G4LVD2_SCHMA Loading...

HEAT repeat protein AlphaSync

AlphaFold DB , UniProt , Accession G4LVD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 689 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	36.5	Very low	36.9	Very low	230 Å²	230	149.5 Å²	149.5	100%	1.133	82%	0.816	S	S	*	*				0	92	0	-76.3	180	-169	0	0	108.1
2	F	39.7	Very low	38.1	Very low	207 Å²	207	143.2 Å²	143.2	91%	0.908	78%	0.779	S	S	*	*			trans	-123.2	120.7	165.1	-81.6	-80.2	0	0	0	105.9	S4	F2-S4 PolarHBondContact O-N 3.23Å
3	H	35.9	Very low	39.5	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.856	78%	0.775	S	S	*	*			trans	-66.8	118.7	-179.4	-83.2	38.2	0	0	0	109.3	S5	H3-S5 PolarHBondContact O-N 3.48Å
4	S	36.3	Very low	40.9	Very low	124 Å²	124	138 Å²	138	87%	0.867	75%	0.753	S	S	*	*			trans	-76.2	103.7	168	-61.9	0	0	0	0	109	F2 S6	F2-S4 PolarHBondContact O-N 3.23Å; S4-S6 PolarHBondContact O-N 2.93Å
5	S	35.1	Very low	42.3	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	75%	0.745	S	S	*	*			trans	-72.9	110.6	167.3	-42.9	0	0	0	0	108.6	H3 I7	H3-S5 PolarHBondContact O-N 3.48Å; S5-I7 PolarHBondContact O-N 2.99Å
6	S	32.7	Very low	44.9	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	72%	0.724	S	S	*	*			trans	-69.8	105.3	171.8	58	0	0	0	0	109.7	S4 V8	S4-S6 PolarHBondContact O-N 2.93Å; S6-V8 PolarHBondContact O-N 3.26Å
7	I	37.5	Very low	47.7	Very low	145 Å²	145	124.2 Å²	124.2	74%	0.744	68%	0.682	S	S	*	*			trans	-80.3	114.8	168.4	-63.9	173.2	0	0	0	107.2	S5 I9	S5-I7 PolarHBondContact O-N 2.99Å; I7-I9 HydrophobicContact CG2-CG1 4.43Å; I7-I9 PolarHBondContact O-N 3.47Å
8	V	31.2	Very low	50.2	Low	128 Å²	128	121.3 Å²	121.3	78%	0.776	67%	0.665	S	S	*	*			trans	-73.8	108.8	171.6	178.8	0	0	0	0	107.6	S6	S6-V8 PolarHBondContact O-N 3.26Å
9	I	39.6	Very low	52.4	Low	119 Å²	119	117.9 Å²	117.9	61%	0.61	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-84.5	116	175.6	-58.5	174.5	0	0	0	107.5	I7	I7-I9 HydrophobicContact CG2-CG1 4.43Å; I7-I9 PolarHBondContact O-N 3.47Å
10	Q	38.2	Very low	54.5	Low	169 Å²	169	112.1 Å²	112.1	79%	0.79	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-75.4	139.2	172	-77	-172.2	-17.5	0	0	110.1	M12	Q10-M12 PolarHBondContact O-N 2.9Å
11	P	43.4	Very low	56.5	Low	122 Å²	122	106.8 Å²	106.8	79%	0.792	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-66	128.7	171.1	28.3	-31.7	0	0	0	109.3
12	M	50.8	Low	59.3	Low	74 Å²	74	100 Å²	100	37%	0.365	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-78.4	140.8	175.6	-102.7	165.1	46.8	0	0	109.9	Q10 N16 I42	Q10-M12 PolarHBondContact O-N 2.9Å; M12-N16 HydrophobicContact CB-CB 4.34Å; M12-N16 HydrophobicContact CE-CB 3.44Å; M12-N16 VanDerWaalsContact CE-CB 3.44Å; M12-N16 WeakPolarHBondContact CE-ND2 3.32Å; M12-N16 WeakPolarHBondContact CE-O 3.46Å; M12-N16 HydrophobicContact CG-CB 4.19Å; M12-N16 WeakPolarHBondContact CG-ND2 3.39Å; M12-N16 HydrophobicContact SD-CB 4.38Å; M12-N16 PolarHBondContact SD-ND2 3.43Å; M12-I42 HydrophobicContact CE-CD1 4.02Å
13	E	56.9	Low	62.1	Low	157 Å²	157	92.2 Å²	92.2	73%	0.734	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-58.1	141.8	168.8	-68.2	-178.2	161.5	0	0	110	T15 N16	E13-T15 PolarHBondContact O-N 3.43Å; E13-N16 WeakPolarHBondContact O-CB 3.44Å; E13-N16 PolarHBondContact O-N 3.45Å
14	A	59.2	Low	65	Low	57 Å²	57	83.5 Å²	83.5	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-51.5	-28.5	-175.3	0	0	0	0	0	114.3	N16 L17 L18	A14-N16 PolarHBondContact O-N 2.86Å; A14-L17 PolarHBondContact O-N 2.89Å; A14-L18 PolarHBondContact O-N 3.09Å
15	T	61.9	Low	67.8	Low	103 Å²	103	78.2 Å²	78.2	63%	0.632	45%	0.445	S	S	*	.	H	α-helix	trans	-57.3	-31.9	173.6	11.7	0	0	0	0	113.4	E13 S19	E13-T15 PolarHBondContact O-N 3.43Å; T15-S19 PolarHBondContact O-N 3.28Å; T15-S19 PolarHBondContact O-OG 3.18Å
16	N	83.9	Confident	70.7	Confident	74 Å²	74	73.8 Å²	73.8	40%	0.396	42%	0.415	S	S	.	.	H	α-helix	trans	-87.3	-19.4	-178.1	-158.7	11.7	0	0	0	112.5	M12 E13 A14 S19 T20	M12-N16 HydrophobicContact CB-CB 4.34Å; M12-N16 HydrophobicContact CE-CB 3.44Å; M12-N16 VanDerWaalsContact CE-CB 3.44Å; M12-N16 WeakPolarHBondContact CE-ND2 3.32Å; M12-N16 WeakPolarHBondContact CE-O 3.46Å; M12-N16 HydrophobicContact CG-CB 4.19Å; M12-N16 WeakPolarHBondContact CG-ND2 3.39Å; M12-N16 HydrophobicContact SD-CB 4.38Å; M12-N16 PolarHBondContact SD-ND2 3.43Å; E13-N16 WeakPolarHBondContact O-CB 3.44Å; E13-N16 PolarHBondContact O-N 3.45Å; A14-N16 PolarHBondContact O-N 2.86Å; N16-S19 WeakPolarHBondContact CA-OG 3.15Å; N16-S19 PolarHBondContact O-OG 3.36Å; N16-S19 PolarHBondContact OD1-OG 3.48Å; N16-T20 PolarHBondContact O-N 3.26Å; N16-T20 PolarHBondContact O-OG1 3.34Å
17	L	92.1	Very high	73.6	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.016	41%	0.408	C	S	.	.	H	α-helix	trans	-74.3	-47.7	169.7	179	57.9	0	0	0	110.9	A14 S19 T20 L21 L39 I42 L44 E48 L51 V52	A14-L17 PolarHBondContact O-N 2.89Å; L17-S19 PolarHBondContact O-N 3.06Å; L17-T20 WeakPolarHBondContact O-CA 3.4Å; L17-T20 WeakPolarHBondContact O-CB 3.44Å; L17-T20 PolarHBondContact O-N 3.45Å; L17-T20 VanDerWaalsContact O-N 3.1Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.48Å; L17-L39 HydrophobicContact CD1-CD1 3.93Å; L17-I42 HydrophobicContact CD1-CD1 4.33Å; L17-L44 HydrophobicContact CD1-CD2 3.83Å; L17-L44 HydrophobicContact CD2-CD2 3.91Å; L17-E48 HydrophobicContact CD2-CB 3.89Å; L17-E48 HydrophobicContact CD2-CG 3.93Å; L17-L51 HydrophobicContact CD2-CD2 4.28Å; L17-V52 HydrophobicContact CD1-CG2 4.37Å; L17-V52 HydrophobicContact CD2-CG2 4Å; L17-V52 HydrophobicContact CG-CG2 4.43Å
18	L	92.4	Very high	76.3	Confident	71 Å²	71	73 Å²	73	37%	0.372	40%	0.402	S	S	.	.	H	α-helix	trans	-61.4	-41.2	178.1	-72	172.3	0	0	0	112.3	A14 T20 L21 E22	A14-L18 PolarHBondContact O-N 3.09Å; L18-T20 VanDerWaalsContact C-N 3.26Å; L18-T20 PolarHBondContact O-N 2.9Å; L18-L21 HydrophobicContact CD2-CD1 4.33Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-E22 WeakPolarHBondContact O-CG 3.31Å; L18-E22 PolarHBondContact O-N 3.35Å
19	S	92.4	Very high	79.2	Confident	57 Å²	57	73.4 Å²	73.4	40%	0.399	39%	0.393	S	S	.	.	H	α-helix	trans	-61.6	-35.5	174.6	59.1	0	0	0	0	112.5	T15 N16 L17 L23	T15-S19 PolarHBondContact O-N 3.28Å; T15-S19 PolarHBondContact O-OG 3.18Å; N16-S19 WeakPolarHBondContact CA-OG 3.15Å; N16-S19 PolarHBondContact O-OG 3.36Å; N16-S19 PolarHBondContact OD1-OG 3.48Å; L17-S19 PolarHBondContact O-N 3.06Å; S19-L23 WeakPolarHBondContact O-CG 3.25Å; S19-L23 PolarHBondContact O-N 3.37Å
