y416-F484 HydrophobicContact CG-CE1 3.77Å; L477-F484 HydrophobicContact CD1-CD1 4.45Å; L477-F484 HydrophobicContact CD1-CD2 4.11Å; L477-F484 HydrophobicContact CD1-CE1 4.48Å; L477-F484 HydrophobicContact CD1-CE2 4.15Å; L477-F484 HydrophobicContact CD1-CG 4.27Å; L477-F484 HydrophobicContact CD1-CZ 4.33Å; L477-F484 HydrophobicContact CD2-CB 4.27Å; L477-F484 HydrophobicContact CD2-CD1 3.56Å; L477-F484 HydrophobicContact CD2-CE1 3.96Å; L477-F484 HydrophobicContact CD2-CG 3.88Å; L477-F484 HydrophobicContact CG-CB 3.97Å; L477-F484 HydrophobicContact CG-CD1 3.9Å; L477-F484 HydrophobicContact CG-CD2 3.97Å; L477-F484 HydrophobicContact CG-CE1 4.38Å; L477-F484 HydrophobicContact CG-CE2 4.45Å; L477-F484 HydrophobicContact CG-CG 3.68Å; E478-F484 HydrophobicContact CG-CB 4.43Å; D481-F484 HydrophobicContact CB-CD2 3.76Å; D481-F484 HydrophobicContact CB-CE2 4.07Å; D481-F484 PolarHBondContact O-N 2.55Å; D481-F484 WeakPolarHBondContact OD2-CE2 3.37Å; N482-F484 PolarHBondContact O-N 2.72Å; F484-L486 VanDerWaalsContact C-N 3.29Å; F484-L486 PolarHBondContact O-N 3.15Å
485	D	95.8	Very high	94.7	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.138	C	C	.	.			trans	-78.2	80	173.9	-169.5	-19.3	0	0	0	110	E478 N482 M487 L488 Q489 R532	E478-D485 HydrophobicContact CB-CB 4Å; E478-D485 HydrophobicContact CG-CB 4.08Å; N482-D485 PolarHBondContact O-N 3.33Å; D485-M487 PolarHBondContact O-N 3.23Å; D485-M487 PolarHBondContact OD1-N 3.22Å; D485-L488 HydrophobicContact CB-CB 3.88Å; D485-L488 HydrophobicContact CB-CD2 4.47Å; D485-L488 PolarHBondContact O-N 3Å; D485-L488 WeakPolarHBondContact OD1-CB 3.47Å; D485-L488 PolarHBondContact OD1-N 2.98Å; D485-L488 WeakPolarHBondContact OD2-CB 3.44Å; D485-Q489 WeakPolarHBondContact O-CG 3.39Å; D485-Q489 PolarHBondContact O-N 3.33Å; D485-R532 IonicContact OD1-CZ 3.31Å; D485-R532 IonicContact OD1-NE 2.75Å; D485-R532 IonicContact OD1-NH2 3.79Å; D485-R532 PolarHBondContact OD1-NH2 2.98Å; D485-R532 VanDerWaalsContact OD1-NH2 3.11Å; D485-R532 IonicContact OD2-CZ 3.57Å; D485-R532 IonicContact OD2-NE 3.92Å; D485-R532 PolarHBondContact OD2-NE 2.73Å; D485-R532 IonicContact OD2-NH2 2.68Å
486	L	93.9	Very high	94.8	Very high	13 Å²	13	28 Å²	28	7%	0.068	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-29.6	-174	-52.7	-172.4	0	0	0	112.3	F417 E420 T421 L450 F484 K490	F417-L486 HydrophobicContact CB-CD1 4.43Å; F417-L486 HydrophobicContact CD2-CD1 3.7Å; F417-L486 HydrophobicContact CD2-CD2 3.6Å; F417-L486 HydrophobicContact CD2-CG 4.23Å; F417-L486 HydrophobicContact CE2-CD1 4.27Å; F417-L486 HydrophobicContact CE2-CD2 4.34Å; F417-L486 HydrophobicContact CG-CD1 4.32Å; E420-L486 HydrophobicContact CB-CD1 3.52Å; E420-L486 HydrophobicContact CG-CD1 4.07Å; T421-L486 HydrophobicContact CG2-CD1 4.02Å; L450-L486 HydrophobicContact CD1-CB 3.97Å; L450-L486 HydrophobicContact CD2-CB 3.97Å; F484-L486 VanDerWaalsContact C-N 3.29Å; F484-L486 PolarHBondContact O-N 3.15Å; L486-K490 WeakPolarHBondContact O-CB 3.38Å; L486-K490 PolarHBondContact O-N 2.94Å
487	M	95	Very high	94.9	Very high	47 Å²	47	33.5 Å²	33.5	23%	0.232	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-45.6	176.2	-169.5	59.9	174	0	0	110.2	L450 E454 D485 K490 V491 L528	L450-M487 HydrophobicContact CD1-CB 4.33Å; E454-M487 HydrophobicContact CG-CB 4.2Å; E454-M487 HydrophobicContact CG-CG 4.09Å; D485-M487 PolarHBondContact O-N 3.23Å; D485-M487 PolarHBondContact OD1-N 3.22Å; M487-K490 PolarHBondContact O-N 3.43Å; M487-V491 HydrophobicContact CE-CG2 3.62Å; M487-V491 HydrophobicContact CG-CG2 4.26Å; M487-V491 WeakPolarHBondContact O-CB 3.44Å; M487-V491 WeakPolarHBondContact O-CG2 3.47Å; M487-V491 PolarHBondContact O-N 3.45Å; M487-V491 HydrophobicContact SD-CG2 3.73Å; M487-L528 HydrophobicContact CG-CD1 4.14Å; M487-L528 HydrophobicContact CG-CD2 4.02Å
488	L	96.6	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-48.3	174	-175.4	74.8	0	0	0	112	N482 D485 K490 C492 V508 F509 L512 L528	N482-L488 HydrophobicContact CB-CD2 4.3Å; D485-L488 HydrophobicContact CB-CB 3.88Å; D485-L488 HydrophobicContact CB-CD2 4.47Å; D485-L488 PolarHBondContact O-N 3Å; D485-L488 WeakPolarHBondContact OD1-CB 3.47Å; D485-L488 PolarHBondContact OD1-N 2.98Å; D485-L488 WeakPolarHBondContact OD2-CB 3.44Å; L488-K490 VanDerWaalsContact C-N 3.25Å; L488-K490 PolarHBondContact O-N 3.14Å; L488-C492 WeakPolarHBondContact O-CB 3.44Å; L488-C492 PolarHBondContact O-N 2.85Å; L488-V508 HydrophobicContact CD2-CG2 4.35Å; L488-F509 HydrophobicContact CD1-CD2 4.4Å; L488-F509 HydrophobicContact CD2-CB 3.99Å; L488-F509 HydrophobicContact CD2-CD2 4.31Å; L488-L512 HydrophobicContact CD1-CD1 3.83Å; L488-L512 HydrophobicContact CD2-CD1 4.46Å; L488-L512 HydrophobicContact CG-CD1 4.22Å; L488-L528 HydrophobicContact CB-CD2 4.33Å; L488-L528 HydrophobicContact CD1-CD2 4.25Å; L488-L528 HydrophobicContact CD1-CG 4.42Å
489	Q	94.5	Very high	95.1	Very high	39 Å²	39	40.9 Å²	40.9	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-34.7	179.6	-65.8	-66.8	-34.6	0	0	112.3	N482 D485 A493	N482-Q489 WeakPolarHBondContact O-CG 3.44Å; N482-Q489 PolarHBondContact O-NE2 2.81Å; D485-Q489 WeakPolarHBondContact O-CG 3.39Å; D485-Q489 PolarHBondContact O-N 3.33Å; Q489-A493 WeakPolarHBondContact O-CA 3.31Å; Q489-A493 WeakPolarHBondContact O-CB 3.26Å
490	K	93.9	Very high	95.2	Very high	156 Å²	156	40.4 Å²	40.4	68%	0.678	20%	0.201	S	C	*	.	H	α-helix	trans	-80.4	-51.7	-179.3	-178.4	-178.7	175.7	-176.4	0	112.5	L486 M487 L488 A493	L486-K490 WeakPolarHBondContact O-CB 3.38Å; L486-K490 PolarHBondContact O-N 2.94Å; M487-K490 PolarHBondContact O-N 3.43Å; L488-K490 VanDerWaalsContact C-N 3.25Å; L488-K490 PolarHBondContact O-N 3.14Å; K490-A493 WeakPolarHBondContact O-CB 3.36Å
491	V	96.1	Very high	95.3	Very high	33 Å²	33	43.2 Å²	43.2	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-71.7	-40.3	-174	174.2	0	0	0	0	111.3	M487 E524 L528	M487-V491 HydrophobicContact CE-CG2 3.62Å; M487-V491 HydrophobicContact CG-CG2 4.26Å; M487-V491 WeakPolarHBondContact O-CB 3.44Å; M487-V491 WeakPolarHBondContact O-CG2 3.47Å; M487-V491 PolarHBondContact O-N 3.45Å; M487-V491 HydrophobicContact SD-CG2 3.73Å; V491-E524 HydrophobicContact CG1-CB 3.91Å; V491-L528 HydrophobicContact CB-CD2 3.75Å; V491-L528 HydrophobicContact CG1-CD2 4.11Å; V491-L528 HydrophobicContact CG2-CD2 4.14Å
492	C	97	Very high	95.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	17.9	-180	-64.1	0	0	0	0	113.2	L488 F494 E495 I496 L512 C525	L488-C492 WeakPolarHBondContact O-CB 3.44Å; L488-C492 PolarHBondContact O-N 2.85Å; C492-F494 VanDerWaalsContact C-N 3.27Å; C492-F494 PolarHBondContact O-N 3.32Å; C492-E495 WeakPolarHBondContact CA-OE2 3.41Å; C492-E495 PolarHBondContact O-N 3.29Å; C492-I496 HydrophobicContact CB-CD1 4.14Å; C492-I496 HydrophobicContact CB-CG1 4.25Å; C492-I496 WeakPolarHBondContact O-CB 3.22Å; C492-I496 WeakPolarHBondContact O-CG1 3.29Å; C492-I496 PolarHBondContact O-N 3.14Å; C492-L512 HydrophobicContact CB-CD1 3.9Å; C492-L512 HydrophobicContact CB-CD2 4.46Å; C492-C525 HydrophobicContact CB-CB 4.04Å; C492-C525 WeakPolarHBondContact CB-SG 3.49Å; C492-C525 WeakPolarHBondContact SG-CA 3.18Å; C492-C525 WeakPolarHBondContact SG-CB 3.37Å; C492-C525 CovalentContact SG-SG 2.04Å; C492-C525 PolarHBondContact SG-SG 3.2Å
493	A	96.2	Very high	95.3	Very high	52 Å²	52	53.3 Å²	53.3	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-56.2	-40.4	-172.4	0	0	0	0	0	113.1	Q489 K490 H497	Q489-A493 WeakPolarHBondContact O-CA 3.31Å; Q489-A493 WeakPolarHBondContact O-CB 3.26Å; K490-A493 WeakPolarHBondContact O-CB 3.36Å; A493-H497 PolarHBondContact O-N 2.66Å
494	F	95.8	Very high	95.3	Very high	133 Å²	133	57.2 Å²	57.2	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-68.6	-47.3	179.5	177.5	-99.3	0	0	0	111.3	C492 H497 Q498	C492-F494 VanDerWaalsContact C-N 3.27Å; C492-F494 PolarHBondContact O-N 3.32Å; F494-H497 PolarHBondContact O-N 3.44Å; F494-Q498 HydrophobicContact CD1-CG 4.24Å; F494-Q498 HydrophobicContact CD2-CG 4.28Å; F494-Q498 HydrophobicContact CE1-CG 3.84Å; F494-Q498 HydrophobicContact CE2-CG 3.89Å; F494-Q498 HydrophobicContact CG-CG 4.45Å; F494-Q498 HydrophobicContact CZ-CG 3.66Å; F494-Q498 WeakPolarHBondContact O-CG 3.3Å; F494-Q498 PolarHBondContact O-N 2.89Å
495	E	96.7	Very high	95.2	Very high	6 Å²	6	63.3 Å²	63.3	3%	0.028	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-38.8	179.6	-65.3	81.6	176.7	0	0	111.7	C492 H497 Q498 L499 L512 I521 S522 C525	C492-E495 WeakPolarHBondContact CA-OE2 3.41Å; C492-E495 PolarHBondContact O-N 3.29Å; E495-H497 VanDerWaalsContact C-N 3.29Å; E495-H497 PolarHBondContact O-N 3.37Å; E495-Q498 PolarHBondContact O-N 2.74Å; E495-L499 HydrophobicContact CB-CD1 4.4Å; E495-L499 WeakPolarHBondContact O-CB 3.41Å; E495-L499 PolarHBondContact O-N 2.97Å; E495-L512 HydrophobicContact CB-CD2 3.95Å; E495-I521 HydrophobicContact CG-CG1 3.88Å; E495-S522 WeakPolarHBondContact OE1-CB 2.98Å; E495-S522 PolarHBondContact OE1-N 2.03Å; E495-S522 PolarHBondContact OE1-OG 3.47Å; E495-C525 HydrophobicContact CG-CB 4.49Å
496	I	96.8	Very high	95	Very high	17 Å²	17	65.5 Å²	65.5	9%	0.087	34%	0.338	C	S	.	.	H	α-helix	trans	-58.4	-44.8	172.7	-69.9	165.4	0	0	0	109.9	C492 C500 A501 V508 L512	C492-I496 HydrophobicContact CB-CD1 4.14Å; C492-I496 HydrophobicContact CB-CG1 4.25Å; C492-I496 WeakPolarHBondContact O-CB 3.22Å; C492-I496 WeakPolarHBondContact O-CG1 3.29Å; C492-I496 PolarHBondContact O-N 3.14Å; I496-C500 CarbonylContact O-C 3.55Å; I496-C500 WeakPolarHBondContact O-CA 3.35Å; I496-C500 WeakPolarHBondContact O-CB 3.28Å; I496-C500 PolarHBondContact O-N 3.37Å; I496-C500 VanDerWaalsContact O-N 3.11Å; I496-A501 PolarHBondContact O-N 2.75Å; I496-V508 HydrophobicContact CD1-CG2 4.19Å; I496-V508 HydrophobicContact CG1-CB 4.42Å; I496-V508 HydrophobicContact CG1-CG2 4.44Å; I496-V508 HydrophobicContact CG2-CG1 4.11Å; I496-L512 HydrophobicContact CD1-CD1 4.33Å; I496-L512 HydrophobicContact CG1-CD1 3.91Å; I496-L512 HydrophobicContact CG1-CD2 4.2Å; I496-L512 HydrophobicContact CG1-CG 4.37Å
497	H	95.9	Very high	94.9	Very high	132 Å²	132	69.9 Å²	69.9	61%	0.611	36%	0.358	S	S	*	.	H	α-helix	trans	-69.5	-37.9	179.5	-174.5	63.7	0	0	0	113.2	A493 F494 E495 A501	A493-H497 PolarHBondContact O-N 2.66Å; F494-H497 PolarHBondContact O-N 3.44Å; E495-H497 VanDerWaalsContact C-N 3.29Å; E495-H497 PolarHBondContact O-N 3.37Å; H497-A501 WeakPolarHBondContact O-CB 3.49Å
498	Q	95.5	Very high	95	Very high	114 Å²	114	67.7 Å²	67.7	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-83.7	-43.4	-175.9	-68.8	-63.1	-32	0	0	113.3	F494 E495	F494-Q498 HydrophobicContact CD1-CG 4.24Å; F494-Q498 HydrophobicContact CD2-CG 4.28Å; F494-Q498 HydrophobicContact CE1-CG 3.84Å; F494-Q498 HydrophobicContact CE2-CG 3.89Å; F494-Q498 HydrophobicContact CG-CG 4.45Å; F494-Q498 HydrophobicContact CZ-CG 3.66Å; F494-Q498 WeakPolarHBondContact O-CG 3.3Å; F494-Q498 PolarHBondContact O-N 2.89Å; E495-Q498 PolarHBondContact O-N 2.74Å
499	L	95.7	Very high	95	Very high	49 Å²	49	68.1 Å²	68.1	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-102.4	-28.2	-170.1	-54.3	176.1	0	0	0	112.3	E495 H515	E495-L499 HydrophobicContact CB-CD1 4.4Å; E495-L499 WeakPolarHBondContact O-CB 3.41Å; E495-L499 PolarHBondContact O-N 2.97Å; L499-H515 HydrophobicContact CD1-CB 3.94Å
500	C	96.2	Very high	94.9	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.014	36%	0.363	C	S	.	.			trans	-120.7	21.8	-171.4	-56.8	0	0	0	0	114.2	I496 N502 V503 C511	I496-C500 CarbonylContact O-C 3.55Å; I496-C500 WeakPolarHBondContact O-CA 3.35Å; I496-C500 WeakPolarHBondContact O-CB 3.28Å; I496-C500 PolarHBondContact O-N 3.37Å; I496-C500 VanDerWaalsContact O-N 3.11Å; C500-N502 PolarHBondContact O-N 2.95Å; C500-N502 VanDerWaalsContact O-N 3.09Å; C500-V503 HydrophobicContact CB-CB 4.43Å; C500-V503 HydrophobicContact CB-CG2 4.44Å; C500-V503 WeakPolarHBondContact O-CB 3.26Å; C500-V503 PolarHBondContact O-N 3.26Å; C500-C511 WeakPolarHBondContact CA-SG 3.04Å; C500-C511 HydrophobicContact CB-CB 3.88Å; C500-C511 WeakPolarHBondContact CB-SG 3.23Å; C500-C511 WeakPolarHBondContact SG-CB 3.4Å; C500-C511 CovalentContact SG-SG 2.04Å; C500-C511 PolarHBondContact SG-SG 2.93Å
501	A	94.2	Very high	95	Very high	69 Å²	69	65.8 Å²	65.8	57%	0.57	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.1	-176.2	0	0	0	0	0	114.6	I496 H497	I496-A501 PolarHBondContact O-N 2.75Å; H497-A501 WeakPolarHBondContact O-CB 3.49Å
502	N	94	Very high	95	Very high	170 Å²	170	64.2 Å²	64.2	91%	0.909	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	9.2	-177.7	-63	-34.8	0	0	0	113.4	C500	C500-N502 PolarHBondContact O-N 2.95Å; C500-N502 VanDerWaalsContact O-N 3.09Å
503	V	94.2	Very high	94.8	Very high	53 Å²	53	67.7 Å²	67.7	32%	0.321	34%	0.342	S	S	.	.	S	Bend	trans	-107.9	134.1	-179.5	-177.5	0	0	0	0	108.8	C500 K505 H507 V508 C511	C500-V503 HydrophobicContact CB-CB 4.43Å; C500-V503 HydrophobicContact CB-CG2 4.44Å; C500-V503 WeakPolarHBondContact O-CB 3.26Å; C500-V503 PolarHBondContact O-N 3.26Å; V503-K505 PolarHBondContact O-N 2.81Å; V503-H507 HydrophobicContact CG1-CB 4.4Å; V503-V508 HydrophobicContact CG1-CG1 4.44Å; V503-C511 HydrophobicContact CG1-CB 4.42Å; V503-C511 HydrophobicContact CG2-CB 3.99Å
504	D	92.9	Very high	94.6	Very high	111 Å²	111	69.5 Å²	69.5	59%	0.594	35%	0.351	S	S	*	.			trans	-55.8	135.5	173.6	-67.8	-38.3	0	0	0	110.2	E506 H507	D504-E506 PolarHBondContact O-N 3.35Å; D504-E506 VanDerWaalsContact O-N 3.07Å; D504-H507 PolarHBondContact O-N 2.73Å
505	K	91.7	Very high	94.5	Very high	129 Å²	129	65.2 Å²	65.2	56%	0.561	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-59.2	-26.8	-174.6	-67	-168.4	178	-169.9	0	112.9	T483 V503 H507 V508	T483-K505 HydrophobicContact CG2-CB 3.65Å; V503-K505 PolarHBondContact O-N 2.81Å; K505-H507 PolarHBondContact O-N 3.21Å; K505-V508 WeakPolarHBondContact O-CG2 3.27Å
506	E	91.6	Very high	94	Very high	50 Å²	50	66.8 Å²	66.8	23%	0.234	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-60.4	-22.3	174.2	-68	81.2	175.7	0	0	113.4	R413 D481 N482 T483 D504	R413-E506 IonicContact CZ-OE1 3.64Å; R413-E506 IonicContact NH1-OE1 2.56Å; R413-E506 PolarHBondContact NH1-OE1 3.19Å; R413-E506 IonicContact NH2-OE1 3.52Å; R413-E506 PolarHBondContact NH2-OE1 3.2Å; D481-E506 WeakPolarHBondContact OD1-CG 3.32Å; N482-E506 VanDerWaalsContact CG-O 3.27Å; N482-E506 PolarHBondContact N-O 3.08Å; N482-E506 PolarHBondContact OD1-O 3.26Å; T483-E506 HydrophobicContact CG2-CG 4.29Å; D504-E506 PolarHBondContact O-N 3.35Å; D504-E506 VanDerWaalsContact O-N 3.07Å
507	H	93.4	Very high	93.3	Very high	106 Å²	106	72.9 Å²	72.9	49%	0.491	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-127.7	13.4	-170.7	-52.5	117.1	0	0	0	114.6	N482 V503 D504 K505 F509 R510	N482-H507 VanDerWaalsContact OD1-C 3.23Å; N482-H507 WeakPolarHBondContact OD1-CA 3.25Å; V503-H507 HydrophobicContact CG1-CB 4.4Å; D504-H507 PolarHBondContact O-N 2.73Å; K505-H507 PolarHBondContact O-N 3.21Å; H507-F509 PolarHBondContact O-N 3.15Å; H507-R510 PolarHBondContact O-N 3.46Å
508	V	95.6	Very high	93	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-27.5	-173.3	-70	0	0	0	0	113.9	N482 L488 I496 V503 K505 R510 C511 L512	N482-V508 HydrophobicContact CB-CG2 3.98Å; N482-V508 PolarHBondContact OD1-N 3.49Å; L488-V508 HydrophobicContact CD2-CG2 4.35Å; I496-V508 HydrophobicContact CD1-CG2 4.19Å; I496-V508 HydrophobicContact CG1-CB 4.42Å; I496-V508 HydrophobicContact CG1-CG2 4.44Å; I496-V508 HydrophobicContact CG2-CG1 4.11Å; V503-V508 HydrophobicContact CG1-CG1 4.44Å; K505-V508 WeakPolarHBondContact O-CG2 3.27Å; V508-R510 PolarHBondContact O-N 3.31Å; V508-C511 WeakPolarHBondContact O-CB 3.03Å; V508-C511 PolarHBondContact O-N 2.94Å; V508-L512 WeakPolarHBondContact O-CG 3.32Å; V508-L512 PolarHBondContact O-N 3.37Å
509	F	96.5	Very high	92.7	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.035	38%	0.377	C	S	.	.	H	α-helix	trans	-58.2	-36.5	179.4	179.4	-116.5	0	0	0	112	F479 N482 L488 H507 C511 L512 K513 I529 R532 Q533	F479-F509 HydrophobicContact CD1-CD1 4.5Å; F479-F509 HydrophobicContact CE1-CD1 4.07Å; F479-F509 AromaticContact CE1-CE1 3.85Å; F479-F509 HydrophobicContact CE1-CE1 3.85Å; N482-F509 WeakPolarHBondContact OD1-CB 2.96Å; N482-F509 PolarHBondContact OD1-N 2.88Å; L488-F509 HydrophobicContact CD1-CD2 4.4Å; L488-F509 HydrophobicContact CD2-CB 3.99Å; L488-F509 HydrophobicContact CD2-CD2 4.31Å; H507-F509 PolarHBondContact O-N 3.15Å; F509-C511 VanDerWaalsContact C-N 3.33Å; F509-C511 PolarHBondContact O-N 3.36Å; F509-L512 PolarHBondContact O-N 3.29Å; F509-K513 WeakPolarHBondContact O-CB 3.18Å; F509-K513 PolarHBondContact O-N 2.89Å; F509-I529 HydrophobicContact CE2-CG2 4.06Å; F509-R532 HydrophobicContact CD2-CB 4.11Å; F509-R532 HydrophobicContact CE1-CB 4.35Å; F509-R532 HydrophobicContact CE2-CB 3.35Å; F509-R532 HydrophobicContact CE2-CG 4.23Å; F509-R532 HydrophobicContact CZ-CB 3.49Å; F509-R532 VanDerWaalsContact CZ-CB 3.49Å; F509-Q533 HydrophobicContact CZ-CG 3.93Å
510	R	93.7	Very high	92.4	Very high	130 Å²	130	72 Å²	72	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-40.5	176.6	-174.6	179.4	-173.5	157.2	9.8	112	H507 V508 S514	H507-R510 PolarHBondContact O-N 3.46Å; V508-R510 PolarHBondContact O-N 3.31Å; R510-S514 PolarHBondContact O-N 3.32Å
511	C	95.7	Very high	92.3	Very high	16 Å²	16	72.9 Å²	72.9	11%	0.108	39%	0.391	C	S	.	.	H	α-helix	trans	-69.2	-47.6	177.6	171.8	0	0	0	0	111.2	C500 V503 V508 F509 K513 S514 H515	C500-C511 WeakPolarHBondContact CA-SG 3.04Å; C500-C511 HydrophobicContact CB-CB 3.88Å; C500-C511 WeakPolarHBondContact CB-SG 3.23Å; C500-C511 WeakPolarHBondContact SG-CB 3.4Å; C500-C511 CovalentContact SG-SG 2.04Å; C500-C511 PolarHBondContact SG-SG 2.93Å; V503-C511 HydrophobicContact CG1-CB 4.42Å; V503-C511 HydrophobicContact CG2-CB 3.99Å; V508-C511 WeakPolarHBondContact O-CB 3.03Å; V508-C511 PolarHBondContact O-N 2.94Å; F509-C511 VanDerWaalsContact C-N 3.33Å; F509-C511 PolarHBondContact O-N 3.36Å; C511-K513 VanDerWaalsContact C-N 3.25Å; C511-K513 PolarHBondContact O-N 2.85Å; C511-S514 PolarHBondContact O-N 3.35Å; C511-S514 PolarHBondContact O-OG 3.23Å; C511-H515 PolarHBondContact O-CD2 3.35Å; C511-H515 PolarHBondContact O-N 3.4Å
512	L	96.1	Very high	92.3	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-57.4	-40.8	176.7	-69.7	173.4	0	0	0	111.7	L488 C492 E495 I496 V508 F509 S514 H515 K516 I529	L488-L512 HydrophobicContact CD1-CD1 3.83Å; L488-L512 HydrophobicContact CD2-CD1 4.46Å; L488-L512 HydrophobicContact CG-CD1 4.22Å; C492-L512 HydrophobicContact CB-CD1 3.9Å; C492-L512 HydrophobicContact CB-CD2 4.46Å; E495-L512 HydrophobicContact CB-CD2 3.95Å; I496-L512 HydrophobicContact CD1-CD1 4.33Å; I496-L512 HydrophobicContact CG1-CD1 3.91Å; I496-L512 HydrophobicContact CG1-CD2 4.2Å; I496-L512 HydrophobicContact CG1-CG 4.37Å; V508-L512 WeakPolarHBondContact O-CG 3.32Å; V508-L512 PolarHBondContact O-N 3.37Å; F509-L512 PolarHBondContact O-N 3.29Å; L512-S514 VanDerWaalsContact C-N 3.31Å; L512-S514 PolarHBondContact O-N 2.68Å; L512-H515 CarbonylContact O-C 3.38Å; L512-H515 PolarHBondContact O-N 2.84Å; L512-H515 VanDerWaalsContact O-N 3.09Å; L512-K516 PolarHBondContact O-N 3.42Å; L512-K516 VanDerWaalsContact O-N 3.07Å; L512-I529 HydrophobicContact CB-CD1 3.82Å; L512-I529 HydrophobicContact CB-CG1 4.19Å
513	K	93.4	Very high	92.2	Very high	74 Å²	74	66.1 Å²	66.1	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-58.5	-37.8	175.4	-173.2	172.6	69.8	178.7	0	113.2	F509 C511 H515 Q533	F509-K513 WeakPolarHBondContact O-CB 3.18Å; F509-K513 PolarHBondContact O-N 2.89Å; C511-K513 VanDerWaalsContact C-N 3.25Å; C511-K513 PolarHBondContact O-N 2.85Å; K513-H515 VanDerWaalsContact C-N 3.27Å; K513-H515 PolarHBondContact O-N 2.8Å; K513-Q533 HydrophobicContact CD-CG 4.05Å; K513-Q533 HydrophobicContact CG-CG 4.4Å
514	S	91.4	Very high	92.3	Very high	89 Å²	89	69.6 Å²	69.6	62%	0.622	37%	0.374	S	S	*	.	H	α-helix	trans	-73.5	-18.4	178	52.1	0	0	0	0	114	R510 C511 L512	R510-S514 PolarHBondContact O-N 3.32Å; C511-S514 PolarHBondContact O-N 3.35Å; C511-S514 PolarHBondContact O-OG 3.23Å; L512-S514 VanDerWaalsContact C-N 3.31Å; L512-S514 PolarHBondContact O-N 2.68Å
515	H	92.4	Very high	92.4	Very high	44 Å²	44	64.3 Å²	64.3	20%	0.204	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	4.6	178.9	-64.8	-70.3	0	0	0	113.4	L499 C511 L512 K513 D517 E518	L499-H515 HydrophobicContact CD1-CB 3.94Å; C511-H515 PolarHBondContact O-CD2 3.35Å; C511-H515 PolarHBondContact O-N 3.4Å; L512-H515 CarbonylContact O-C 3.38Å; L512-H515 PolarHBondContact O-N 2.84Å; L512-H515 VanDerWaalsContact O-N 3.09Å; K513-H515 VanDerWaalsContact C-N 3.27Å; K513-H515 PolarHBondContact O-N 2.8Å; H515-D517 PolarHBondContact O-N 3.38Å; H515-D517 VanDerWaalsContact O-N 3.13Å; H515-E518 HydrophobicContact CB-CG 4.32Å; H515-E518 IonicContact CE1-OE1 3.68Å; H515-E518 IonicContact CG-OE1 2.71Å; H515-E518 VanDerWaalsContact ND1-CD 3.26Å; H515-E518 IonicContact ND1-OE1 3.63Å; H515-E518 PolarHBondContact ND1-OE1 3.29Å; H515-E518 IonicContact ND1-OE2 3.87Å; H515-E518 VanDerWaalsContact O-CB 3.32Å; H515-E518 WeakPolarHBondContact O-CB 3.4Å; H515-E518 PolarHBondContact O-N 2.83Å
516	K	87.1	Confident	92.6	Very high	38 Å²	38	59 Å²	59	17%	0.165	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.3	-173.5	175.6	179.1	140.7	177.6	0	114.2	L512 E518 I521 I529 D530	L512-K516 PolarHBondContact O-N 3.42Å; L512-K516 VanDerWaalsContact O-N 3.07Å; K516-E518 VanDerWaalsContact C-N 3.34Å; K516-I521 WeakPolarHBondContact O-CG2 3.48Å; K516-I529 HydrophobicContact CB-CG2 4.32Å; K516-I529 HydrophobicContact CD-CG2 3.81Å; K516-I529 HydrophobicContact CG-CG2 4.25Å; K516-D530 WeakPolarHBondContact CD-OD1 3.47Å; K516-D530 WeakPolarHBondContact CE-OD1 3.49Å; K516-D530 IonicContact NZ-OD1 2.65Å; K516-D530 PolarHBondContact NZ-OD1 2.94Å
517	D	82.8	Confident	92.7	Very high	145 Å²	145	63.9 Å²	63.9	78%	0.775	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.6	-178.2	-58.6	-42.1	0	0	0	112.8	H515	H515-D517 PolarHBondContact O-N 3.38Å; H515-D517 VanDerWaalsContact O-N 3.13Å
518	E	88.7	Confident	92.8	Very high	76 Å²	76	59 Å²	59	36%	0.355	32%	0.32	S	S	.	.	S	Bend	trans	-74.5	137.8	177.5	-68.3	-166.5	-172.5	0	0	111.6	H515 K516 S520 I521	H515-E518 HydrophobicContact CB-CG 4.32Å; H515-E518 IonicContact CE1-OE1 3.68Å; H515-E518 IonicContact CG-OE1 2.71Å; H515-E518 VanDerWaalsContact ND1-CD 3.26Å; H515-E518 IonicContact ND1-OE1 3.63Å; H515-E518 PolarHBondContact ND1-OE1 3.29Å; H515-E518 IonicContact ND1-OE2 3.87Å; H515-E518 VanDerWaalsContact O-CB 3.32Å; H515-E518 WeakPolarHBondContact O-CB 3.4Å; H515-E518 PolarHBondContact O-N 2.83Å; K516-E518 VanDerWaalsContact C-N 3.34Å; E518-S520 WeakPolarHBondContact CB-OG 3.29Å; E518-S520 PolarHBondContact O-N 2.88Å; E518-S520 PolarHBondContact OE2-OG 3.33Å; E518-I521 WeakPolarHBondContact O-CG2 3.4Å; E518-I521 PolarHBondContact O-N 3.38Å; E518-I521 VanDerWaalsContact O-N 3.12Å