20	T	94.5	Very high	81.8	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.012	40%	0.396	C	S	.	.	H	α-helix	trans	-66.8	-42.2	174.7	-59.9	0	0	0	0	111.3	N16 L17 L18 L23 Q38 L39 I42	N16-T20 PolarHBondContact O-N 3.26Å; N16-T20 PolarHBondContact O-OG1 3.34Å; L17-T20 WeakPolarHBondContact O-CA 3.4Å; L17-T20 WeakPolarHBondContact O-CB 3.44Å; L17-T20 PolarHBondContact O-N 3.45Å; L17-T20 VanDerWaalsContact O-N 3.1Å; L18-T20 VanDerWaalsContact C-N 3.26Å; L18-T20 PolarHBondContact O-N 2.9Å; T20-L23 WeakPolarHBondContact O-CB 3.49Å; T20-L23 PolarHBondContact O-N 2.93Å; T20-Q38 HydrophobicContact CG2-CB 3.51Å; T20-L39 HydrophobicContact CG2-CB 4.04Å; T20-I42 HydrophobicContact CG2-CD1 4.35Å
21	L	96.6	Very high	84.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-64.4	-43.4	177	-66	174.5	0	0	0	111.9	L17 L18 L23 L24 L39 V52 W55 A75	L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.48Å; L18-L21 HydrophobicContact CD2-CD1 4.33Å; L18-L21 PolarHBondContact O-N 3.24Å; L21-L23 PolarHBondContact O-N 2.93Å; L21-L24 HydrophobicContact CD2-CD1 4.25Å; L21-L24 WeakPolarHBondContact O-CB 3.39Å; L21-L24 PolarHBondContact O-N 2.88Å; L21-L39 HydrophobicContact CD2-CD1 4.23Å; L21-L39 HydrophobicContact CD2-CD2 3.93Å; L21-V52 HydrophobicContact CD1-CG1 4.49Å; L21-V52 HydrophobicContact CD1-CG2 4.1Å; L21-V52 HydrophobicContact CD2-CG1 4.02Å; L21-V52 HydrophobicContact CD2-CG2 4.42Å; L21-W55 HydrophobicContact CB-CD2 4.03Å; L21-W55 HydrophobicContact CB-CE3 4.35Å; L21-W55 HydrophobicContact CB-CH2 4.07Å; L21-W55 HydrophobicContact CB-CZ2 3.71Å; L21-W55 HydrophobicContact CB-CZ3 4.38Å; L21-W55 HydrophobicContact CD1-CB 4.22Å; L21-W55 HydrophobicContact CD1-CD2 3.91Å; L21-W55 HydrophobicContact CD1-CE3 4.29Å; L21-W55 HydrophobicContact CD1-CG 3.88Å; L21-W55 HydrophobicContact CD2-CE3 4.29Å; L21-W55 HydrophobicContact CD2-CZ3 4.36Å; L21-W55 HydrophobicContact CG-CD2 4.42Å; L21-W55 WeakPolarHBondContact O-CH2 3.49Å; L21-W55 WeakPolarHBondContact O-CZ2 3.36Å; L21-A75 HydrophobicContact CD2-CB 4.38Å
22	E	96	Very high	87.1	Confident	89 Å²	89	62.6 Å²	62.6	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-24.7	178.1	-68.9	-57.3	138.6	0	0	113.1	L18 L24 C25 A26 W55 K59	L18-E22 WeakPolarHBondContact O-CG 3.31Å; L18-E22 PolarHBondContact O-N 3.35Å; E22-L24 PolarHBondContact O-N 3.34Å; E22-C25 PolarHBondContact O-N 2.98Å; E22-A26 PolarHBondContact O-N 3.22Å; E22-W55 PolarHBondContact OE1-NE1 2.64Å; E22-K59 WeakPolarHBondContact OE1-CE 3.39Å; E22-K59 IonicContact OE1-NZ 3.99Å; E22-K59 PolarHBondContact OE1-NZ 3Å; E22-K59 IonicContact OE2-NZ 3.49Å; E22-K59 PolarHBondContact OE2-NZ 3.5Å
23	L	96.8	Very high	89.2	Confident	42 Å²	42	62.8 Å²	62.8	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-30.8	171	-73.5	173.8	0	0	0	112.2	S19 T20 L21 C25 A26 D31 R32 R34 Q38	S19-L23 WeakPolarHBondContact O-CG 3.25Å; S19-L23 PolarHBondContact O-N 3.37Å; T20-L23 WeakPolarHBondContact O-CB 3.49Å; T20-L23 PolarHBondContact O-N 2.93Å; L21-L23 PolarHBondContact O-N 2.93Å; L23-C25 PolarHBondContact O-N 3.17Å; L23-A26 WeakPolarHBondContact O-CB 3.49Å; L23-A26 PolarHBondContact O-N 2.86Å; L23-A26 VanDerWaalsContact O-N 3.09Å; L23-D31 HydrophobicContact CD2-CB 4.35Å; L23-R32 VanDerWaalsContact O-CA 3.27Å; L23-R32 WeakPolarHBondContact O-CA 3.28Å; L23-R32 PolarHBondContact O-N 3.17Å; L23-R34 HydrophobicContact CD1-CG 4.5Å; L23-Q38 VanDerWaalsContact CD1-OE1 3.24Å
24	L	96.6	Very high	91.1	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-25.6	177	-56.9	175.5	0	0	0	112.4	L21 E22 R32 G35 E36 L39 G71 T74 A75	L21-L24 HydrophobicContact CD2-CD1 4.25Å; L21-L24 WeakPolarHBondContact O-CB 3.39Å; L21-L24 PolarHBondContact O-N 2.88Å; E22-L24 PolarHBondContact O-N 3.34Å; L24-R32 WeakPolarHBondContact O-CD 3.35Å; L24-R32 WeakPolarHBondContact O-CG 3.04Å; L24-G35 VanDerWaalsContact CD2-C 3.43Å; L24-E36 HydrophobicContact CD2-CB 4.13Å; L24-E36 VanDerWaalsContact CD2-N 3.26Å; L24-L39 HydrophobicContact CD1-CD2 3.95Å; L24-G71 WeakPolarHBondContact O-CA 2.85Å; L24-T74 HydrophobicContact CD2-CG2 4.09Å; L24-A75 HydrophobicContact CD1-CB 3.79Å
25	C	96.6	Very high	92.8	Very high	13 Å²	13	59 Å²	59	9%	0.088	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	7	175.9	-54.8	0	0	0	0	113	E22 L23 W55 E67	E22-C25 PolarHBondContact O-N 2.98Å; L23-C25 PolarHBondContact O-N 3.17Å; C25-W55 VanDerWaalsContact SG-CH2 3.56Å; C25-E67 WeakPolarHBondContact O-CB 3.34Å
26	A	95.6	Very high	94.4	Very high	13 Å²	13	57.3 Å²	57.3	11%	0.107	29%	0.286	C	S	.	.			trans	-67	147.5	-177	0	0	0	0	0	111.8	E22 L23 K28 D31 R32	E22-A26 PolarHBondContact O-N 3.22Å; L23-A26 WeakPolarHBondContact O-CB 3.49Å; L23-A26 PolarHBondContact O-N 2.86Å; L23-A26 VanDerWaalsContact O-N 3.09Å; A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 3.43Å; A26-D31 HydrophobicContact CB-CB 3.6Å; A26-R32 HydrophobicContact CB-CG 4.21Å; A26-R32 VanDerWaalsContact O-CD 3.25Å; A26-R32 WeakPolarHBondContact O-CD 3.28Å; A26-R32 WeakPolarHBondContact O-CG 3.4Å; A26-R32 PolarHBondContact O-NH1 3.02Å
27	P	92.6	Very high	95	Very high	97 Å²	97	58.2 Å²	58.2	63%	0.63	29%	0.291	S	S	*	.	S	Bend	trans	-67.3	-30.9	179.3	24.6	-34	0	0	0	112.8	R32	P27-R32 PolarHBondContact O-NH1 2.76Å
28	K	94	Very high	95.1	Very high	142 Å²	142	61.5 Å²	61.5	62%	0.617	31%	0.306	S	S	*	.	S	Bend	trans	-85	129.8	179.3	-66.6	-179.1	-176.5	172.9	0	111	A26 L30 D31 R32	A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 3.43Å; K28-L30 VanDerWaalsContact C-N 3.28Å; K28-L30 PolarHBondContact O-N 3.42Å; K28-D31 HydrophobicContact CB-CB 4.37Å; K28-D31 WeakPolarHBondContact CB-OD2 3.24Å; K28-D31 PolarHBondContact O-N 3.18Å; K28-D31 VanDerWaalsContact O-N 3.08Å; K28-R32 PolarHBondContact O-N 3.46Å
29	K	92.6	Very high	95.2	Very high	135 Å²	135	58.2 Å²	58.2	59%	0.587	29%	0.289	S	S	*	.	H	α-helix	trans	-53.3	-42.5	176.3	-175.3	-179	173.9	-159.3	0	112.9	D31 R32 E33	K29-D31 VanDerWaalsContact C-N 3.3Å; K29-D31 PolarHBondContact O-N 2.87Å; K29-R32 PolarHBondContact O-N 3.16Å; K29-E33 WeakPolarHBondContact CE-OE1 3.34Å; K29-E33 HydrophobicContact CG-CG 4.44Å; K29-E33 IonicContact NZ-OE1 3Å; K29-E33 PolarHBondContact NZ-OE1 3.37Å; K29-E33 WeakPolarHBondContact O-CG 3.36Å; K29-E33 PolarHBondContact O-N 2.82Å
30	L	95.4	Very high	95.3	Very high	127 Å²	127	57.9 Å²	57.9	67%	0.665	28%	0.282	S	S	*	.	H	α-helix	trans	-62.7	-34.4	179.8	-69.5	173.3	0	0	0	113.3	K28 R34	K28-L30 VanDerWaalsContact C-N 3.28Å; K28-L30 PolarHBondContact O-N 3.42Å; L30-R34 WeakPolarHBondContact O-CB 3.49Å; L30-R34 PolarHBondContact O-N 2.99Å; L30-R34 VanDerWaalsContact O-N 3.08Å
31	D	96.3	Very high	95.2	Very high	41 Å²	41	65.2 Å²	65.2	22%	0.219	31%	0.314	C	S	.	.	H	α-helix	trans	-74.9	-37.4	178.5	-66.6	-36.4	0	0	0	110.3	L23 A26 K28 K29 R34 G35	L23-D31 HydrophobicContact CD2-CB 4.35Å; A26-D31 HydrophobicContact CB-CB 3.6Å; K28-D31 HydrophobicContact CB-CB 4.37Å; K28-D31 WeakPolarHBondContact CB-OD2 3.24Å; K28-D31 PolarHBondContact O-N 3.18Å; K28-D31 VanDerWaalsContact O-N 3.08Å; K29-D31 VanDerWaalsContact C-N 3.3Å; K29-D31 PolarHBondContact O-N 2.87Å; D31-R34 WeakPolarHBondContact O-CB 3.45Å; D31-R34 PolarHBondContact O-N 3.22Å; D31-R34 IonicContact OD1-NH1 2.77Å; D31-G35 PolarHBondContact O-N 3.5Å
32	R	96.3	Very high	94.8	Very high	16 Å²	16	66.9 Å²	66.9	6%	0.06	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-47.3	171.4	-61.9	-166.2	-65.1	-87.4	3.7	112.5	L23 L24 A26 P27 K28 K29 R34 G35 E36	L23-R32 VanDerWaalsContact O-CA 3.27Å; L23-R32 WeakPolarHBondContact O-CA 3.28Å; L23-R32 PolarHBondContact O-N 3.17Å; L24-R32 WeakPolarHBondContact O-CD 3.35Å; L24-R32 WeakPolarHBondContact O-CG 3.04Å; A26-R32 HydrophobicContact CB-CG 4.21Å; A26-R32 VanDerWaalsContact O-CD 3.25Å; A26-R32 WeakPolarHBondContact O-CD 3.28Å; A26-R32 WeakPolarHBondContact O-CG 3.4Å; A26-R32 PolarHBondContact O-NH1 3.02Å; P27-R32 PolarHBondContact O-NH1 2.76Å; K28-R32 PolarHBondContact O-N 3.46Å; K29-R32 PolarHBondContact O-N 3.16Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 2.79Å; R32-G35 PolarHBondContact O-N 2.65Å; R32-G35 VanDerWaalsContact O-N 3.13Å; R32-E36 PolarHBondContact O-N 2.66Å
33	E	95	Very high	94.6	Very high	78 Å²	78	67.2 Å²	67.2	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-38.8	175.3	-73	174.4	161.9	0	0	111.3	K29 E36 D37	K29-E33 WeakPolarHBondContact CE-OE1 3.34Å; K29-E33 HydrophobicContact CG-CG 4.44Å; K29-E33 IonicContact NZ-OE1 3Å; K29-E33 PolarHBondContact NZ-OE1 3.37Å; K29-E33 WeakPolarHBondContact O-CG 3.36Å; K29-E33 PolarHBondContact O-N 2.82Å; E33-E36 WeakPolarHBondContact O-CB 3.45Å; E33-E36 PolarHBondContact O-N 3.49Å; E33-D37 WeakPolarHBondContact O-CB 3.29Å; E33-D37 PolarHBondContact O-N 3.22Å
34	R	95.5	Very high	94.3	Very high	134 Å²	134	67 Å²	67	51%	0.506	33%	0.334	S	S	.	.	H	α-helix	trans	-64.2	-43.9	174.1	-176.2	-175.7	-64.8	156.7	3.9	112.2	L23 L30 D31 R32 E36 D37 Q38	L23-R34 HydrophobicContact CD1-CG 4.5Å; L30-R34 WeakPolarHBondContact O-CB 3.49Å; L30-R34 PolarHBondContact O-N 2.99Å; L30-R34 VanDerWaalsContact O-N 3.08Å; D31-R34 WeakPolarHBondContact O-CB 3.45Å; D31-R34 PolarHBondContact O-N 3.22Å; D31-R34 IonicContact OD1-NH1 2.77Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 2.79Å; R34-E36 VanDerWaalsContact C-N 3.31Å; R34-D37 PolarHBondContact O-N 3.15Å; R34-Q38 WeakPolarHBondContact O-CB 3.46Å; R34-Q38 VanDerWaalsContact O-CG 3.24Å; R34-Q38 WeakPolarHBondContact O-CG 3.41Å; R34-Q38 PolarHBondContact O-N 3.44Å
35	G	95.7	Very high	94.1	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-42.3	174.6	0	0	0	0	0	111.8	L24 D31 R32 Q38 L39	L24-G35 VanDerWaalsContact CD2-C 3.43Å; D31-G35 PolarHBondContact O-N 3.5Å; R32-G35 PolarHBondContact O-N 2.65Å; R32-G35 VanDerWaalsContact O-N 3.13Å; G35-Q38 PolarHBondContact O-N 2.77Å; G35-L39 WeakPolarHBondContact O-CB 3.45Å; G35-L39 PolarHBondContact O-N 2.92Å
36	E	96	Very high	93.9	Very high	67 Å²	67	73.2 Å²	73.2	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-48.5	177.4	-158.7	-169.7	150.2	0	0	110.9	L24 R32 E33 R34 Q38 L39 N40 T74 I78	L24-E36 HydrophobicContact CD2-CB 4.13Å; L24-E36 VanDerWaalsContact CD2-N 3.26Å; R32-E36 PolarHBondContact O-N 2.66Å; E33-E36 WeakPolarHBondContact O-CB 3.45Å; E33-E36 PolarHBondContact O-N 3.49Å; R34-E36 VanDerWaalsContact C-N 3.31Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 3.03Å; E36-L39 PolarHBondContact O-N 3.46Å; E36-N40 WeakPolarHBondContact O-CB 3.36Å; E36-N40 PolarHBondContact O-N 3.29Å; E36-N40 PolarHBondContact O-ND2 3.31Å; E36-T74 HydrophobicContact CG-CG2 3.94Å; E36-I78 HydrophobicContact CG-CD1 3.74Å
37	D	95.2	Very high	93.7	Very high	94 Å²	94	78.2 Å²	78.2	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-36.4	177	-87.6	-11.6	0	0	0	112.9	E33 R34 K41	E33-D37 WeakPolarHBondContact O-CB 3.29Å; E33-D37 PolarHBondContact O-N 3.22Å; R34-D37 PolarHBondContact O-N 3.15Å; D37-K41 VanDerWaalsContact O-CD 3.26Å; D37-K41 WeakPolarHBondContact O-CD 3.39Å; D37-K41 WeakPolarHBondContact O-CE 3.4Å; D37-K41 VanDerWaalsContact O-CG 3.28Å; D37-K41 WeakPolarHBondContact O-CG 3.42Å
38	Q	95.2	Very high	93.8	Very high	72 Å²	72	75.1 Å²	75.1	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-71.4	-50.2	178.1	-77.1	175.3	-3.3	0	0	110.6	T20 L23 R34 G35 E36 N40 K41 I42	T20-Q38 HydrophobicContact CG2-CB 3.51Å; L23-Q38 VanDerWaalsContact CD1-OE1 3.24Å; R34-Q38 WeakPolarHBondContact O-CB 3.46Å; R34-Q38 VanDerWaalsContact O-CG 3.24Å; R34-Q38 WeakPolarHBondContact O-CG 3.41Å; R34-Q38 PolarHBondContact O-N 3.44Å; G35-Q38 PolarHBondContact O-N 2.77Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 3.03Å; Q38-N40 VanDerWaalsContact C-N 3.31Å; Q38-N40 PolarHBondContact O-N 3Å; Q38-K41 PolarHBondContact O-N 2.74Å; Q38-I42 WeakPolarHBondContact O-CG1 3.39Å
39	L	95.1	Very high	93.8	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-37.3	-179.4	-172.1	63.3	0	0	0	112	L17 T20 L21 L24 G35 E36 K41 I42 A75 I78	L17-L39 HydrophobicContact CD1-CD1 3.93Å; T20-L39 HydrophobicContact CG2-CB 4.04Å; L21-L39 HydrophobicContact CD2-CD1 4.23Å; L21-L39 HydrophobicContact CD2-CD2 3.93Å; L24-L39 HydrophobicContact CD1-CD2 3.95Å; G35-L39 WeakPolarHBondContact O-CB 3.45Å; G35-L39 PolarHBondContact O-N 2.92Å; E36-L39 PolarHBondContact O-N 3.46Å; L39-K41 PolarHBondContact O-N 2.99Å; L39-I42 PolarHBondContact O-N 3.15Å; L39-A75 HydrophobicContact CD2-CB 4.25Å; L39-I78 HydrophobicContact CB-CD1 4.16Å; L39-I78 HydrophobicContact CD2-CB 4.18Å; L39-I78 HydrophobicContact CD2-CD1 3.82Å; L39-I78 HydrophobicContact CD2-CG2 4.04Å; L39-I78 HydrophobicContact CG-CD1 4.26Å; L39-I78 HydrophobicContact CG-CG2 3.92Å
40	N	93.9	Very high	94	Very high	49 Å²	49	66.8 Å²	66.8	26%	0.262	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.7	175.1	-84.5	-68	0	0	0	114.2	E36 Q38 N82	E36-N40 WeakPolarHBondContact O-CB 3.36Å; E36-N40 PolarHBondContact O-N 3.29Å; E36-N40 PolarHBondContact O-ND2 3.31Å; Q38-N40 VanDerWaalsContact C-N 3.31Å; Q38-N40 PolarHBondContact O-N 3Å; N40-N82 PolarHBondContact OD1-ND2 2.72Å