519	P	89	Confident	92.8	Very high	137 Å²	137	59 Å²	59	89%	0.89	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.8	177.6	-23.4	33.1	0	0	0	115	I521	P519-I521 VanDerWaalsContact C-N 3.3Å
520	S	91	Very high	92.6	Very high	64 Å²	64	61.2 Å²	61.2	45%	0.448	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-17.9	179.3	54.3	0	0	0	0	113	E518	E518-S520 WeakPolarHBondContact CB-OG 3.29Å; E518-S520 PolarHBondContact O-N 2.88Å; E518-S520 PolarHBondContact OE2-OG 3.33Å
521	I	92.9	Very high	92.6	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.108	33%	0.331	C	S	.	.	S	Bend	trans	-78.9	133.6	-177.6	-143.3	174.3	0	0	0	110.7	E495 K516 E518 P519 C525 A526 I529	E495-I521 HydrophobicContact CG-CG1 3.88Å; K516-I521 WeakPolarHBondContact O-CG2 3.48Å; E518-I521 WeakPolarHBondContact O-CG2 3.4Å; E518-I521 PolarHBondContact O-N 3.38Å; E518-I521 VanDerWaalsContact O-N 3.12Å; P519-I521 VanDerWaalsContact C-N 3.3Å; I521-C525 HydrophobicContact CG1-CB 4.36Å; I521-A526 HydrophobicContact CG2-CB 3.94Å; I521-I529 HydrophobicContact CD1-CD1 3.35Å
522	S	94.3	Very high	92.6	Very high	42 Å²	42	59.2 Å²	59.2	29%	0.294	33%	0.326	S	S	.	.			trans	-67.5	148.5	173.4	63.3	0	0	0	0	111.7	E495 E524 C525 A526	E495-S522 WeakPolarHBondContact OE1-CB 2.98Å; E495-S522 PolarHBondContact OE1-N 2.03Å; E495-S522 PolarHBondContact OE1-OG 3.47Å; S522-E524 PolarHBondContact O-N 3.41Å; S522-C525 PolarHBondContact O-N 3.32Å; S522-C525 VanDerWaalsContact OG-CB 3.27Å; S522-C525 WeakPolarHBondContact OG-CB 3Å; S522-C525 PolarHBondContact OG-N 3.12Å; S522-A526 WeakPolarHBondContact O-CB 3.41Å; S522-A526 PolarHBondContact O-N 2.81Å
523	G	92.7	Very high	92.5	Very high	54 Å²	54	60.3 Å²	60.3	56%	0.557	33%	0.332	S	S	*	.	H	α-helix	trans	-64.8	-19.2	176.8	0	0	0	0	0	114	R527	G523-R527 VanDerWaalsContact O-CG 3.28Å; G523-R527 WeakPolarHBondContact O-CG 3.31Å; G523-R527 PolarHBondContact O-N 3.39Å; G523-R527 PolarHBondContact O-NE 3.26Å
524	E	95.1	Very high	92.4	Very high	126 Å²	126	60 Å²	60	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-76.4	-48.3	171.9	-62.1	-173	169.8	0	0	111.1	V491 S522 R527 L528	V491-E524 HydrophobicContact CG1-CB 3.91Å; S522-E524 PolarHBondContact O-N 3.41Å; E524-R527 PolarHBondContact O-N 3Å; E524-L528 PolarHBondContact O-N 2.87Å; E524-L528 VanDerWaalsContact O-N 3.1Å
525	C	96.3	Very high	92.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-42.4	176.7	-178.6	0	0	0	0	111.8	C492 E495 I521 S522 R527 L528 I529	C492-C525 HydrophobicContact CB-CB 4.04Å; C492-C525 WeakPolarHBondContact CB-SG 3.49Å; C492-C525 WeakPolarHBondContact SG-CA 3.18Å; C492-C525 WeakPolarHBondContact SG-CB 3.37Å; C492-C525 CovalentContact SG-SG 2.04Å; C492-C525 PolarHBondContact SG-SG 3.2Å; E495-C525 HydrophobicContact CG-CB 4.49Å; I521-C525 HydrophobicContact CG1-CB 4.36Å; S522-C525 PolarHBondContact O-N 3.32Å; S522-C525 VanDerWaalsContact OG-CB 3.27Å; S522-C525 WeakPolarHBondContact OG-CB 3Å; S522-C525 PolarHBondContact OG-N 3.12Å; C525-R527 PolarHBondContact O-N 3.25Å; C525-L528 PolarHBondContact O-N 2.81Å; C525-L528 VanDerWaalsContact O-N 3.16Å; C525-I529 VanDerWaalsContact O-CG1 3.29Å; C525-I529 WeakPolarHBondContact O-CG1 3.23Å; C525-I529 PolarHBondContact O-N 3.27Å
526	A	94.3	Very high	92.6	Very high	19 Å²	19	56.2 Å²	56.2	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-47.5	176.2	0	0	0	0	0	112.5	I521 S522 L528 I529 D530	I521-A526 HydrophobicContact CG2-CB 3.94Å; S522-A526 WeakPolarHBondContact O-CB 3.41Å; S522-A526 PolarHBondContact O-N 2.81Å; A526-L528 VanDerWaalsContact C-N 3.3Å; A526-L528 PolarHBondContact O-N 3.03Å; A526-I529 PolarHBondContact O-N 3.09Å; A526-D530 VanDerWaalsContact O-CG 3.27Å; A526-D530 PolarHBondContact O-N 3.4Å
527	R	93.7	Very high	92.8	Very high	151 Å²	151	55.1 Å²	55.1	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-37.4	177	-75.5	-175.3	-59.3	145.1	1.2	112.5	G523 E524 C525 D530 Q531	G523-R527 VanDerWaalsContact O-CG 3.28Å; G523-R527 WeakPolarHBondContact O-CG 3.31Å; G523-R527 PolarHBondContact O-N 3.39Å; G523-R527 PolarHBondContact O-NE 3.26Å; E524-R527 PolarHBondContact O-N 3Å; C525-R527 PolarHBondContact O-N 3.25Å; R527-D530 WeakPolarHBondContact O-CB 3.38Å; R527-D530 PolarHBondContact O-N 2.83Å; R527-Q531 WeakPolarHBondContact O-CG 3.29Å; R527-Q531 PolarHBondContact O-N 3.37Å
528	L	95.4	Very high	93.1	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-68.2	-40.4	176.8	-175	58.9	0	0	0	111.1	M487 L488 V491 E524 C525 A526 D530 Q531 R532	M487-L528 HydrophobicContact CG-CD1 4.14Å; M487-L528 HydrophobicContact CG-CD2 4.02Å; L488-L528 HydrophobicContact CB-CD2 4.33Å; L488-L528 HydrophobicContact CD1-CD2 4.25Å; L488-L528 HydrophobicContact CD1-CG 4.42Å; V491-L528 HydrophobicContact CB-CD2 3.75Å; V491-L528 HydrophobicContact CG1-CD2 4.11Å; V491-L528 HydrophobicContact CG2-CD2 4.14Å; E524-L528 PolarHBondContact O-N 2.87Å; E524-L528 VanDerWaalsContact O-N 3.1Å; C525-L528 PolarHBondContact O-N 2.81Å; C525-L528 VanDerWaalsContact O-N 3.16Å; A526-L528 VanDerWaalsContact C-N 3.3Å; A526-L528 PolarHBondContact O-N 3.03Å; L528-D530 VanDerWaalsContact C-N 3.29Å; L528-D530 PolarHBondContact O-N 3.45Å; L528-Q531 PolarHBondContact O-N 3.08Å; L528-R532 WeakPolarHBondContact O-CG 3.49Å; L528-R532 PolarHBondContact O-N 3.49Å
529	I	95.5	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-42.5	173.6	-65.2	160.9	0	0	0	110.1	F509 L512 K516 I521 C525 A526 Q531 R532 Q533	F509-I529 HydrophobicContact CE2-CG2 4.06Å; L512-I529 HydrophobicContact CB-CD1 3.82Å; L512-I529 HydrophobicContact CB-CG1 4.19Å; K516-I529 HydrophobicContact CB-CG2 4.32Å; K516-I529 HydrophobicContact CD-CG2 3.81Å; K516-I529 HydrophobicContact CG-CG2 4.25Å; I521-I529 HydrophobicContact CD1-CD1 3.35Å; C525-I529 VanDerWaalsContact O-CG1 3.29Å; C525-I529 WeakPolarHBondContact O-CG1 3.23Å; C525-I529 PolarHBondContact O-N 3.27Å; A526-I529 PolarHBondContact O-N 3.09Å; I529-Q531 PolarHBondContact O-N 3.03Å; I529-R532 PolarHBondContact O-N 3.24Å; I529-Q533 HydrophobicContact CG2-CG 4.31Å; I529-Q533 WeakPolarHBondContact O-CB 3.41Å; I529-Q533 VanDerWaalsContact O-CG 3.31Å; I529-Q533 WeakPolarHBondContact O-CG 3.39Å; I529-Q533 PolarHBondContact O-N 3.03Å
530	D	92.3	Very high	93.3	Very high	56 Å²	56	39.2 Å²	39.2	30%	0.299	21%	0.213	S	C	.	.	H	α-helix	trans	-57.2	-49.3	175.4	-63.4	-17.8	0	0	0	111.8	K516 A526 R527 L528 R532 Q533 H534	K516-D530 WeakPolarHBondContact CD-OD1 3.47Å; K516-D530 WeakPolarHBondContact CE-OD1 3.49Å; K516-D530 IonicContact NZ-OD1 2.65Å; K516-D530 PolarHBondContact NZ-OD1 2.94Å; A526-D530 VanDerWaalsContact O-CG 3.27Å; A526-D530 PolarHBondContact O-N 3.4Å; R527-D530 WeakPolarHBondContact O-CB 3.38Å; R527-D530 PolarHBondContact O-N 2.83Å; L528-D530 VanDerWaalsContact C-N 3.29Å; L528-D530 PolarHBondContact O-N 3.45Å; D530-R532 PolarHBondContact O-N 3.12Å; D530-Q533 WeakPolarHBondContact O-CB 3.48Å; D530-Q533 PolarHBondContact O-N 3.49Å; D530-H534 PolarHBondContact O-CD2 2.8Å; D530-H534 VanDerWaalsContact O-CD2 3.26Å; D530-H534 PolarHBondContact O-N 2.04Å
531	Q	93.9	Very high	93.3	Very high	102 Å²	102	36.6 Å²	36.6	48%	0.477	19%	0.194	S	C	.	.	H	α-helix	trans	-58.1	-49.1	178.4	-72.3	172	-16.6	0	0	111.2	R527 L528 I529 Q533 H534 E535	R527-Q531 WeakPolarHBondContact O-CG 3.29Å; R527-Q531 PolarHBondContact O-N 3.37Å; L528-Q531 PolarHBondContact O-N 3.08Å; I529-Q531 PolarHBondContact O-N 3.03Å; Q531-Q533 VanDerWaalsContact C-N 3.32Å; Q531-Q533 PolarHBondContact O-N 3.16Å; Q531-H534 WeakPolarHBondContact O-CB 3.32Å; Q531-H534 PolarHBondContact O-N 3.33Å; Q531-H534 VanDerWaalsContact O-N 3.15Å; Q531-E535 WeakPolarHBondContact O-CG 3.41Å; Q531-E535 PolarHBondContact O-N 3.39Å
532	R	96.3	Very high	93.3	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-32.6	176.7	-62.6	-47	-175.7	-119	-1.4	113	E454 F479 D485 F509 L528 I529 D530 H534 E535 Q536	E454-R532 IonicContact OE1-CZ 2.68Å; E454-R532 IonicContact OE1-NH1 3.41Å; E454-R532 IonicContact OE1-NH2 3.11Å; E454-R532 PolarHBondContact OE1-NH2 3.35Å; E454-R532 IonicContact OE2-CZ 3.95Å; E454-R532 IonicContact OE2-NH1 2.77Å; E454-R532 PolarHBondContact OE2-NH1 2.94Å; E454-R532 IonicContact OE2-NH2 3.35Å; E454-R532 PolarHBondContact OE2-NH2 3.41Å; F479-R532 HydrophobicContact CE1-CB 4.49Å; F479-R532 HydrophobicContact CZ-CB 4.1Å; F479-R532 VanDerWaalsContact CZ-O 3.23Å; F479-R532 WeakPolarHBondContact CZ-O 3.37Å; D485-R532 IonicContact OD1-CZ 3.31Å; D485-R532 IonicContact OD1-NE 2.75Å; D485-R532 IonicContact OD1-NH2 3.79Å; D485-R532 PolarHBondContact OD1-NH2 2.98Å; D485-R532 VanDerWaalsContact OD1-NH2 3.11Å; D485-R532 IonicContact OD2-CZ 3.57Å; D485-R532 IonicContact OD2-NE 3.92Å; D485-R532 PolarHBondContact OD2-NE 2.73Å; D485-R532 IonicContact OD2-NH2 2.68Å; F509-R532 HydrophobicContact CD2-CB 4.11Å; F509-R532 HydrophobicContact CE1-CB 4.35Å; F509-R532 HydrophobicContact CE2-CB 3.35Å; F509-R532 HydrophobicContact CE2-CG 4.23Å; F509-R532 HydrophobicContact CZ-CB 3.49Å; F509-R532 VanDerWaalsContact CZ-CB 3.49Å; L528-R532 WeakPolarHBondContact O-CG 3.49Å; L528-R532 PolarHBondContact O-N 3.49Å; I529-R532 PolarHBondContact O-N 3.24Å; D530-R532 PolarHBondContact O-N 3.12Å; R532-H534 VanDerWaalsContact C-N 3.35Å; R532-E535 WeakPolarHBondContact CD-OE2 3.49Å; R532-E535 IonicContact CZ-OE1 3.31Å; R532-E535 IonicContact CZ-OE2 3.18Å; R532-E535 IonicContact NE-OE2 3.42Å; R532-E535 IonicContact NH1-OE1 3.73Å; R532-E535 PolarHBondContact NH1-OE1 2.92Å; R532-E535 IonicContact NH1-OE2 2.72Å; R532-E535 PolarHBondContact O-N 3.09Å; R532-Q536 WeakPolarHBondContact O-CB 3.15Å; R532-Q536 PolarHBondContact O-N 3.49Å
533	Q	94	Very high	93.2	Very high	23 Å²	23	34.3 Å²	34.3	11%	0.107	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-40.8	173.2	-75.7	-172.4	-90.1	0	0	111.5	F509 K513 I529 D530 Q531 A537 L614	F509-Q533 HydrophobicContact CZ-CG 3.93Å; K513-Q533 HydrophobicContact CD-CG 4.05Å; K513-Q533 HydrophobicContact CG-CG 4.4Å; I529-Q533 HydrophobicContact CG2-CG 4.31Å; I529-Q533 WeakPolarHBondContact O-CB 3.41Å; I529-Q533 VanDerWaalsContact O-CG 3.31Å; I529-Q533 WeakPolarHBondContact O-CG 3.39Å; I529-Q533 PolarHBondContact O-N 3.03Å; D530-Q533 WeakPolarHBondContact O-CB 3.48Å; D530-Q533 PolarHBondContact O-N 3.49Å; Q531-Q533 VanDerWaalsContact C-N 3.32Å; Q531-Q533 PolarHBondContact O-N 3.16Å; Q533-A537 WeakPolarHBondContact O-CB 3.44Å; Q533-A537 PolarHBondContact O-N 3.06Å; Q533-L614 HydrophobicContact CB-CD1 4.48Å; Q533-L614 HydrophobicContact CB-CD2 3.95Å
534	H	91.9	Very high	93.1	Very high	68 Å²	68	33.1 Å²	33.1	32%	0.315	16%	0.161	S	C	.	.	H	α-helix	trans	-65.3	-43.7	174.8	-82.3	-72.3	0	0	0	112.7	D530 Q531 R532 A537 S538 T613	D530-H534 PolarHBondContact O-CD2 2.8Å; D530-H534 VanDerWaalsContact O-CD2 3.26Å; D530-H534 PolarHBondContact O-N 2.04Å; Q531-H534 WeakPolarHBondContact O-CB 3.32Å; Q531-H534 PolarHBondContact O-N 3.33Å; Q531-H534 VanDerWaalsContact O-N 3.15Å; R532-H534 VanDerWaalsContact C-N 3.35Å; H534-A537 PolarHBondContact O-N 3.23Å; H534-S538 PolarHBondContact O-N 2.59Å; H534-T613 PolarHBondContact CE1-OG1 2.68Å
535	E	93.1	Very high	92.9	Very high	24 Å²	24	30.2 Å²	30.2	11%	0.112	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-50.6	174.5	-68.7	165.4	-154.9	0	0	110.7	F479 Q531 R532 A537 S538 L542	F479-E535 HydrophobicContact CE2-CB 3.82Å; F479-E535 HydrophobicContact CZ-CB 3.9Å; Q531-E535 WeakPolarHBondContact O-CG 3.41Å; Q531-E535 PolarHBondContact O-N 3.39Å; R532-E535 WeakPolarHBondContact CD-OE2 3.49Å; R532-E535 IonicContact CZ-OE1 3.31Å; R532-E535 IonicContact CZ-OE2 3.18Å; R532-E535 IonicContact NE-OE2 3.42Å; R532-E535 IonicContact NH1-OE1 3.73Å; R532-E535 PolarHBondContact NH1-OE1 2.92Å; R532-E535 IonicContact NH1-OE2 2.72Å; R532-E535 PolarHBondContact O-N 3.09Å; E535-A537 PolarHBondContact O-N 3.37Å; E535-S538 WeakPolarHBondContact O-CB 2.98Å; E535-S538 PolarHBondContact O-N 2.87Å; E535-S538 PolarHBondContact O-OG 3.28Å; E535-L542 WeakPolarHBondContact O-CD1 3.05Å
536	Q	93.8	Very high	92.8	Very high	29 Å²	29	30.3 Å²	30.3	14%	0.136	15%	0.152	C	C	.	.	H	α-helix	trans	-54.4	-38.2	176.6	177.3	161.6	87.3	0	0	112.8	F479 R532 S538 L542 Q543	F479-Q536 HydrophobicContact CD1-CB 4.31Å; F479-Q536 HydrophobicContact CE1-CB 3.62Å; F479-Q536 HydrophobicContact CE1-CG 4.32Å; F479-Q536 HydrophobicContact CZ-CB 3.93Å; R532-Q536 WeakPolarHBondContact O-CB 3.15Å; R532-Q536 PolarHBondContact O-N 3.49Å; Q536-S538 VanDerWaalsContact C-N 3.28Å; Q536-S538 PolarHBondContact O-N 3.1Å; Q536-L542 PolarHBondContact NE2-O 2.03Å; Q536-Q543 HydrophobicContact CG-CG 3.4Å; Q536-Q543 VanDerWaalsContact CG-CG 3.4Å; Q536-Q543 WeakPolarHBondContact O-CG 3.2Å; Q536-Q543 PolarHBondContact O-NE2 3.39Å; Q536-Q543 VanDerWaalsContact O-NE2 3.15Å
537	A	91.9	Very high	92.6	Very high	16 Å²	16	29.6 Å²	29.6	13%	0.132	15%	0.145	C	C	.	.	H	α-helix	trans	-72.8	-19	-178.6	0	0	0	0	0	113.7	Q533 H534 E535 D539 L614 I616	Q533-A537 WeakPolarHBondContact O-CB 3.44Å; Q533-A537 PolarHBondContact O-N 3.06Å; H534-A537 PolarHBondContact O-N 3.23Å; E535-A537 PolarHBondContact O-N 3.37Å; A537-D539 PolarHBondContact O-N 3Å; A537-L614 HydrophobicContact CB-CB 4.2Å; A537-L614 HydrophobicContact CB-CD2 4.43Å; A537-L614 WeakPolarHBondContact CB-O 3.47Å; A537-I616 HydrophobicContact CB-CG1 4.37Å
538	S	89.4	Confident	92.4	Very high	19 Å²	19	25.9 Å²	25.9	13%	0.133	14%	0.139	C	C	.	.	H	α-helix	trans	-70.8	-29	-175.8	72.1	0	0	0	0	114.3	H534 E535 Q536 G575	H534-S538 PolarHBondContact O-N 2.59Å; E535-S538 WeakPolarHBondContact O-CB 2.98Å; E535-S538 PolarHBondContact O-N 2.87Å; E535-S538 PolarHBondContact O-OG 3.28Å; Q536-S538 VanDerWaalsContact C-N 3.28Å; Q536-S538 PolarHBondContact O-N 3.1Å; S538-G575 PolarHBondContact O-N 3.27Å
539	D	91.1	Very high	92.2	Very high	3 Å²	3	26 Å²	26	2%	0.016	14%	0.141	C	C	.	.			trans	-150.9	145.1	-177.1	-163.1	-78.5	0	0	0	112.4	F472 A537 R541 L542 A573	F472-D539 HydrophobicContact CE2-CB 3.8Å; F472-D539 HydrophobicContact CZ-CB 4.02Å; A537-D539 PolarHBondContact O-N 3Å; D539-R541 PolarHBondContact O-N 3.41Å; D539-R541 VanDerWaalsContact OD1-CB 3.3Å; D539-R541 WeakPolarHBondContact OD1-CB 3.46Å; D539-R541 IonicContact OD1-CZ 3.39Å; D539-R541 PolarHBondContact OD1-N 3.28Å; D539-R541 IonicContact OD1-NE 3.62Å; D539-R541 PolarHBondContact OD1-NE 3.5Å; D539-R541 IonicContact OD1-NH2 2.82Å; D539-R541 PolarHBondContact OD1-NH2 3.23Å; D539-R541 IonicContact OD2-CZ 2.68Å; D539-R541 IonicContact OD2-NE 3.42Å; D539-R541 IonicContact OD2-NH2 3.61Å; D539-R541 PolarHBondContact OD2-NH2 2.88Å; D539-L542 HydrophobicContact CB-CD1 4.41Å; D539-L542 HydrophobicContact CB-CG 4.24Å; D539-L542 PolarHBondContact O-N 2.9Å; D539-L542 VanDerWaalsContact O-N 3.15Å; D539-A573 WeakPolarHBondContact OD2-CB 3.44Å; D539-A573 PolarHBondContact OD2-N 3.46Å
540	V	90.7	Very high	92.1	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-62.8	-30	178.6	73	0	0	0	0	112.5	L542 Q543 L546 F547 I554 L565 V577 L581	V540-L542 PolarHBondContact O-N 3.45Å; V540-Q543 WeakPolarHBondContact O-CB 3.35Å; V540-Q543 PolarHBondContact O-N 2.9Å; V540-Q543 VanDerWaalsContact O-N 3.07Å; V540-L546 HydrophobicContact CG2-CD2 3.33Å; V540-F547 HydrophobicContact CB-CD2 4.48Å; V540-F547 HydrophobicContact CG1-CD2 3.84Å; V540-F547 HydrophobicContact CG1-CE2 4.09Å; V540-F547 HydrophobicContact CG2-CD2 4.1Å; V540-I554 HydrophobicContact CG2-CD1 4.29Å; V540-L565 HydrophobicContact CG1-CD1 4.29Å; V540-V577 HydrophobicContact CB-CB 4.22Å; V540-V577 HydrophobicContact CB-CG1 4.3Å; V540-V577 HydrophobicContact CG1-CB 3.73Å; V540-V577 HydrophobicContact CG1-CG1 3.85Å; V540-V577 HydrophobicContact CG1-CG2 4.15Å; V540-V577 HydrophobicContact CG2-CG1 4.25Å; V540-L581 HydrophobicContact CG2-CD1 4.49Å
541	R	89.8	Confident	92	Very high	9 Å²	9	24.7 Å²	24.7	3%	0.034	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-70.4	-20.4	178.9	-69	166.7	-71.8	-174.5	-2.7	112.2	M397 F472 K476 D539 Q543 F547 L565 P569 D571	M397-R541 HydrophobicContact CE-CB 4.38Å; M397-R541 WeakPolarHBondContact CE-O 3.36Å; M397-R541 HydrophobicContact SD-CB 4.26Å; F472-R541 HydrophobicContact CZ-CB 4.37Å; F472-R541 VanDerWaalsContact CZ-CZ 3.49Å; K476-R541 HydrophobicContact CD-CB 4.49Å; D539-R541 PolarHBondContact O-N 3.41Å; D539-R541 VanDerWaalsContact OD1-CB 3.3Å; D539-R541 WeakPolarHBondContact OD1-CB 3.46Å; D539-R541 IonicContact OD1-CZ 3.39Å; D539-R541 PolarHBondContact OD1-N 3.28Å; D539-R541 IonicContact OD1-NE 3.62Å; D539-R541 PolarHBondContact OD1-NE 3.5Å; D539-R541 IonicContact OD1-NH2 2.82Å; D539-R541 PolarHBondContact OD1-NH2 3.23Å; D539-R541 IonicContact OD2-CZ 2.68Å; D539-R541 IonicContact OD2-NE 3.42Å; D539-R541 IonicContact OD2-NH2 3.61Å; D539-R541 PolarHBondContact OD2-NH2 2.88Å; R541-Q543 PolarHBondContact O-N 3.23Å; R541-F547 HydrophobicContact CG-CD2 4.3Å; R541-F547 HydrophobicContact CG-CE2 4Å; R541-F547 HydrophobicContact CG-CZ 4.46Å; R541-L565 HydrophobicContact CG-CD1 4.04Å; R541-P569 PolarHBondContact NH1-O 2.91Å; R541-D571 PolarHBondContact NH1-O 3.38Å; R541-D571 PolarHBondContact NH2-O 3.35Å
542	L	93.2	Very high	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-84.1	5.2	173.3	-53.7	-178.1	0	0	0	112.1	F472 E475 K476 F479 E535 Q536 D539 V540 P544	F472-L542 HydrophobicContact CD2-CD1 4.37Å; F472-L542 HydrophobicContact CE2-CD1 3.91Å; F472-L542 HydrophobicContact CE2-CD2 3.96Å; F472-L542 HydrophobicContact CE2-CG 3.91Å; E475-L542 HydrophobicContact CB-CD1 4.29Å; E475-L542 HydrophobicContact CB-CD2 3.84Å; K476-L542 HydrophobicContact CB-CD2 4.38Å; K476-L542 HydrophobicContact CG-CD2 3.83Å; F479-L542 HydrophobicContact CB-CB 4.47Å; F479-L542 WeakPolarHBondContact CD1-O 3.45Å; F479-L542 HydrophobicContact CD2-CB 3.96Å; F479-L542 HydrophobicContact CD2-CD1 4.45Å; F479-L542 HydrophobicContact CD2-CD2 3.96Å; F479-L542 HydrophobicContact CD2-CG 4.32Å; F479-L542 HydrophobicContact CE2-CB 4.45Å; F479-L542 HydrophobicContact CG-CB 4.1Å; F479-L542 WeakPolarHBondContact CG-O 3.48Å; E535-L542 WeakPolarHBondContact O-CD1 3.05Å; Q536-L542 PolarHBondContact NE2-O 2.03Å; D539-L542 HydrophobicContact CB-CD1 4.41Å; D539-L542 HydrophobicContact CB-CG 4.24Å; D539-L542 PolarHBondContact O-N 2.9Å; D539-L542 VanDerWaalsContact O-N 3.15Å; V540-L542 PolarHBondContact O-N 3.45Å; L542-P544 WeakPolarHBondContact O-CD 3.4Å
543	Q	93	Very high	91.6	Very high	15 Å²	15	25.1 Å²	25.1	7%	0.07	14%	0.141	C	C	.	.			trans	-120.3	71.4	176	-64.7	172.6	68.5	0	0	109.9	Q536 V540 R541 V545 L546 F547	Q536-Q543 HydrophobicContact CG-CG 3.4Å; Q536-Q543 VanDerWaalsContact CG-CG 3.4Å; Q536-Q543 WeakPolarHBondContact O-CG 3.2Å; Q536-Q543 PolarHBondContact O-NE2 3.39Å; Q536-Q543 VanDerWaalsContact O-NE2 3.15Å; V540-Q543 WeakPolarHBondContact O-CB 3.35Å; V540-Q543 PolarHBondContact O-N 2.9Å; V540-Q543 VanDerWaalsContact O-N 3.07Å; R541-Q543 PolarHBondContact O-N 3.23Å; Q543-V545 VanDerWaalsContact C-N 3.3Å; Q543-V545 PolarHBondContact O-N 3.1Å; Q543-L546 HydrophobicContact CB-CB 4.03Å; Q543-L546 PolarHBondContact O-N 3.24Å; Q543-L546 VanDerWaalsContact O-N 3.09Å; Q543-F547 WeakPolarHBondContact O-CB 3.47Å; Q543-F547 PolarHBondContact O-N 3.3Å
544	P	90.4	Very high	91.4	Very high	30 Å²	30	24.1 Å²	24.1	20%	0.195	14%	0.137	C	C	.	.	H	α-helix	trans	-55.8	-41.4	-170.3	21.1	-34.1	0	0	0	113.2	F479 V480 L542 L546 F547 T548	F479-P544 WeakPolarHBondContact O-CG 2.91Å; V480-P544 HydrophobicContact CG2-CB 4.44Å; L542-P544 WeakPolarHBondContact O-CD 3.4Å; P544-L546 PolarHBondContact O-N 3.16Å; P544-F547 PolarHBondContact O-N 3.31Å; P544-T548 WeakPolarHBondContact O-CB 3.45Å; P544-T548 PolarHBondContact O-N 3.39Å; P544-T548 PolarHBondContact O-OG1 3.3Å
545	V	90.8	Very high	91.3	Very high	64 Å²	64	25.4 Å²	25.4	39%	0.388	14%	0.139	S	C	.	.	H	α-helix	trans	-61.1	-46.7	178.6	-177.2	0	0	0	0	111.7	Q543 A549 E600	Q543-V545 VanDerWaalsContact C-N 3.3Å; Q543-V545 PolarHBondContact O-N 3.1Å; V545-A549 WeakPolarHBondContact O-CB 3.28Å; V545-A549 PolarHBondContact O-N 3.33Å; V545-E600 HydrophobicContact CG1-CG 4.43Å
546	L	93.3	Very high	91.2	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-66.8	-45.5	177.6	-179.9	156.6	0	0	0	110.5	V540 Q543 P544 T548 A549 C550 L578 L581 E600 V601 V604	V540-L546 HydrophobicContact CG2-CD2 3.33Å; Q543-L546 HydrophobicContact CB-CB 4.03Å; Q543-L546 PolarHBondContact O-N 3.24Å; Q543-L546 VanDerWaalsContact O-N 3.09Å; P544-L546 PolarHBondContact O-N 3.16Å; L546-T548 PolarHBondContact O-N 3.01Å; L546-A549 PolarHBondContact O-N 3.06Å; L546-C550 HydrophobicContact CD2-CB 4.38Å; L546-C550 WeakPolarHBondContact O-CB 3.24Å; L546-C550 PolarHBondContact O-N 3.36Å; L546-C550 PolarHBondContact O-SG 2.69Å; L546-C550 VanDerWaalsContact O-SG 3.39Å; L546-L578 HydrophobicContact CD1-CD1 4.16Å; L546-L581 HydrophobicContact CD2-CD1 4.03Å; L546-E600 HydrophobicContact CB-CB 3.97Å; L546-E600 HydrophobicContact CD1-CB 4.27Å; L546-E600 HydrophobicContact CG-CB 3.97Å; L546-V601 HydrophobicContact CD1-CG2 4.37Å; L546-V604 HydrophobicContact CD1-CB 4.45Å; L546-V604 HydrophobicContact CD1-CG2 3.44Å; L546-V604 VanDerWaalsContact CD1-CG2 3.44Å
547	F	90.6	Very high	91.1	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-46.1	-178.4	-170.2	-95.7	0	0	0	111.7	M397 L398 V540 R541 Q543 P544 C550 S551 I554 L565	M397-F547 HydrophobicContact CB-CD1 4.24Å; M397-F547 HydrophobicContact CB-CE1 4.31Å; M397-F547 WeakPolarHBondContact O-CD1 3.43Å; L398-F547 HydrophobicContact CD2-CE1 3.48Å; L398-F547 VanDerWaalsContact CD2-CE1 3.48Å; L398-F547 HydrophobicContact CD2-CZ 3.77Å; L398-F547 HydrophobicContact CG-CE1 4.14Å; V540-F547 HydrophobicContact CB-CD2 4.48Å; V540-F547 HydrophobicContact CG1-CD2 3.84Å; V540-F547 HydrophobicContact CG1-CE2 4.09Å; V540-F547 HydrophobicContact CG2-CD2 4.1Å; R541-F547 HydrophobicContact CG-CD2 4.3Å; R541-F547 HydrophobicContact CG-CE2 4Å; R541-F547 HydrophobicContact CG-CZ 4.46Å; Q543-F547 WeakPolarHBondContact O-CB 3.47Å; Q543-F547 PolarHBondContact O-N 3.3Å; P544-F547 PolarHBondContact O-N 3.31Å; F547-C550 PolarHBondContact O-N 3.43Å; F547-S551 WeakPolarHBondContact O-CA 3.43Å; F547-S551 WeakPolarHBondContact O-CB 3.22Å; F547-S551 PolarHBondContact O-N 3.24Å; F547-I554 HydrophobicContact CD2-CD1 3.76Å; F547-I554 HydrophobicContact CE2-CD1 3.93Å; F547-L565 HydrophobicContact CE2-CD1 4.35Å