41	K	91.9	Very high	93.9	Very high	156 Å²	156	63.9 Å²	63.9	68%	0.678	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-6.7	-179.7	-69.4	167.9	-169.3	161.6	0	113.3	D37 Q38 L39	D37-K41 VanDerWaalsContact O-CD 3.26Å; D37-K41 WeakPolarHBondContact O-CD 3.39Å; D37-K41 WeakPolarHBondContact O-CE 3.4Å; D37-K41 VanDerWaalsContact O-CG 3.28Å; D37-K41 WeakPolarHBondContact O-CG 3.42Å; Q38-K41 PolarHBondContact O-N 2.74Å; L39-K41 PolarHBondContact O-N 2.99Å
42	I	89.1	Confident	93.9	Very high	35 Å²	35	61.9 Å²	61.9	18%	0.179	32%	0.315	C	S	.	.			trans	-94.8	129.7	-176.9	-62.7	167.1	0	0	0	109.1	M12 L17 T20 Q38 L39 L44	M12-I42 HydrophobicContact CE-CD1 4.02Å; L17-I42 HydrophobicContact CD1-CD1 4.33Å; T20-I42 HydrophobicContact CG2-CD1 4.35Å; Q38-I42 WeakPolarHBondContact O-CG1 3.39Å; L39-I42 PolarHBondContact O-N 3.15Å; I42-L44 HydrophobicContact CG2-CD2 3.73Å; I42-L44 HydrophobicContact CG2-CG 4.38Å
43	S	90.3	Very high	94	Very high	96 Å²	96	61.2 Å²	61.2	67%	0.671	31%	0.312	S	S	*	.			trans	-89.7	111.7	166	-63	0	0	0	0	108.9
44	L	91.7	Very high	94	Very high	38 Å²	38	61 Å²	61	20%	0.199	32%	0.319	C	S	.	.			trans	-82.5	134.2	-176.9	-59.3	170.3	0	0	0	111.2	L17 I42 E48 V49 V52 L79 V83	L17-L44 HydrophobicContact CD1-CD2 3.83Å; L17-L44 HydrophobicContact CD2-CD2 3.91Å; I42-L44 HydrophobicContact CG2-CD2 3.73Å; I42-L44 HydrophobicContact CG2-CG 4.38Å; L44-E48 HydrophobicContact CB-CB 4.19Å; L44-E48 HydrophobicContact CD2-CB 4.04Å; L44-V49 HydrophobicContact CB-CG2 3.78Å; L44-V49 HydrophobicContact CD1-CG2 4.42Å; L44-V52 HydrophobicContact CD1-CG2 4.15Å; L44-V52 HydrophobicContact CD2-CG2 4.4Å; L44-L79 HydrophobicContact CD1-CD2 3.41Å; L44-L79 VanDerWaalsContact CD1-CD2 3.41Å; L44-V83 HydrophobicContact CD1-CG2 4.45Å
45	T	92.1	Very high	94.1	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.472	30%	0.297	S	S	.	.			trans	-71.2	164	166.1	62.2	0	0	0	0	111.1	D47 E48 V49	T45-D47 VanDerWaalsContact C-N 3.25Å; T45-D47 PolarHBondContact O-N 3.16Å; T45-E48 WeakPolarHBondContact CB-OE2 3.29Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.47Å; T45-E48 PolarHBondContact N-OE2 2.97Å; T45-E48 PolarHBondContact O-N 3.21Å; T45-E48 VanDerWaalsContact O-N 3.11Å; T45-E48 VanDerWaalsContact OG1-CD 3.25Å; T45-E48 VanDerWaalsContact OG1-CG 3.26Å; T45-E48 WeakPolarHBondContact OG1-CG 3.23Å; T45-E48 PolarHBondContact OG1-N 3.41Å; T45-E48 PolarHBondContact OG1-OE2 3Å; T45-V49 WeakPolarHBondContact O-CG2 3.34Å; T45-V49 PolarHBondContact O-N 2.7Å
46	S	91.4	Very high	94.2	Very high	68 Å²	68	55.1 Å²	55.1	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-35.9	179.5	-176	0	0	0	0	113.2	V49 K50	S46-V49 PolarHBondContact O-N 2.94Å; S46-K50 WeakPolarHBondContact O-CG 3.49Å; S46-K50 PolarHBondContact O-N 3.13Å
47	D	92.4	Very high	94.2	Very high	119 Å²	119	54.5 Å²	54.5	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-73.3	-36	176.7	-69.3	-26.9	0	0	0	112.2	T45 K50 L51	T45-D47 VanDerWaalsContact C-N 3.25Å; T45-D47 PolarHBondContact O-N 3.16Å; D47-K50 PolarHBondContact O-N 3.18Å; D47-K50 IonicContact OD1-NZ 2.77Å; D47-L51 PolarHBondContact O-N 3.35Å
48	E	94	Very high	94.2	Very high	32 Å²	32	55.9 Å²	55.9	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-35.2	172.8	-70.7	165.1	142.7	0	0	111.7	L17 L44 T45 K50 L51 V52	L17-E48 HydrophobicContact CD2-CB 3.89Å; L17-E48 HydrophobicContact CD2-CG 3.93Å; L44-E48 HydrophobicContact CB-CB 4.19Å; L44-E48 HydrophobicContact CD2-CB 4.04Å; T45-E48 WeakPolarHBondContact CB-OE2 3.29Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.47Å; T45-E48 PolarHBondContact N-OE2 2.97Å; T45-E48 PolarHBondContact O-N 3.21Å; T45-E48 VanDerWaalsContact O-N 3.11Å; T45-E48 VanDerWaalsContact OG1-CD 3.25Å; T45-E48 VanDerWaalsContact OG1-CG 3.26Å; T45-E48 WeakPolarHBondContact OG1-CG 3.23Å; T45-E48 PolarHBondContact OG1-N 3.41Å; T45-E48 PolarHBondContact OG1-OE2 3Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.23Å; E48-L51 WeakPolarHBondContact O-CB 3.47Å; E48-L51 PolarHBondContact O-N 3.33Å; E48-V52 VanDerWaalsContact O-CG2 3.24Å; E48-V52 WeakPolarHBondContact O-CG2 3.47Å; E48-V52 PolarHBondContact O-N 3.36Å
49	V	95.1	Very high	94.2	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-42.5	172.6	172.3	0	0	0	0	110.8	L44 T45 S46 S53 V83 L88 V91	L44-V49 HydrophobicContact CB-CG2 3.78Å; L44-V49 HydrophobicContact CD1-CG2 4.42Å; T45-V49 WeakPolarHBondContact O-CG2 3.34Å; T45-V49 PolarHBondContact O-N 2.7Å; S46-V49 PolarHBondContact O-N 2.94Å; V49-S53 VanDerWaalsContact O-CB 3.3Å; V49-S53 WeakPolarHBondContact O-CB 3.38Å; V49-S53 PolarHBondContact O-N 3.48Å; V49-S53 PolarHBondContact O-OG 2.94Å; V49-V83 HydrophobicContact CG1-CG1 4.23Å; V49-V83 HydrophobicContact CG2-CG1 3.88Å; V49-V83 HydrophobicContact CG2-CG2 3.96Å; V49-L88 HydrophobicContact CG1-CD2 3.7Å; V49-V91 HydrophobicContact CG1-CG2 4.31Å
50	K	95.5	Very high	94.2	Very high	98 Å²	98	53.7 Å²	53.7	43%	0.426	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174	-69.4	170.6	-171.6	163.7	0	111.7	S46 D47 E48 S53 S54 V91	S46-K50 WeakPolarHBondContact O-CG 3.49Å; S46-K50 PolarHBondContact O-N 3.13Å; D47-K50 PolarHBondContact O-N 3.18Å; D47-K50 IonicContact OD1-NZ 2.77Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.23Å; K50-S53 PolarHBondContact O-N 3.42Å; K50-S54 PolarHBondContact O-N 3.12Å; K50-S54 PolarHBondContact O-OG 3.35Å; K50-V91 HydrophobicContact CG-CG1 4.21Å; K50-V91 HydrophobicContact CG-CG2 3.85Å
51	L	95	Very high	94.2	Very high	66 Å²	66	58.5 Å²	58.5	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-49.7	177.3	-179.1	69.6	0	0	0	111.5	L17 D47 E48 S53 S54 W55	L17-L51 HydrophobicContact CD2-CD2 4.28Å; D47-L51 PolarHBondContact O-N 3.35Å; E48-L51 WeakPolarHBondContact O-CB 3.47Å; E48-L51 PolarHBondContact O-N 3.33Å; L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 3.12Å; L51-S54 PolarHBondContact O-N 3.22Å; L51-W55 PolarHBondContact O-N 2.86Å
52	V	96.4	Very high	94.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-39	178.3	-178.9	0	0	0	0	110.4	L17 L21 L44 E48 W55 I56 L79	L17-V52 HydrophobicContact CD1-CG2 4.37Å; L17-V52 HydrophobicContact CD2-CG2 4Å; L17-V52 HydrophobicContact CG-CG2 4.43Å; L21-V52 HydrophobicContact CD1-CG1 4.49Å; L21-V52 HydrophobicContact CD1-CG2 4.1Å; L21-V52 HydrophobicContact CD2-CG1 4.02Å; L21-V52 HydrophobicContact CD2-CG2 4.42Å; L44-V52 HydrophobicContact CD1-CG2 4.15Å; L44-V52 HydrophobicContact CD2-CG2 4.4Å; E48-V52 VanDerWaalsContact O-CG2 3.24Å; E48-V52 WeakPolarHBondContact O-CG2 3.47Å; E48-V52 PolarHBondContact O-N 3.36Å; V52-W55 PolarHBondContact O-N 3.34Å; V52-I56 HydrophobicContact CG1-CD1 3.9Å; V52-I56 HydrophobicContact CG1-CG1 4.33Å; V52-I56 VanDerWaalsContact O-CG1 3.25Å; V52-I56 WeakPolarHBondContact O-CG1 3.46Å; V52-I56 PolarHBondContact O-N 3Å; V52-L79 HydrophobicContact CB-CD1 4.3Å; V52-L79 HydrophobicContact CB-CD2 4.38Å; V52-L79 HydrophobicContact CG1-CD1 3.84Å; V52-L79 HydrophobicContact CG1-CD2 3.99Å; V52-L79 HydrophobicContact CG1-CG 4.06Å
53	S	96.7	Very high	94.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-46.1	176.7	-61	0	0	0	0	111.9	V49 K50 L51 W55 I56 E57	V49-S53 VanDerWaalsContact O-CB 3.3Å; V49-S53 WeakPolarHBondContact O-CB 3.38Å; V49-S53 PolarHBondContact O-N 3.48Å; V49-S53 PolarHBondContact O-OG 2.94Å; K50-S53 PolarHBondContact O-N 3.42Å; L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 3.12Å; S53-W55 VanDerWaalsContact C-N 3.34Å; S53-W55 PolarHBondContact O-N 3.44Å; S53-I56 PolarHBondContact O-N 3.5Å; S53-E57 WeakPolarHBondContact O-CG 3.5Å; S53-E57 PolarHBondContact O-N 3.31Å
54	S	96.2	Very high	93.9	Very high	73 Å²	73	55 Å²	55	51%	0.51	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-39.8	174.6	-61.2	0	0	0	0	112.4	K50 L51 E57 E58	K50-S54 PolarHBondContact O-N 3.12Å; K50-S54 PolarHBondContact O-OG 3.35Å; L51-S54 PolarHBondContact O-N 3.22Å; S54-E57 PolarHBondContact O-N 3.4Å; S54-E58 PolarHBondContact O-N 3.23Å
55	W	96.9	Very high	94	Very high	12 Å²	12	56 Å²	56	5%	0.045	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-41.2	175.7	-178.5	92.6	0	0	0	111.6	L21 E22 C25 L51 V52 S53 E57 E58 K59 A75	L21-W55 HydrophobicContact CB-CD2 4.03Å; L21-W55 HydrophobicContact CB-CE3 4.35Å; L21-W55 HydrophobicContact CB-CH2 4.07Å; L21-W55 HydrophobicContact CB-CZ2 3.71Å; L21-W55 HydrophobicContact CB-CZ3 4.38Å; L21-W55 HydrophobicContact CD1-CB 4.22Å; L21-W55 HydrophobicContact CD1-CD2 3.91Å; L21-W55 HydrophobicContact CD1-CE3 4.29Å; L21-W55 HydrophobicContact CD1-CG 3.88Å; L21-W55 HydrophobicContact CD2-CE3 4.29Å; L21-W55 HydrophobicContact CD2-CZ3 4.36Å; L21-W55 HydrophobicContact CG-CD2 4.42Å; L21-W55 WeakPolarHBondContact O-CH2 3.49Å; L21-W55 WeakPolarHBondContact O-CZ2 3.36Å; E22-W55 PolarHBondContact OE1-NE1 2.64Å; C25-W55 VanDerWaalsContact SG-CH2 3.56Å; L51-W55 PolarHBondContact O-N 2.86Å; V52-W55 PolarHBondContact O-N 3.34Å; S53-W55 VanDerWaalsContact C-N 3.34Å; S53-W55 PolarHBondContact O-N 3.44Å; W55-E57 VanDerWaalsContact C-N 3.33Å; W55-E57 PolarHBondContact O-N 2.95Å; W55-E58 PolarHBondContact O-N 3.39Å; W55-K59 HydrophobicContact CD2-CG 3.82Å; W55-K59 HydrophobicContact CE3-CG 3.97Å; W55-K59 HydrophobicContact CH2-CG 3.83Å; W55-K59 HydrophobicContact CZ2-CD 4.09Å; W55-K59 VanDerWaalsContact CZ2-CE 3.41Å; W55-K59 HydrophobicContact CZ2-CG 3.67Å; W55-K59 HydrophobicContact CZ3-CG 3.97Å; W55-K59 VanDerWaalsContact NE1-CE 3.35Å; W55-K59 VanDerWaalsContact O-CG 3.3Å; W55-K59 WeakPolarHBondContact O-CG 3.29Å; W55-K59 PolarHBondContact O-N 3.33Å; W55-A75 HydrophobicContact CE3-CB 4.41Å; W55-A75 HydrophobicContact CZ3-CB 3.86Å
56	I	97.4	Very high	94.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-46.1	174.7	-71	162.6	0	0	0	110.3	V52 S53 E58 K59 L60 A75 A76 L79 I93 L97	V52-I56 HydrophobicContact CG1-CD1 3.9Å; V52-I56 HydrophobicContact CG1-CG1 4.33Å; V52-I56 VanDerWaalsContact O-CG1 3.25Å; V52-I56 WeakPolarHBondContact O-CG1 3.46Å; V52-I56 PolarHBondContact O-N 3Å; S53-I56 PolarHBondContact O-N 3.5Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 3.31Å; I56-K59 PolarHBondContact O-N 2.87Å; I56-L60 HydrophobicContact CG2-CD1 3.65Å; I56-L60 HydrophobicContact CG2-CG 4.24Å; I56-L60 WeakPolarHBondContact O-CB 3.38Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 3.08Å; I56-A75 HydrophobicContact CD1-CB 4.01Å; I56-A75 HydrophobicContact CG1-CB 3.85Å; I56-A76 HydrophobicContact CD1-CB 4.11Å; I56-A76 HydrophobicContact CG2-CB 4.25Å; I56-L79 HydrophobicContact CD1-CD1 3.49Å; I56-L79 VanDerWaalsContact CD1-CD1 3.49Å; I56-L79 HydrophobicContact CD1-CG 4.17Å; I56-I93 HydrophobicContact CG2-CD1 4.36Å; I56-L97 HydrophobicContact CG2-CD2 3.95Å
57	E	95.9	Very high	94.3	Very high	53 Å²	53	53.7 Å²	53.7	25%	0.248	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-43.7	178.7	-69.6	178.1	-158.4	0	0	112.5	S53 S54 W55 L60 E61 I93 K96	S53-E57 WeakPolarHBondContact O-CG 3.5Å; S53-E57 PolarHBondContact O-N 3.31Å; S54-E57 PolarHBondContact O-N 3.4Å; W55-E57 VanDerWaalsContact C-N 3.33Å; W55-E57 PolarHBondContact O-N 2.95Å; E57-L60 PolarHBondContact O-N 3.13Å; E57-E61 PolarHBondContact O-N 3.28Å; E57-E61 VanDerWaalsContact O-N 3.14Å; E57-I93 HydrophobicContact CG-CD1 3.61Å; E57-K96 VanDerWaalsContact CD-CD 3.43Å; E57-K96 HydrophobicContact CG-CD 3.98Å; E57-K96 WeakPolarHBondContact OE1-CD 3.25Å; E57-K96 WeakPolarHBondContact OE1-CE 3.27Å; E57-K96 IonicContact OE1-NZ 2.63Å; E57-K96 PolarHBondContact OE1-NZ 3.38Å; E57-K96 IonicContact OE2-NZ 3.5Å; E57-K96 PolarHBondContact OE2-NZ 3Å
58	E	95.8	Very high	94.5	Very high	123 Å²	123	50 Å²	50	58%	0.575	27%	0.274	S	S	*	.	H	α-helix	trans	-59.7	-47.3	175.5	-176.6	-173.6	159.9	0	0	111.3	S54 W55 I56 L60 E61	S54-E58 PolarHBondContact O-N 3.23Å; W55-E58 PolarHBondContact O-N 3.39Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 3.31Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 2.98Å; E58-E61 VanDerWaalsContact O-CB 3.28Å; E58-E61 WeakPolarHBondContact O-CB 3.44Å; E58-E61 PolarHBondContact O-N 2.74Å; E58-E61 VanDerWaalsContact O-N 3.14Å
59	K	96	Very high	94.7	Very high	26 Å²	26	48.6 Å²	48.6	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-24.6	-178.5	-65	-56.6	-173.6	169.1	0	113.8	E22 W55 I56 D68	E22-K59 WeakPolarHBondContact OE1-CE 3.39Å; E22-K59 IonicContact OE1-NZ 3.99Å; E22-K59 PolarHBondContact OE1-NZ 3Å; E22-K59 IonicContact OE2-NZ 3.49Å; E22-K59 PolarHBondContact OE2-NZ 3.5Å; W55-K59 HydrophobicContact CD2-CG 3.82Å; W55-K59 HydrophobicContact CE3-CG 3.97Å; W55-K59 HydrophobicContact CH2-CG 3.83Å; W55-K59 HydrophobicContact CZ2-CD 4.09Å; W55-K59 VanDerWaalsContact CZ2-CE 3.41Å; W55-K59 HydrophobicContact CZ2-CG 3.67Å; W55-K59 HydrophobicContact CZ3-CG 3.97Å; W55-K59 VanDerWaalsContact NE1-CE 3.35Å; W55-K59 VanDerWaalsContact O-CG 3.3Å; W55-K59 WeakPolarHBondContact O-CG 3.29Å; W55-K59 PolarHBondContact O-N 3.33Å; I56-K59 PolarHBondContact O-N 2.87Å; K59-D68 HydrophobicContact CB-CB 4.38Å; K59-D68 HydrophobicContact CD-CB 3.91Å; K59-D68 WeakPolarHBondContact CD-OD1 3.47Å; K59-D68 IonicContact NZ-OD1 3.71Å; K59-D68 PolarHBondContact NZ-OD1 3.5Å