548	T	89.9	Confident	91.1	Very high	72 Å²	72	29.9 Å²	29.9	44%	0.442	15%	0.152	S	C	.	.	H	α-helix	trans	-62.8	-48.1	174.8	-57.3	0	0	0	0	111.2	P544 L546 C550 S551	P544-T548 WeakPolarHBondContact O-CB 3.45Å; P544-T548 PolarHBondContact O-N 3.39Å; P544-T548 PolarHBondContact O-OG1 3.3Å; L546-T548 PolarHBondContact O-N 3.01Å; T548-C550 VanDerWaalsContact C-N 3.26Å; T548-C550 PolarHBondContact O-N 3.33Å; T548-S551 PolarHBondContact O-N 3.16Å; T548-S551 PolarHBondContact O-OG 3.42Å
549	A	92.1	Very high	91.1	Very high	7 Å²	7	35.1 Å²	35.1	6%	0.058	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-33.2	179.1	0	0	0	0	0	113.7	V545 L546 Q596 E600	V545-A549 WeakPolarHBondContact O-CB 3.28Å; V545-A549 PolarHBondContact O-N 3.33Å; L546-A549 PolarHBondContact O-N 3.06Å; A549-Q596 HydrophobicContact CB-CG 3.77Å; A549-E600 HydrophobicContact CB-CB 4.48Å; A549-E600 HydrophobicContact CB-CG 3.72Å
550	C	93	Very high	91.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	5.2	-175.3	-65.6	0	0	0	0	114.1	L546 F547 T548 N552 E553 I554 L581 C597	L546-C550 HydrophobicContact CD2-CB 4.38Å; L546-C550 WeakPolarHBondContact O-CB 3.24Å; L546-C550 PolarHBondContact O-N 3.36Å; L546-C550 PolarHBondContact O-SG 2.69Å; L546-C550 VanDerWaalsContact O-SG 3.39Å; F547-C550 PolarHBondContact O-N 3.43Å; T548-C550 VanDerWaalsContact C-N 3.26Å; T548-C550 PolarHBondContact O-N 3.33Å; C550-N552 PolarHBondContact O-N 3.02Å; C550-N552 VanDerWaalsContact O-N 3.14Å; C550-E553 WeakPolarHBondContact CA-OE2 3.29Å; C550-E553 PolarHBondContact O-N 3.04Å; C550-I554 HydrophobicContact CB-CD1 4.01Å; C550-I554 HydrophobicContact CB-CG1 4.14Å; C550-I554 VanDerWaalsContact O-CG1 3.28Å; C550-I554 WeakPolarHBondContact O-CG1 3.25Å; C550-I554 PolarHBondContact O-N 2.96Å; C550-L581 HydrophobicContact CB-CD1 4.06Å; C550-L581 HydrophobicContact CB-CD2 4.43Å; C550-C597 WeakPolarHBondContact CA-SG 2.97Å; C550-C597 HydrophobicContact CB-CB 3.92Å; C550-C597 WeakPolarHBondContact CB-SG 3.26Å; C550-C597 WeakPolarHBondContact SG-CA 3.41Å; C550-C597 WeakPolarHBondContact SG-CB 2.96Å; C550-C597 CovalentContact SG-SG 2.02Å; C550-C597 PolarHBondContact SG-SG 3.12Å
551	S	89.4	Confident	91.1	Very high	29 Å²	29	44.4 Å²	44.4	20%	0.203	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-35.6	-170.1	57.6	0	0	0	0	113.6	F547 T548 R555	F547-S551 WeakPolarHBondContact O-CA 3.43Å; F547-S551 WeakPolarHBondContact O-CB 3.22Å; F547-S551 PolarHBondContact O-N 3.24Å; T548-S551 PolarHBondContact O-N 3.16Å; T548-S551 PolarHBondContact O-OG 3.42Å; S551-R555 VanDerWaalsContact O-CG 3.32Å; S551-R555 WeakPolarHBondContact O-CG 3.39Å; S551-R555 PolarHBondContact O-N 3.33Å; S551-R555 PolarHBondContact O-NE 3.09Å
552	N	89.1	Confident	90.9	Very high	100 Å²	100	46.2 Å²	46.2	54%	0.535	23%	0.225	S	C	.	.	H	α-helix	trans	-73.6	-40.5	177.6	-70.7	-27.1	0	0	0	112.2	C550 R555 R556	C550-N552 PolarHBondContact O-N 3.02Å; C550-N552 VanDerWaalsContact O-N 3.14Å; N552-R555 PolarHBondContact O-N 2.84Å; N552-R555 PolarHBondContact OD1-NH2 3.18Å; N552-R556 VanDerWaalsContact O-CB 3.3Å; N552-R556 WeakPolarHBondContact O-CB 3.42Å; N552-R556 PolarHBondContact O-N 2.69Å
553	E	92.2	Very high	90.6	Very high	11 Å²	11	49.6 Å²	49.6	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-73	-36.5	178.9	-64.7	92.6	164.4	0	0	112.3	C550 R555 R556 L557 C558 L581 I593 S594	C550-E553 WeakPolarHBondContact CA-OE2 3.29Å; C550-E553 PolarHBondContact O-N 3.04Å; E553-R555 VanDerWaalsContact C-N 3.29Å; E553-R555 PolarHBondContact O-N 3.3Å; E553-R556 PolarHBondContact O-N 2.84Å; E553-L557 HydrophobicContact CB-CD1 4.03Å; E553-L557 HydrophobicContact CB-CG 4.35Å; E553-L557 HydrophobicContact CG-CD1 4.09Å; E553-L557 WeakPolarHBondContact O-CA 3.49Å; E553-L557 VanDerWaalsContact O-CB 3.27Å; E553-L557 WeakPolarHBondContact O-CB 3.2Å; E553-L557 PolarHBondContact O-N 2.92Å; E553-C558 PolarHBondContact O-N 3.46Å; E553-L581 HydrophobicContact CB-CD2 4.32Å; E553-I593 HydrophobicContact CB-CG1 4.42Å; E553-I593 HydrophobicContact CG-CG1 3.94Å; E553-S594 WeakPolarHBondContact OE1-CB 3.01Å; E553-S594 PolarHBondContact OE1-N 2.85Å; E553-S594 PolarHBondContact OE1-OG 3.05Å
554	I	90.7	Very high	90.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-47.8	171.1	-67.5	168.5	0	0	0	109.4	V540 F547 C550 C558 Y562 V577 L581	V540-I554 HydrophobicContact CG2-CD1 4.29Å; F547-I554 HydrophobicContact CD2-CD1 3.76Å; F547-I554 HydrophobicContact CE2-CD1 3.93Å; C550-I554 HydrophobicContact CB-CD1 4.01Å; C550-I554 HydrophobicContact CB-CG1 4.14Å; C550-I554 VanDerWaalsContact O-CG1 3.28Å; C550-I554 WeakPolarHBondContact O-CG1 3.25Å; C550-I554 PolarHBondContact O-N 2.96Å; I554-C558 CarbonylContact O-C 3.28Å; I554-C558 WeakPolarHBondContact O-CB 3.49Å; I554-C558 PolarHBondContact O-N 2.91Å; I554-Y562 HydrophobicContact CG2-CD2 3.62Å; I554-Y562 HydrophobicContact CG2-CE2 4.48Å; I554-Y562 HydrophobicContact CG2-CG 4.22Å; I554-V577 HydrophobicContact CB-CG1 4.41Å; I554-V577 HydrophobicContact CD1-CG1 4Å; I554-V577 HydrophobicContact CG1-CG1 3.73Å; I554-V577 HydrophobicContact CG2-CG1 3.89Å; I554-L581 HydrophobicContact CD1-CD1 4.3Å; I554-L581 HydrophobicContact CG1-CD1 3.96Å; I554-L581 HydrophobicContact CG1-CD2 4.16Å; I554-L581 HydrophobicContact CG1-CG 4.4Å
555	R	89.1	Confident	89.9	Confident	96 Å²	96	50 Å²	50	36%	0.362	25%	0.254	S	S	.	.	H	α-helix	trans	-64.9	-39.9	178.6	-74.4	-175	-76	-164.2	2	113.4	E400 S551 N552 E553 Q559 Y562	E400-R555 IonicContact OE1-NH1 3.47Å; S551-R555 VanDerWaalsContact O-CG 3.32Å; S551-R555 WeakPolarHBondContact O-CG 3.39Å; S551-R555 PolarHBondContact O-N 3.33Å; S551-R555 PolarHBondContact O-NE 3.09Å; N552-R555 PolarHBondContact O-N 2.84Å; N552-R555 PolarHBondContact OD1-NH2 3.18Å; E553-R555 VanDerWaalsContact C-N 3.29Å; E553-R555 PolarHBondContact O-N 3.3Å; R555-Q559 WeakPolarHBondContact O-CG 3.3Å; R555-Y562 HydrophobicContact CG-CD1 4.19Å; R555-Y562 HydrophobicContact CG-CD2 4.25Å; R555-Y562 HydrophobicContact CG-CE1 3.74Å; R555-Y562 HydrophobicContact CG-CE2 3.78Å; R555-Y562 HydrophobicContact CG-CG 4.43Å
556	R	91.1	Very high	89.5	Confident	135 Å²	135	54.4 Å²	54.4	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-91.1	-43.8	-171.2	-174.1	179.7	65.1	163.4	-0.4	113.7	N552 E553 Q559 S592	N552-R556 VanDerWaalsContact O-CB 3.3Å; N552-R556 WeakPolarHBondContact O-CB 3.42Å; N552-R556 PolarHBondContact O-N 2.69Å; E553-R556 PolarHBondContact O-N 2.84Å; R556-Q559 WeakPolarHBondContact O-CG 3.46Å; R556-Q559 PolarHBondContact O-NE2 3.46Å; R556-Q559 VanDerWaalsContact O-NE2 3.09Å; R556-S592 PolarHBondContact NH2-O 3.27Å
557	L	91.9	Very high	89	Confident	27 Å²	27	58.3 Å²	58.3	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-101.6	-25.7	-168.9	-54.4	-176.7	0	0	0	113.2	E553 W584 V591	E553-L557 HydrophobicContact CB-CD1 4.03Å; E553-L557 HydrophobicContact CB-CG 4.35Å; E553-L557 HydrophobicContact CG-CD1 4.09Å; E553-L557 WeakPolarHBondContact O-CA 3.49Å; E553-L557 VanDerWaalsContact O-CB 3.27Å; E553-L557 WeakPolarHBondContact O-CB 3.2Å; E553-L557 PolarHBondContact O-N 2.92Å; L557-W584 HydrophobicContact CB-CD2 4.46Å; L557-W584 HydrophobicContact CB-CZ2 3.89Å; L557-W584 HydrophobicContact CD1-CD2 3.98Å; L557-W584 HydrophobicContact CD1-CE3 4.28Å; L557-W584 HydrophobicContact CD1-CG 4.25Å; L557-W584 HydrophobicContact CD1-CZ2 4.49Å; L557-W584 HydrophobicContact CD2-CH2 4.09Å; L557-W584 HydrophobicContact CD2-CZ2 4.06Å; L557-W584 HydrophobicContact CG-CZ2 4.36Å; L557-V591 HydrophobicContact CD2-CG1 3.79Å
558	C	91.7	Very high	88.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.317	C	S	.	.			trans	-112.8	45.8	179.2	-58.7	0	0	0	0	111.2	E553 I554 Q560 E561 Y562 C580	E553-C558 PolarHBondContact O-N 3.46Å; I554-C558 CarbonylContact O-C 3.28Å; I554-C558 WeakPolarHBondContact O-CB 3.49Å; I554-C558 PolarHBondContact O-N 2.91Å; C558-Q560 VanDerWaalsContact C-N 3.31Å; C558-Q560 PolarHBondContact O-N 2.94Å; C558-E561 VanDerWaalsContact C-OE2 3.31Å; C558-E561 WeakPolarHBondContact CA-OE2 3Å; C558-E561 HydrophobicContact CB-CB 4.41Å; C558-E561 PolarHBondContact O-N 3.11Å; C558-Y562 WeakPolarHBondContact O-CB 3.28Å; C558-Y562 PolarHBondContact O-N 3.4Å; C558-C580 WeakPolarHBondContact CA-SG 3.48Å; C558-C580 HydrophobicContact CB-CB 3.82Å; C558-C580 WeakPolarHBondContact CB-SG 3.42Å; C558-C580 WeakPolarHBondContact SG-CB 3.5Å; C558-C580 CovalentContact SG-SG 2.04Å; C558-C580 PolarHBondContact SG-SG 3.08Å
559	Q	90.8	Very high	88.1	Confident	130 Å²	130	62.7 Å²	62.7	61%	0.607	32%	0.317	S	S	*	.	H	α-helix	trans	-58.8	-39.4	-170.5	-68.6	179.3	3.4	0	0	113.2	R555 R556 S563	R555-Q559 WeakPolarHBondContact O-CG 3.3Å; R556-Q559 WeakPolarHBondContact O-CG 3.46Å; R556-Q559 PolarHBondContact O-NE2 3.46Å; R556-Q559 VanDerWaalsContact O-NE2 3.09Å; Q559-S563 VanDerWaalsContact O-CB 3.27Å; Q559-S563 WeakPolarHBondContact O-CB 3.49Å; Q559-S563 PolarHBondContact O-N 2.85Å; Q559-S563 PolarHBondContact O-OG 3.06Å
560	Q	90.4	Very high	87.6	Confident	159 Å²	159	64.3 Å²	64.3	74%	0.743	33%	0.325	S	S	*	.	H	α-helix	trans	-66	-49.8	-179.5	-67.2	-178	3.2	0	0	110.1	C558 S563 A564	C558-Q560 VanDerWaalsContact C-N 3.31Å; C558-Q560 PolarHBondContact O-N 2.94Å; Q560-S563 PolarHBondContact O-N 3.37Å; Q560-S563 PolarHBondContact O-OG 2.82Å; Q560-A564 PolarHBondContact O-N 2.96Å; Q560-A564 VanDerWaalsContact O-N 3.09Å
561	E	89.9	Confident	87.1	Confident	39 Å²	39	66.7 Å²	66.7	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-40.5	178.7	-58.8	84	170.2	0	0	111.7	C558 A564 L565 R576 V577 C580	C558-E561 VanDerWaalsContact C-OE2 3.31Å; C558-E561 WeakPolarHBondContact CA-OE2 3Å; C558-E561 HydrophobicContact CB-CB 4.41Å; C558-E561 PolarHBondContact O-N 3.11Å; E561-A564 PolarHBondContact O-N 3.39Å; E561-L565 WeakPolarHBondContact O-CB 3.24Å; E561-L565 PolarHBondContact O-N 3.08Å; E561-R576 HydrophobicContact CG-CB 4.09Å; E561-V577 HydrophobicContact CB-CG2 3.76Å; E561-C580 HydrophobicContact CG-CB 4.24Å
562	Y	86.9	Confident	86.4	Confident	47 Å²	47	65.6 Å²	65.6	18%	0.184	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-39.9	175.3	-178.9	-110.3	0	0	0	112.2	I554 R555 C558 A564 L565 K566	I554-Y562 HydrophobicContact CG2-CD2 3.62Å; I554-Y562 HydrophobicContact CG2-CE2 4.48Å; I554-Y562 HydrophobicContact CG2-CG 4.22Å; R555-Y562 HydrophobicContact CG-CD1 4.19Å; R555-Y562 HydrophobicContact CG-CD2 4.25Å; R555-Y562 HydrophobicContact CG-CE1 3.74Å; R555-Y562 HydrophobicContact CG-CE2 3.78Å; R555-Y562 HydrophobicContact CG-CG 4.43Å; C558-Y562 WeakPolarHBondContact O-CB 3.28Å; C558-Y562 PolarHBondContact O-N 3.4Å; Y562-A564 VanDerWaalsContact C-N 3.33Å; Y562-A564 PolarHBondContact O-N 2.82Å; Y562-L565 PolarHBondContact O-N 3.36Å; Y562-K566 WeakPolarHBondContact O-CB 3.3Å; Y562-K566 PolarHBondContact O-N 3.49Å
563	S	86.8	Confident	85.4	Confident	72 Å²	72	61.7 Å²	61.7	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-37.3	176.3	75.7	0	0	0	0	112.3	Q559 Q560 S567	Q559-S563 VanDerWaalsContact O-CB 3.27Å; Q559-S563 WeakPolarHBondContact O-CB 3.49Å; Q559-S563 PolarHBondContact O-N 2.85Å; Q559-S563 PolarHBondContact O-OG 3.06Å; Q560-S563 PolarHBondContact O-N 3.37Å; Q560-S563 PolarHBondContact O-OG 2.82Å; S563-S567 PolarHBondContact O-N 2.98Å; S563-S567 VanDerWaalsContact O-N 3.1Å; S563-S567 PolarHBondContact O-OG 3.03Å
564	A	84.8	Confident	84.2	Confident	36 Å²	36	66.1 Å²	66.1	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-46.2	173.5	0	0	0	0	0	110.7	Q560 E561 Y562 K566 S567 Q568	Q560-A564 PolarHBondContact O-N 2.96Å; Q560-A564 VanDerWaalsContact O-N 3.09Å; E561-A564 PolarHBondContact O-N 3.39Å; Y562-A564 VanDerWaalsContact C-N 3.33Å; Y562-A564 PolarHBondContact O-N 2.82Å; A564-K566 VanDerWaalsContact C-N 3.32Å; A564-K566 PolarHBondContact O-N 3.05Å; A564-S567 PolarHBondContact O-N 2.92Å; A564-S567 PolarHBondContact O-OG 3.35Å; A564-Q568 PolarHBondContact O-N 3.22Å
565	L	82.9	Confident	83.5	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-42.2	177	-175.4	153.8	0	0	0	112.1	V540 R541 F547 E561 Y562 Q568 P569 V577	V540-L565 HydrophobicContact CG1-CD1 4.29Å; R541-L565 HydrophobicContact CG-CD1 4.04Å; F547-L565 HydrophobicContact CE2-CD1 4.35Å; E561-L565 WeakPolarHBondContact O-CB 3.24Å; E561-L565 PolarHBondContact O-N 3.08Å; Y562-L565 PolarHBondContact O-N 3.36Å; L565-Q568 CarbonylContact O-C 3.25Å; L565-Q568 VanDerWaalsContact O-C 3.29Å; L565-Q568 PolarHBondContact O-N 2.89Å; L565-P569 WeakPolarHBondContact O-CA 3.25Å; L565-V577 HydrophobicContact CD1-CG2 4.08Å
566	K	81.8	Confident	83.3	Confident	157 Å²	157	68.8 Å²	68.8	68%	0.683	34%	0.343	S	S	*	.	H	α-helix	trans	-68.5	-36	178.6	-173.1	175	-179.1	176.7	0	112.8	Y562 A564 Q568	Y562-K566 WeakPolarHBondContact O-CB 3.3Å; Y562-K566 PolarHBondContact O-N 3.49Å; A564-K566 VanDerWaalsContact C-N 3.32Å; A564-K566 PolarHBondContact O-N 3.05Å; K566-Q568 VanDerWaalsContact C-N 3.34Å
567	S	83.1	Confident	83.3	Confident	86 Å²	86	62.5 Å²	62.5	60%	0.601	32%	0.32	S	S	*	.	H	α-helix	trans	-75.5	-25.4	179.7	61.5	0	0	0	0	112.6	S563 A564	S563-S567 PolarHBondContact O-N 2.98Å; S563-S567 VanDerWaalsContact O-N 3.1Å; S563-S567 PolarHBondContact O-OG 3.03Å; A564-S567 PolarHBondContact O-N 2.92Å; A564-S567 PolarHBondContact O-OG 3.35Å
568	Q	81.6	Confident	83.2	Confident	99 Å²	99	61.9 Å²	61.9	46%	0.463	32%	0.317	S	S	.	.			trans	-135.6	73.4	-178.8	-61.8	-178	-7	0	0	110.8	A564 L565 K566 D570 D571	A564-Q568 PolarHBondContact O-N 3.22Å; L565-Q568 CarbonylContact O-C 3.25Å; L565-Q568 VanDerWaalsContact O-C 3.29Å; L565-Q568 PolarHBondContact O-N 2.89Å; K566-Q568 VanDerWaalsContact C-N 3.34Å; Q568-D570 PolarHBondContact O-N 2.98Å; Q568-D570 VanDerWaalsContact O-N 3.11Å; Q568-D571 HydrophobicContact CB-CB 3.78Å; Q568-D571 PolarHBondContact O-N 3.09Å; Q568-D571 PolarHBondContact OE1-OD2 3.04Å
569	P	79.7	Confident	83.1	Confident	68 Å²	68	63.6 Å²	63.6	44%	0.442	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.3	-170.9	27.9	-36.7	0	0	0	114.6	K476 R541 L565	K476-P569 PolarHBondContact NZ-O 3.43Å; R541-P569 PolarHBondContact NH1-O 2.91Å; L565-P569 WeakPolarHBondContact O-CA 3.25Å
570	D	82.4	Confident	83.2	Confident	42 Å²	42	57.5 Å²	57.5	23%	0.225	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-2.6	-179.8	-59.7	-35.1	0	0	0	113.5	K469 F472 R473 K476 Q568	K469-D570 WeakPolarHBondContact CA-O 3.24Å; K469-D570 HydrophobicContact CB-CB 3.99Å; K469-D570 HydrophobicContact CG-CB 4.11Å; K469-D570 WeakPolarHBondContact CG-O 3.38Å; F472-D570 VanDerWaalsContact CD1-O 3.25Å; F472-D570 WeakPolarHBondContact CD1-O 3.41Å; R473-D570 WeakPolarHBondContact CD-OD1 3.39Å; R473-D570 WeakPolarHBondContact CD-OD2 3.27Å; R473-D570 HydrophobicContact CG-CB 4.13Å; R473-D570 VanDerWaalsContact CG-CG 3.44Å; R473-D570 WeakPolarHBondContact CG-OD1 3.36Å; R473-D570 IonicContact NE-OD2 2.8Å; K476-D570 IonicContact NZ-OD1 3.66Å; K476-D570 PolarHBondContact NZ-OD1 2.87Å; Q568-D570 PolarHBondContact O-N 2.98Å; Q568-D570 VanDerWaalsContact O-N 3.11Å
571	D	82.8	Confident	83.2	Confident	49 Å²	49	49.9 Å²	49.9	26%	0.262	27%	0.265	S	S	.	.	S	Bend	trans	-83.3	129.3	173.2	-155.2	41.8	0	0	0	108.3	R541 Q568 A573	R541-D571 PolarHBondContact NH1-O 3.38Å; R541-D571 PolarHBondContact NH2-O 3.35Å; Q568-D571 HydrophobicContact CB-CB 3.78Å; Q568-D571 PolarHBondContact O-N 3.09Å; Q568-D571 PolarHBondContact OE1-OD2 3.04Å; D571-A573 PolarHBondContact O-N 3.47Å
572	D	74.7	Confident	83.3	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.032	26%	0.257	C	S	.	.			trans	-72.5	110.9	178	58	-29.6	0	0	0	108.8	K460 R468 F472 H574	K460-D572 VanDerWaalsContact CE-OD2 3.27Å; K460-D572 WeakPolarHBondContact CE-OD2 3.48Å; K460-D572 IonicContact NZ-OD2 3.88Å; R468-D572 WeakPolarHBondContact CD-OD1 3.4Å; F472-D572 HydrophobicContact CD2-CB 3.82Å; F472-D572 HydrophobicContact CE2-CB 3.99Å; F472-D572 HydrophobicContact CG-CB 4.22Å; D572-H574 PolarHBondContact O-N 3.21Å
573	A	66.9	Low	83.5	Confident	18 Å²	18	50.7 Å²	50.7	15%	0.149	27%	0.266	C	S	.	.			trans	-81.1	39.8	-167.6	0	0	0	0	0	112	D539 D571 G575 R576	D539-A573 WeakPolarHBondContact OD2-CB 3.44Å; D539-A573 PolarHBondContact OD2-N 3.46Å; D571-A573 PolarHBondContact O-N 3.47Å; A573-G575 PolarHBondContact O-N 2.99Å; A573-R576 WeakPolarHBondContact O-CB 3.44Å; A573-R576 WeakPolarHBondContact O-CG 3.46Å; A573-R576 PolarHBondContact O-N 3.31Å
574	H	68.5	Low	83.5	Confident	105 Å²	105	49.6 Å²	49.6	49%	0.486	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	26.4	46.5	177.3	-55.7	-50.7	0	0	0	115.1	D572 R576	D572-H574 PolarHBondContact O-N 3.21Å; H574-R576 VanDerWaalsContact C-N 3.28Å; H574-R576 PolarHBondContact O-N 3.33Å
575	G	76.3	Confident	83.5	Confident	6 Å²	6	48.4 Å²	48.4	6%	0.062	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	10.2	-177.9	0	0	0	0	0	117.5	S538 A573 V577 L578 S579	S538-G575 PolarHBondContact O-N 3.27Å; A573-G575 PolarHBondContact O-N 2.99Å; G575-V577 PolarHBondContact O-N 3.19Å; G575-L578 WeakPolarHBondContact O-CB 3.31Å; G575-L578 PolarHBondContact O-N 3.05Å; G575-L578 VanDerWaalsContact O-N 3.09Å; G575-S579 PolarHBondContact O-N 3.17Å; G575-S579 PolarHBondContact O-OG 2.88Å
576	R	84.7	Confident	83.3	Confident	147 Å²	147	49.8 Å²	49.8	56%	0.555	25%	0.248	S	C	*	.	H	α-helix	trans	-55.8	-45.7	-174.5	-66.9	-176.2	-161	-176.1	9.1	113.4	E561 A573 H574 L578 S579 C580	E561-R576 HydrophobicContact CG-CB 4.09Å; A573-R576 WeakPolarHBondContact O-CB 3.44Å; A573-R576 WeakPolarHBondContact O-CG 3.46Å; A573-R576 PolarHBondContact O-N 3.31Å; H574-R576 VanDerWaalsContact C-N 3.28Å; H574-R576 PolarHBondContact O-N 3.33Å; R576-L578 VanDerWaalsContact C-N 3.34Å; R576-L578 PolarHBondContact O-N 3.21Å; R576-S579 PolarHBondContact O-N 2.79Å; R576-C580 PolarHBondContact O-N 3.35Å
577	V	89.6	Confident	82.9	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-42	178.6	178.2	0	0	0	0	110.8	V540 I554 E561 L565 G575 C580 L581	V540-V577 HydrophobicContact CB-CB 4.22Å; V540-V577 HydrophobicContact CB-CG1 4.3Å; V540-V577 HydrophobicContact CG1-CB 3.73Å; V540-V577 HydrophobicContact CG1-CG1 3.85Å; V540-V577 HydrophobicContact CG1-CG2 4.15Å; V540-V577 HydrophobicContact CG2-CG1 4.25Å; I554-V577 HydrophobicContact CB-CG1 4.41Å; I554-V577 HydrophobicContact CD1-CG1 4Å; I554-V577 HydrophobicContact CG1-CG1 3.73Å; I554-V577 HydrophobicContact CG2-CG1 3.89Å; E561-V577 HydrophobicContact CB-CG2 3.76Å; L565-V577 HydrophobicContact CD1-CG2 4.08Å; G575-V577 PolarHBondContact O-N 3.19Å; V577-C580 WeakPolarHBondContact O-CB 3.39Å; V577-C580 PolarHBondContact O-N 3.07Å; V577-L581 HydrophobicContact CG1-CD1 4.27Å; V577-L581 WeakPolarHBondContact O-CG 3.31Å; V577-L581 PolarHBondContact O-N 3.04Å
578	L	90.6	Very high	82	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-42.9	177.5	-178.5	64.1	0	0	0	111.1	L546 G575 R576 C580 L581 R582 V604	L546-L578 HydrophobicContact CD1-CD1 4.16Å; G575-L578 WeakPolarHBondContact O-CB 3.31Å; G575-L578 PolarHBondContact O-N 3.05Å; G575-L578 VanDerWaalsContact O-N 3.09Å; R576-L578 VanDerWaalsContact C-N 3.34Å; R576-L578 PolarHBondContact O-N 3.21Å; L578-C580 VanDerWaalsContact C-N 3.3Å; L578-C580 PolarHBondContact O-N 3.15Å; L578-L581 PolarHBondContact O-N 3.01Å; L578-R582 HydrophobicContact CD1-CG 4.49Å; L578-R582 HydrophobicContact CG-CG 4.5Å; L578-R582 WeakPolarHBondContact O-CG 3.39Å; L578-R582 PolarHBondContact O-N 3.34Å; L578-V604 HydrophobicContact CD1-CB 4.49Å; L578-V604 HydrophobicContact CD1-CG1 4.02Å; L578-V604 HydrophobicContact CD2-CG1 3.74Å; L578-V604 HydrophobicContact CG-CG1 4.44Å
579	S	89.6	Confident	81	Confident	37 Å²	37	49.9 Å²	49.9	26%	0.259	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-40.3	173.4	-63.5	0	0	0	0	112.1	G575 R576 R583	G575-S579 PolarHBondContact O-N 3.17Å; G575-S579 PolarHBondContact O-OG 2.88Å; R576-S579 PolarHBondContact O-N 2.79Å; S579-R583 WeakPolarHBondContact O-CG 3.43Å; S579-R583 PolarHBondContact O-N 2.92Å
580	C	92.1	Very high	80.1	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-50.1	172.3	172.5	0	0	0	0	112	C558 E561 R576 V577 L578 R582 R583	C558-C580 WeakPolarHBondContact CA-SG 3.48Å; C558-C580 HydrophobicContact CB-CB 3.82Å; C558-C580 WeakPolarHBondContact CB-SG 3.42Å; C558-C580 WeakPolarHBondContact SG-CB 3.5Å; C558-C580 CovalentContact SG-SG 2.04Å; C558-C580 PolarHBondContact SG-SG 3.08Å; E561-C580 HydrophobicContact CG-CB 4.24Å; R576-C580 PolarHBondContact O-N 3.35Å; V577-C580 WeakPolarHBondContact O-CB 3.39Å; V577-C580 PolarHBondContact O-N 3.07Å; L578-C580 VanDerWaalsContact C-N 3.3Å; L578-C580 PolarHBondContact O-N 3.15Å; C580-R582 VanDerWaalsContact C-N 3.32Å; C580-R582 PolarHBondContact O-N 3.03Å; C580-R583 WeakPolarHBondContact O-CB 3.38Å; C580-R583 PolarHBondContact O-N 3.48Å
581	L	92.4	Very high	79.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-39.7	179.3	-69	172.8	0	0	0	112.4	V540 L546 C550 E553 I554 V577 L578 R583 W584 I593 V601	V540-L581 HydrophobicContact CG2-CD1 4.49Å; L546-L581 HydrophobicContact CD2-CD1 4.03Å; C550-L581 HydrophobicContact CB-CD1 4.06Å; C550-L581 HydrophobicContact CB-CD2 4.43Å; E553-L581 HydrophobicContact CB-CD2 4.32Å; I554-L581 HydrophobicContact CD1-CD1 4.3Å; I554-L581 HydrophobicContact CG1-CD1 3.96Å; I554-L581 HydrophobicContact CG1-CD2 4.16Å; I554-L581 HydrophobicContact CG1-CG 4.4Å; V577-L581 HydrophobicContact CG1-CD1 4.27Å; V577-L581 WeakPolarHBondContact O-CG 3.31Å; V577-L581 PolarHBondContact O-N 3.04Å; L578-L581 PolarHBondContact O-N 3.01Å; L581-R583 VanDerWaalsContact C-N 3.32Å; L581-R583 PolarHBondContact O-N 3.27Å; L581-W584 PolarHBondContact O-N 3.08Å; L581-I593 HydrophobicContact CD2-CD1 4.34Å; L581-V601 HydrophobicContact CB-CG2 4Å; L581-V601 HydrophobicContact CD1-CG2 4.36Å
582	R	92	Very high	79	Confident	5 Å²	5	59.1 Å²	59.1	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-36.7	177.2	-72.4	175.6	83.9	162.2	13	112.5	L578 C580 W584 I585 V601 I605 T608 D615 E672	L578-R582 HydrophobicContact CD1-CG 4.49Å; L578-R582 HydrophobicContact CG-CG 4.5Å; L578-R582 WeakPolarHBondContact O-CG 3.39Å; L578-R582 PolarHBondContact O-N 3.34Å; C580-R582 VanDerWaalsContact C-N 3.32Å; C580-R582 PolarHBondContact O-N 3.03Å; R582-W584 VanDerWaalsContact C-N 3.27Å; R582-W584 PolarHBondContact O-N 3.46Å; R582-I585 WeakPolarHBondContact O-CB 3.44Å; R582-I585 PolarHBondContact O-N 2.98Å; R582-V601 HydrophobicContact CG-CG1 4.12Å; R582-I605 HydrophobicContact CG-CD1 4.23Å; R582-I605 HydrophobicContact CG-CG1 4.11Å; R582-T608 PolarHBondContact NH2-OG1 3.26Å; R582-D615 IonicContact CZ-OD2 2.71Å; R582-D615 IonicContact NH1-OD1 3.94Å; R582-D615 IonicContact NH1-OD2 2.77Å; R582-D615 PolarHBondContact NH1-OD2 3.3Å; R582-D615 IonicContact NH2-OD2 3.38Å; R582-D615 PolarHBondContact NH2-OD2 3.47Å; R582-D615 VanDerWaalsContact NH2-OD2 3.15Å; R582-E672 IonicContact CZ-OE1 3.68Å; R582-E672 IonicContact CZ-OE2 2.61Å; R582-E672 VanDerWaalsContact CZ-OE2 3.31Å; R582-E672 IonicContact NE-OE1 3.93Å; R582-E672 PolarHBondContact NE-OE1 3.11Å; R582-E672 IonicContact NE-OE2 3.62Å; R582-E672 PolarHBondContact NE-OE2 3.17Å; R582-E672 IonicContact NH2-OE1 3.27Å; R582-E672 IonicContact NH2-OE2 3.86Å; R582-E672 PolarHBondContact NH2-OE2 3.06Å