60	L	95.5	Very high	94.7	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0	175.3	-61.5	-179.7	0	0	0	112.8	I56 E57 E58 G62 L63 V69 I73 L97 Q100	I56-L60 HydrophobicContact CG2-CD1 3.65Å; I56-L60 HydrophobicContact CG2-CG 4.24Å; I56-L60 WeakPolarHBondContact O-CB 3.38Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 3.08Å; E57-L60 PolarHBondContact O-N 3.13Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 2.98Å; L60-G62 PolarHBondContact O-N 3.13Å; L60-L63 WeakPolarHBondContact O-CD2 3.29Å; L60-V69 HydrophobicContact CD2-CB 4.45Å; L60-V69 HydrophobicContact CD2-CG1 3.89Å; L60-I73 HydrophobicContact CD2-CG1 3.89Å; L60-L97 HydrophobicContact CD1-CD2 3.98Å; L60-Q100 VanDerWaalsContact CB-NE2 3.31Å; L60-Q100 HydrophobicContact CD1-CB 4.47Å; L60-Q100 VanDerWaalsContact CD1-OE1 3.22Å
61	E	92.6	Very high	94.8	Very high	150 Å²	150	45.6 Å²	45.6	70%	0.701	25%	0.254	S	S	*	.	S	Bend	trans	-69.4	126.4	177.3	-166.7	174.5	-175.6	0	0	111.1	E57 E58 L63	E57-E61 PolarHBondContact O-N 3.28Å; E57-E61 VanDerWaalsContact O-N 3.14Å; E58-E61 VanDerWaalsContact O-CB 3.28Å; E58-E61 WeakPolarHBondContact O-CB 3.44Å; E58-E61 PolarHBondContact O-N 2.74Å; E58-E61 VanDerWaalsContact O-N 3.14Å; E61-L63 PolarHBondContact O-N 3.19Å
62	G	90	Very high	95	Very high	69 Å²	69	42.5 Å²	42.5	71%	0.711	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	-9.4	175.8	0	0	0	0	0	116.4	L60 S64	L60-G62 PolarHBondContact O-N 3.13Å; G62-S64 PolarHBondContact O-N 3.17Å
63	L	90.8	Very high	95	Very high	34 Å²	34	42.5 Å²	42.5	18%	0.178	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	28	174.6	-55.6	177	0	0	0	115.2	L60 E61 V69 Q103 N107	L60-L63 WeakPolarHBondContact O-CD2 3.29Å; E61-L63 PolarHBondContact O-N 3.19Å; L63-V69 HydrophobicContact CB-CG2 4.34Å; L63-V69 HydrophobicContact CD2-CG1 4.01Å; L63-V69 HydrophobicContact CD2-CG2 4.03Å; L63-Q103 HydrophobicContact CD1-CB 3.62Å; L63-N107 PolarHBondContact O-ND2 3.18Å
64	S	85.6	Confident	95.1	Very high	110 Å²	110	43.1 Å²	43.1	77%	0.769	24%	0.242	S	C	*	.			trans	-89	-48.7	-167.5	60.6	0	0	0	0	113.9	G62	G62-S64 PolarHBondContact O-N 3.17Å
65	N	92.7	Very high	95.1	Very high	59 Å²	59	39.6 Å²	39.6	32%	0.316	22%	0.217	S	C	.	.			trans	-88.4	112.5	177	-177.5	8.8	0	0	0	110.3	E67 D68 V69	N65-E67 PolarHBondContact O-N 3.33Å; N65-E67 PolarHBondContact OD1-N 3.3Å; N65-E67 PolarHBondContact OD1-OE2 2.85Å; N65-D68 HydrophobicContact CB-CB 4.11Å; N65-D68 WeakPolarHBondContact CB-OD2 3.49Å; N65-D68 PolarHBondContact ND2-OD2 3.28Å; N65-D68 PolarHBondContact O-N 3.14Å; N65-V69 VanDerWaalsContact O-CG2 3.31Å; N65-V69 WeakPolarHBondContact O-CG2 3.21Å; N65-V69 PolarHBondContact O-N 3.02Å
66	W	94.1	Very high	95.2	Very high	54 Å²	54	39 Å²	39	21%	0.205	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-31.7	-176	78	-87.4	0	0	0	112.6	F70 E109 V112	W66-F70 HydrophobicContact CE3-CB 4.36Å; W66-F70 WeakPolarHBondContact O-CB 3.45Å; W66-F70 PolarHBondContact O-N 3.46Å; W66-E109 HydrophobicContact CB-CB 3.66Å; W66-E109 HydrophobicContact CB-CG 3.9Å; W66-E109 HydrophobicContact CD2-CB 4.46Å; W66-E109 HydrophobicContact CD2-CG 3.77Å; W66-E109 HydrophobicContact CE3-CG 3.71Å; W66-E109 HydrophobicContact CG-CB 4.03Å; W66-E109 HydrophobicContact CG-CG 3.87Å; W66-V112 HydrophobicContact CB-CG2 3.9Å; W66-V112 WeakPolarHBondContact O-CG2 3.27Å
67	E	96.3	Very high	95.2	Very high	43 Å²	43	39.7 Å²	39.7	20%	0.201	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-44.5	176.8	-79.5	111.9	161.9	0	0	111.8	C25 N65 G71	C25-E67 WeakPolarHBondContact O-CB 3.34Å; N65-E67 PolarHBondContact O-N 3.33Å; N65-E67 PolarHBondContact OD1-N 3.3Å; N65-E67 PolarHBondContact OD1-OE2 2.85Å; E67-G71 PolarHBondContact O-N 3.41Å
68	D	96.8	Very high	95.2	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-47	176.9	-74.9	-42	0	0	0	110.8	K59 N65 F70 G71 G72	K59-D68 HydrophobicContact CB-CB 4.38Å; K59-D68 HydrophobicContact CD-CB 3.91Å; K59-D68 WeakPolarHBondContact CD-OD1 3.47Å; K59-D68 IonicContact NZ-OD1 3.71Å; K59-D68 PolarHBondContact NZ-OD1 3.5Å; N65-D68 HydrophobicContact CB-CB 4.11Å; N65-D68 WeakPolarHBondContact CB-OD2 3.49Å; N65-D68 PolarHBondContact ND2-OD2 3.28Å; N65-D68 PolarHBondContact O-N 3.14Å; D68-F70 PolarHBondContact O-N 3.09Å; D68-G71 PolarHBondContact O-N 2.98Å; D68-G72 PolarHBondContact O-N 2.89Å
69	V	96.8	Very high	95.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-45.3	179	179.1	0	0	0	0	110.9	L60 L63 N65 G71 G72 I73 V112	L60-V69 HydrophobicContact CD2-CB 4.45Å; L60-V69 HydrophobicContact CD2-CG1 3.89Å; L63-V69 HydrophobicContact CB-CG2 4.34Å; L63-V69 HydrophobicContact CD2-CG1 4.01Å; L63-V69 HydrophobicContact CD2-CG2 4.03Å; N65-V69 VanDerWaalsContact O-CG2 3.31Å; N65-V69 WeakPolarHBondContact O-CG2 3.21Å; N65-V69 PolarHBondContact O-N 3.02Å; V69-G71 VanDerWaalsContact C-N 3.34Å; V69-G71 PolarHBondContact O-N 3.3Å; V69-G72 PolarHBondContact O-N 3.05Å; V69-I73 HydrophobicContact CG1-CD1 3.9Å; V69-I73 HydrophobicContact CG1-CG1 4.44Å; V69-I73 VanDerWaalsContact O-CG1 3.29Å; V69-I73 WeakPolarHBondContact O-CG1 3.44Å; V69-I73 PolarHBondContact O-N 3.35Å; V69-V112 HydrophobicContact CB-CG1 4.39Å; V69-V112 HydrophobicContact CB-CG2 4.34Å; V69-V112 HydrophobicContact CG1-CG1 3.52Å; V69-V112 HydrophobicContact CG1-CG2 4.32Å
70	F	96.7	Very high	95.3	Very high	39 Å²	39	30.4 Å²	30.4	17%	0.171	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-44	176.7	-178.9	-89.6	0	0	0	111.6	W66 D68 T74 R111 V112 A115	W66-F70 HydrophobicContact CE3-CB 4.36Å; W66-F70 WeakPolarHBondContact O-CB 3.45Å; W66-F70 PolarHBondContact O-N 3.46Å; D68-F70 PolarHBondContact O-N 3.09Å; F70-T74 WeakPolarHBondContact O-CB 3.33Å; F70-T74 PolarHBondContact O-N 2.87Å; F70-T74 PolarHBondContact O-OG1 3.41Å; F70-R111 HydrophobicContact CD2-CB 4.06Å; F70-R111 HydrophobicContact CE2-CB 4.2Å; F70-V112 HydrophobicContact CB-CG2 4.26Å; F70-A115 HydrophobicContact CD2-CB 3.99Å; F70-A115 HydrophobicContact CE2-CB 4.06Å
71	G	97.3	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-44.3	177.2	0	0	0	0	0	112.8	L24 E67 D68 V69 T74 A75	L24-G71 WeakPolarHBondContact O-CA 2.85Å; E67-G71 PolarHBondContact O-N 3.41Å; D68-G71 PolarHBondContact O-N 2.98Å; V69-G71 VanDerWaalsContact C-N 3.34Å; V69-G71 PolarHBondContact O-N 3.3Å; G71-T74 PolarHBondContact O-N 3.26Å; G71-A75 WeakPolarHBondContact O-CB 3.46Å; G71-A75 PolarHBondContact O-N 3.47Å
72	G	97.7	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-47.2	174.9	0	0	0	0	0	112.7	D68 V69 T74 A75 A76	D68-G72 PolarHBondContact O-N 2.89Å; V69-G72 PolarHBondContact O-N 3.05Å; G72-T74 PolarHBondContact O-N 3.14Å; G72-A75 PolarHBondContact O-N 3.15Å; G72-A76 WeakPolarHBondContact O-CB 3.35Å; G72-A76 PolarHBondContact O-N 3.48Å
73	I	97.9	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-42.9	176.1	-66.3	170.3	0	0	0	111.2	L60 V69 A75 A76 I77 C104 V112 A115 A116 L119	L60-I73 HydrophobicContact CD2-CG1 3.89Å; V69-I73 HydrophobicContact CG1-CD1 3.9Å; V69-I73 HydrophobicContact CG1-CG1 4.44Å; V69-I73 VanDerWaalsContact O-CG1 3.29Å; V69-I73 WeakPolarHBondContact O-CG1 3.44Å; V69-I73 PolarHBondContact O-N 3.35Å; I73-A75 PolarHBondContact O-N 2.92Å; I73-A76 WeakPolarHBondContact O-CB 3.4Å; I73-A76 PolarHBondContact O-N 3.23Å; I73-I77 HydrophobicContact CG2-CD1 3.84Å; I73-I77 HydrophobicContact CG2-CG1 4.4Å; I73-I77 WeakPolarHBondContact O-CG1 3.29Å; I73-I77 PolarHBondContact O-N 3.35Å; I73-C104 HydrophobicContact CD1-CB 4.02Å; I73-V112 HydrophobicContact CD1-CG1 4.12Å; I73-A115 HydrophobicContact CB-CB 4.22Å; I73-A115 HydrophobicContact CD1-CB 4.25Å; I73-A115 HydrophobicContact CG2-CB 3.7Å; I73-A115 WeakPolarHBondContact CG2-O 3.38Å; I73-A116 HydrophobicContact CD1-CB 4.42Å; I73-L119 HydrophobicContact CG1-CD2 4.41Å; I73-L119 HydrophobicContact CG2-CB 3.88Å; I73-L119 HydrophobicContact CG2-CD2 4.18Å
74	T	97.6	Very high	95.8	Very high	14 Å²	14	34.3 Å²	34.3	9%	0.086	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-45.4	179.4	-57.8	0	0	0	0	110.8	L24 E36 F70 G71 G72 A76 I77 I78	L24-T74 HydrophobicContact CD2-CG2 4.09Å; E36-T74 HydrophobicContact CG-CG2 3.94Å; F70-T74 WeakPolarHBondContact O-CB 3.33Å; F70-T74 PolarHBondContact O-N 2.87Å; F70-T74 PolarHBondContact O-OG1 3.41Å; G71-T74 PolarHBondContact O-N 3.26Å; G72-T74 PolarHBondContact O-N 3.14Å; T74-A76 VanDerWaalsContact C-N 3.35Å; T74-A76 PolarHBondContact O-N 2.95Å; T74-I77 PolarHBondContact O-N 3.26Å; T74-I78 HydrophobicContact CG2-CD1 4.22Å; T74-I78 WeakPolarHBondContact O-CG1 3.37Å; T74-I78 PolarHBondContact O-N 2.68Å; T74-I78 VanDerWaalsContact O-N 3.09Å
75	A	97.8	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-43.4	174	0	0	0	0	0	111.8	L21 L24 L39 W55 I56 G71 G72 I73 I77 I78 L79	L21-A75 HydrophobicContact CD2-CB 4.38Å; L24-A75 HydrophobicContact CD1-CB 3.79Å; L39-A75 HydrophobicContact CD2-CB 4.25Å; W55-A75 HydrophobicContact CE3-CB 4.41Å; W55-A75 HydrophobicContact CZ3-CB 3.86Å; I56-A75 HydrophobicContact CD1-CB 4.01Å; I56-A75 HydrophobicContact CG1-CB 3.85Å; G71-A75 WeakPolarHBondContact O-CB 3.46Å; G71-A75 PolarHBondContact O-N 3.47Å; G72-A75 PolarHBondContact O-N 3.15Å; I73-A75 PolarHBondContact O-N 2.92Å; A75-I77 PolarHBondContact O-N 3.38Å; A75-I78 PolarHBondContact O-N 3.11Å; A75-L79 WeakPolarHBondContact O-CG 3.33Å; A75-L79 PolarHBondContact O-N 2.68Å
76	A	97.8	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-43.3	177.5	0	0	0	0	0	112.8	I56 G72 I73 T74 I78 L79 L80 L97 L119	I56-A76 HydrophobicContact CD1-CB 4.11Å; I56-A76 HydrophobicContact CG2-CB 4.25Å; G72-A76 WeakPolarHBondContact O-CB 3.35Å; G72-A76 PolarHBondContact O-N 3.48Å; I73-A76 WeakPolarHBondContact O-CB 3.4Å; I73-A76 PolarHBondContact O-N 3.23Å; T74-A76 VanDerWaalsContact C-N 3.35Å; T74-A76 PolarHBondContact O-N 2.95Å; A76-I78 VanDerWaalsContact C-N 3.33Å; A76-I78 PolarHBondContact O-N 2.96Å; A76-L79 PolarHBondContact O-N 3.34Å; A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 2.95Å; A76-L97 HydrophobicContact CB-CD1 3.86Å; A76-L97 HydrophobicContact CB-CD2 3.64Å; A76-L97 HydrophobicContact CB-CG 4.42Å; A76-L119 HydrophobicContact CB-CD1 4.03Å
77	I	97.5	Very high	96.4	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.067	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-40.2	176	-68.9	165	0	0	0	111	I73 T74 A75 R81 Q118 L119	I73-I77 HydrophobicContact CG2-CD1 3.84Å; I73-I77 HydrophobicContact CG2-CG1 4.4Å; I73-I77 WeakPolarHBondContact O-CG1 3.29Å; I73-I77 PolarHBondContact O-N 3.35Å; T74-I77 PolarHBondContact O-N 3.26Å; A75-I77 PolarHBondContact O-N 3.38Å; I77-R81 WeakPolarHBondContact O-CB 3.47Å; I77-R81 PolarHBondContact O-N 3.08Å; I77-R81 VanDerWaalsContact O-N 3.09Å; I77-Q118 HydrophobicContact CD1-CB 3.69Å; I77-L119 HydrophobicContact CD1-CB 4.28Å; I77-L119 HydrophobicContact CG1-CB 4.14Å; I77-L119 HydrophobicContact CG1-CD1 4.12Å
78	I	96.9	Very high	96.4	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-41.9	176.9	-66.9	166.5	0	0	0	110.8	E36 L39 T74 A75 A76 R81 N82	E36-I78 HydrophobicContact CG-CD1 3.74Å; L39-I78 HydrophobicContact CB-CD1 4.16Å; L39-I78 HydrophobicContact CD2-CB 4.18Å; L39-I78 HydrophobicContact CD2-CD1 3.82Å; L39-I78 HydrophobicContact CD2-CG2 4.04Å; L39-I78 HydrophobicContact CG-CD1 4.26Å; L39-I78 HydrophobicContact CG-CG2 3.92Å; T74-I78 HydrophobicContact CG2-CD1 4.22Å; T74-I78 WeakPolarHBondContact O-CG1 3.37Å; T74-I78 PolarHBondContact O-N 2.68Å; T74-I78 VanDerWaalsContact O-N 3.09Å; A75-I78 PolarHBondContact O-N 3.11Å; A76-I78 VanDerWaalsContact C-N 3.33Å; A76-I78 PolarHBondContact O-N 2.96Å; I78-R81 PolarHBondContact O-N 2.75Å; I78-N82 WeakPolarHBondContact CG2-ND2 3.29Å; I78-N82 WeakPolarHBondContact O-CB 3.43Å; I78-N82 PolarHBondContact O-N 3.34Å
79	L	97.1	Very high	96.3	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-51.5	174.6	-71.7	-168.3	0	0	0	111.3	L44 V52 I56 A75 A76 R81 N82 V83 L88	L44-L79 HydrophobicContact CD1-CD2 3.41Å; L44-L79 VanDerWaalsContact CD1-CD2 3.41Å; V52-L79 HydrophobicContact CB-CD1 4.3Å; V52-L79 HydrophobicContact CB-CD2 4.38Å; V52-L79 HydrophobicContact CG1-CD1 3.84Å; V52-L79 HydrophobicContact CG1-CD2 3.99Å; V52-L79 HydrophobicContact CG1-CG 4.06Å; I56-L79 HydrophobicContact CD1-CD1 3.49Å; I56-L79 VanDerWaalsContact CD1-CD1 3.49Å; I56-L79 HydrophobicContact CD1-CG 4.17Å; A75-L79 WeakPolarHBondContact O-CG 3.33Å; A75-L79 PolarHBondContact O-N 2.68Å; A76-L79 PolarHBondContact O-N 3.34Å; L79-R81 PolarHBondContact O-N 3.32Å; L79-R81 VanDerWaalsContact O-N 3.17Å; L79-N82 PolarHBondContact O-N 2.76Å; L79-V83 HydrophobicContact CD2-CG2 3.95Å; L79-V83 WeakPolarHBondContact O-CB 3.28Å; L79-V83 PolarHBondContact O-N 2.61Å; L79-L88 HydrophobicContact CB-CD1 4.3Å; L79-L88 HydrophobicContact CB-CD2 4.19Å; L79-L88 HydrophobicContact CD1-CD2 4.25Å
80	L	96.5	Very high	96.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-34.4	178.3	-72.5	167.2	0	0	0	112	A76 Y85 L88 L119 L123 H126	A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 2.95Å; L80-Y85 HydrophobicContact CD2-CD2 3.98Å; L80-Y85 HydrophobicContact CD2-CE2 3.92Å; L80-L88 HydrophobicContact CD2-CD1 4.03Å; L80-L88 HydrophobicContact CG-CD1 4.49Å; L80-L119 HydrophobicContact CD1-CD1 3.71Å; L80-L123 HydrophobicContact CD1-CD2 3.73Å; L80-L123 HydrophobicContact CD1-CG 3.92Å; L80-L123 HydrophobicContact CD2-CD2 3.94Å; L80-H126 PolarHBondContact O-CE1 3.42Å; L80-H126 PolarHBondContact O-NE2 3.08Å