583	R	89.5	Confident	79.7	Confident	98 Å²	98	59.4 Å²	59.4	37%	0.37	30%	0.295	S	S	.	.	H	α-helix	trans	-57.7	-40.8	176.6	-70.8	-174.1	-63.2	106.2	-3.9	112	S579 C580 L581 I585 T586 E587	S579-R583 WeakPolarHBondContact O-CG 3.43Å; S579-R583 PolarHBondContact O-N 2.92Å; C580-R583 WeakPolarHBondContact O-CB 3.38Å; C580-R583 PolarHBondContact O-N 3.48Å; L581-R583 VanDerWaalsContact C-N 3.32Å; L581-R583 PolarHBondContact O-N 3.27Å; R583-I585 PolarHBondContact O-N 2.69Å; R583-T586 PolarHBondContact O-N 2.03Å; R583-T586 PolarHBondContact O-OG1 2.85Å; R583-E587 IonicContact NH1-OE1 3.89Å; R583-E587 WeakPolarHBondContact O-CG 3.34Å; R583-E587 PolarHBondContact O-N 2.98Å
584	W	87.8	Confident	80.8	Confident	49 Å²	49	60.7 Å²	60.7	19%	0.186	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-12.7	178	-65.9	101	0	0	0	114.4	L557 L581 R582 V591	L557-W584 HydrophobicContact CB-CD2 4.46Å; L557-W584 HydrophobicContact CB-CZ2 3.89Å; L557-W584 HydrophobicContact CD1-CD2 3.98Å; L557-W584 HydrophobicContact CD1-CE3 4.28Å; L557-W584 HydrophobicContact CD1-CG 4.25Å; L557-W584 HydrophobicContact CD1-CZ2 4.49Å; L557-W584 HydrophobicContact CD2-CH2 4.09Å; L557-W584 HydrophobicContact CD2-CZ2 4.06Å; L557-W584 HydrophobicContact CG-CZ2 4.36Å; L581-W584 PolarHBondContact O-N 3.08Å; R582-W584 VanDerWaalsContact C-N 3.27Å; R582-W584 PolarHBondContact O-N 3.46Å; W584-V591 HydrophobicContact CZ3-CB 4.41Å
585	I	85.1	Confident	81.9	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-77.3	-33	169	-57.2	-60.8	0	0	0	111.1	R582 R583 I593 K598 V601 I605 L679	R582-I585 WeakPolarHBondContact O-CB 3.44Å; R582-I585 PolarHBondContact O-N 2.98Å; R583-I585 PolarHBondContact O-N 2.69Å; I585-I593 HydrophobicContact CD1-CG2 4.48Å; I585-K598 HydrophobicContact CD1-CG 3.86Å; I585-V601 HydrophobicContact CD1-CB 4.13Å; I585-V601 HydrophobicContact CD1-CG1 3.99Å; I585-V601 HydrophobicContact CG1-CB 4.27Å; I585-V601 HydrophobicContact CG1-CG1 3.55Å; I585-I605 HydrophobicContact CB-CD1 4.41Å; I585-I605 HydrophobicContact CG1-CD1 4.21Å; I585-I605 HydrophobicContact CG2-CD1 4.25Å; I585-L679 HydrophobicContact CG2-CD1 4.29Å
586	T	79.1	Confident	82.7	Confident	44 Å²	44	65.8 Å²	65.8	27%	0.27	33%	0.329	S	S	.	.	H	α-helix	trans	-93.2	-28.2	-176.1	65.5	0	0	0	0	114	R583 K671 E672	R583-T586 PolarHBondContact O-N 2.03Å; R583-T586 PolarHBondContact O-OG1 2.85Å; T586-K671 HydrophobicContact CG2-CB 4.14Å; T586-E672 HydrophobicContact CG2-CB 4.22Å; T586-E672 HydrophobicContact CG2-CG 3.52Å
587	E	72.7	Confident	83.1	Confident	91 Å²	91	58.8 Å²	58.8	43%	0.425	30%	0.302	S	S	.	.	S	Bend	trans	-81.9	124.2	-175.8	-72.4	176.4	-164.7	0	0	111	R583 S589	R583-E587 IonicContact NH1-OE1 3.89Å; R583-E587 WeakPolarHBondContact O-CG 3.34Å; R583-E587 PolarHBondContact O-N 2.98Å; E587-S589 VanDerWaalsContact C-N 3.33Å; E587-S589 PolarHBondContact O-N 2.02Å
588	K	64	Low	83.2	Confident	197 Å²	197	60.8 Å²	60.8	86%	0.857	31%	0.311	S	S	*	.			trans	-74.1	88.3	167.5	-70.1	-173.3	177.7	-176.3	0	108.7
589	S	60.6	Low	83.3	Confident	56 Å²	56	66.5 Å²	66.5	39%	0.392	33%	0.332	S	S	.	.			trans	-107.8	150.1	174.6	-173.9	0	0	0	0	111.2	E587 V591	E587-S589 VanDerWaalsContact C-N 3.33Å; E587-S589 PolarHBondContact O-N 2.02Å; S589-V591 PolarHBondContact O-N 3Å; S589-V591 PolarHBondContact OG-N 3.23Å
590	E	61.4	Low	83.5	Confident	203 Å²	203	66 Å²	66	95%	0.949	33%	0.325	S	S	*	.	S	Bend	trans	-62.1	-24	167.7	-68.1	-174.3	164.6	0	0	111.7
591	V	67	Low	83.6	Confident	60 Å²	60	66 Å²	66	36%	0.364	33%	0.325	S	S	.	.	S	Bend	trans	-92.5	107.8	178.5	-174.9	0	0	0	0	109	L557 W584 S589	L557-V591 HydrophobicContact CD2-CG1 3.79Å; W584-V591 HydrophobicContact CZ3-CB 4.41Å; S589-V591 PolarHBondContact O-N 3Å; S589-V591 PolarHBondContact OG-N 3.23Å
592	S	75.1	Confident	83.7	Confident	91 Å²	91	67.9 Å²	67.9	64%	0.636	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-85.5	143.6	175.1	60	0	0	0	0	112.3	R556	R556-S592 PolarHBondContact NH2-O 3.27Å
593	I	87.8	Confident	83.7	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.056	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-70.3	144.4	160	-171.7	162.7	0	0	0	108.7	E553 L581 I585 C597 K598 V601	E553-I593 HydrophobicContact CB-CG1 4.42Å; E553-I593 HydrophobicContact CG-CG1 3.94Å; L581-I593 HydrophobicContact CD2-CD1 4.34Å; I585-I593 HydrophobicContact CD1-CG2 4.48Å; I593-C597 HydrophobicContact CD1-CB 4.01Å; I593-C597 WeakPolarHBondContact CD1-SG 3.46Å; I593-C597 HydrophobicContact CG1-CB 3.63Å; I593-C597 WeakPolarHBondContact CG1-SG 3.38Å; I593-K598 HydrophobicContact CG2-CB 3.95Å; I593-K598 HydrophobicContact CG2-CD 4.38Å; I593-K598 HydrophobicContact CG2-CG 4.13Å; I593-V601 HydrophobicContact CD1-CG2 4.39Å
594	S	91	Very high	83.9	Confident	45 Å²	45	68.6 Å²	68.6	32%	0.315	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-60.1	152.7	177.6	62.6	0	0	0	0	111.7	E553 Q596 C597 K598	E553-S594 WeakPolarHBondContact OE1-CB 3.01Å; E553-S594 PolarHBondContact OE1-N 2.85Å; E553-S594 PolarHBondContact OE1-OG 3.05Å; S594-Q596 PolarHBondContact O-N 3.05Å; S594-C597 PolarHBondContact O-N 3.4Å; S594-C597 WeakPolarHBondContact OG-CB 3.4Å; S594-C597 PolarHBondContact OG-N 3.33Å; S594-K598 WeakPolarHBondContact O-CB 3.47Å; S594-K598 PolarHBondContact O-N 2.99Å
595	D	90.6	Very high	84.2	Confident	117 Å²	117	66.3 Å²	66.3	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-60	-32.6	178.7	-69.8	-34.3	0	0	0	112.5	R599	D595-R599 VanDerWaalsContact O-CG 3.3Å; D595-R599 WeakPolarHBondContact O-CG 3.47Å; D595-R599 PolarHBondContact O-N 2.97Å; D595-R599 PolarHBondContact O-NH1 2.84Å
596	Q	93.2	Very high	84.5	Confident	101 Å²	101	70.4 Å²	70.4	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-52.6	176.4	-166.8	-177.6	-13.5	0	0	110.7	A549 S594 K598 R599 E600	A549-Q596 HydrophobicContact CB-CG 3.77Å; S594-Q596 PolarHBondContact O-N 3.05Å; Q596-K598 VanDerWaalsContact C-N 3.34Å; Q596-K598 PolarHBondContact O-N 3.33Å; Q596-R599 PolarHBondContact O-N 2.98Å; Q596-E600 PolarHBondContact O-N 3.1Å
597	C	94	Very high	85	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-39.6	177.1	-178.8	0	0	0	0	112.1	C550 I593 S594 R599 E600 V601	C550-C597 WeakPolarHBondContact CA-SG 2.97Å; C550-C597 HydrophobicContact CB-CB 3.92Å; C550-C597 WeakPolarHBondContact CB-SG 3.26Å; C550-C597 WeakPolarHBondContact SG-CA 3.41Å; C550-C597 WeakPolarHBondContact SG-CB 2.96Å; C550-C597 CovalentContact SG-SG 2.02Å; C550-C597 PolarHBondContact SG-SG 3.12Å; I593-C597 HydrophobicContact CD1-CB 4.01Å; I593-C597 WeakPolarHBondContact CD1-SG 3.46Å; I593-C597 HydrophobicContact CG1-CB 3.63Å; I593-C597 WeakPolarHBondContact CG1-SG 3.38Å; S594-C597 PolarHBondContact O-N 3.4Å; S594-C597 WeakPolarHBondContact OG-CB 3.4Å; S594-C597 PolarHBondContact OG-N 3.33Å; C597-R599 VanDerWaalsContact C-N 3.3Å; C597-R599 PolarHBondContact O-N 3.09Å; C597-E600 PolarHBondContact O-N 3.27Å; C597-V601 VanDerWaalsContact O-CG2 3.31Å; C597-V601 WeakPolarHBondContact O-CG2 3.44Å; C597-V601 PolarHBondContact O-N 3.36Å
598	K	92.1	Very high	86	Confident	46 Å²	46	65.8 Å²	65.8	20%	0.2	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-42.5	175.6	-162.7	173.8	-174.7	172.9	0	111.6	I585 I593 S594 Q596 K602 D702	I585-K598 HydrophobicContact CD1-CG 3.86Å; I593-K598 HydrophobicContact CG2-CB 3.95Å; I593-K598 HydrophobicContact CG2-CD 4.38Å; I593-K598 HydrophobicContact CG2-CG 4.13Å; S594-K598 WeakPolarHBondContact O-CB 3.47Å; S594-K598 PolarHBondContact O-N 2.99Å; Q596-K598 VanDerWaalsContact C-N 3.34Å; Q596-K598 PolarHBondContact O-N 3.33Å; K598-K602 WeakPolarHBondContact O-CB 3.44Å; K598-K602 VanDerWaalsContact O-CG 3.23Å; K598-K602 WeakPolarHBondContact O-CG 3.44Å; K598-K602 PolarHBondContact O-N 3.16Å; K598-D702 IonicContact NZ-OD1 3.06Å; K598-D702 PolarHBondContact NZ-OD1 2.78Å
599	R	92.7	Very high	87.2	Confident	134 Å²	134	57 Å²	57	51%	0.506	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-46.8	177.5	-77.3	-172.5	-55.6	-91.8	6.3	112	D595 Q596 C597 K602 Q603	D595-R599 VanDerWaalsContact O-CG 3.3Å; D595-R599 WeakPolarHBondContact O-CG 3.47Å; D595-R599 PolarHBondContact O-N 2.97Å; D595-R599 PolarHBondContact O-NH1 2.84Å; Q596-R599 PolarHBondContact O-N 2.98Å; C597-R599 VanDerWaalsContact C-N 3.3Å; C597-R599 PolarHBondContact O-N 3.09Å; R599-K602 PolarHBondContact O-N 3.41Å; R599-Q603 WeakPolarHBondContact O-CG 3.08Å; R599-Q603 PolarHBondContact O-N 3.1Å
600	E	94.2	Very high	88.5	Confident	26 Å²	26	56.7 Å²	56.7	12%	0.121	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-43.8	-178.5	-61.6	-54.3	138.5	0	0	111.6	V545 L546 A549 Q596 C597 K602 Q603 V604	V545-E600 HydrophobicContact CG1-CG 4.43Å; L546-E600 HydrophobicContact CB-CB 3.97Å; L546-E600 HydrophobicContact CD1-CB 4.27Å; L546-E600 HydrophobicContact CG-CB 3.97Å; A549-E600 HydrophobicContact CB-CB 4.48Å; A549-E600 HydrophobicContact CB-CG 3.72Å; Q596-E600 PolarHBondContact O-N 3.1Å; C597-E600 PolarHBondContact O-N 3.27Å; E600-K602 VanDerWaalsContact C-N 3.32Å; E600-K602 PolarHBondContact O-N 2.81Å; E600-Q603 WeakPolarHBondContact O-CB 3.44Å; E600-Q603 PolarHBondContact O-N 2.94Å; E600-Q603 VanDerWaalsContact O-N 3.15Å; E600-V604 WeakPolarHBondContact O-CG2 3.24Å; E600-V604 PolarHBondContact O-N 2.85Å; E600-V604 VanDerWaalsContact O-N 3.1Å
601	V	94.1	Very high	89.8	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-40.4	176	179	0	0	0	0	111.1	L546 L581 R582 I585 I593 C597 Q603 V604 I605	L546-V601 HydrophobicContact CD1-CG2 4.37Å; L581-V601 HydrophobicContact CB-CG2 4Å; L581-V601 HydrophobicContact CD1-CG2 4.36Å; R582-V601 HydrophobicContact CG-CG1 4.12Å; I585-V601 HydrophobicContact CD1-CB 4.13Å; I585-V601 HydrophobicContact CD1-CG1 3.99Å; I585-V601 HydrophobicContact CG1-CB 4.27Å; I585-V601 HydrophobicContact CG1-CG1 3.55Å; I593-V601 HydrophobicContact CD1-CG2 4.39Å; C597-V601 VanDerWaalsContact O-CG2 3.31Å; C597-V601 WeakPolarHBondContact O-CG2 3.44Å; C597-V601 PolarHBondContact O-N 3.36Å; V601-Q603 PolarHBondContact O-N 3.3Å; V601-V604 PolarHBondContact O-N 3.17Å; V601-I605 HydrophobicContact CG1-CD1 4.15Å; V601-I605 WeakPolarHBondContact O-CG1 3.18Å; V601-I605 PolarHBondContact O-N 3.14Å
602	K	92.9	Very high	90.9	Very high	40 Å²	40	45.3 Å²	45.3	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-37.9	174.5	-77.7	-178.5	178.9	-170	0	112.9	K598 R599 E600 V604 I605 F606 D676 L679	K598-K602 WeakPolarHBondContact O-CB 3.44Å; K598-K602 VanDerWaalsContact O-CG 3.23Å; K598-K602 WeakPolarHBondContact O-CG 3.44Å; K598-K602 PolarHBondContact O-N 3.16Å; R599-K602 PolarHBondContact O-N 3.41Å; E600-K602 VanDerWaalsContact C-N 3.32Å; E600-K602 PolarHBondContact O-N 2.81Å; K602-V604 VanDerWaalsContact C-N 3.28Å; K602-V604 PolarHBondContact O-N 3.22Å; K602-I605 PolarHBondContact O-N 2.89Å; K602-F606 WeakPolarHBondContact O-CB 3.47Å; K602-F606 PolarHBondContact O-N 3.41Å; K602-D676 WeakPolarHBondContact CE-OD2 3.33Å; K602-D676 IonicContact NZ-OD2 2.64Å; K602-D676 PolarHBondContact NZ-OD2 2.93Å; K602-L679 HydrophobicContact CB-CD2 4.22Å; K602-L679 HydrophobicContact CG-CD1 4.5Å; K602-L679 HydrophobicContact CG-CD2 4.29Å
603	Q	92.8	Very high	91.7	Very high	95 Å²	95	41.1 Å²	41.1	44%	0.444	21%	0.205	S	C	.	.	H	α-helix	trans	-62.5	-37.8	175.1	-75.1	179.1	25	0	0	111.6	R599 E600 V601 A607	R599-Q603 WeakPolarHBondContact O-CG 3.08Å; R599-Q603 PolarHBondContact O-N 3.1Å; E600-Q603 WeakPolarHBondContact O-CB 3.44Å; E600-Q603 PolarHBondContact O-N 2.94Å; E600-Q603 VanDerWaalsContact O-N 3.15Å; V601-Q603 PolarHBondContact O-N 3.3Å; Q603-A607 WeakPolarHBondContact O-CB 3.33Å; Q603-A607 PolarHBondContact O-N 3.17Å
604	V	93.5	Very high	91.9	Very high	24 Å²	24	41.2 Å²	41.2	15%	0.145	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-46.4	174.9	177.6	0	0	0	0	111.5	L546 L578 E600 V601 K602 F606 A607 T608	L546-V604 HydrophobicContact CD1-CB 4.45Å; L546-V604 HydrophobicContact CD1-CG2 3.44Å; L546-V604 VanDerWaalsContact CD1-CG2 3.44Å; L578-V604 HydrophobicContact CD1-CB 4.49Å; L578-V604 HydrophobicContact CD1-CG1 4.02Å; L578-V604 HydrophobicContact CD2-CG1 3.74Å; L578-V604 HydrophobicContact CG-CG1 4.44Å; E600-V604 WeakPolarHBondContact O-CG2 3.24Å; E600-V604 PolarHBondContact O-N 2.85Å; E600-V604 VanDerWaalsContact O-N 3.1Å; V601-V604 PolarHBondContact O-N 3.17Å; K602-V604 VanDerWaalsContact C-N 3.28Å; K602-V604 PolarHBondContact O-N 3.22Å; V604-F606 VanDerWaalsContact C-N 3.33Å; V604-F606 PolarHBondContact O-N 3.05Å; V604-A607 WeakPolarHBondContact O-CB 3.36Å; V604-A607 PolarHBondContact O-N 2.91Å; V604-T608 PolarHBondContact O-N 3.01Å
605	I	93.6	Very high	91.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-45.8	176.6	-62.7	166.1	0	0	0	110.5	R582 I585 V601 K602 A607 T608 E609 E672 L679	R582-I605 HydrophobicContact CG-CD1 4.23Å; R582-I605 HydrophobicContact CG-CG1 4.11Å; I585-I605 HydrophobicContact CB-CD1 4.41Å; I585-I605 HydrophobicContact CG1-CD1 4.21Å; I585-I605 HydrophobicContact CG2-CD1 4.25Å; V601-I605 HydrophobicContact CG1-CD1 4.15Å; V601-I605 WeakPolarHBondContact O-CG1 3.18Å; V601-I605 PolarHBondContact O-N 3.14Å; K602-I605 PolarHBondContact O-N 2.89Å; I605-A607 VanDerWaalsContact C-N 3.31Å; I605-A607 PolarHBondContact O-N 3.23Å; I605-T608 WeakPolarHBondContact CA-OG1 3.49Å; I605-T608 PolarHBondContact O-N 3.4Å; I605-T608 VanDerWaalsContact O-N 3.08Å; I605-T608 PolarHBondContact O-OG1 3.3Å; I605-E609 PolarHBondContact O-N 3.33Å; I605-E672 HydrophobicContact CD1-CG 4.4Å; I605-E672 HydrophobicContact CG2-CB 4.33Å; I605-E672 VanDerWaalsContact CG2-OE2 3.31Å; I605-E672 WeakPolarHBondContact CG2-OE2 3.32Å; I605-L679 HydrophobicContact CB-CD2 3.99Å; I605-L679 HydrophobicContact CD1-CD1 4.12Å; I605-L679 HydrophobicContact CG2-CB 4.16Å; I605-L679 HydrophobicContact CG2-CD1 4.07Å; I605-L679 HydrophobicContact CG2-CD2 3.87Å; I605-L679 HydrophobicContact CG2-CG 4.24Å
606	F	91.8	Very high	91.9	Very high	98 Å²	98	35.8 Å²	35.8	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-58.2	-42.2	176.1	177.9	-90.2	0	0	0	112.2	K602 V604 T608 E609 V610 V681	K602-F606 WeakPolarHBondContact O-CB 3.47Å; K602-F606 PolarHBondContact O-N 3.41Å; V604-F606 VanDerWaalsContact C-N 3.33Å; V604-F606 PolarHBondContact O-N 3.05Å; F606-T608 VanDerWaalsContact C-N 3.29Å; F606-T608 PolarHBondContact O-N 2.81Å; F606-E609 WeakPolarHBondContact O-CB 3.37Å; F606-E609 PolarHBondContact O-N 2.96Å; F606-E609 VanDerWaalsContact O-N 3.15Å; F606-V610 HydrophobicContact CD1-CG2 4.35Å; F606-V610 HydrophobicContact CE1-CG2 3.85Å; F606-V610 HydrophobicContact CZ-CG2 4.04Å; F606-V610 PolarHBondContact O-N 2.97Å; F606-V681 HydrophobicContact CD2-CG2 3.83Å; F606-V681 HydrophobicContact CE2-CG1 4.39Å; F606-V681 HydrophobicContact CE2-CG2 3.58Å; F606-V681 HydrophobicContact CZ-CG2 4.33Å
607	A	90.6	Very high	91.8	Very high	31 Å²	31	32.4 Å²	32.4	26%	0.256	16%	0.159	S	C	.	.	H	α-helix	trans	-62	-37.8	176.1	0	0	0	0	0	112	Q603 V604 I605 E609 V610 D611	Q603-A607 WeakPolarHBondContact O-CB 3.33Å; Q603-A607 PolarHBondContact O-N 3.17Å; V604-A607 WeakPolarHBondContact O-CB 3.36Å; V604-A607 PolarHBondContact O-N 2.91Å; I605-A607 VanDerWaalsContact C-N 3.31Å; I605-A607 PolarHBondContact O-N 3.23Å; A607-E609 VanDerWaalsContact C-N 3.31Å; A607-E609 PolarHBondContact O-N 3.4Å; A607-V610 PolarHBondContact O-N 2.85Å; A607-D611 PolarHBondContact O-N 3.24Å
608	T	92.3	Very high	91.7	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.043	16%	0.159	C	C	.	.	H	α-helix	trans	-70	-23.5	175.1	59.8	0	0	0	0	114.2	R582 V604 I605 F606 D611 P612 L614 D615	R582-T608 PolarHBondContact NH2-OG1 3.26Å; V604-T608 PolarHBondContact O-N 3.01Å; I605-T608 WeakPolarHBondContact CA-OG1 3.49Å; I605-T608 PolarHBondContact O-N 3.4Å; I605-T608 VanDerWaalsContact O-N 3.08Å; I605-T608 PolarHBondContact O-OG1 3.3Å; F606-T608 VanDerWaalsContact C-N 3.29Å; F606-T608 PolarHBondContact O-N 2.81Å; T608-D611 CarbonylContact O-C 3.51Å; T608-P612 WeakPolarHBondContact O-CA 3.44Å; T608-P612 VanDerWaalsContact O-N 3.11Å; T608-L614 HydrophobicContact CG2-CB 4.26Å; T608-D615 HydrophobicContact CG2-CB 3.79Å
609	E	90.2	Very high	91.7	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.061	16%	0.159	C	C	.	.	H	α-helix	trans	-75.1	-37.7	173.2	-73.3	-70	115.2	0	0	112.2	I605 F606 A607 L645 K649 I669 L679 V681	I605-E609 PolarHBondContact O-N 3.33Å; F606-E609 WeakPolarHBondContact O-CB 3.37Å; F606-E609 PolarHBondContact O-N 2.96Å; F606-E609 VanDerWaalsContact O-N 3.15Å; A607-E609 VanDerWaalsContact C-N 3.31Å; A607-E609 PolarHBondContact O-N 3.4Å; E609-L645 VanDerWaalsContact CD-CD2 3.43Å; E609-L645 WeakPolarHBondContact OE1-CD2 3.29Å; E609-L645 VanDerWaalsContact OE2-CD2 3.31Å; E609-L645 WeakPolarHBondContact OE2-CD2 3.39Å; E609-K649 IonicContact OE2-NZ 3.49Å; E609-I669 WeakPolarHBondContact OE1-CG2 3.43Å; E609-L679 VanDerWaalsContact CD-O 3.28Å; E609-L679 WeakPolarHBondContact CG-O 3.36Å; E609-V681 HydrophobicContact CB-CG2 3.69Å; E609-V681 HydrophobicContact CG-CG2 4.46Å
610	V	86.6	Confident	91.6	Very high	48 Å²	48	30.7 Å²	30.7	29%	0.291	16%	0.164	S	C	.	.	H	α-helix	trans	-70.5	-43.1	176	177.6	0	0	0	0	110.2	F606 A607 R642 V681	F606-V610 HydrophobicContact CD1-CG2 4.35Å; F606-V610 HydrophobicContact CE1-CG2 3.85Å; F606-V610 HydrophobicContact CZ-CG2 4.04Å; F606-V610 PolarHBondContact O-N 2.97Å; A607-V610 PolarHBondContact O-N 2.85Å; V610-R642 WeakPolarHBondContact O-CA 3.34Å; V610-R642 PolarHBondContact O-N 2.89Å; V610-V681 HydrophobicContact CG2-CG2 4.41Å
611	D	88.9	Confident	91.6	Very high	21 Å²	21	31.3 Å²	31.3	11%	0.112	17%	0.171	C	C	.	.			trans	-129.5	94.7	176.1	-172.8	-13	0	0	0	111.4	A607 T608 T613 L614 H641	A607-D611 PolarHBondContact O-N 3.24Å; T608-D611 CarbonylContact O-C 3.51Å; D611-T613 PolarHBondContact O-N 3.09Å; D611-T613 WeakPolarHBondContact OD1-CB 3.27Å; D611-T613 PolarHBondContact OD1-N 3.4Å; D611-T613 PolarHBondContact OD1-OG1 2.71Å; D611-T613 PolarHBondContact OD2-OG1 2.95Å; D611-L614 HydrophobicContact CB-CD1 3.94Å; D611-L614 HydrophobicContact CB-CG 3.97Å; D611-L614 WeakPolarHBondContact O-CB 3.17Å; D611-L614 PolarHBondContact O-N 2.98Å; D611-H641 WeakPolarHBondContact OD1-CB 3.39Å; D611-H641 IonicContact OD1-CE1 2.57Å; D611-H641 IonicContact OD1-CG 2.7Å; D611-H641 IonicContact OD1-ND1 3.92Å; D611-H641 PolarHBondContact OD1-ND1 3.13Å; D611-H641 IonicContact OD2-ND1 3.68Å; D611-H641 PolarHBondContact OD2-ND1 3.23Å
612	P	91.8	Very high	91.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.019	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.5	-15.3	179.5	-26.6	36.6	0	0	0	114.9	T608 L614 D615 F618 H641 I644 L645	T608-P612 WeakPolarHBondContact O-CA 3.44Å; T608-P612 VanDerWaalsContact O-N 3.11Å; P612-L614 PolarHBondContact O-N 2.98Å; P612-D615 PolarHBondContact O-N 3.03Å; P612-F618 HydrophobicContact CB-CD1 4.18Å; P612-F618 HydrophobicContact CB-CE1 3.74Å; P612-H641 VanDerWaalsContact CD-O 3.27Å; P612-H641 WeakPolarHBondContact CD-O 3.44Å; P612-I644 HydrophobicContact CG-CB 4.32Å; P612-L645 HydrophobicContact CG-CB 3.81Å
613	T	90.2	Very high	91.7	Very high	4 Å²	4	34 Å²	34	3%	0.025	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-76.9	-14.3	177.2	69.8	0	0	0	0	112.9	H534 D611 D615 H641 I644	H534-T613 PolarHBondContact CE1-OG1 2.68Å; D611-T613 PolarHBondContact O-N 3.09Å; D611-T613 WeakPolarHBondContact OD1-CB 3.27Å; D611-T613 PolarHBondContact OD1-N 3.4Å; D611-T613 PolarHBondContact OD1-OG1 2.71Å; D611-T613 PolarHBondContact OD2-OG1 2.95Å; T613-D615 VanDerWaalsContact C-N 3.31Å; T613-H641 HydrophobicContact CG2-CB 4.24Å; T613-H641 WeakPolarHBondContact CG2-ND1 3.24Å; T613-H641 PolarHBondContact OG1-CE1 3.12Å; T613-H641 PolarHBondContact OG1-ND1 3.33Å; T613-I644 HydrophobicContact CG2-CD1 4.33Å
614	L	92	Very high	91.7	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.068	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-77	-17.3	169.9	-57.2	-179.3	0	0	0	112.2	Q533 A537 T608 D611 P612 I616	Q533-L614 HydrophobicContact CB-CD1 4.48Å; Q533-L614 HydrophobicContact CB-CD2 3.95Å; A537-L614 HydrophobicContact CB-CB 4.2Å; A537-L614 HydrophobicContact CB-CD2 4.43Å; A537-L614 WeakPolarHBondContact CB-O 3.47Å; T608-L614 HydrophobicContact CG2-CB 4.26Å; D611-L614 HydrophobicContact CB-CD1 3.94Å; D611-L614 HydrophobicContact CB-CG 3.97Å; D611-L614 WeakPolarHBondContact O-CB 3.17Å; D611-L614 PolarHBondContact O-N 2.98Å; P612-L614 PolarHBondContact O-N 2.98Å; L614-I616 PolarHBondContact O-N 3.38Å
615	D	92.8	Very high	91.8	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	19%	0.188	C	C	.	.			trans	-81.5	84.5	171.7	-165.7	-38.4	0	0	0	109.6	R582 T608 P612 T613 P617 F618 H619 R668	R582-D615 IonicContact CZ-OD2 2.71Å; R582-D615 IonicContact NH1-OD1 3.94Å; R582-D615 IonicContact NH1-OD2 2.77Å; R582-D615 PolarHBondContact NH1-OD2 3.3Å; R582-D615 IonicContact NH2-OD2 3.38Å; R582-D615 PolarHBondContact NH2-OD2 3.47Å; R582-D615 VanDerWaalsContact NH2-OD2 3.15Å; T608-D615 HydrophobicContact CG2-CB 3.79Å; P612-D615 PolarHBondContact O-N 3.03Å; T613-D615 VanDerWaalsContact C-N 3.31Å; D615-P617 WeakPolarHBondContact OD1-CD 3.08Å; D615-F618 HydrophobicContact CB-CB 3.83Å; D615-F618 HydrophobicContact CB-CD1 4.42Å; D615-F618 VanDerWaalsContact CG-CB 3.49Å; D615-F618 PolarHBondContact O-N 2.82Å; D615-F618 VanDerWaalsContact O-N 3.11Å; D615-F618 WeakPolarHBondContact OD1-CB 3.33Å; D615-F618 PolarHBondContact OD1-N 3.41Å; D615-F618 VanDerWaalsContact OD1-N 3.16Å; D615-H619 WeakPolarHBondContact O-CB 3.33Å; D615-H619 PolarHBondContact O-N 3.34Å; D615-R668 VanDerWaalsContact CG-NH2 3.25Å; D615-R668 IonicContact OD1-NH2 3.2Å; D615-R668 PolarHBondContact OD1-NH2 2.93Å; D615-R668 IonicContact OD2-CZ 3.51Å; D615-R668 IonicContact OD2-NH1 2.77Å; D615-R668 PolarHBondContact OD2-NH1 3.48Å; D615-R668 IonicContact OD2-NH2 2.99Å; D615-R668 PolarHBondContact OD2-NH2 3.45Å
616	I	89.7	Confident	91.8	Very high	44 Å²	44	32.7 Å²	32.7	23%	0.226	19%	0.188	C	C	.	.	H	α-helix	trans	-54	-46.2	-173.5	-54	-58.2	0	0	0	112.8	A537 L614 T620	A537-I616 HydrophobicContact CB-CG1 4.37Å; L614-I616 PolarHBondContact O-N 3.38Å; I616-T620 VanDerWaalsContact O-CB 3.23Å; I616-T620 WeakPolarHBondContact O-CB 3.33Å; I616-T620 PolarHBondContact O-N 3.05Å; I616-T620 PolarHBondContact O-OG1 2.94Å
617	P	90.4	Very high	91.8	Very high	30 Å²	30	31.4 Å²	31.4	20%	0.195	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-45.8	174.6	-25.9	35.3	0	0	0	114	D615 S621	D615-P617 WeakPolarHBondContact OD1-CD 3.08Å; P617-S621 VanDerWaalsContact O-CB 3.3Å; P617-S621 WeakPolarHBondContact O-CB 3.5Å; P617-S621 PolarHBondContact O-N 3.33Å; P617-S621 PolarHBondContact O-OG 3.41Å
618	F	93.4	Very high	92	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-52.3	177.5	165.6	-102.1	0	0	0	111.3	P612 D615 T620 S621 C622 I626 L645 M648 E665 L666 I669	P612-F618 HydrophobicContact CB-CD1 4.18Å; P612-F618 HydrophobicContact CB-CE1 3.74Å; D615-F618 HydrophobicContact CB-CB 3.83Å; D615-F618 HydrophobicContact CB-CD1 4.42Å; D615-F618 VanDerWaalsContact CG-CB 3.49Å; D615-F618 PolarHBondContact O-N 2.82Å; D615-F618 VanDerWaalsContact O-N 3.11Å; D615-F618 WeakPolarHBondContact OD1-CB 3.33Å; D615-F618 PolarHBondContact OD1-N 3.41Å; D615-F618 VanDerWaalsContact OD1-N 3.16Å; F618-T620 VanDerWaalsContact C-N 3.33Å; F618-T620 PolarHBondContact O-N 2.82Å; F618-S621 PolarHBondContact O-N 3.09Å; F618-C622 HydrophobicContact CD2-CB 4.26Å; F618-C622 VanDerWaalsContact CD2-SG 3.58Å; F618-C622 HydrophobicContact CE2-CB 3.98Å; F618-C622 WeakPolarHBondContact CE2-SG 3.45Å; F618-C622 HydrophobicContact CZ-CB 4.29Å; F618-C622 WeakPolarHBondContact O-CB 3.33Å; F618-C622 PolarHBondContact O-N 2.94Å; F618-I626 HydrophobicContact CE1-CD1 4.05Å; F618-I626 HydrophobicContact CZ-CD1 4.15Å; F618-L645 HydrophobicContact CZ-CD1 4.31Å; F618-M648 HydrophobicContact CZ-CG 4.25Å; F618-E665 HydrophobicContact CB-CB 4.2Å; F618-E665 HydrophobicContact CD2-CB 4.12Å; F618-L666 HydrophobicContact CD2-CD2 4.44Å; F618-L666 HydrophobicContact CE2-CD2 3.65Å; F618-L666 HydrophobicContact CE2-CG 3.95Å; F618-L666 HydrophobicContact CZ-CD2 4.41Å; F618-I669 HydrophobicContact CB-CD1 4.12Å; F618-I669 HydrophobicContact CD1-CD1 4.44Å; F618-I669 HydrophobicContact CD2-CD1 3.61Å; F618-I669 HydrophobicContact CE2-CD1 4.12Å; F618-I669 HydrophobicContact CG-CD1 3.79Å
619	H	91.7	Very high	92.1	Very high	44 Å²	44	37 Å²	37	20%	0.204	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-43.5	-177.5	-178	-109	0	0	0	111.1	D615 K623	D615-H619 WeakPolarHBondContact O-CB 3.33Å; D615-H619 PolarHBondContact O-N 3.34Å; H619-K623 WeakPolarHBondContact O-CA 3.46Å; H619-K623 VanDerWaalsContact O-CB 3.26Å; H619-K623 WeakPolarHBondContact O-CB 3.32Å; H619-K623 PolarHBondContact O-N 3.14Å
620	T	90.5	Very high	92.2	Very high	98 Å²	98	36.6 Å²	36.6	60%	0.601	20%	0.199	S	C	*	.	H	α-helix	trans	-63.5	-45.7	177.8	-54.7	0	0	0	0	111.7	I616 F618	I616-T620 VanDerWaalsContact O-CB 3.23Å; I616-T620 WeakPolarHBondContact O-CB 3.33Å; I616-T620 PolarHBondContact O-N 3.05Å; I616-T620 PolarHBondContact O-OG1 2.94Å; F618-T620 VanDerWaalsContact C-N 3.33Å; F618-T620 PolarHBondContact O-N 2.82Å
621	S	93.5	Very high	92.2	Very high	39 Å²	39	37.2 Å²	37.2	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-73.5	-31.7	-177.5	-54.6	0	0	0	0	112.8	P617 F618	P617-S621 VanDerWaalsContact O-CB 3.3Å; P617-S621 WeakPolarHBondContact O-CB 3.5Å; P617-S621 PolarHBondContact O-N 3.33Å; P617-S621 PolarHBondContact O-OG 3.41Å; F618-S621 PolarHBondContact O-N 3.09Å
622	C	95.3	Very high	91.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-100.6	-5.3	-175.5	-70.7	0	0	0	0	114.5	F618 A624 E625 I626 M648 C662	F618-C622 HydrophobicContact CD2-CB 4.26Å; F618-C622 VanDerWaalsContact CD2-SG 3.58Å; F618-C622 HydrophobicContact CE2-CB 3.98Å; F618-C622 WeakPolarHBondContact CE2-SG 3.45Å; F618-C622 HydrophobicContact CZ-CB 4.29Å; F618-C622 WeakPolarHBondContact O-CB 3.33Å; F618-C622 PolarHBondContact O-N 2.94Å; C622-A624 PolarHBondContact O-N 2.91Å; C622-E625 CarbonylContact O-C 3.29Å; C622-E625 WeakPolarHBondContact O-CA 3.5Å; C622-E625 WeakPolarHBondContact O-CB 3.49Å; C622-E625 PolarHBondContact O-N 3.49Å; C622-I626 HydrophobicContact CB-CD1 3.8Å; C622-I626 HydrophobicContact CB-CG1 4.05Å; C622-I626 WeakPolarHBondContact O-CG1 3.36Å; C622-I626 PolarHBondContact O-N 3.24Å; C622-M648 HydrophobicContact CB-CE 4.01Å; C622-C662 VanDerWaalsContact CA-SG 3.5Å; C622-C662 HydrophobicContact CB-CB 3.98Å; C622-C662 WeakPolarHBondContact CB-SG 3.28Å; C622-C662 WeakPolarHBondContact SG-CA 3.47Å; C622-C662 WeakPolarHBondContact SG-CB 3.29Å; C622-C662 CovalentContact SG-SG 2.04Å; C622-C662 PolarHBondContact SG-SG 3.24Å
623	K	93.4	Very high	91.2	Very high	98 Å²	98	44 Å²	44	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-47	-54.1	-172.8	-178.5	166.1	176.1	47.2	0	113.5	H619 E625 I626 D627	H619-K623 WeakPolarHBondContact O-CA 3.46Å; H619-K623 VanDerWaalsContact O-CB 3.26Å; H619-K623 WeakPolarHBondContact O-CB 3.32Å; H619-K623 PolarHBondContact O-N 3.14Å; K623-E625 VanDerWaalsContact C-N 3.28Å; K623-E625 PolarHBondContact O-N 3.38Å; K623-I626 PolarHBondContact O-N 2.85Å; K623-D627 IonicContact NZ-OD1 3.95Å; K623-D627 IonicContact NZ-OD2 3.01Å; K623-D627 PolarHBondContact NZ-OD2 3.03Å; K623-D627 VanDerWaalsContact NZ-OD2 3.14Å; K623-D627 WeakPolarHBondContact O-CB 3.49Å; K623-D627 VanDerWaalsContact O-CG 3.29Å; K623-D627 PolarHBondContact O-N 3.01Å
624	A	94.3	Very high	90.2	Very high	76 Å²	76	47.7 Å²	47.7	63%	0.628	25%	0.252	S	S	*	.	H	α-helix	trans	-63.3	-33.6	-178.9	0	0	0	0	0	113	C622 R628	C622-A624 PolarHBondContact O-N 2.91Å; A624-R628 WeakPolarHBondContact O-CB 3.42Å; A624-R628 PolarHBondContact O-N 3.19Å; A624-R628 VanDerWaalsContact O-N 3.17Å
625	E	94.9	Very high	88.8	Confident	13 Å²	13	54.1 Å²	54.1	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-75.4	-38.3	176.7	-69.1	-75.4	-162.1	0	0	111.6	C622 K623 R628 L629 M648 I657 V658 D659	C622-E625 CarbonylContact O-C 3.29Å; C622-E625 WeakPolarHBondContact O-CA 3.5Å; C622-E625 WeakPolarHBondContact O-CB 3.49Å; C622-E625 PolarHBondContact O-N 3.49Å; K623-E625 VanDerWaalsContact C-N 3.28Å; K623-E625 PolarHBondContact O-N 3.38Å; E625-R628 PolarHBondContact O-N 2.96Å; E625-R628 IonicContact OE1-NH2 3.45Å; E625-R628 IonicContact OE2-CZ 3.02Å; E625-R628 VanDerWaalsContact OE2-CZ 3.31Å; E625-R628 IonicContact OE2-NE 2.9Å; E625-R628 PolarHBondContact OE2-NE 3.3Å; E625-R628 VanDerWaalsContact OE2-NE 3.11Å; E625-R628 IonicContact OE2-NH2 2.79Å; E625-R628 PolarHBondContact OE2-NH2 3.13Å; E625-L629 VanDerWaalsContact O-CB 3.22Å; E625-L629 WeakPolarHBondContact O-CB 3.49Å; E625-L629 PolarHBondContact O-N 3.37Å; E625-L629 WeakPolarHBondContact OE2-CD1 3.4Å; E625-M648 HydrophobicContact CB-CE 3.95Å; E625-I657 HydrophobicContact CG-CG2 4.27Å; E625-V658 WeakPolarHBondContact OE1-CA 3.28Å; E625-V658 WeakPolarHBondContact OE1-CB 3.16Å; E625-V658 PolarHBondContact OE1-N 2.99Å; E625-D659 HydrophobicContact CG-CB 4.23Å; E625-D659 PolarHBondContact OE1-N 2.99Å
626	I	93.5	Very high	86.9	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-50.5	175.1	-64.5	163.5	0	0	0	109.6	F618 C622 K623 R628 L629 C630 S631 Y634 I644 M648	F618-I626 HydrophobicContact CE1-CD1 4.05Å; F618-I626 HydrophobicContact CZ-CD1 4.15Å; C622-I626 HydrophobicContact CB-CD1 3.8Å; C622-I626 HydrophobicContact CB-CG1 4.05Å; C622-I626 WeakPolarHBondContact O-CG1 3.36Å; C622-I626 PolarHBondContact O-N 3.24Å; K623-I626 PolarHBondContact O-N 2.85Å; I626-R628 PolarHBondContact O-N 3Å; I626-L629 PolarHBondContact O-N 3Å; I626-C630 HydrophobicContact CG2-CB 4.38Å; I626-C630 CarbonylContact O-C 3.16Å; I626-C630 VanDerWaalsContact O-C 3.26Å; I626-C630 WeakPolarHBondContact O-CA 3.43Å; I626-C630 PolarHBondContact O-N 3.39Å; I626-S631 PolarHBondContact O-N 3.44Å; I626-Y634 HydrophobicContact CG2-CE2 3.75Å; I626-Y634 VanDerWaalsContact CG2-OH 3.24Å; I626-Y634 WeakPolarHBondContact CG2-OH 3.33Å; I626-I644 HydrophobicContact CD1-CG2 3.96Å; I626-I644 HydrophobicContact CG1-CG2 4.03Å; I626-I644 HydrophobicContact CG2-CG2 3.89Å; I626-M648 HydrophobicContact CG1-CE 4.07Å; I626-M648 HydrophobicContact CG1-CG 4.06Å; I626-M648 HydrophobicContact CG1-SD 3.8Å
627	D	92.6	Very high	84.7	Confident	71 Å²	71	61.5 Å²	61.5	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-33.5	179.1	-69.5	-23.9	0	0	0	111.5	K623 S631	K623-D627 IonicContact NZ-OD1 3.95Å; K623-D627 IonicContact NZ-OD2 3.01Å; K623-D627 PolarHBondContact NZ-OD2 3.03Å; K623-D627 VanDerWaalsContact NZ-OD2 3.14Å; K623-D627 WeakPolarHBondContact O-CB 3.49Å; K623-D627 VanDerWaalsContact O-CG 3.29Å; K623-D627 PolarHBondContact O-N 3.01Å; D627-S631 WeakPolarHBondContact O-CB 3.37Å
628	R	94.4	Very high	82.5	Confident	138 Å²	138	71.2 Å²	71.2	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-85.4	-39.3	-178.6	-173.1	-175.7	71.9	91.1	-7.6	114.4	A624 E625 I626 R656	A624-R628 WeakPolarHBondContact O-CB 3.42Å; A624-R628 PolarHBondContact O-N 3.19Å; A624-R628 VanDerWaalsContact O-N 3.17Å; E625-R628 PolarHBondContact O-N 2.96Å; E625-R628 IonicContact OE1-NH2 3.45Å; E625-R628 IonicContact OE2-CZ 3.02Å; E625-R628 VanDerWaalsContact OE2-CZ 3.31Å; E625-R628 IonicContact OE2-NE 2.9Å; E625-R628 PolarHBondContact OE2-NE 3.3Å; E625-R628 VanDerWaalsContact OE2-NE 3.11Å; E625-R628 IonicContact OE2-NH2 2.79Å; E625-R628 PolarHBondContact OE2-NH2 3.13Å; I626-R628 PolarHBondContact O-N 3Å; R628-R656 PolarHBondContact NH2-O 3.19Å
629	L	94.1	Very high	80.3	Confident	19 Å²	19	73.4 Å²	73.4	10%	0.099	39%	0.391	C	S	.	.	H	α-helix	trans	-109.3	-21	-168.2	-65.2	177.9	0	0	0	114.1	E625 I626 R651 R656 I657	E625-L629 VanDerWaalsContact O-CB 3.22Å; E625-L629 WeakPolarHBondContact O-CB 3.49Å; E625-L629 PolarHBondContact O-N 3.37Å; E625-L629 WeakPolarHBondContact OE2-CD1 3.4Å; I626-L629 PolarHBondContact O-N 3Å; L629-R651 HydrophobicContact CB-CG 4.14Å; L629-R651 HydrophobicContact CD1-CB 4.09Å; L629-R651 HydrophobicContact CD1-CG 4.18Å; L629-R656 HydrophobicContact CD1-CB 4.34Å; L629-I657 HydrophobicContact CD1-CG1 4.38Å
630	C	92.2	Very high	78.6	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.02	40%	0.402	C	S	.	.			trans	-136.2	20.2	-167.7	-66.8	0	0	0	0	112.8	I626 E632 S633 C647 M648	I626-C630 HydrophobicContact CG2-CB 4.38Å; I626-C630 CarbonylContact O-C 3.16Å; I626-C630 VanDerWaalsContact O-C 3.26Å; I626-C630 WeakPolarHBondContact O-CA 3.43Å; I626-C630 PolarHBondContact O-N 3.39Å; C630-E632 PolarHBondContact O-N 3.37Å; C630-S633 WeakPolarHBondContact O-CA 3.49Å; C630-S633 WeakPolarHBondContact O-CB 3.35Å; C630-S633 PolarHBondContact O-N 3.31Å; C630-S633 PolarHBondContact O-OG 3.42Å; C630-S633 VanDerWaalsContact O-OG 3.05Å; C630-C647 VanDerWaalsContact CA-SG 3.52Å; C630-C647 HydrophobicContact CB-CB 3.82Å; C630-C647 WeakPolarHBondContact CB-SG 3.11Å; C630-C647 WeakPolarHBondContact SG-CB 3.29Å; C630-C647 CovalentContact SG-SG 2.04Å; C630-C647 PolarHBondContact SG-SG 3.04Å; C630-M648 HydrophobicContact CB-SD 4.39Å; C630-M648 VanDerWaalsContact SG-SD 3.61Å
631	S	85.9	Confident	77.6	Confident	62 Å²	62	71.1 Å²	71.1	43%	0.434	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-56.5	-34.2	-177.9	54.3	0	0	0	0	114.1	I626 D627 S633 Y634	I626-S631 PolarHBondContact O-N 3.44Å; D627-S631 WeakPolarHBondContact O-CB 3.37Å; S631-S633 PolarHBondContact O-N 2.87Å; S631-Y634 WeakPolarHBondContact O-CB 3.08Å; S631-Y634 WeakPolarHBondContact O-CD2 3.49Å; S631-Y634 PolarHBondContact O-N 3.44Å
632	E	82.6	Confident	76.5	Confident	148 Å²	148	73 Å²	73	69%	0.692	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26	174.6	-66.3	177.3	-179.6	0	0	112.6	C630 Y634 L635 V636	C630-E632 PolarHBondContact O-N 3.37Å; E632-Y634 PolarHBondContact O-N 2.93Å; E632-L635 PolarHBondContact O-N 3.4Å; E632-V636 WeakPolarHBondContact O-CG2 3.38Å; E632-V636 PolarHBondContact O-N 2.79Å; E632-V636 VanDerWaalsContact O-N 3.14Å
633	S	77	Confident	75.9	Confident	18 Å²	18	74.1 Å²	74.1	13%	0.126	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-68.2	-15.8	179.9	-47.8	0	0	0	0	112.7	C630 S631	C630-S633 WeakPolarHBondContact O-CA 3.49Å; C630-S633 WeakPolarHBondContact O-CB 3.35Å; C630-S633 PolarHBondContact O-N 3.31Å; C630-S633 PolarHBondContact O-OG 3.42Å; C630-S633 VanDerWaalsContact O-OG 3.05Å; S631-S633 PolarHBondContact O-N 2.87Å
634	Y	70.5	Confident	75.7	Confident	81 Å²	81	69.5 Å²	69.5	32%	0.318	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-74.5	-26.5	169.8	-68.7	-69.9	0	0	0	112.6	I626 S631 E632 I644	I626-Y634 HydrophobicContact CG2-CE2 3.75Å; I626-Y634 VanDerWaalsContact CG2-OH 3.24Å; I626-Y634 WeakPolarHBondContact CG2-OH 3.33Å; S631-Y634 WeakPolarHBondContact O-CB 3.08Å; S631-Y634 WeakPolarHBondContact O-CD2 3.49Å; S631-Y634 PolarHBondContact O-N 3.44Å; E632-Y634 PolarHBondContact O-N 2.93Å; Y634-I644 HydrophobicContact CD1-CD1 4.02Å; Y634-I644 HydrophobicContact CE1-CD1 3.63Å
635	L	62.9	Low	75.6	Confident	148 Å²	148	66 Å²	66	78%	0.775	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-27	-170.8	-60.2	175.5	0	0	0	112.7	E632 N637	E632-L635 PolarHBondContact O-N 3.4Å; L635-N637 PolarHBondContact O-N 3.25Å
636	V	51.9	Low	75.4	Confident	89 Å²	89	67.4 Å²	67.4	54%	0.539	36%	0.355	S	S	.	.	S	Bend	trans	-95.8	86.2	-172.1	-174.6	0	0	0	0	109.3	E632	E632-V636 WeakPolarHBondContact O-CG2 3.38Å; E632-V636 PolarHBondContact O-N 2.79Å; E632-V636 VanDerWaalsContact O-N 3.14Å
637	N	44.4	Very low	75.3	Confident	115 Å²	115	68.3 Å²	68.3	62%	0.615	36%	0.361	S	S	*	.			trans	147.8	136.9	144.3	-74.4	-39.7	0	0	0	109.8	L635 G639 G640	L635-N637 PolarHBondContact O-N 3.25Å; N637-G639 PolarHBondContact O-N 3.5Å; N637-G640 PolarHBondContact O-N 3.07Å
638	K	43.9	Very low	75.4	Confident	234 Å²	234	64.9 Å²	64.9	100%	1.017	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	17.5	164.2	-73.2	-174.9	171.7	-175.9	0	113.6
639	G	47.8	Very low	75.4	Confident	46 Å²	46	58.5 Å²	58.5	47%	0.474	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	26.4	-176.8	0	0	0	0	0	113.5	N637	N637-G639 PolarHBondContact O-N 3.5Å
640	G	55.3	Low	75.3	Confident	43 Å²	43	59.5 Å²	59.5	44%	0.443	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-164.6	163.7	0	0	0	0	0	116.2	N637 R642	N637-G640 PolarHBondContact O-N 3.07Å; G640-R642 PolarHBondContact O-N 3.44Å
641	H	68.9	Low	75.4	Confident	52 Å²	52	62.2 Å²	62.2	24%	0.241	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	4.5	-172.6	-58.9	152.6	0	0	0	115.9	D611 P612 T613 G643 I644	D611-H641 WeakPolarHBondContact OD1-CB 3.39Å; D611-H641 IonicContact OD1-CE1 2.57Å; D611-H641 IonicContact OD1-CG 2.7Å; D611-H641 IonicContact OD1-ND1 3.92Å; D611-H641 PolarHBondContact OD1-ND1 3.13Å; D611-H641 IonicContact OD2-ND1 3.68Å; D611-H641 PolarHBondContact OD2-ND1 3.23Å; P612-H641 VanDerWaalsContact CD-O 3.27Å; P612-H641 WeakPolarHBondContact CD-O 3.44Å; T613-H641 HydrophobicContact CG2-CB 4.24Å; T613-H641 WeakPolarHBondContact CG2-ND1 3.24Å; T613-H641 PolarHBondContact OG1-CE1 3.12Å; T613-H641 PolarHBondContact OG1-ND1 3.33Å; H641-G643 PolarHBondContact O-N 3.38Å; H641-G643 VanDerWaalsContact O-N 3.09Å; H641-I644 HydrophobicContact CB-CD1 3.8Å; H641-I644 HydrophobicContact CB-CG1 4.44Å; H641-I644 WeakPolarHBondContact O-CB 3.43Å; H641-I644 WeakPolarHBondContact O-CG1 3.16Å; H641-I644 PolarHBondContact O-N 3.11Å
642	R	71.3	Confident	75.8	Confident	78 Å²	78	60.9 Å²	60.9	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-28.4	-175.2	-166.8	173.3	179.8	162.5	1.5	114.5	V610 G640	V610-R642 WeakPolarHBondContact O-CA 3.34Å; V610-R642 PolarHBondContact O-N 2.89Å; G640-R642 PolarHBondContact O-N 3.44Å
643	G	81.6	Confident	76.3	Confident	23 Å²	23	56.9 Å²	56.9	24%	0.237	31%	0.307	C	S	.	.	H	α-helix	trans	-78.8	-19.9	178.6	0	0	0	0	0	114.7	H641 L645 E646 C647	H641-G643 PolarHBondContact O-N 3.38Å; H641-G643 VanDerWaalsContact O-N 3.09Å; G643-L645 VanDerWaalsContact C-N 3.34Å; G643-L645 PolarHBondContact O-N 2.83Å; G643-E646 PolarHBondContact O-N 2.93Å; G643-C647 PolarHBondContact O-N 3.48Å
644	I	90.1	Very high	77.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-46.7	-173.8	-64.9	178.3	0	0	0	110.1	P612 T613 I626 Y634 H641 C647 M648	P612-I644 HydrophobicContact CG-CB 4.32Å; T613-I644 HydrophobicContact CG2-CD1 4.33Å; I626-I644 HydrophobicContact CD1-CG2 3.96Å; I626-I644 HydrophobicContact CG1-CG2 4.03Å; I626-I644 HydrophobicContact CG2-CG2 3.89Å; Y634-I644 HydrophobicContact CD1-CD1 4.02Å; Y634-I644 HydrophobicContact CE1-CD1 3.63Å; H641-I644 HydrophobicContact CB-CD1 3.8Å; H641-I644 HydrophobicContact CB-CG1 4.44Å; H641-I644 WeakPolarHBondContact O-CB 3.43Å; H641-I644 WeakPolarHBondContact O-CG1 3.16Å; H641-I644 PolarHBondContact O-N 3.11Å; I644-C647 PolarHBondContact O-N 2.03Å; I644-M648 HydrophobicContact CG2-CG 4.28Å; I644-M648 WeakPolarHBondContact O-CB 3.43Å; I644-M648 VanDerWaalsContact O-CG 3.23Å; I644-M648 WeakPolarHBondContact O-CG 3.36Å; I644-M648 PolarHBondContact O-N 3.39Å
645	L	91.3	Very high	78.1	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-67.4	-41.2	-176	-174.3	62.8	0	0	0	112.3	E609 P612 F618 G643 M648 K649 L666 I669	E609-L645 VanDerWaalsContact CD-CD2 3.43Å; E609-L645 WeakPolarHBondContact OE1-CD2 3.29Å; E609-L645 VanDerWaalsContact OE2-CD2 3.31Å; E609-L645 WeakPolarHBondContact OE2-CD2 3.39Å; P612-L645 HydrophobicContact CG-CB 3.81Å; F618-L645 HydrophobicContact CZ-CD1 4.31Å; G643-L645 VanDerWaalsContact C-N 3.34Å; G643-L645 PolarHBondContact O-N 2.83Å; L645-M648 PolarHBondContact O-N 3.47Å; L645-K649 HydrophobicContact CG-CD 4.27Å; L645-K649 WeakPolarHBondContact O-CB 3.42Å; L645-K649 VanDerWaalsContact O-CG 3.29Å; L645-K649 WeakPolarHBondContact O-CG 3.48Å; L645-K649 PolarHBondContact O-N 3.16Å; L645-L666 HydrophobicContact CD1-CD2 3.99Å; L645-I669 HydrophobicContact CD1-CD1 3.88Å; L645-I669 HydrophobicContact CD1-CG2 4.05Å; L645-I669 HydrophobicContact CD2-CG2 3.91Å
646	E	90.4	Very high	79.7	Confident	42 Å²	42	60.8 Å²	60.8	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-41.3	175.2	-69.9	-53	118.6	0	0	112.2	G643 K649 A650 M682 R731	G643-E646 PolarHBondContact O-N 2.93Å; E646-K649 PolarHBondContact O-N 3.2Å; E646-K649 IonicContact OE1-NZ 3.12Å; E646-K649 PolarHBondContact OE1-NZ 3.23Å; E646-A650 PolarHBondContact O-N 2.95Å; E646-M682 HydrophobicContact CG-CG 4.22Å; E646-R731 IonicContact OE1-CZ 3.47Å; E646-R731 IonicContact OE1-NH1 2.63Å; E646-R731 PolarHBondContact OE1-NH1 3.25Å; E646-R731 IonicContact OE1-NH2 2.69Å; E646-R731 PolarHBondContact OE1-NH2 2.8Å; E646-R731 IonicContact OE2-CZ 3.4Å; E646-R731 IonicContact OE2-NH1 3.95Å; E646-R731 PolarHBondContact OE2-NH1 3.2Å; E646-R731 IonicContact OE2-NH2 3.71Å; E646-R731 PolarHBondContact OE2-NH2 3.15Å; E646-R731 VanDerWaalsContact OE2-NH2 3.14Å
647	C	93.3	Very high	81.6	Confident	19 Å²	19	56.7 Å²	56.7	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-50	173	179.9	0	0	0	0	110.5	C630 G643 I644 K649 A650 R651	C630-C647 VanDerWaalsContact CA-SG 3.52Å; C630-C647 HydrophobicContact CB-CB 3.82Å; C630-C647 WeakPolarHBondContact CB-SG 3.11Å; C630-C647 WeakPolarHBondContact SG-CB 3.29Å; C630-C647 CovalentContact SG-SG 2.04Å; C630-C647 PolarHBondContact SG-SG 3.04Å; G643-C647 PolarHBondContact O-N 3.48Å; I644-C647 PolarHBondContact O-N 2.03Å; C647-K649 PolarHBondContact O-N 3.35Å; C647-A650 WeakPolarHBondContact O-CB 3.48Å; C647-A650 PolarHBondContact O-N 3.33Å; C647-A650 VanDerWaalsContact O-N 3.13Å; C647-R651 WeakPolarHBondContact O-CG 3.32Å; C647-R651 PolarHBondContact O-N 3.4Å
648	M	94.6	Very high	84	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-39.5	-178.9	-68.7	-63	-71	0	0	112.6	F618 C622 E625 I626 C630 I644 L645 A650 R651 Y652 I657 C662 L666	F618-M648 HydrophobicContact CZ-CG 4.25Å; C622-M648 HydrophobicContact CB-CE 4.01Å; E625-M648 HydrophobicContact CB-CE 3.95Å; I626-M648 HydrophobicContact CG1-CE 4.07Å; I626-M648 HydrophobicContact CG1-CG 4.06Å; I626-M648 HydrophobicContact CG1-SD 3.8Å; C630-M648 HydrophobicContact CB-SD 4.39Å; C630-M648 VanDerWaalsContact SG-SD 3.61Å; I644-M648 HydrophobicContact CG2-CG 4.28Å; I644-M648 WeakPolarHBondContact O-CB 3.43Å; I644-M648 VanDerWaalsContact O-CG 3.23Å; I644-M648 WeakPolarHBondContact O-CG 3.36Å; I644-M648 PolarHBondContact O-N 3.39Å; L645-M648 PolarHBondContact O-N 3.47Å; M648-A650 PolarHBondContact O-N 3.11Å; M648-R651 PolarHBondContact O-N 2.95Å; M648-Y652 WeakPolarHBondContact O-CB 3.13Å; M648-Y652 PolarHBondContact O-N 3.37Å; M648-I657 HydrophobicContact CE-CD1 3.93Å; M648-C662 WeakPolarHBondContact CE-SG 3.28Å; M648-L666 HydrophobicContact CB-CD1 4.31Å; M648-L666 HydrophobicContact CB-CD2 3.91Å; M648-L666 HydrophobicContact CE-CD1 4.26Å
649	K	93.1	Very high	86.4	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-43.2	171.9	-73.1	168.2	-178.4	165.8	0	111.7	E609 L645 E646 C647 Y652 M653 E673 L734	E609-K649 IonicContact OE2-NZ 3.49Å; L645-K649 HydrophobicContact CG-CD 4.27Å; L645-K649 WeakPolarHBondContact O-CB 3.42Å; L645-K649 VanDerWaalsContact O-CG 3.29Å; L645-K649 WeakPolarHBondContact O-CG 3.48Å; L645-K649 PolarHBondContact O-N 3.16Å; E646-K649 PolarHBondContact O-N 3.2Å; E646-K649 IonicContact OE1-NZ 3.12Å; E646-K649 PolarHBondContact OE1-NZ 3.23Å; C647-K649 PolarHBondContact O-N 3.35Å; K649-Y652 WeakPolarHBondContact O-CB 3.31Å; K649-Y652 PolarHBondContact O-N 3.31Å; K649-M653 WeakPolarHBondContact O-CG 3.05Å; K649-M653 PolarHBondContact O-N 3.17Å; K649-E673 WeakPolarHBondContact CE-OE1 3.4Å; K649-E673 WeakPolarHBondContact CE-OE2 3.44Å; K649-E673 VanDerWaalsContact NZ-CD 3.29Å; K649-E673 IonicContact NZ-OE1 2.68Å; K649-E673 PolarHBondContact NZ-OE1 3.27Å; K649-E673 IonicContact NZ-OE2 2.95Å; K649-E673 PolarHBondContact NZ-OE2 3.35Å; K649-L734 HydrophobicContact CB-CD1 4.39Å; K649-L734 HydrophobicContact CB-CD2 4.1Å; K649-L734 HydrophobicContact CD-CD2 3.93Å; K649-L734 HydrophobicContact CG-CD2 4Å
650	A	93	Very high	88.6	Confident	40 Å²	40	49.3 Å²	49.3	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-44	175.5	0	0	0	0	0	111.8	E646 C647 M648 Y652 M653 E654	E646-A650 PolarHBondContact O-N 2.95Å; C647-A650 WeakPolarHBondContact O-CB 3.48Å; C647-A650 PolarHBondContact O-N 3.33Å; C647-A650 VanDerWaalsContact O-N 3.13Å; M648-A650 PolarHBondContact O-N 3.11Å; A650-Y652 VanDerWaalsContact C-N 3.31Å; A650-Y652 PolarHBondContact O-N 3.32Å; A650-M653 WeakPolarHBondContact O-CB 3.45Å; A650-M653 PolarHBondContact O-N 3.36Å; A650-M653 VanDerWaalsContact O-N 3.1Å; A650-E654 WeakPolarHBondContact O-CG 3.06Å; A650-E654 PolarHBondContact O-N 3.41Å
651	R	94.6	Very high	90.4	Very high	60 Å²	60	49.1 Å²	49.1	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-31.7	176.6	-57.6	-49.7	162.5	-157.4	-6.2	113.1	L629 C647 M648 E654 N655 R656 I657	L629-R651 HydrophobicContact CB-CG 4.14Å; L629-R651 HydrophobicContact CD1-CB 4.09Å; L629-R651 HydrophobicContact CD1-CG 4.18Å; C647-R651 WeakPolarHBondContact O-CG 3.32Å; C647-R651 PolarHBondContact O-N 3.4Å; M648-R651 PolarHBondContact O-N 2.95Å; R651-E654 WeakPolarHBondContact CD-OE2 3.38Å; R651-E654 IonicContact CZ-OE1 2.96Å; R651-E654 IonicContact CZ-OE2 2.94Å; R651-E654 IonicContact NE-OE2 2.76Å; R651-E654 IonicContact NH1-OE1 2.79Å; R651-E654 PolarHBondContact NH1-OE1 2.98Å; R651-E654 IonicContact NH1-OE2 2.87Å; R651-E654 PolarHBondContact NH1-OE2 3.23Å; R651-E654 PolarHBondContact O-N 3.01Å; R651-N655 PolarHBondContact O-N 2.85Å; R651-R656 HydrophobicContact CB-CB 4.29Å; R651-R656 PolarHBondContact O-N 3.23Å; R651-I657 HydrophobicContact CB-CD1 4.46Å; R651-I657 HydrophobicContact CB-CG1 4.06Å
652	Y	94.3	Very high	91.7	Very high	34 Å²	34	46.7 Å²	46.7	13%	0.133	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-43.3	169.9	-176.1	-88.8	0	0	0	111.1	M648 K649 A650 E654 N655 I657 K663 L666 V667 M670 L734 K737 A738	M648-Y652 WeakPolarHBondContact O-CB 3.13Å; M648-Y652 PolarHBondContact O-N 3.37Å; K649-Y652 WeakPolarHBondContact O-CB 3.31Å; K649-Y652 PolarHBondContact O-N 3.31Å; A650-Y652 VanDerWaalsContact C-N 3.31Å; A650-Y652 PolarHBondContact O-N 3.32Å; Y652-E654 VanDerWaalsContact C-N 3.34Å; Y652-E654 PolarHBondContact O-N 3.09Å; Y652-N655 PolarHBondContact O-N 3.5Å; Y652-N655 VanDerWaalsContact O-N 3.17Å; Y652-I657 HydrophobicContact CD2-CD1 4.36Å; Y652-K663 HydrophobicContact CD2-CG 4.33Å; Y652-K663 HydrophobicContact CE2-CB 4.3Å; Y652-K663 HydrophobicContact CE2-CG 4.17Å; Y652-L666 HydrophobicContact CD2-CB 4.41Å; Y652-L666 HydrophobicContact CD2-CD1 4.23Å; Y652-V667 HydrophobicContact CE2-CG2 4.11Å; Y652-V667 WeakPolarHBondContact OH-CG2 2.96Å; Y652-M670 HydrophobicContact CD1-CE 3.88Å; Y652-M670 HydrophobicContact CD2-CE 4.27Å; Y652-M670 HydrophobicContact CE1-CE 3.86Å; Y652-M670 HydrophobicContact CE2-CE 4.23Å; Y652-M670 HydrophobicContact CG-CE 4.1Å; Y652-L734 HydrophobicContact CD1-CD1 4.34Å; Y652-K737 HydrophobicContact CD1-CD 4.44Å; Y652-K737 HydrophobicContact CE1-CD 4.14Å; Y652-K737 HydrophobicContact CE1-CG 4.25Å; Y652-K737 PolarHBondContact O-NZ 3.46Å; Y652-A738 HydrophobicContact CE1-CB 4.34Å
653	M	91.8	Very high	92.9	Very high	64 Å²	64	46.6 Å²	46.6	32%	0.315	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-38.6	175.8	-74.2	-57	-66.3	0	0	112.8	K649 A650 N655 I733 L734 K737	K649-M653 WeakPolarHBondContact O-CG 3.05Å; K649-M653 PolarHBondContact O-N 3.17Å; A650-M653 WeakPolarHBondContact O-CB 3.45Å; A650-M653 PolarHBondContact O-N 3.36Å; A650-M653 VanDerWaalsContact O-N 3.1Å; M653-N655 PolarHBondContact O-N 3.33Å; M653-I733 HydrophobicContact CE-CB 4.46Å; M653-I733 HydrophobicContact CE-CG2 3.49Å; M653-I733 VanDerWaalsContact CE-CG2 3.49Å; M653-L734 HydrophobicContact CG-CD1 3.5Å; M653-L734 VanDerWaalsContact CG-CD1 3.5Å; M653-L734 HydrophobicContact SD-CB 4.32Å; M653-L734 HydrophobicContact SD-CD1 3.59Å; M653-L734 VanDerWaalsContact SD-CD1 3.59Å; M653-K737 HydrophobicContact CE-CD 4.15Å; M653-K737 PolarHBondContact O-NZ 3.49Å; M653-K737 HydrophobicContact SD-CB 4.13Å; M653-K737 HydrophobicContact SD-CD 3.54Å; M653-K737 VanDerWaalsContact SD-CD 3.54Å; M653-K737 HydrophobicContact SD-CG 4.48Å
654	E	93.8	Very high	93.4	Very high	95 Å²	95	51.8 Å²	51.8	44%	0.444	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.6	176.1	-65.9	167.7	-166.6	0	0	114.1	A650 R651 Y652 R656	A650-E654 WeakPolarHBondContact O-CG 3.06Å; A650-E654 PolarHBondContact O-N 3.41Å; R651-E654 WeakPolarHBondContact CD-OE2 3.38Å; R651-E654 IonicContact CZ-OE1 2.96Å; R651-E654 IonicContact CZ-OE2 2.94Å; R651-E654 IonicContact NE-OE2 2.76Å; R651-E654 IonicContact NH1-OE1 2.79Å; R651-E654 PolarHBondContact NH1-OE1 2.98Å; R651-E654 IonicContact NH1-OE2 2.87Å; R651-E654 PolarHBondContact NH1-OE2 3.23Å; R651-E654 PolarHBondContact O-N 3.01Å; Y652-E654 VanDerWaalsContact C-N 3.34Å; Y652-E654 PolarHBondContact O-N 3.09Å; E654-R656 HydrophobicContact CB-CG 3.84Å; E654-R656 PolarHBondContact O-N 3.39Å; E654-R656 WeakPolarHBondContact OE2-CD 3.42Å; E654-R656 IonicContact OE2-NE 3.36Å; E654-R656 IonicContact OE2-NH1 3.14Å; E654-R656 PolarHBondContact OE2-NH1 3.45Å
655	N	92.5	Very high	93.6	Very high	125 Å²	125	53.4 Å²	53.4	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	28.3	-172.9	-61.7	-49.1	0	0	0	114.2	R651 Y652 M653 K737	R651-N655 PolarHBondContact O-N 2.85Å; Y652-N655 PolarHBondContact O-N 3.5Å; Y652-N655 VanDerWaalsContact O-N 3.17Å; M653-N655 PolarHBondContact O-N 3.33Å; N655-K737 WeakPolarHBondContact OD1-CE 3.42Å; N655-K737 PolarHBondContact OD1-NZ 2.96Å
656	R	95.3	Very high	93.7	Very high	108 Å²	108	53.3 Å²	53.3	41%	0.408	28%	0.28	S	S	.	.			trans	-89.6	-13.3	-176.3	-71.6	178.7	69.5	-174.8	-2.7	115	R628 L629 R651 E654	R628-R656 PolarHBondContact NH2-O 3.19Å; L629-R656 HydrophobicContact CD1-CB 4.34Å; R651-R656 HydrophobicContact CB-CB 4.29Å; R651-R656 PolarHBondContact O-N 3.23Å; E654-R656 HydrophobicContact CB-CG 3.84Å; E654-R656 PolarHBondContact O-N 3.39Å; E654-R656 WeakPolarHBondContact OE2-CD 3.42Å; E654-R656 IonicContact OE2-NE 3.36Å; E654-R656 IonicContact OE2-NH1 3.14Å; E654-R656 PolarHBondContact OE2-NH1 3.45Å
657	I	93.3	Very high	93.8	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	28%	0.278	C	S	.	.			trans	-76.9	127	173.7	-55.4	-177	0	0	0	107.4	E625 L629 M648 R651 Y652 C662 K663 L666	E625-I657 HydrophobicContact CG-CG2 4.27Å; L629-I657 HydrophobicContact CD1-CG1 4.38Å; M648-I657 HydrophobicContact CE-CD1 3.93Å; R651-I657 HydrophobicContact CB-CD1 4.46Å; R651-I657 HydrophobicContact CB-CG1 4.06Å; Y652-I657 HydrophobicContact CD2-CD1 4.36Å; I657-C662 HydrophobicContact CG2-CB 4.22Å; I657-K663 HydrophobicContact CB-CG 4.29Å; I657-K663 HydrophobicContact CG2-CG 3.83Å; I657-K663 WeakPolarHBondContact O-CE 3.44Å; I657-K663 PolarHBondContact O-NZ 2.96Å; I657-L666 HydrophobicContact CD1-CD1 3.1Å
658	V	93	Very high	93.8	Very high	109 Å²	109	53.3 Å²	53.3	66%	0.661	28%	0.278	S	S	*	.			trans	-95.2	-49.5	179.9	-177.7	0	0	0	0	109	E625 A660 K663	E625-V658 WeakPolarHBondContact OE1-CA 3.28Å; E625-V658 WeakPolarHBondContact OE1-CB 3.16Å; E625-V658 PolarHBondContact OE1-N 2.99Å; V658-A660 PolarHBondContact O-N 3.4Å; V658-K663 PolarHBondContact O-NZ 3.41Å
659	D	94.3	Very high	93.7	Very high	69 Å²	69	53.5 Å²	53.5	37%	0.369	28%	0.279	S	S	.	.			trans	-59.7	131.3	-172.7	-173	-90.1	0	0	0	113.3	E625 A661 C662 K663	E625-D659 HydrophobicContact CG-CB 4.23Å; E625-D659 PolarHBondContact OE1-N 2.99Å; D659-A661 WeakPolarHBondContact OD1-CA 3.31Å; D659-A661 WeakPolarHBondContact OD1-CB 3.46Å; D659-A661 PolarHBondContact OD1-N 3Å; D659-C662 HydrophobicContact CB-CB 4Å; D659-C662 PolarHBondContact OD1-N 3.48Å; D659-K663 VanDerWaalsContact O-CG 3.31Å; D659-K663 WeakPolarHBondContact O-CG 3.29Å; D659-K663 PolarHBondContact O-N 2.9Å
660	A	94.6	Very high	93.6	Very high	62 Å²	62	53.4 Å²	53.4	51%	0.512	28%	0.279	S	S	.	.	H	α-helix	trans	-76.6	-35.3	-175.6	0	0	0	0	0	112.6	V658 K663 Q664	V658-A660 PolarHBondContact O-N 3.4Å; A660-K663 PolarHBondContact O-N 3.24Å; A660-Q664 WeakPolarHBondContact O-CG 3.33Å; A660-Q664 PolarHBondContact O-N 3.06Å; A660-Q664 VanDerWaalsContact O-N 3.07Å
661	A	94.5	Very high	93.5	Very high	40 Å²	40	56.1 Å²	56.1	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-44.4	177.3	0	0	0	0	0	110.1	D659 K663 Q664 E665	D659-A661 WeakPolarHBondContact OD1-CA 3.31Å; D659-A661 WeakPolarHBondContact OD1-CB 3.46Å; D659-A661 PolarHBondContact OD1-N 3Å; A661-K663 VanDerWaalsContact C-N 3.31Å; A661-K663 PolarHBondContact O-N 3.45Å; A661-Q664 WeakPolarHBondContact O-CB 3.49Å; A661-Q664 PolarHBondContact O-N 2.69Å; A661-E665 PolarHBondContact O-N 2.9Å
662	C	96.2	Very high	93.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-42.2	174.3	-179.1	0	0	0	0	112.4	C622 M648 I657 D659 Q664 E665 L666	C622-C662 VanDerWaalsContact CA-SG 3.5Å; C622-C662 HydrophobicContact CB-CB 3.98Å; C622-C662 WeakPolarHBondContact CB-SG 3.28Å; C622-C662 WeakPolarHBondContact SG-CA 3.47Å; C622-C662 WeakPolarHBondContact SG-CB 3.29Å; C622-C662 CovalentContact SG-SG 2.04Å; C622-C662 PolarHBondContact SG-SG 3.24Å; M648-C662 WeakPolarHBondContact CE-SG 3.28Å; I657-C662 HydrophobicContact CG2-CB 4.22Å; D659-C662 HydrophobicContact CB-CB 4Å; D659-C662 PolarHBondContact OD1-N 3.48Å; C662-Q664 VanDerWaalsContact C-N 3.32Å; C662-Q664 PolarHBondContact O-N 3.27Å; C662-E665 PolarHBondContact O-N 3.41Å; C662-L666 WeakPolarHBondContact O-CG 3.46Å; C662-L666 PolarHBondContact O-N 3.12Å
663	K	94.7	Very high	93.2	Very high	77 Å²	77	51.8 Å²	51.8	34%	0.335	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-41.5	173.1	-77.8	169.1	-179.7	152.1	0	112.5	Y652 I657 V658 D659 A660 A661 L666 V667	Y652-K663 HydrophobicContact CD2-CG 4.33Å; Y652-K663 HydrophobicContact CE2-CB 4.3Å; Y652-K663 HydrophobicContact CE2-CG 4.17Å; I657-K663 HydrophobicContact CB-CG 4.29Å; I657-K663 HydrophobicContact CG2-CG 3.83Å; I657-K663 WeakPolarHBondContact O-CE 3.44Å; I657-K663 PolarHBondContact O-NZ 2.96Å; V658-K663 PolarHBondContact O-NZ 3.41Å; D659-K663 VanDerWaalsContact O-CG 3.31Å; D659-K663 WeakPolarHBondContact O-CG 3.29Å; D659-K663 PolarHBondContact O-N 2.9Å; A660-K663 PolarHBondContact O-N 3.24Å; A661-K663 VanDerWaalsContact C-N 3.31Å; A661-K663 PolarHBondContact O-N 3.45Å; K663-L666 PolarHBondContact O-N 2.93Å; K663-V667 VanDerWaalsContact O-CG2 3.28Å; K663-V667 WeakPolarHBondContact O-CG2 3.46Å; K663-V667 PolarHBondContact O-N 3.12Å
664	Q	93.5	Very high	93.1	Very high	132 Å²	132	50.6 Å²	50.6	62%	0.617	26%	0.261	S	S	*	.	H	α-helix	trans	-64.6	-43.6	179.7	-74.1	175.1	10.1	0	0	111.2	A660 A661 C662 V667 R668	A660-Q664 WeakPolarHBondContact O-CG 3.33Å; A660-Q664 PolarHBondContact O-N 3.06Å; A660-Q664 VanDerWaalsContact O-N 3.07Å; A661-Q664 WeakPolarHBondContact O-CB 3.49Å; A661-Q664 PolarHBondContact O-N 2.69Å; C662-Q664 VanDerWaalsContact C-N 3.32Å; C662-Q664 PolarHBondContact O-N 3.27Å; Q664-V667 PolarHBondContact O-N 3.04Å; Q664-R668 PolarHBondContact O-N 3.26Å
665	E	93.4	Very high	92.8	Very high	35 Å²	35	46.8 Å²	46.8	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-40.6	177.1	-66.8	-53.1	125.5	0	0	112.2	F618 A661 C662 V667 R668 I669	F618-E665 HydrophobicContact CB-CB 4.2Å; F618-E665 HydrophobicContact CD2-CB 4.12Å; A661-E665 PolarHBondContact O-N 2.9Å; C662-E665 PolarHBondContact O-N 3.41Å; E665-V667 VanDerWaalsContact C-N 3.33Å; E665-V667 PolarHBondContact O-N 3.27Å; E665-R668 WeakPolarHBondContact O-CB 3.2Å; E665-R668 PolarHBondContact O-N 2.98Å; E665-R668 VanDerWaalsContact O-N 3.15Å; E665-R668 IonicContact OE2-CZ 3.79Å; E665-R668 VanDerWaalsContact OE2-CZ 3.26Å; E665-R668 IonicContact OE2-NE 3.93Å; E665-R668 PolarHBondContact OE2-NE 3.18Å; E665-R668 IonicContact OE2-NH2 2.63Å; E665-R668 PolarHBondContact OE2-NH2 3.46Å; E665-I669 WeakPolarHBondContact O-CG1 3.43Å; E665-I669 PolarHBondContact O-N 3.11Å
666	L	94	Very high	92.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-40.2	172.8	-78.4	169.5	0	0	0	112.8	F618 L645 M648 Y652 I657 C662 K663 R668 I669 M670	F618-L666 HydrophobicContact CD2-CD2 4.44Å; F618-L666 HydrophobicContact CE2-CD2 3.65Å; F618-L666 HydrophobicContact CE2-CG 3.95Å; F618-L666 HydrophobicContact CZ-CD2 4.41Å; L645-L666 HydrophobicContact CD1-CD2 3.99Å; M648-L666 HydrophobicContact CB-CD1 4.31Å; M648-L666 HydrophobicContact CB-CD2 3.91Å; M648-L666 HydrophobicContact CE-CD1 4.26Å; Y652-L666 HydrophobicContact CD2-CB 4.41Å; Y652-L666 HydrophobicContact CD2-CD1 4.23Å; I657-L666 HydrophobicContact CD1-CD1 3.1Å; C662-L666 WeakPolarHBondContact O-CG 3.46Å; C662-L666 PolarHBondContact O-N 3.12Å; K663-L666 PolarHBondContact O-N 2.93Å; L666-R668 VanDerWaalsContact C-N 3.31Å; L666-I669 PolarHBondContact O-N 2.88Å; L666-M670 VanDerWaalsContact C-CE 3.4Å; L666-M670 HydrophobicContact CB-CE 3.91Å; L666-M670 WeakPolarHBondContact O-CB 3.37Å; L666-M670 WeakPolarHBondContact O-CE 3.35Å; L666-M670 WeakPolarHBondContact O-CG 3.45Å; L666-M670 PolarHBondContact O-N 3.39Å
667	V	92.8	Very high	92.5	Very high	25 Å²	25	36 Å²	36	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-36.8	174.5	170.6	0	0	0	0	111.4	Y652 K663 Q664 E665 M670 K671 A738	Y652-V667 HydrophobicContact CE2-CG2 4.11Å; Y652-V667 WeakPolarHBondContact OH-CG2 2.96Å; K663-V667 VanDerWaalsContact O-CG2 3.28Å; K663-V667 WeakPolarHBondContact O-CG2 3.46Å; K663-V667 PolarHBondContact O-N 3.12Å; Q664-V667 PolarHBondContact O-N 3.04Å; E665-V667 VanDerWaalsContact C-N 3.33Å; E665-V667 PolarHBondContact O-N 3.27Å; V667-M670 HydrophobicContact CG2-CE 4.24Å; V667-K671 HydrophobicContact CG1-CD 4.4Å; V667-K671 WeakPolarHBondContact O-CG 3.41Å; V667-K671 PolarHBondContact O-N 3.39Å; V667-K671 VanDerWaalsContact O-N 3.07Å; V667-A738 HydrophobicContact CG2-CB 4.18Å
668	R	92.3	Very high	92.3	Very high	37 Å²	37	38.4 Å²	38.4	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-51.1	174.1	-179	-174.9	58.4	70.3	-1.7	110.8	D615 Q664 E665 L666 M670 K671 E672	D615-R668 VanDerWaalsContact CG-NH2 3.25Å; D615-R668 IonicContact OD1-NH2 3.2Å; D615-R668 PolarHBondContact OD1-NH2 2.93Å; D615-R668 IonicContact OD2-CZ 3.51Å; D615-R668 IonicContact OD2-NH1 2.77Å; D615-R668 PolarHBondContact OD2-NH1 3.48Å; D615-R668 IonicContact OD2-NH2 2.99Å; D615-R668 PolarHBondContact OD2-NH2 3.45Å; Q664-R668 PolarHBondContact O-N 3.26Å; E665-R668 WeakPolarHBondContact O-CB 3.2Å; E665-R668 PolarHBondContact O-N 2.98Å; E665-R668 VanDerWaalsContact O-N 3.15Å; E665-R668 IonicContact OE2-CZ 3.79Å; E665-R668 VanDerWaalsContact OE2-CZ 3.26Å; E665-R668 IonicContact OE2-NE 3.93Å; E665-R668 PolarHBondContact OE2-NE 3.18Å; E665-R668 IonicContact OE2-NH2 2.63Å; E665-R668 PolarHBondContact OE2-NH2 3.46Å; L666-R668 VanDerWaalsContact C-N 3.31Å; R668-M670 PolarHBondContact O-N 3.23Å; R668-K671 WeakPolarHBondContact O-CB 3.44Å; R668-K671 PolarHBondContact O-N 3.15Å; R668-E672 IonicContact CZ-OE1 3.5Å; R668-E672 IonicContact NH1-OE1 3.7Å; R668-E672 PolarHBondContact NH1-OE1 3.13Å; R668-E672 IonicContact NH1-OE2 2.77Å; R668-E672 PolarHBondContact O-N 2.87Å; R668-E672 VanDerWaalsContact O-N 3.1Å
669	I	92.8	Very high	92.3	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-49.1	178	-66.7	167	0	0	0	110.7	E609 F618 L645 E665 L666 K671 E672 E673	E609-I669 WeakPolarHBondContact OE1-CG2 3.43Å; F618-I669 HydrophobicContact CB-CD1 4.12Å; F618-I669 HydrophobicContact CD1-CD1 4.44Å; F618-I669 HydrophobicContact CD2-CD1 3.61Å; F618-I669 HydrophobicContact CE2-CD1 4.12Å; F618-I669 HydrophobicContact CG-CD1 3.79Å; L645-I669 HydrophobicContact CD1-CD1 3.88Å; L645-I669 HydrophobicContact CD1-CG2 4.05Å; L645-I669 HydrophobicContact CD2-CG2 3.91Å; E665-I669 WeakPolarHBondContact O-CG1 3.43Å; E665-I669 PolarHBondContact O-N 3.11Å; L666-I669 PolarHBondContact O-N 2.88Å; I669-K671 PolarHBondContact O-N 2.74Å; I669-K671 VanDerWaalsContact O-N 3.17Å; I669-E672 WeakPolarHBondContact O-CA 3.34Å; I669-E672 WeakPolarHBondContact O-CB 3.22Å; I669-E672 PolarHBondContact O-N 2.78Å; I669-E673 WeakPolarHBondContact CG2-OE1 3.48Å; I669-E673 WeakPolarHBondContact O-CG 3.48Å; I669-E673 PolarHBondContact O-N 2.93Å
670	M	91.6	Very high	92.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-28.7	177.6	-74.4	-178.2	-89.8	0	0	114	Y652 L666 V667 R668 L674 L734 W735 A738	Y652-M670 HydrophobicContact CD1-CE 3.88Å; Y652-M670 HydrophobicContact CD2-CE 4.27Å; Y652-M670 HydrophobicContact CE1-CE 3.86Å; Y652-M670 HydrophobicContact CE2-CE 4.23Å; Y652-M670 HydrophobicContact CG-CE 4.1Å; L666-M670 VanDerWaalsContact C-CE 3.4Å; L666-M670 HydrophobicContact CB-CE 3.91Å; L666-M670 WeakPolarHBondContact O-CB 3.37Å; L666-M670 WeakPolarHBondContact O-CE 3.35Å; L666-M670 WeakPolarHBondContact O-CG 3.45Å; L666-M670 PolarHBondContact O-N 3.39Å; V667-M670 HydrophobicContact CG2-CE 4.24Å; R668-M670 PolarHBondContact O-N 3.23Å; M670-L674 WeakPolarHBondContact O-CB 3.43Å; M670-L674 PolarHBondContact O-N 3.23Å; M670-L674 VanDerWaalsContact O-N 3.12Å; M670-L734 HydrophobicContact CG-CD2 4.22Å; M670-L734 HydrophobicContact CG-CG 4.31Å; M670-L734 HydrophobicContact SD-CD1 3.5Å; M670-L734 WeakPolarHBondContact SD-CD1 3.21Å; M670-L734 HydrophobicContact SD-CD2 3.92Å; M670-L734 HydrophobicContact SD-CG 3.44Å; M670-L734 WeakPolarHBondContact SD-CG 3.15Å; M670-W735 PolarHBondContact O-NE1 2.9Å; M670-A738 HydrophobicContact CB-CB 4.17Å; M670-A738 HydrophobicContact CE-CB 3.67Å; M670-A738 HydrophobicContact CG-CB 4.49Å; M670-A738 HydrophobicContact SD-CB 3.45Å; M670-A738 WeakPolarHBondContact SD-CB 3.36Å
671	K	90.4	Very high	92	Very high	98 Å²	98	27.6 Å²	27.6	43%	0.426	14%	0.138	S	C	.	.	H	α-helix	trans	-74.2	-35.6	173.8	-76.3	174.1	177.2	-177.5	0	112.1	T586 V667 R668 I669 L674 A675 T739	T586-K671 HydrophobicContact CG2-CB 4.14Å; V667-K671 HydrophobicContact CG1-CD 4.4Å; V667-K671 WeakPolarHBondContact O-CG 3.41Å; V667-K671 PolarHBondContact O-N 3.39Å; V667-K671 VanDerWaalsContact O-N 3.07Å; R668-K671 WeakPolarHBondContact O-CB 3.44Å; R668-K671 PolarHBondContact O-N 3.15Å; I669-K671 PolarHBondContact O-N 2.74Å; I669-K671 VanDerWaalsContact O-N 3.17Å; K671-L674 PolarHBondContact O-N 3.26Å; K671-A675 WeakPolarHBondContact O-CB 3.44Å; K671-A675 PolarHBondContact O-N 3.16Å; K671-A675 VanDerWaalsContact O-N 3.08Å; K671-T739 HydrophobicContact CG-CG2 3.85Å
672	E	90.7	Very high	91.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-45.5	174.8	-66.4	170.3	-167.1	0	0	110.4	R582 T586 I605 R668 I669 L674 A675 D676 L679	R582-E672 IonicContact CZ-OE1 3.68Å; R582-E672 IonicContact CZ-OE2 2.61Å; R582-E672 VanDerWaalsContact CZ-OE2 3.31Å; R582-E672 IonicContact NE-OE1 3.93Å; R582-E672 PolarHBondContact NE-OE1 3.11Å; R582-E672 IonicContact NE-OE2 3.62Å; R582-E672 PolarHBondContact NE-OE2 3.17Å; R582-E672 IonicContact NH2-OE1 3.27Å; R582-E672 IonicContact NH2-OE2 3.86Å; R582-E672 PolarHBondContact NH2-OE2 3.06Å; T586-E672 HydrophobicContact CG2-CB 4.22Å; T586-E672 HydrophobicContact CG2-CG 3.52Å; I605-E672 HydrophobicContact CD1-CG 4.4Å; I605-E672 HydrophobicContact CG2-CB 4.33Å; I605-E672 VanDerWaalsContact CG2-OE2 3.31Å; I605-E672 WeakPolarHBondContact CG2-OE2 3.32Å; R668-E672 IonicContact CZ-OE1 3.5Å; R668-E672 IonicContact NH1-OE1 3.7Å; R668-E672 PolarHBondContact NH1-OE1 3.13Å; R668-E672 IonicContact NH1-OE2 2.77Å; R668-E672 PolarHBondContact O-N 2.87Å; R668-E672 VanDerWaalsContact O-N 3.1Å; I669-E672 WeakPolarHBondContact O-CA 3.34Å; I669-E672 WeakPolarHBondContact O-CB 3.22Å; I669-E672 PolarHBondContact O-N 2.78Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 3.22Å; E672-A675 WeakPolarHBondContact O-CB 3.41Å; E672-A675 PolarHBondContact O-N 3.14Å; E672-D676 PolarHBondContact O-N 3.35Å; E672-L679 HydrophobicContact CB-CD1 4.49Å
673	E	91.4	Very high	91.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-41.8	173.1	-68.8	169.1	-170.4	0	0	112.9	K649 I669 A675 D676 L679 D680 L706	K649-E673 WeakPolarHBondContact CE-OE1 3.4Å; K649-E673 WeakPolarHBondContact CE-OE2 3.44Å; K649-E673 VanDerWaalsContact NZ-CD 3.29Å; K649-E673 IonicContact NZ-OE1 2.68Å; K649-E673 PolarHBondContact NZ-OE1 3.27Å; K649-E673 IonicContact NZ-OE2 2.95Å; K649-E673 PolarHBondContact NZ-OE2 3.35Å; I669-E673 WeakPolarHBondContact CG2-OE1 3.48Å; I669-E673 WeakPolarHBondContact O-CG 3.48Å; I669-E673 PolarHBondContact O-N 2.93Å; E673-A675 PolarHBondContact O-N 2.71Å; E673-D676 CarbonylContact O-C 3.45Å; E673-D676 PolarHBondContact O-N 3.25Å; E673-L679 WeakPolarHBondContact CG-O 3.34Å; E673-D680 HydrophobicContact CB-CB 4.09Å; E673-D680 HydrophobicContact CG-CB 3.91Å; E673-L706 WeakPolarHBondContact O-CD1 3.27Å
674	L	89.6	Confident	91.6	Very high	39 Å²	39	28.8 Å²	28.8	20%	0.204	14%	0.136	C	C	.	.	H	α-helix	trans	-68	-25.7	177	-176.3	63.9	0	0	0	112.2	M670 K671 E672 L706 W735 T739 I743	M670-L674 WeakPolarHBondContact O-CB 3.43Å; M670-L674 PolarHBondContact O-N 3.23Å; M670-L674 VanDerWaalsContact O-N 3.12Å; K671-L674 PolarHBondContact O-N 3.26Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 3.22Å; L674-L706 HydrophobicContact CD1-CD1 4.26Å; L674-L706 WeakPolarHBondContact O-CD1 3.38Å; L674-W735 HydrophobicContact CB-CD2 4.43Å; L674-W735 HydrophobicContact CB-CG 4.4Å; L674-W735 HydrophobicContact CD1-CB 4.44Å; L674-W735 HydrophobicContact CD1-CD2 3.72Å; L674-W735 HydrophobicContact CD1-CE3 3.67Å; L674-W735 HydrophobicContact CD1-CG 4.09Å; L674-W735 HydrophobicContact CD1-CZ3 4.17Å; L674-T739 HydrophobicContact CD2-CG2 4.19Å; L674-I743 HydrophobicContact CD1-CD1 4.19Å
675	A	87.8	Confident	91.5	Very high	15 Å²	15	27.3 Å²	27.3	12%	0.124	13%	0.129	C	C	.	.	H	α-helix	trans	-78.7	-27.9	179.6	0	0	0	0	0	112.6	K671 E672 E673 G701 D702 G703	K671-A675 WeakPolarHBondContact O-CB 3.44Å; K671-A675 PolarHBondContact O-N 3.16Å; K671-A675 VanDerWaalsContact O-N 3.08Å; E672-A675 WeakPolarHBondContact O-CB 3.41Å; E672-A675 PolarHBondContact O-N 3.14Å; E673-A675 PolarHBondContact O-N 2.71Å; A675-G701 CarbonylContact O-C 3.39Å; A675-D702 CarbonylContact O-C 3.55Å; A675-D702 WeakPolarHBondContact O-CA 3.33Å; A675-D702 PolarHBondContact O-N 3.39Å; A675-G703 PolarHBondContact O-N 2.89Å
676	D	89.6	Confident	91.6	Very high	5 Å²	5	26 Å²	26	3%	0.027	12%	0.124	C	C	.	.			trans	-157	123	174.8	-167.7	-15.2	0	0	0	110.6	K602 E672 E673 H678 L679	K602-D676 WeakPolarHBondContact CE-OD2 3.33Å; K602-D676 IonicContact NZ-OD2 2.64Å; K602-D676 PolarHBondContact NZ-OD2 2.93Å; E672-D676 PolarHBondContact O-N 3.35Å; E673-D676 CarbonylContact O-C 3.45Å; E673-D676 PolarHBondContact O-N 3.25Å; D676-H678 PolarHBondContact O-N 3.47Å; D676-H678 IonicContact OD1-CE1 3.89Å; D676-H678 IonicContact OD1-CG 3.64Å; D676-H678 PolarHBondContact OD1-N 2.96Å; D676-H678 IonicContact OD1-ND1 2.82Å; D676-H678 PolarHBondContact OD1-ND1 3.32Å; D676-L679 HydrophobicContact CB-CD1 4.07Å; D676-L679 HydrophobicContact CB-CG 4.07Å; D676-L679 WeakPolarHBondContact O-CB 3.48Å; D676-L679 PolarHBondContact O-N 3.44Å
677	I	91.9	Very high	91.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-55.4	-29.2	179.9	-173.5	162.8	0	0	0	112.9	L679 D680 L683 Y684 C687 I691 V705 L706 L709	I677-L679 PolarHBondContact O-N 3.45Å; I677-L679 VanDerWaalsContact O-N 3.16Å; I677-D680 PolarHBondContact O-N 2.96Å; I677-L683 HydrophobicContact CD1-CD2 4.09Å; I677-L683 HydrophobicContact CD1-CG 4.03Å; I677-L683 HydrophobicContact CG1-CD2 4.12Å; I677-L683 HydrophobicContact CG1-CG 4.22Å; I677-Y684 HydrophobicContact CG1-CD2 4.35Å; I677-Y684 HydrophobicContact CG2-CD2 4.29Å; I677-C687 HydrophobicContact CD1-CB 4.36Å; I677-I691 HydrophobicContact CD1-CD1 3.69Å; I677-I691 HydrophobicContact CD1-CG1 4.5Å; I677-I691 HydrophobicContact CG1-CD1 4.49Å; I677-I691 HydrophobicContact CG2-CD1 4.4Å; I677-V705 HydrophobicContact CG2-CB 3.87Å; I677-V705 HydrophobicContact CG2-CG1 3.76Å; I677-L706 HydrophobicContact CB-CD2 3.85Å; I677-L706 HydrophobicContact CB-CG 4.01Å; I677-L706 HydrophobicContact CD1-CD2 3.8Å; I677-L706 HydrophobicContact CG1-CD2 3.97Å; I677-L709 HydrophobicContact CD1-CD1 3.43Å; I677-L709 VanDerWaalsContact CD1-CD1 3.43Å
678	H	90.4	Very high	91.8	Very high	54 Å²	54	27.5 Å²	27.5	25%	0.25	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-66.7	-14.3	178.5	-59.4	88.1	0	0	0	113.1	D676 Y684	D676-H678 PolarHBondContact O-N 3.47Å; D676-H678 IonicContact OD1-CE1 3.89Å; D676-H678 IonicContact OD1-CG 3.64Å; D676-H678 PolarHBondContact OD1-N 2.96Å; D676-H678 IonicContact OD1-ND1 2.82Å; D676-H678 PolarHBondContact OD1-ND1 3.32Å; H678-Y684 AromaticContact CD2-CD2 3.7Å; H678-Y684 AromaticContact CD2-CE2 3.25Å; H678-Y684 WeakPolarHBondContact CD2-CE2 3.21Å; H678-Y684 AromaticContact CD2-CZ 3.56Å; H678-Y684 AromaticContact NE2-CD2 3.97Å; H678-Y684 AromaticContact NE2-CE2 3.21Å; H678-Y684 WeakPolarHBondContact NE2-CE2 3.41Å; H678-Y684 AromaticContact NE2-CZ 3.7Å
679	L	91.4	Very high	91.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-92.4	2.1	174.5	-53.8	178.6	0	0	0	112.3	I585 K602 I605 E609 E672 E673 D676 I677	I585-L679 HydrophobicContact CG2-CD1 4.29Å; K602-L679 HydrophobicContact CB-CD2 4.22Å; K602-L679 HydrophobicContact CG-CD1 4.5Å; K602-L679 HydrophobicContact CG-CD2 4.29Å; I605-L679 HydrophobicContact CB-CD2 3.99Å; I605-L679 HydrophobicContact CD1-CD1 4.12Å; I605-L679 HydrophobicContact CG2-CB 4.16Å; I605-L679 HydrophobicContact CG2-CD1 4.07Å; I605-L679 HydrophobicContact CG2-CD2 3.87Å; I605-L679 HydrophobicContact CG2-CG 4.24Å; E609-L679 VanDerWaalsContact CD-O 3.28Å; E609-L679 WeakPolarHBondContact CG-O 3.36Å; E672-L679 HydrophobicContact CB-CD1 4.49Å; E673-L679 WeakPolarHBondContact CG-O 3.34Å; D676-L679 HydrophobicContact CB-CD1 4.07Å; D676-L679 HydrophobicContact CB-CG 4.07Å; D676-L679 WeakPolarHBondContact O-CB 3.48Å; D676-L679 PolarHBondContact O-N 3.44Å; I677-L679 PolarHBondContact O-N 3.45Å; I677-L679 VanDerWaalsContact O-N 3.16Å
680	D	92.4	Very high	92	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.			trans	-115.3	91.2	164.4	-175.7	-23	0	0	0	107.8	E673 I677 M682 L683 Y684 R731	E673-D680 HydrophobicContact CB-CB 4.09Å; E673-D680 HydrophobicContact CG-CB 3.91Å; I677-D680 PolarHBondContact O-N 2.96Å; D680-M682 PolarHBondContact O-N 2.96Å; D680-M682 PolarHBondContact OD1-N 3.3Å; D680-L683 HydrophobicContact CB-CB 3.9Å; D680-L683 PolarHBondContact O-N 2.88Å; D680-L683 WeakPolarHBondContact OD1-CB 3.42Å; D680-L683 PolarHBondContact OD1-N 2.93Å; D680-L683 WeakPolarHBondContact OD2-CB 3.37Å; D680-Y684 WeakPolarHBondContact O-CB 3.49Å; D680-Y684 PolarHBondContact O-N 3.39Å; D680-R731 IonicContact OD1-CZ 3.88Å; D680-R731 IonicContact OD1-NE 3.78Å; D680-R731 IonicContact OD1-NH2 3.95Å; D680-R731 PolarHBondContact OD1-NH2 3.21Å; D680-R731 WeakPolarHBondContact OD2-CD 3.23Å; D680-R731 IonicContact OD2-CZ 3.48Å; D680-R731 IonicContact OD2-NE 2.7Å; D680-R731 PolarHBondContact OD2-NE 2.94Å; D680-R731 IonicContact OD2-NH2 2.73Å; D680-R731 PolarHBondContact OD2-NH2 3.28Å
681	V	90.4	Very high	92.2	Very high	10 Å²	10	33.5 Å²	33.5	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-38.2	-170.8	-175.7	0	0	0	0	111.4	F606 E609 V610 Q685	F606-V681 HydrophobicContact CD2-CG2 3.83Å; F606-V681 HydrophobicContact CE2-CG1 4.39Å; F606-V681 HydrophobicContact CE2-CG2 3.58Å; F606-V681 HydrophobicContact CZ-CG2 4.33Å; E609-V681 HydrophobicContact CB-CG2 3.69Å; E609-V681 HydrophobicContact CG-CG2 4.46Å; V610-V681 HydrophobicContact CG2-CG2 4.41Å; V681-Q685 WeakPolarHBondContact O-CB 3.41Å; V681-Q685 WeakPolarHBondContact O-CG 3.05Å; V681-Q685 PolarHBondContact O-N 3.28Å
682	M	89.8	Confident	92.4	Very high	66 Å²	66	35.6 Å²	35.6	33%	0.325	17%	0.174	S	C	.	.	H	α-helix	trans	-72.8	-41.8	-178.4	-62.3	-63	-78.3	0	0	111.7	E646 D680 A686	E646-M682 HydrophobicContact CG-CG 4.22Å; D680-M682 PolarHBondContact O-N 2.96Å; D680-M682 PolarHBondContact OD1-N 3.3Å; M682-A686 WeakPolarHBondContact O-CB 3.21Å; M682-A686 PolarHBondContact O-N 3.45Å; M682-A686 VanDerWaalsContact O-N 3.14Å
683	L	93.8	Very high	92.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-42.8	175.4	179.7	65.5	0	0	0	111.7	I677 D680 Q685 A686 C687 L706 K727 L728 R731 W735	I677-L683 HydrophobicContact CD1-CD2 4.09Å; I677-L683 HydrophobicContact CD1-CG 4.03Å; I677-L683 HydrophobicContact CG1-CD2 4.12Å; I677-L683 HydrophobicContact CG1-CG 4.22Å; D680-L683 HydrophobicContact CB-CB 3.9Å; D680-L683 PolarHBondContact O-N 2.88Å; D680-L683 WeakPolarHBondContact OD1-CB 3.42Å; D680-L683 PolarHBondContact OD1-N 2.93Å; D680-L683 WeakPolarHBondContact OD2-CB 3.37Å; L683-Q685 PolarHBondContact O-N 2.92Å; L683-A686 PolarHBondContact O-N 3.41Å; L683-C687 WeakPolarHBondContact O-CB 3.21Å; L683-C687 PolarHBondContact O-N 3.25Å; L683-L706 HydrophobicContact CD2-CD2 3.66Å; L683-K727 HydrophobicContact CD1-CB 3.88Å; L683-L728 HydrophobicContact CD1-CB 4.2Å; L683-L728 HydrophobicContact CD1-CD1 4.31Å; L683-L728 HydrophobicContact CD2-CD1 4.36Å; L683-R731 HydrophobicContact CD1-CG 4.35Å; L683-R731 HydrophobicContact CD2-CB 4.43Å; L683-R731 HydrophobicContact CD2-CG 4.14Å; L683-W735 HydrophobicContact CD2-CH2 3.62Å; L683-W735 HydrophobicContact CD2-CZ2 4.07Å
684	Y	93.6	Very high	92.6	Very high	75 Å²	75	45.5 Å²	45.5	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-46.4	178.2	-179.6	-105.3	0	0	0	111.4	I677 H678 D680 A686 C687 V688 I691	I677-Y684 HydrophobicContact CG1-CD2 4.35Å; I677-Y684 HydrophobicContact CG2-CD2 4.29Å; H678-Y684 AromaticContact CD2-CD2 3.7Å; H678-Y684 AromaticContact CD2-CE2 3.25Å; H678-Y684 WeakPolarHBondContact CD2-CE2 3.21Å; H678-Y684 AromaticContact CD2-CZ 3.56Å; H678-Y684 AromaticContact NE2-CD2 3.97Å; H678-Y684 AromaticContact NE2-CE2 3.21Å; H678-Y684 WeakPolarHBondContact NE2-CE2 3.41Å; H678-Y684 AromaticContact NE2-CZ 3.7Å; D680-Y684 WeakPolarHBondContact O-CB 3.49Å; D680-Y684 PolarHBondContact O-N 3.39Å; Y684-A686 VanDerWaalsContact C-N 3.35Å; Y684-A686 PolarHBondContact O-N 3.44Å; Y684-C687 CarbonylContact O-C 3.17Å; Y684-C687 PolarHBondContact O-N 2.96Å; Y684-V688 HydrophobicContact CE1-CG2 4.19Å; Y684-V688 WeakPolarHBondContact O-CA 3.06Å; Y684-V688 WeakPolarHBondContact O-CB 3.39Å; Y684-V688 PolarHBondContact O-N 2.98Å; Y684-I691 HydrophobicContact CD2-CD1 3.79Å; Y684-I691 HydrophobicContact CE2-CD1 3.9Å
685	Q	92.4	Very high	92.8	Very high	101 Å²	101	43.8 Å²	43.8	47%	0.472	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-43.8	176.4	-77.2	-178.8	-26.5	0	0	112.3	V681 L683 C687	V681-Q685 WeakPolarHBondContact O-CB 3.41Å; V681-Q685 WeakPolarHBondContact O-CG 3.05Å; V681-Q685 PolarHBondContact O-N 3.28Å; L683-Q685 PolarHBondContact O-N 2.92Å; Q685-C687 VanDerWaalsContact C-N 3.27Å; Q685-C687 PolarHBondContact O-N 2.92Å
686	A	94.6	Very high	93	Very high	6 Å²	6	48.6 Å²	48.6	5%	0.05	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-32	177	0	0	0	0	0	113	M682 L683 Y684 E723 C724 K727	M682-A686 WeakPolarHBondContact O-CB 3.21Å; M682-A686 PolarHBondContact O-N 3.45Å; M682-A686 VanDerWaalsContact O-N 3.14Å; L683-A686 PolarHBondContact O-N 3.41Å; Y684-A686 VanDerWaalsContact C-N 3.35Å; Y684-A686 PolarHBondContact O-N 3.44Å; A686-E723 HydrophobicContact CB-CG 3.88Å; A686-C724 WeakPolarHBondContact O-CB 3.36Å; A686-K727 HydrophobicContact CB-CB 4.13Å; A686-K727 HydrophobicContact CB-CG 3.91Å
687	C	96.2	Very high	93.1	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-106.9	-0.1	-173.1	-68.5	0	0	0	0	115.2	I677 L683 Y684 Q685 M689 D690 I691 L709 C724	I677-C687 HydrophobicContact CD1-CB 4.36Å; L683-C687 WeakPolarHBondContact O-CB 3.21Å; L683-C687 PolarHBondContact O-N 3.25Å; Y684-C687 CarbonylContact O-C 3.17Å; Y684-C687 PolarHBondContact O-N 2.96Å; Q685-C687 VanDerWaalsContact C-N 3.27Å; Q685-C687 PolarHBondContact O-N 2.92Å; C687-M689 VanDerWaalsContact C-N 3.29Å; C687-M689 PolarHBondContact O-N 2.97Å; C687-D690 WeakPolarHBondContact O-CB 3.45Å; C687-D690 PolarHBondContact O-N 3.07Å; C687-I691 HydrophobicContact CB-CD1 4.09Å; C687-I691 HydrophobicContact CB-CG1 4.22Å; C687-I691 VanDerWaalsContact O-CG1 3.28Å; C687-I691 WeakPolarHBondContact O-CG1 3.4Å; C687-I691 PolarHBondContact O-N 2.62Å; C687-L709 HydrophobicContact CB-CD1 4Å; C687-C724 VanDerWaalsContact CA-SG 3.56Å; C687-C724 HydrophobicContact CB-CB 3.92Å; C687-C724 WeakPolarHBondContact CB-SG 3.42Å; C687-C724 WeakPolarHBondContact SG-CA 3.41Å; C687-C724 WeakPolarHBondContact SG-CB 3.36Å; C687-C724 CovalentContact SG-SG 2.05Å; C687-C724 PolarHBondContact SG-SG 2.64Å
688	V	94.4	Very high	93.1	Very high	59 Å²	59	58 Å²	58	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-56.3	-40.2	-169.2	66.9	0	0	0	0	113.5	Y684 K692	Y684-V688 HydrophobicContact CE1-CG2 4.19Å; Y684-V688 WeakPolarHBondContact O-CA 3.06Å; Y684-V688 WeakPolarHBondContact O-CB 3.39Å; Y684-V688 PolarHBondContact O-N 2.98Å; V688-K692 PolarHBondContact O-N 3.49Å
689	M	94.9	Very high	92.8	Very high	136 Å²	136	59.5 Å²	59.5	67%	0.67	30%	0.297	S	S	*	.	H	α-helix	trans	-71.7	-39.4	178.3	-66.3	-57.8	-66.6	0	0	111.8	C687 K692 H693	C687-M689 VanDerWaalsContact C-N 3.29Å; C687-M689 PolarHBondContact O-N 2.97Å; M689-K692 PolarHBondContact O-N 2.89Å; M689-H693 PolarHBondContact O-N 2.99Å
690	D	95.9	Very high	92.3	Very high	12 Å²	12	63 Å²	63	6%	0.064	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-39.1	177.4	-64.7	-62.4	0	0	0	111.7	C687 H693 Y694 L709 L720 S721 C724	C687-D690 WeakPolarHBondContact O-CB 3.45Å; C687-D690 PolarHBondContact O-N 3.07Å; D690-H693 PolarHBondContact O-N 2.66Å; D690-Y694 HydrophobicContact CB-CD2 4.32Å; D690-Y694 WeakPolarHBondContact O-CB 3.38Å; D690-Y694 WeakPolarHBondContact O-CD2 3.46Å; D690-Y694 PolarHBondContact O-N 3.26Å; D690-L709 HydrophobicContact CB-CD2 4.3Å; D690-L720 HydrophobicContact CB-CD2 3.89Å; D690-L720 WeakPolarHBondContact OD1-CA 3.32Å; D690-S721 PolarHBondContact OD1-N 2.87Å; D690-S721 WeakPolarHBondContact OD2-CB 3.15Å; D690-S721 PolarHBondContact OD2-N 2.88Å; D690-S721 PolarHBondContact OD2-OG 3.34Å; D690-C724 WeakPolarHBondContact OD2-CB 3.07Å
691	I	94.5	Very high	91.6	Very high	20 Å²	20	63.1 Å²	63.1	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-48	174	-66.6	164.4	0	0	0	109.9	I677 Y684 C687 H693 C695 N696 V705 L709	I677-I691 HydrophobicContact CD1-CD1 3.69Å; I677-I691 HydrophobicContact CD1-CG1 4.5Å; I677-I691 HydrophobicContact CG1-CD1 4.49Å; I677-I691 HydrophobicContact CG2-CD1 4.4Å; Y684-I691 HydrophobicContact CD2-CD1 3.79Å; Y684-I691 HydrophobicContact CE2-CD1 3.9Å; C687-I691 HydrophobicContact CB-CD1 4.09Å; C687-I691 HydrophobicContact CB-CG1 4.22Å; C687-I691 VanDerWaalsContact O-CG1 3.28Å; C687-I691 WeakPolarHBondContact O-CG1 3.4Å; C687-I691 PolarHBondContact O-N 2.62Å; I691-H693 PolarHBondContact O-N 2.9Å; I691-C695 HydrophobicContact CG2-CB 4.38Å; I691-C695 CarbonylContact O-C 3.58Å; I691-C695 VanDerWaalsContact O-CA 3.28Å; I691-C695 WeakPolarHBondContact O-CA 3.39Å; I691-C695 PolarHBondContact O-N 3.39Å; I691-N696 PolarHBondContact O-N 3.21Å; I691-N696 VanDerWaalsContact O-N 3.16Å; I691-V705 HydrophobicContact CD1-CG1 4.13Å; I691-V705 HydrophobicContact CG1-CG1 3.9Å; I691-V705 HydrophobicContact CG2-CG1 3.92Å; I691-L709 HydrophobicContact CD1-CD1 4.26Å; I691-L709 HydrophobicContact CG1-CD1 3.79Å; I691-L709 HydrophobicContact CG1-CD2 4.09Å; I691-L709 HydrophobicContact CG1-CG 4.23Å
692	K	94.1	Very high	91.1	Very high	141 Å²	141	66.5 Å²	66.5	61%	0.613	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-31.6	178.6	-175.1	177	179.5	179.6	0	112.5	V688 M689 N696	V688-K692 PolarHBondContact O-N 3.49Å; M689-K692 PolarHBondContact O-N 2.89Å; K692-N696 WeakPolarHBondContact O-CB 3.4Å
693	H	93.8	Very high	90.9	Very high	137 Å²	137	63.8 Å²	63.8	63%	0.634	33%	0.328	S	S	*	.	H	α-helix	trans	-85.5	-42.8	-177.1	-167.5	38.7	0	0	0	113	M689 D690 I691	M689-H693 PolarHBondContact O-N 2.99Å; D690-H693 PolarHBondContact O-N 2.66Å; I691-H693 PolarHBondContact O-N 2.9Å
694	Y	93.9	Very high	90.8	Very high	74 Å²	74	68 Å²	68	29%	0.29	35%	0.346	S	S	.	.	H	α-helix	trans	-109.3	-20.3	-169.8	-59.1	-63.1	0	0	0	114.5	D690 V718 H719 L720	D690-Y694 HydrophobicContact CB-CD2 4.32Å; D690-Y694 WeakPolarHBondContact O-CB 3.38Å; D690-Y694 WeakPolarHBondContact O-CD2 3.46Å; D690-Y694 PolarHBondContact O-N 3.26Å; Y694-V718 HydrophobicContact CD1-CG1 3.76Å; Y694-V718 HydrophobicContact CD1-CG2 4.21Å; Y694-V718 HydrophobicContact CD2-CG1 3.85Å; Y694-V718 HydrophobicContact CE1-CB 4.32Å; Y694-V718 HydrophobicContact CE1-CG1 3.62Å; Y694-V718 HydrophobicContact CE1-CG2 4.19Å; Y694-V718 HydrophobicContact CE2-CG1 3.7Å; Y694-V718 HydrophobicContact CG-CG1 3.87Å; Y694-H719 PolarHBondContact OH-N 3.38Å; Y694-H719 PolarHBondContact OH-O 2.93Å; Y694-L720 HydrophobicContact CD2-CD2 3.72Å; Y694-L720 HydrophobicContact CE2-CD2 3.99Å
695	C	93.7	Very high	90.7	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.02	33%	0.333	C	S	.	.	S	Bend	trans	-127.7	23	-173.3	-57.9	0	0	0	0	112.9	I691 D697 V698 V705 C708	I691-C695 HydrophobicContact CG2-CB 4.38Å; I691-C695 CarbonylContact O-C 3.58Å; I691-C695 VanDerWaalsContact O-CA 3.28Å; I691-C695 WeakPolarHBondContact O-CA 3.39Å; I691-C695 PolarHBondContact O-N 3.39Å; C695-D697 VanDerWaalsContact C-N 3.25Å; C695-D697 PolarHBondContact O-N 2.75Å; C695-V698 HydrophobicContact CB-CB 4.38Å; C695-V698 HydrophobicContact CB-CG2 4.04Å; C695-V698 WeakPolarHBondContact O-CB 3.35Å; C695-V698 PolarHBondContact O-N 3.19Å; C695-V705 HydrophobicContact CB-CG1 4.49Å; C695-C708 VanDerWaalsContact CA-SG 3.52Å; C695-C708 HydrophobicContact CB-CB 3.93Å; C695-C708 WeakPolarHBondContact CB-SG 3.29Å; C695-C708 WeakPolarHBondContact SG-CB 3.44Å; C695-C708 CovalentContact SG-SG 2.04Å; C695-C708 PolarHBondContact SG-SG 3.29Å
696	N	91.9	Very high	90.7	Very high	115 Å²	115	60 Å²	60	62%	0.615	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31	-173.7	-154.8	24.8	0	0	0	113.3	I691 K692 V698	I691-N696 PolarHBondContact O-N 3.21Å; I691-N696 VanDerWaalsContact O-N 3.16Å; K692-N696 WeakPolarHBondContact O-CB 3.4Å; N696-V698 VanDerWaalsContact C-N 3.28Å; N696-V698 PolarHBondContact O-N 2.93Å
697	D	92.1	Very high	90.5	Very high	162 Å²	162	63.1 Å²	63.1	87%	0.866	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	1.1	179.9	-57.7	-39.5	0	0	0	112.9	C695	C695-D697 VanDerWaalsContact C-N 3.25Å; C695-D697 PolarHBondContact O-N 2.75Å
698	V	90.9	Very high	90.4	Very high	41 Å²	41	64.5 Å²	64.5	25%	0.248	34%	0.339	C	S	.	.	S	Bend	trans	-90	118.8	-177.3	-176.5	0	0	0	0	109.9	C695 N696 P700 K704 V705 C708	C695-V698 HydrophobicContact CB-CB 4.38Å; C695-V698 HydrophobicContact CB-CG2 4.04Å; C695-V698 WeakPolarHBondContact O-CB 3.35Å; C695-V698 PolarHBondContact O-N 3.19Å; N696-V698 VanDerWaalsContact C-N 3.28Å; N696-V698 PolarHBondContact O-N 2.93Å; V698-P700 WeakPolarHBondContact O-CD 3.47Å; V698-K704 HydrophobicContact CG1-CB 3.55Å; V698-V705 HydrophobicContact CB-CG2 4.3Å; V698-V705 HydrophobicContact CG1-CG2 3.88Å; V698-C708 HydrophobicContact CG2-CB 3.93Å
699	T	84.4	Confident	90.4	Very high	86 Å²	86	61.7 Å²	61.7	53%	0.528	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-60	123.5	172.9	46.2	0	0	0	0	110.9	K704	T699-K704 PolarHBondContact OG1-NZ 3.46Å
700	P	80.3	Confident	90.3	Very high	78 Å²	78	55.5 Å²	55.5	51%	0.506	29%	0.292	S	S	.	.	S	Bend	trans	-58	147.6	176.1	-29.4	37.8	0	0	0	113.8	V698	V698-P700 WeakPolarHBondContact O-CD 3.47Å
701	G	79.3	Confident	90.1	Very high	2 Å²	2	57.2 Å²	57.2	2%	0.021	31%	0.305	C	S	.	.	S	Bend	trans	98.3	173.1	-178.6	0	0	0	0	0	115	A675 G703 K704	A675-G701 CarbonylContact O-C 3.39Å; G701-G703 PolarHBondContact O-N 3.24Å; G701-K704 WeakPolarHBondContact O-CB 3.31Å; G701-K704 WeakPolarHBondContact O-CG 3.35Å; G701-K704 PolarHBondContact O-N 2.88Å
702	D	79.8	Confident	89.9	Confident	81 Å²	81	56.7 Å²	56.7	43%	0.433	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	26.6	-177.9	-40.9	-34.2	0	0	0	114	K598 A675 K704	K598-D702 IonicContact NZ-OD1 3.06Å; K598-D702 PolarHBondContact NZ-OD1 2.78Å; A675-D702 CarbonylContact O-C 3.55Å; A675-D702 WeakPolarHBondContact O-CA 3.33Å; A675-D702 PolarHBondContact O-N 3.39Å; D702-K704 HydrophobicContact CB-CG 4.49Å; D702-K704 PolarHBondContact O-N 3.28Å; D702-K704 IonicContact OD2-NZ 3.72Å
703	G	85.3	Confident	89.7	Confident	9 Å²	9	50.9 Å²	50.9	9%	0.093	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	6.2	-177	0	0	0	0	0	114.7	A675 G701 V705 L706 V707	A675-G703 PolarHBondContact O-N 2.89Å; G701-G703 PolarHBondContact O-N 3.24Å; G703-V705 PolarHBondContact O-N 3.42Å; G703-L706 WeakPolarHBondContact O-CB 3.49Å; G703-L706 PolarHBondContact O-N 3.18Å; G703-L706 VanDerWaalsContact O-N 3.14Å; G703-V707 WeakPolarHBondContact O-CG2 2.99Å; G703-V707 PolarHBondContact O-N 3.16Å
704	K	90.1	Very high	89.5	Confident	90 Å²	90	49.5 Å²	49.5	39%	0.391	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-43.5	-171.3	-65.6	172.9	-175.4	163.1	0	112.9	V698 T699 G701 D702 L706 V707 C708	V698-K704 HydrophobicContact CG1-CB 3.55Å; T699-K704 PolarHBondContact OG1-NZ 3.46Å; G701-K704 WeakPolarHBondContact O-CB 3.31Å; G701-K704 WeakPolarHBondContact O-CG 3.35Å; G701-K704 PolarHBondContact O-N 2.88Å; D702-K704 HydrophobicContact CB-CG 4.49Å; D702-K704 PolarHBondContact O-N 3.28Å; D702-K704 IonicContact OD2-NZ 3.72Å; K704-L706 VanDerWaalsContact C-N 3.34Å; K704-V707 PolarHBondContact O-N 3.33Å; K704-C708 PolarHBondContact O-N 2.84Å
705	V	92.1	Very high	89.3	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-39	177.4	-178.9	0	0	0	0	110.8	I677 I691 C695 V698 G703 C708 L709	I677-V705 HydrophobicContact CG2-CB 3.87Å; I677-V705 HydrophobicContact CG2-CG1 3.76Å; I691-V705 HydrophobicContact CD1-CG1 4.13Å; I691-V705 HydrophobicContact CG1-CG1 3.9Å; I691-V705 HydrophobicContact CG2-CG1 3.92Å; C695-V705 HydrophobicContact CB-CG1 4.49Å; V698-V705 HydrophobicContact CB-CG2 4.3Å; V698-V705 HydrophobicContact CG1-CG2 3.88Å; G703-V705 PolarHBondContact O-N 3.42Å; V705-C708 WeakPolarHBondContact O-CB 3.47Å; V705-C708 PolarHBondContact O-N 3.48Å; V705-L709 HydrophobicContact CG1-CD1 4.35Å; V705-L709 WeakPolarHBondContact O-CG 3.03Å; V705-L709 PolarHBondContact O-N 3.42Å
706	L	92.1	Very high	88.8	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-42.5	174.4	-70.4	176	0	0	0	112	E673 L674 I677 L683 G703 K704 C708 L709 L710 L728 W735	E673-L706 WeakPolarHBondContact O-CD1 3.27Å; L674-L706 HydrophobicContact CD1-CD1 4.26Å; L674-L706 WeakPolarHBondContact O-CD1 3.38Å; I677-L706 HydrophobicContact CB-CD2 3.85Å; I677-L706 HydrophobicContact CB-CG 4.01Å; I677-L706 HydrophobicContact CD1-CD2 3.8Å; I677-L706 HydrophobicContact CG1-CD2 3.97Å; L683-L706 HydrophobicContact CD2-CD2 3.66Å; G703-L706 WeakPolarHBondContact O-CB 3.49Å; G703-L706 PolarHBondContact O-N 3.18Å; G703-L706 VanDerWaalsContact O-N 3.14Å; K704-L706 VanDerWaalsContact C-N 3.34Å; L706-C708 VanDerWaalsContact C-N 3.33Å; L706-C708 PolarHBondContact O-N 2.93Å; L706-L709 PolarHBondContact O-N 3.44Å; L706-L710 VanDerWaalsContact O-CB 3.32Å; L706-L710 WeakPolarHBondContact O-CB 3.43Å; L706-L710 WeakPolarHBondContact O-CG 3.26Å; L706-L710 PolarHBondContact O-N 2.94Å; L706-L728 HydrophobicContact CD2-CD1 4.34Å; L706-W735 HydrophobicContact CD1-CH2 3.61Å; L706-W735 HydrophobicContact CD1-CZ2 4.05Å; L706-W735 HydrophobicContact CD1-CZ3 4.14Å; L706-W735 HydrophobicContact CD2-CH2 3.59Å; L706-W735 HydrophobicContact CD2-CZ3 4.21Å; L706-W735 HydrophobicContact CG-CH2 4.2Å
707	V	91.2	Very high	88.5	Confident	73 Å²	73	54.2 Å²	54.2	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-43.9	174.4	172.2	0	0	0	0	110.5	G703 K704 L710 S711 L745	G703-V707 WeakPolarHBondContact O-CG2 2.99Å; G703-V707 PolarHBondContact O-N 3.16Å; K704-V707 PolarHBondContact O-N 3.33Å; V707-L710 PolarHBondContact O-N 2.82Å; V707-S711 WeakPolarHBondContact O-CB 3.31Å; V707-S711 PolarHBondContact O-N 3.3Å; V707-S711 PolarHBondContact O-OG 3.38Å; V707-S711 VanDerWaalsContact O-OG 3.08Å; V707-L745 HydrophobicContact CG1-CD2 4.37Å
708	C	94.5	Very high	88.2	Confident	28 Å²	28	47.6 Å²	47.6	19%	0.189	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-49.6	175.3	175.6	0	0	0	0	112.1	C695 V698 K704 V705 L706 L710 S711 A712	C695-C708 VanDerWaalsContact CA-SG 3.52Å; C695-C708 HydrophobicContact CB-CB 3.93Å; C695-C708 WeakPolarHBondContact CB-SG 3.29Å; C695-C708 WeakPolarHBondContact SG-CB 3.44Å; C695-C708 CovalentContact SG-SG 2.04Å; C695-C708 PolarHBondContact SG-SG 3.29Å; V698-C708 HydrophobicContact CG2-CB 3.93Å; K704-C708 PolarHBondContact O-N 2.84Å; V705-C708 WeakPolarHBondContact O-CB 3.47Å; V705-C708 PolarHBondContact O-N 3.48Å; L706-C708 VanDerWaalsContact C-N 3.33Å; L706-C708 PolarHBondContact O-N 2.93Å; C708-L710 PolarHBondContact O-N 2.84Å; C708-S711 WeakPolarHBondContact O-CB 3.24Å; C708-S711 PolarHBondContact O-N 3.1Å; C708-A712 VanDerWaalsContact O-CB 3.31Å; C708-A712 WeakPolarHBondContact O-CB 3.43Å; C708-A712 PolarHBondContact O-N 3.28Å
709	L	93.9	Very high	88.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-40.1	178.3	-74.6	174.8	0	0	0	112.5	I677 C687 D690 I691 V705 L706 S711 A712 A713 L720 L728	I677-L709 HydrophobicContact CD1-CD1 3.43Å; I677-L709 VanDerWaalsContact CD1-CD1 3.43Å; C687-L709 HydrophobicContact CB-CD1 4Å; D690-L709 HydrophobicContact CB-CD2 4.3Å; I691-L709 HydrophobicContact CD1-CD1 4.26Å; I691-L709 HydrophobicContact CG1-CD1 3.79Å; I691-L709 HydrophobicContact CG1-CD2 4.09Å; I691-L709 HydrophobicContact CG1-CG 4.23Å; V705-L709 HydrophobicContact CG1-CD1 4.35Å; V705-L709 WeakPolarHBondContact O-CG 3.03Å; V705-L709 PolarHBondContact O-N 3.42Å; L706-L709 PolarHBondContact O-N 3.44Å; L709-S711 VanDerWaalsContact C-N 3.35Å; L709-A712 PolarHBondContact O-N 3.18Å; L709-A713 WeakPolarHBondContact O-CB 3.15Å; L709-A713 PolarHBondContact O-N 3.35Å; L709-L720 HydrophobicContact CD2-CD2 4.3Å; L709-L728 HydrophobicContact CB-CD1 4.4Å; L709-L728 HydrophobicContact CB-CD2 3.9Å
710	L	91.8	Very high	88.5	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-35.7	177.2	-73.9	170.2	0	0	0	112.3	L706 V707 C708 Q714 L728 K732 I743 L745	L706-L710 VanDerWaalsContact O-CB 3.32Å; L706-L710 WeakPolarHBondContact O-CB 3.43Å; L706-L710 WeakPolarHBondContact O-CG 3.26Å; L706-L710 PolarHBondContact O-N 2.94Å; V707-L710 PolarHBondContact O-N 2.82Å; C708-L710 PolarHBondContact O-N 2.84Å; L710-Q714 WeakPolarHBondContact O-CG 3.4Å; L710-L728 HydrophobicContact CD2-CD1 4.11Å; L710-L728 HydrophobicContact CD2-CD2 4.09Å; L710-L728 HydrophobicContact CD2-CG 3.91Å; L710-L728 HydrophobicContact CG-CD1 4.31Å; L710-L728 HydrophobicContact CG-CD2 4.47Å; L710-K732 HydrophobicContact CD2-CB 4.39Å; L710-K732 HydrophobicContact CD2-CD 4.09Å; L710-K732 HydrophobicContact CD2-CG 4.37Å; L710-I743 HydrophobicContact CD1-CD1 4.39Å; L710-I743 HydrophobicContact CD1-CG2 3.81Å; L710-L745 HydrophobicContact CB-CD1 4.33Å; L710-L745 HydrophobicContact CB-CD2 3.83Å
711	S	91.6	Very high	89.2	Confident	48 Å²	48	47.4 Å²	47.4	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-45.9	171.2	-65.2	0	0	0	0	111.4	V707 C708 L709 A713 Q714 S715 L745	V707-S711 WeakPolarHBondContact O-CB 3.31Å; V707-S711 PolarHBondContact O-N 3.3Å; V707-S711 PolarHBondContact O-OG 3.38Å; V707-S711 VanDerWaalsContact O-OG 3.08Å; C708-S711 WeakPolarHBondContact O-CB 3.24Å; C708-S711 PolarHBondContact O-N 3.1Å; L709-S711 VanDerWaalsContact C-N 3.35Å; S711-A713 VanDerWaalsContact C-N 3.31Å; S711-A713 PolarHBondContact O-N 2.94Å; S711-Q714 PolarHBondContact O-N 3.44Å; S711-Q714 VanDerWaalsContact O-N 3.11Å; S711-S715 PolarHBondContact O-N 3.06Å; S711-L745 WeakPolarHBondContact OG-CD2 3.4Å
712	A	91.7	Very high	89.9	Confident	10 Å²	10	54.1 Å²	54.1	8%	0.083	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-41.8	176.9	0	0	0	0	0	111.7	C708 L709 Q714 S715 V718 L720	C708-A712 VanDerWaalsContact O-CB 3.31Å; C708-A712 WeakPolarHBondContact O-CB 3.43Å; C708-A712 PolarHBondContact O-N 3.28Å; L709-A712 PolarHBondContact O-N 3.18Å; A712-Q714 PolarHBondContact O-N 3.47Å; A712-S715 PolarHBondContact O-N 3.04Å; A712-V718 HydrophobicContact CB-CG1 3.83Å; A712-V718 WeakPolarHBondContact O-CB 2.92Å; A712-L720 HydrophobicContact CB-CD2 4.13Å
713	A	90.3	Very high	90.6	Very high	18 Å²	18	56.4 Å²	56.4	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-25.5	177.4	0	0	0	0	0	113.8	L709 S711 L720 R725 L728	L709-A713 WeakPolarHBondContact O-CB 3.15Å; L709-A713 PolarHBondContact O-N 3.35Å; S711-A713 VanDerWaalsContact C-N 3.31Å; S711-A713 PolarHBondContact O-N 2.94Å; A713-L720 HydrophobicContact CB-CD1 3.58Å; A713-R725 PolarHBondContact O-NH1 2.93Å; A713-L728 HydrophobicContact CB-CD2 4.14Å
714	Q	88.3	Confident	91.1	Very high	109 Å²	109	56 Å²	56	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-93.9	-17.2	-179.9	-68.7	-179.6	11.2	0	0	113.8	L710 S711 A712 L745	L710-Q714 WeakPolarHBondContact O-CG 3.4Å; S711-Q714 PolarHBondContact O-N 3.44Å; S711-Q714 VanDerWaalsContact O-N 3.11Å; A712-Q714 PolarHBondContact O-N 3.47Å; Q714-L745 HydrophobicContact CG-CD1 4.5Å; Q714-L745 VanDerWaalsContact OE1-CD1 3.24Å
715	S	89	Confident	91.3	Very high	49 Å²	49	55.1 Å²	55.1	34%	0.343	31%	0.305	S	S	.	.			trans	-72.9	134.2	178.8	-177.7	0	0	0	0	110.6	S711 A712 N717 V718	S711-S715 PolarHBondContact O-N 3.06Å; A712-S715 PolarHBondContact O-N 3.04Å; S715-N717 PolarHBondContact O-N 3.11Å; S715-N717 PolarHBondContact OG-N 2.93Å; S715-V718 PolarHBondContact O-N 3.35Å
716	S	84.8	Confident	91.4	Very high	103 Å²	103	58 Å²	58	72%	0.72	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.3	173.5	55.7	0	0	0	0	113.1
717	N	84.7	Confident	91.5	Very high	138 Å²	138	60.9 Å²	60.9	74%	0.738	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5	-173.8	-60.9	-14.5	0	0	0	112.9	S715	S715-N717 PolarHBondContact O-N 3.11Å; S715-N717 PolarHBondContact OG-N 2.93Å
718	V	86.3	Confident	91.6	Very high	24 Å²	24	57.5 Å²	57.5	15%	0.145	32%	0.317	C	S	.	.			trans	-126.1	124.3	-174.4	175.3	0	0	0	0	110.6	Y694 A712 S715 L720 R725	Y694-V718 HydrophobicContact CD1-CG1 3.76Å; Y694-V718 HydrophobicContact CD1-CG2 4.21Å; Y694-V718 HydrophobicContact CD2-CG1 3.85Å; Y694-V718 HydrophobicContact CE1-CB 4.32Å; Y694-V718 HydrophobicContact CE1-CG1 3.62Å; Y694-V718 HydrophobicContact CE1-CG2 4.19Å; Y694-V718 HydrophobicContact CE2-CG1 3.7Å; Y694-V718 HydrophobicContact CG-CG1 3.87Å; A712-V718 HydrophobicContact CB-CG1 3.83Å; A712-V718 WeakPolarHBondContact O-CB 2.92Å; S715-V718 PolarHBondContact O-N 3.35Å; V718-L720 HydrophobicContact CG1-CD2 4.04Å; V718-L720 HydrophobicContact CG1-CG 4.37Å; V718-R725 PolarHBondContact O-NH2 3.46Å
719	H	89.6	Confident	91.6	Very high	147 Å²	147	59.7 Å²	59.7	68%	0.681	33%	0.327	S	S	*	.			trans	-109.6	84.2	178.6	-69.3	-75.4	0	0	0	110.1	Y694	Y694-H719 PolarHBondContact OH-N 3.38Å; Y694-H719 PolarHBondContact OH-O 2.93Å
720	L	92.2	Very high	91.5	Very high	7 Å²	7	63.5 Å²	63.5	4%	0.037	35%	0.347	C	S	.	.			trans	-59.1	145.2	165.6	-56.2	-177.4	0	0	0	110.3	D690 Y694 L709 A712 A713 V718 R725 L728	D690-L720 HydrophobicContact CB-CD2 3.89Å; D690-L720 WeakPolarHBondContact OD1-CA 3.32Å; Y694-L720 HydrophobicContact CD2-CD2 3.72Å; Y694-L720 HydrophobicContact CE2-CD2 3.99Å; L709-L720 HydrophobicContact CD2-CD2 4.3Å; A712-L720 HydrophobicContact CB-CD2 4.13Å; A713-L720 HydrophobicContact CB-CD1 3.58Å; V718-L720 HydrophobicContact CG1-CD2 4.04Å; V718-L720 HydrophobicContact CG1-CG 4.37Å; L720-R725 HydrophobicContact CB-CB 4.42Å; L720-L728 HydrophobicContact CD1-CD2 4.23Å
721	S	94.4	Very high	91.5	Very high	47 Å²	47	63.8 Å²	63.8	33%	0.329	35%	0.348	S	S	.	.			trans	-53.2	150	170.9	68.7	0	0	0	0	112	D690 E723 C724 R725	D690-S721 PolarHBondContact OD1-N 2.87Å; D690-S721 WeakPolarHBondContact OD2-CB 3.15Å; D690-S721 PolarHBondContact OD2-N 2.88Å; D690-S721 PolarHBondContact OD2-OG 3.34Å; S721-E723 PolarHBondContact O-N 3.07Å; S721-C724 PolarHBondContact O-N 3.36Å; S721-C724 WeakPolarHBondContact OG-CB 3.34Å; S721-C724 PolarHBondContact OG-N 3.04Å; S721-R725 VanDerWaalsContact O-CB 3.28Å; S721-R725 WeakPolarHBondContact O-CB 3.46Å; S721-R725 PolarHBondContact O-N 3.31Å
722	D	94.4	Very high	91.4	Very high	143 Å²	143	65.3 Å²	65.3	77%	0.765	35%	0.349	S	S	*	.	H	α-helix	trans	-60.2	-36.8	180	-69.4	-29.9	0	0	0	111.7	S726	D722-S726 VanDerWaalsContact O-CB 3.25Å; D722-S726 WeakPolarHBondContact O-CB 3.07Å; D722-S726 PolarHBondContact O-N 2.95Å
723	E	94.6	Very high	91.4	Very high	128 Å²	128	69.9 Å²	69.9	60%	0.598	37%	0.37	S	S	*	.	H	α-helix	trans	-65.4	-51.3	177.6	-164.4	179.2	174.9	0	0	111.4	A686 S721 R725 S726 K727	A686-E723 HydrophobicContact CB-CG 3.88Å; S721-E723 PolarHBondContact O-N 3.07Å; E723-R725 PolarHBondContact O-N 3.1Å; E723-S726 PolarHBondContact O-N 2.91Å; E723-K727 WeakPolarHBondContact O-CB 3.31Å; E723-K727 WeakPolarHBondContact O-CG 3.2Å; E723-K727 PolarHBondContact O-N 3.29Å
724	C	96.2	Very high	91.4	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-46.3	176.1	-179.5	0	0	0	0	111.3	A686 C687 D690 S721 S726 K727 L728	A686-C724 WeakPolarHBondContact O-CB 3.36Å; C687-C724 VanDerWaalsContact CA-SG 3.56Å; C687-C724 HydrophobicContact CB-CB 3.92Å; C687-C724 WeakPolarHBondContact CB-SG 3.42Å; C687-C724 WeakPolarHBondContact SG-CA 3.41Å; C687-C724 WeakPolarHBondContact SG-CB 3.36Å; C687-C724 CovalentContact SG-SG 2.05Å; C687-C724 PolarHBondContact SG-SG 2.64Å; D690-C724 WeakPolarHBondContact OD2-CB 3.07Å; S721-C724 PolarHBondContact O-N 3.36Å; S721-C724 WeakPolarHBondContact OG-CB 3.34Å; S721-C724 PolarHBondContact OG-N 3.04Å; C724-S726 PolarHBondContact O-N 3.05Å; C724-K727 PolarHBondContact O-N 3.02Å; C724-L728 WeakPolarHBondContact O-CB 3.32Å; C724-L728 PolarHBondContact O-N 3.26Å
725	R	94.6	Very high	91.5	Very high	73 Å²	73	64 Å²	64	28%	0.275	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-44.8	-179	-174	178.6	-63	-89.9	0.6	111.7	A713 V718 L720 S721 E723 N729	A713-R725 PolarHBondContact O-NH1 2.93Å; V718-R725 PolarHBondContact O-NH2 3.46Å; L720-R725 HydrophobicContact CB-CB 4.42Å; S721-R725 VanDerWaalsContact O-CB 3.28Å; S721-R725 WeakPolarHBondContact O-CB 3.46Å; S721-R725 PolarHBondContact O-N 3.31Å; E723-R725 PolarHBondContact O-N 3.1Å; R725-N729 WeakPolarHBondContact O-CB 3.43Å; R725-N729 VanDerWaalsContact O-CG 3.27Å; R725-N729 PolarHBondContact O-N 3.07Å; R725-N729 VanDerWaalsContact O-N 3.12Å; R725-N729 PolarHBondContact O-ND2 3.02Å; R725-N729 VanDerWaalsContact O-ND2 3.14Å
726	S	94.1	Very high	91.4	Very high	64 Å²	64	63.4 Å²	63.4	45%	0.448	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-53.6	177.4	-171.1	0	0	0	0	110.8	D722 E723 C724 L728 N729 D730	D722-S726 VanDerWaalsContact O-CB 3.25Å; D722-S726 WeakPolarHBondContact O-CB 3.07Å; D722-S726 PolarHBondContact O-N 2.95Å; E723-S726 PolarHBondContact O-N 2.91Å; C724-S726 PolarHBondContact O-N 3.05Å; S726-L728 PolarHBondContact O-N 2.04Å; S726-N729 PolarHBondContact O-N 3.04Å; S726-D730 PolarHBondContact O-N 3.43Å
727	K	93.4	Very high	91.5	Very high	64 Å²	64	62 Å²	62	28%	0.278	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-41.7	-177.9	-71	-64.9	-174	-175.5	0	112.5	L683 A686 E723 C724 N729 D730 R731	L683-K727 HydrophobicContact CD1-CB 3.88Å; A686-K727 HydrophobicContact CB-CB 4.13Å; A686-K727 HydrophobicContact CB-CG 3.91Å; E723-K727 WeakPolarHBondContact O-CB 3.31Å; E723-K727 WeakPolarHBondContact O-CG 3.2Å; E723-K727 PolarHBondContact O-N 3.29Å; C724-K727 PolarHBondContact O-N 3.02Å; K727-N729 VanDerWaalsContact C-N 3.29Å; K727-N729 PolarHBondContact O-N 3.01Å; K727-D730 PolarHBondContact O-N 3.21Å; K727-R731 WeakPolarHBondContact O-CG 3.38Å; K727-R731 PolarHBondContact O-N 2.03Å
728	L	94.4	Very high	91.2	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-37.9	177.4	-173	67.5	0	0	0	111.6	L683 L706 L709 L710 A713 L720 C724 S726 K732	L683-L728 HydrophobicContact CD1-CB 4.2Å; L683-L728 HydrophobicContact CD1-CD1 4.31Å; L683-L728 HydrophobicContact CD2-CD1 4.36Å; L706-L728 HydrophobicContact CD2-CD1 4.34Å; L709-L728 HydrophobicContact CB-CD1 4.4Å; L709-L728 HydrophobicContact CB-CD2 3.9Å; L710-L728 HydrophobicContact CD2-CD1 4.11Å; L710-L728 HydrophobicContact CD2-CD2 4.09Å; L710-L728 HydrophobicContact CD2-CG 3.91Å; L710-L728 HydrophobicContact CG-CD1 4.31Å; L710-L728 HydrophobicContact CG-CD2 4.47Å; A713-L728 HydrophobicContact CB-CD2 4.14Å; L720-L728 HydrophobicContact CD1-CD2 4.23Å; C724-L728 WeakPolarHBondContact O-CB 3.32Å; C724-L728 PolarHBondContact O-N 3.26Å; S726-L728 PolarHBondContact O-N 2.04Å; L728-K732 WeakPolarHBondContact O-CB 3.13Å; L728-K732 PolarHBondContact O-N 3.24Å
729	N	92.6	Very high	90.6	Very high	75 Å²	75	55.9 Å²	55.9	40%	0.401	29%	0.291	S	S	.	.	H	α-helix	trans	-67	-44.9	174.3	-77.7	-30	0	0	0	112	R725 S726 K727 R731 K732 I733	R725-N729 WeakPolarHBondContact O-CB 3.43Å; R725-N729 VanDerWaalsContact O-CG 3.27Å; R725-N729 PolarHBondContact O-N 3.07Å; R725-N729 VanDerWaalsContact O-N 3.12Å; R725-N729 PolarHBondContact O-ND2 3.02Å; R725-N729 VanDerWaalsContact O-ND2 3.14Å; S726-N729 PolarHBondContact O-N 3.04Å; K727-N729 VanDerWaalsContact C-N 3.29Å; K727-N729 PolarHBondContact O-N 3.01Å; N729-R731 VanDerWaalsContact C-N 3.29Å; N729-R731 PolarHBondContact O-N 2.87Å; N729-K732 PolarHBondContact O-N 3.13Å; N729-I733 WeakPolarHBondContact O-CG1 3.49Å; N729-I733 PolarHBondContact O-N 3.16Å; N729-I733 VanDerWaalsContact O-N 3.17Å
730	D	92	Very high	89.4	Confident	79 Å²	79	60.4 Å²	60.4	42%	0.422	30%	0.303	S	S	.	.	H	α-helix	trans	-56.7	-45.9	175.8	-66	-21.7	0	0	0	110.9	S726 K727 I733 L734	S726-D730 PolarHBondContact O-N 3.43Å; K727-D730 PolarHBondContact O-N 3.21Å; D730-I733 PolarHBondContact O-N 3.05Å; D730-L734 WeakPolarHBondContact O-CB 3.38Å; D730-L734 PolarHBondContact O-N 3.01Å
731	R	92	Very high	87.5	Confident	12 Å²	12	64 Å²	64	5%	0.045	33%	0.325	C	S	.	.	H	α-helix	trans	-67.6	-38.9	178.5	-67.4	-51.9	-164	-128	-2.6	113.6	E646 D680 L683 K727 N729 I733 L734 W735	E646-R731 IonicContact OE1-CZ 3.47Å; E646-R731 IonicContact OE1-NH1 2.63Å; E646-R731 PolarHBondContact OE1-NH1 3.25Å; E646-R731 IonicContact OE1-NH2 2.69Å; E646-R731 PolarHBondContact OE1-NH2 2.8Å; E646-R731 IonicContact OE2-CZ 3.4Å; E646-R731 IonicContact OE2-NH1 3.95Å; E646-R731 PolarHBondContact OE2-NH1 3.2Å; E646-R731 IonicContact OE2-NH2 3.71Å; E646-R731 PolarHBondContact OE2-NH2 3.15Å; E646-R731 VanDerWaalsContact OE2-NH2 3.14Å; D680-R731 IonicContact OD1-CZ 3.88Å; D680-R731 IonicContact OD1-NE 3.78Å; D680-R731 IonicContact OD1-NH2 3.95Å; D680-R731 PolarHBondContact OD1-NH2 3.21Å; D680-R731 WeakPolarHBondContact OD2-CD 3.23Å; D680-R731 IonicContact OD2-CZ 3.48Å; D680-R731 IonicContact OD2-NE 2.7Å; D680-R731 PolarHBondContact OD2-NE 2.94Å; D680-R731 IonicContact OD2-NH2 2.73Å; D680-R731 PolarHBondContact OD2-NH2 3.28Å; L683-R731 HydrophobicContact CD1-CG 4.35Å; L683-R731 HydrophobicContact CD2-CB 4.43Å; L683-R731 HydrophobicContact CD2-CG 4.14Å; K727-R731 WeakPolarHBondContact O-CG 3.38Å; K727-R731 PolarHBondContact O-N 2.03Å; N729-R731 VanDerWaalsContact C-N 3.29Å; N729-R731 PolarHBondContact O-N 2.87Å; R731-I733 VanDerWaalsContact C-N 3.27Å; R731-I733 PolarHBondContact O-N 2.87Å; R731-L734 WeakPolarHBondContact O-CB 3.43Å; R731-L734 PolarHBondContact O-N 3.39Å; R731-L734 VanDerWaalsContact O-N 3.17Å; R731-W735 HydrophobicContact CB-CD2 4.19Å; R731-W735 HydrophobicContact CB-CE3 4.14Å; R731-W735 HydrophobicContact CB-CH2 3.65Å; R731-W735 HydrophobicContact CB-CZ2 3.72Å; R731-W735 HydrophobicContact CB-CZ3 3.87Å; R731-W735 HydrophobicContact CG-CH2 4.41Å; R731-W735 HydrophobicContact CG-CZ2 4.22Å; R731-W735 VanDerWaalsContact O-CD2 3.24Å; R731-W735 VanDerWaalsContact O-CG 3.29Å; R731-W735 PolarHBondContact O-N 3.2Å
732	K	91.1	Very high	85.2	Confident	80 Å²	80	71.3 Å²	71.3	35%	0.348	35%	0.345	S	S	.	.	H	α-helix	trans	-56.8	-42.5	174.3	-176.4	-175.3	179.8	-177.3	0	111.7	L710 L728 N729 G736	L710-K732 HydrophobicContact CD2-CB 4.39Å; L710-K732 HydrophobicContact CD2-CD 4.09Å; L710-K732 HydrophobicContact CD2-CG 4.37Å; L728-K732 WeakPolarHBondContact O-CB 3.13Å; L728-K732 PolarHBondContact O-N 3.24Å; N729-K732 PolarHBondContact O-N 3.13Å; K732-G736 PolarHBondContact O-N 2.89Å; K732-G736 VanDerWaalsContact O-N 3.15Å
733	I	90.9	Very high	83.2	Confident	106 Å²	106	66.9 Å²	66.9	54%	0.544	32%	0.321	S	S	.	.	H	α-helix	trans	-68.7	-45.2	177.3	-59	169.1	0	0	0	109.9	M653 N729 D730 R731 G736 K737	M653-I733 HydrophobicContact CE-CB 4.46Å; M653-I733 HydrophobicContact CE-CG2 3.49Å; M653-I733 VanDerWaalsContact CE-CG2 3.49Å; N729-I733 WeakPolarHBondContact O-CG1 3.49Å; N729-I733 PolarHBondContact O-N 3.16Å; N729-I733 VanDerWaalsContact O-N 3.17Å; D730-I733 PolarHBondContact O-N 3.05Å; R731-I733 VanDerWaalsContact C-N 3.27Å; R731-I733 PolarHBondContact O-N 2.87Å; I733-G736 PolarHBondContact O-N 2.89Å; I733-K737 PolarHBondContact O-N 3.44Å; I733-K737 VanDerWaalsContact O-N 3.09Å
734	L	90.8	Very high	80.8	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-57.1	-54.5	178.6	-178	66.9	0	0	0	112.1	K649 Y652 M653 M670 D730 R731 G736 K737 A738	K649-L734 HydrophobicContact CB-CD1 4.39Å; K649-L734 HydrophobicContact CB-CD2 4.1Å; K649-L734 HydrophobicContact CD-CD2 3.93Å; K649-L734 HydrophobicContact CG-CD2 4Å; Y652-L734 HydrophobicContact CD1-CD1 4.34Å; M653-L734 HydrophobicContact CG-CD1 3.5Å; M653-L734 VanDerWaalsContact CG-CD1 3.5Å; M653-L734 HydrophobicContact SD-CB 4.32Å; M653-L734 HydrophobicContact SD-CD1 3.59Å; M653-L734 VanDerWaalsContact SD-CD1 3.59Å; M670-L734 HydrophobicContact CG-CD2 4.22Å; M670-L734 HydrophobicContact CG-CG 4.31Å; M670-L734 HydrophobicContact SD-CD1 3.5Å; M670-L734 WeakPolarHBondContact SD-CD1 3.21Å; M670-L734 HydrophobicContact SD-CD2 3.92Å; M670-L734 HydrophobicContact SD-CG 3.44Å; M670-L734 WeakPolarHBondContact SD-CG 3.15Å; D730-L734 WeakPolarHBondContact O-CB 3.38Å; D730-L734 PolarHBondContact O-N 3.01Å; R731-L734 WeakPolarHBondContact O-CB 3.43Å; R731-L734 PolarHBondContact O-N 3.39Å; R731-L734 VanDerWaalsContact O-N 3.17Å; L734-G736 VanDerWaalsContact C-N 3.32Å; L734-G736 PolarHBondContact O-N 3.1Å; L734-K737 WeakPolarHBondContact O-CB 3.47Å; L734-K737 PolarHBondContact O-N 3.43Å; L734-K737 VanDerWaalsContact O-N 3.16Å; L734-A738 PolarHBondContact O-N 3.2Å
735	W	89.1	Confident	78	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-38	179	-61.5	-38.3	0	0	0	112.5	M670 L674 L683 L706 R731 K737 A738 T739 I743	M670-W735 PolarHBondContact O-NE1 2.9Å; L674-W735 HydrophobicContact CB-CD2 4.43Å; L674-W735 HydrophobicContact CB-CG 4.4Å; L674-W735 HydrophobicContact CD1-CB 4.44Å; L674-W735 HydrophobicContact CD1-CD2 3.72Å; L674-W735 HydrophobicContact CD1-CE3 3.67Å; L674-W735 HydrophobicContact CD1-CG 4.09Å; L674-W735 HydrophobicContact CD1-CZ3 4.17Å; L683-W735 HydrophobicContact CD2-CH2 3.62Å; L683-W735 HydrophobicContact CD2-CZ2 4.07Å; L706-W735 HydrophobicContact CD1-CH2 3.61Å; L706-W735 HydrophobicContact CD1-CZ2 4.05Å; L706-W735 HydrophobicContact CD1-CZ3 4.14Å; L706-W735 HydrophobicContact CD2-CH2 3.59Å; L706-W735 HydrophobicContact CD2-CZ3 4.21Å; L706-W735 HydrophobicContact CG-CH2 4.2Å; R731-W735 HydrophobicContact CB-CD2 4.19Å; R731-W735 HydrophobicContact CB-CE3 4.14Å; R731-W735 HydrophobicContact CB-CH2 3.65Å; R731-W735 HydrophobicContact CB-CZ2 3.72Å; R731-W735 HydrophobicContact CB-CZ3 3.87Å; R731-W735 HydrophobicContact CG-CH2 4.41Å; R731-W735 HydrophobicContact CG-CZ2 4.22Å; R731-W735 VanDerWaalsContact O-CD2 3.24Å; R731-W735 VanDerWaalsContact O-CG 3.29Å; R731-W735 PolarHBondContact O-N 3.2Å; W735-K737 VanDerWaalsContact C-N 3.28Å; W735-K737 PolarHBondContact O-N 2.84Å; W735-A738 PolarHBondContact O-N 3.15Å; W735-T739 PolarHBondContact O-N 3.04Å; W735-T739 PolarHBondContact O-OG1 3.09Å; W735-I743 HydrophobicContact CE3-CD1 4.13Å
736	G	87.1	Confident	75.2	Confident	36 Å²	36	71.8 Å²	71.8	37%	0.371	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-39.6	175.6	0	0	0	0	0	112.4	K732 I733 L734	K732-G736 PolarHBondContact O-N 2.89Å; K732-G736 VanDerWaalsContact O-N 3.15Å; I733-G736 PolarHBondContact O-N 2.89Å; L734-G736 VanDerWaalsContact C-N 3.32Å; L734-G736 PolarHBondContact O-N 3.1Å
737	K	86.5	Confident	72.2	Confident	72 Å²	72	75.6 Å²	75.6	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-70.8	-42.6	174.8	-165.8	-178.4	-176.5	-170.2	0	112.2	Y652 M653 N655 I733 L734 W735	Y652-K737 HydrophobicContact CD1-CD 4.44Å; Y652-K737 HydrophobicContact CE1-CD 4.14Å; Y652-K737 HydrophobicContact CE1-CG 4.25Å; Y652-K737 PolarHBondContact O-NZ 3.46Å; M653-K737 HydrophobicContact CE-CD 4.15Å; M653-K737 PolarHBondContact O-NZ 3.49Å; M653-K737 HydrophobicContact SD-CB 4.13Å; M653-K737 HydrophobicContact SD-CD 3.54Å; M653-K737 VanDerWaalsContact SD-CD 3.54Å; M653-K737 HydrophobicContact SD-CG 4.48Å; N655-K737 WeakPolarHBondContact OD1-CE 3.42Å; N655-K737 PolarHBondContact OD1-NZ 2.96Å; I733-K737 PolarHBondContact O-N 3.44Å; I733-K737 VanDerWaalsContact O-N 3.09Å; L734-K737 WeakPolarHBondContact O-CB 3.47Å; L734-K737 PolarHBondContact O-N 3.43Å; L734-K737 VanDerWaalsContact O-N 3.16Å; W735-K737 VanDerWaalsContact C-N 3.28Å; W735-K737 PolarHBondContact O-N 2.84Å
738	A	79.3	Confident	69.3	Low	12 Å²	12	76 Å²	76	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-74.8	-37.3	-173.7	0	0	0	0	0	114.4	Y652 V667 M670 L734 W735	Y652-A738 HydrophobicContact CE1-CB 4.34Å; V667-A738 HydrophobicContact CG2-CB 4.18Å; M670-A738 HydrophobicContact CB-CB 4.17Å; M670-A738 HydrophobicContact CE-CB 3.67Å; M670-A738 HydrophobicContact CG-CB 4.49Å; M670-A738 HydrophobicContact SD-CB 3.45Å; M670-A738 WeakPolarHBondContact SD-CB 3.36Å; L734-A738 PolarHBondContact O-N 3.2Å; W735-A738 PolarHBondContact O-N 3.15Å
739	T	72.8	Confident	66.2	Low	22 Å²	22	91.1 Å²	91.1	14%	0.135	45%	0.451	C	S	.	.	H	α-helix	trans	-104.5	-12.3	-167.1	61.9	0	0	0	0	114.4	K671 L674 W735 V741	K671-T739 HydrophobicContact CG-CG2 3.85Å; L674-T739 HydrophobicContact CD2-CG2 4.19Å; W735-T739 PolarHBondContact O-N 3.04Å; W735-T739 PolarHBondContact O-OG1 3.09Å; T739-V741 PolarHBondContact O-N 3Å; T739-V741 PolarHBondContact OG1-N 3.45Å
740	R	65.2	Low	64.8	Low	243 Å²	243	92 Å²	92	92%	0.917	45%	0.454	S	S	*	.			trans	49.9	15.7	-165.9	-61.4	-175.7	-177.6	178	1.3	113.4
741	V	52.1	Low	63.4	Low	82 Å²	82	92.6 Å²	92.6	50%	0.497	46%	0.455	S	S	.	.			trans	-90.3	122.1	177.1	177.2	0	0	0	0	108.1	T739 I743	T739-V741 PolarHBondContact O-N 3Å; T739-V741 PolarHBondContact OG1-N 3.45Å; V741-I743 PolarHBondContact O-N 3.42Å
742	R	46.3	Very low	61.8	Low	201 Å²	201	97.1 Å²	97.1	76%	0.758	48%	0.478	S	S	*	.			trans	-72	111.4	164	-77.4	-177.6	176.3	170.5	-1.3	107.6	H744	R742-H744 VanDerWaalsContact C-N 3.25Å; R742-H744 VanDerWaalsContact CB-NE2 3.33Å; R742-H744 WeakPolarHBondContact CB-NE2 3.4Å; R742-H744 PolarHBondContact O-CD2 2.88Å; R742-H744 PolarHBondContact O-N 3.41Å
743	I	52.2	Low	60.1	Low	50 Å²	50	98.1 Å²	98.1	26%	0.256	49%	0.486	S	S	.	.			trans	-67.8	90	170.4	-55.4	172	0	0	0	107	L674 L710 W735 V741 L745	L674-I743 HydrophobicContact CD1-CD1 4.19Å; L710-I743 HydrophobicContact CD1-CD1 4.39Å; L710-I743 HydrophobicContact CD1-CG2 3.81Å; W735-I743 HydrophobicContact CE3-CD1 4.13Å; V741-I743 PolarHBondContact O-N 3.42Å; I743-L745 PolarHBondContact O-N 2.89Å
744	H	43.7	Very low	58.2	Low	138 Å²	138	97.6 Å²	97.6	64%	0.639	48%	0.482	S	S	*	.			trans	-81.5	110.5	177.6	-77.8	-67	0	0	0	109.2	R742 T746	R742-H744 VanDerWaalsContact C-N 3.25Å; R742-H744 VanDerWaalsContact CB-NE2 3.33Å; R742-H744 WeakPolarHBondContact CB-NE2 3.4Å; R742-H744 PolarHBondContact O-CD2 2.88Å; R742-H744 PolarHBondContact O-N 3.41Å; H744-T746 PolarHBondContact O-N 3.38Å
745	L	38.5	Very low	56	Low	38 Å²	38	103.8 Å²	103.8	20%	0.199	51%	0.513	C	S	.	.			trans	-76.7	100.3	166.3	-66	157.9	0	0	0	107.1	V707 L710 S711 Q714 I743 N747	V707-L745 HydrophobicContact CG1-CD2 4.37Å; L710-L745 HydrophobicContact CB-CD1 4.33Å; L710-L745 HydrophobicContact CB-CD2 3.83Å; S711-L745 WeakPolarHBondContact OG-CD2 3.4Å; Q714-L745 HydrophobicContact CG-CD1 4.5Å; Q714-L745 VanDerWaalsContact OE1-CD1 3.24Å; I743-L745 PolarHBondContact O-N 2.89Å; L745-N747 PolarHBondContact O-N 3.15Å
746	T	34.8	Very low	53.6	Low	128 Å²	128	111.2 Å²	111.2	79%	0.785	55%	0.549	S	S	*	.			trans	-76	104	168.6	48.5	0	0	0	0	107.8	H744 G748	H744-T746 PolarHBondContact O-N 3.38Å; T746-G748 PolarHBondContact O-N 3.49Å
747	N	31.9	Very low	51	Low	143 Å²	143	117 Å²	117	77%	0.765	56%	0.563	S	S	*	*			trans	-61.9	97.9	164.7	-80.2	-16.7	0	0	0	108.3	L745	L745-N747 PolarHBondContact O-N 3.15Å
748	G	32.5	Very low	48.1	Very low	73 Å²	73	120.8 Å²	120.8	75%	0.753	58%	0.584	S	S	*	*			trans	-65	126.2	159.2	0	0	0	0	0	108	T746	T746-G748 PolarHBondContact O-N 3.49Å
749	R	28	Very low	45.3	Very low	319 Å²	319	130.6 Å²	130.6	100%	1.204	63%	0.628	S	S	*	*			trans	-58.9	0	171.6	-80	-179	178.6	169.8	-0.8	111.9

Retrieved 749 of 749 residues in 846.4 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).