81	R	95.3	Very high	96.1	Very high	126 Å²	126	38.4 Å²	38.4	48%	0.475	20%	0.197	S	C	.	.	H	α-helix	trans	-76.4	-40.8	179.6	-170.8	-175.6	-59.3	169.2	2.5	113.6	I77 I78 L79	I77-R81 WeakPolarHBondContact O-CB 3.47Å; I77-R81 PolarHBondContact O-N 3.08Å; I77-R81 VanDerWaalsContact O-N 3.09Å; I78-R81 PolarHBondContact O-N 2.75Å; L79-R81 PolarHBondContact O-N 3.32Å; L79-R81 VanDerWaalsContact O-N 3.17Å
82	N	94.7	Very high	96	Very high	78 Å²	78	39.6 Å²	39.6	42%	0.417	21%	0.209	S	C	.	.	H	α-helix	trans	-109	-15.4	-164.1	-64.5	-11	0	0	0	114	N40 I78 L79	N40-N82 PolarHBondContact OD1-ND2 2.72Å; I78-N82 WeakPolarHBondContact CG2-ND2 3.29Å; I78-N82 WeakPolarHBondContact O-CB 3.43Å; I78-N82 PolarHBondContact O-N 3.34Å; L79-N82 PolarHBondContact O-N 2.76Å
83	V	95.1	Very high	95.9	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.145	21%	0.209	C	C	.	.	S	Bend	trans	-109.1	145.6	179.5	-176.5	0	0	0	0	109.3	L44 V49 L79 Y85 L88	L44-V83 HydrophobicContact CD1-CG2 4.45Å; V49-V83 HydrophobicContact CG1-CG1 4.23Å; V49-V83 HydrophobicContact CG2-CG1 3.88Å; V49-V83 HydrophobicContact CG2-CG2 3.96Å; L79-V83 HydrophobicContact CD2-CG2 3.95Å; L79-V83 WeakPolarHBondContact O-CB 3.28Å; L79-V83 PolarHBondContact O-N 2.61Å; V83-Y85 PolarHBondContact O-N 3.19Å; V83-L88 HydrophobicContact CB-CD1 4.27Å; V83-L88 HydrophobicContact CB-CD2 4.07Å; V83-L88 HydrophobicContact CB-CG 4.19Å; V83-L88 HydrophobicContact CG1-CD2 3.84Å; V83-L88 HydrophobicContact CG1-CG 3.99Å
84	D	94.1	Very high	95.8	Very high	109 Å²	109	40 Å²	40	58%	0.583	21%	0.211	S	C	*	.			trans	-56.3	131.1	174.3	-178.7	75.5	0	0	0	111.1	E86 S87 L88	D84-E86 PolarHBondContact O-N 3.11Å; D84-E86 WeakPolarHBondContact OD2-CB 3.34Å; D84-E86 PolarHBondContact OD2-N 3.1Å; D84-S87 VanDerWaalsContact O-CB 3.32Å; D84-S87 WeakPolarHBondContact O-CB 3.37Å; D84-S87 PolarHBondContact O-N 3.5Å; D84-S87 PolarHBondContact OD2-N 2.94Å; D84-L88 PolarHBondContact O-N 3.24Å
85	Y	95.2	Very high	95.6	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.153	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-37.7	-171.3	-176.7	-103.5	0	0	0	112.4	L80 V83 S87 L88 V89 V94 H126	L80-Y85 HydrophobicContact CD2-CD2 3.98Å; L80-Y85 HydrophobicContact CD2-CE2 3.92Å; V83-Y85 PolarHBondContact O-N 3.19Å; Y85-S87 VanDerWaalsContact C-N 3.31Å; Y85-S87 PolarHBondContact O-N 3.36Å; Y85-L88 WeakPolarHBondContact O-CB 3.41Å; Y85-L88 PolarHBondContact O-N 3.41Å; Y85-L88 VanDerWaalsContact O-N 3.12Å; Y85-V89 HydrophobicContact CD1-CG2 4.07Å; Y85-V89 HydrophobicContact CE1-CG2 3.81Å; Y85-V89 WeakPolarHBondContact O-CG2 3.32Å; Y85-V89 PolarHBondContact O-N 3.32Å; Y85-V94 HydrophobicContact CE2-CG1 4.05Å; Y85-V94 HydrophobicContact CE2-CG2 4.05Å; Y85-V94 WeakPolarHBondContact OH-CG1 3.19Å; Y85-H126 HydrophobicContact CD1-CB 4.17Å; Y85-H126 HydrophobicContact CD2-CB 3.34Å; Y85-H126 AromaticContact CD2-CG 3.52Å; Y85-H126 AromaticContact CD2-ND1 3.8Å; Y85-H126 HydrophobicContact CE1-CB 4.15Å; Y85-H126 HydrophobicContact CE2-CB 3.33Å; Y85-H126 AromaticContact CE2-CG 3.94Å; Y85-H126 HydrophobicContact CG-CB 3.77Å; Y85-H126 AromaticContact CG-ND1 3.95Å
86	E	94.5	Very high	95.5	Very high	122 Å²	122	47 Å²	47	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-64.9	-37.7	177.5	-62.1	-63.8	151.7	0	0	110.8	D84 L88 V89 D90	D84-E86 PolarHBondContact O-N 3.11Å; D84-E86 WeakPolarHBondContact OD2-CB 3.34Å; D84-E86 PolarHBondContact OD2-N 3.1Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.19Å; E86-V89 WeakPolarHBondContact O-CB 3.47Å; E86-V89 PolarHBondContact O-N 3.26Å; E86-V89 VanDerWaalsContact O-N 3.13Å; E86-D90 PolarHBondContact O-N 2.84Å
87	S	94.5	Very high	95.4	Very high	32 Å²	32	47.1 Å²	47.1	22%	0.224	25%	0.25	C	C	.	.	H	α-helix	trans	-59.2	-39.1	172.3	-176.7	0	0	0	0	112.5	D84 Y85 D90 V91	D84-S87 VanDerWaalsContact O-CB 3.32Å; D84-S87 WeakPolarHBondContact O-CB 3.37Å; D84-S87 PolarHBondContact O-N 3.5Å; D84-S87 PolarHBondContact OD2-N 2.94Å; Y85-S87 VanDerWaalsContact C-N 3.31Å; Y85-S87 PolarHBondContact O-N 3.36Å; S87-D90 PolarHBondContact O-N 3.18Å; S87-V91 VanDerWaalsContact O-CG2 3.32Å; S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 3.44Å; S87-V91 VanDerWaalsContact O-N 3.08Å
88	L	96.6	Very high	95.3	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-71	-34.7	175.8	-61.2	175.1	0	0	0	112.1	V49 L79 L80 V83 D84 Y85 E86 V91 G92 I93 V94	V49-L88 HydrophobicContact CG1-CD2 3.7Å; L79-L88 HydrophobicContact CB-CD1 4.3Å; L79-L88 HydrophobicContact CB-CD2 4.19Å; L79-L88 HydrophobicContact CD1-CD2 4.25Å; L80-L88 HydrophobicContact CD2-CD1 4.03Å; L80-L88 HydrophobicContact CG-CD1 4.49Å; V83-L88 HydrophobicContact CB-CD1 4.27Å; V83-L88 HydrophobicContact CB-CD2 4.07Å; V83-L88 HydrophobicContact CB-CG 4.19Å; V83-L88 HydrophobicContact CG1-CD2 3.84Å; V83-L88 HydrophobicContact CG1-CG 3.99Å; D84-L88 PolarHBondContact O-N 3.24Å; Y85-L88 WeakPolarHBondContact O-CB 3.41Å; Y85-L88 PolarHBondContact O-N 3.41Å; Y85-L88 VanDerWaalsContact O-N 3.12Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.19Å; L88-V91 PolarHBondContact O-N 3.48Å; L88-G92 PolarHBondContact O-N 3.33Å; L88-I93 HydrophobicContact CB-CG2 4.04Å; L88-I93 HydrophobicContact CD2-CG2 4.17Å; L88-I93 WeakPolarHBondContact O-CG2 3.49Å; L88-I93 PolarHBondContact O-N 3.48Å; L88-V94 HydrophobicContact CB-CG2 3.66Å
89	V	95.4	Very high	95.1	Very high	61 Å²	61	51.9 Å²	51.9	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-44.9	172.4	173.6	0	0	0	0	110.3	Y85 E86 V91 G92 V94	Y85-V89 HydrophobicContact CD1-CG2 4.07Å; Y85-V89 HydrophobicContact CE1-CG2 3.81Å; Y85-V89 WeakPolarHBondContact O-CG2 3.32Å; Y85-V89 PolarHBondContact O-N 3.32Å; E86-V89 WeakPolarHBondContact O-CB 3.47Å; E86-V89 PolarHBondContact O-N 3.26Å; E86-V89 VanDerWaalsContact O-N 3.13Å; V89-V91 VanDerWaalsContact C-N 3.32Å; V89-V91 PolarHBondContact O-N 2.98Å; V89-G92 WeakPolarHBondContact O-CA 3.43Å; V89-G92 PolarHBondContact O-N 3.07Å; V89-V94 HydrophobicContact CG2-CB 4.2Å; V89-V94 HydrophobicContact CG2-CG1 4.38Å; V89-V94 HydrophobicContact CG2-CG2 3.94Å
90	D	94	Very high	94.9	Very high	140 Å²	140	53.2 Å²	53.2	75%	0.749	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-35.7	178.5	-76.7	-18.1	0	0	0	112.8	E86 S87 G92	E86-D90 PolarHBondContact O-N 2.84Å; S87-D90 PolarHBondContact O-N 3.18Å; D90-G92 PolarHBondContact O-N 2.92Å
91	V	94.1	Very high	94.8	Very high	39 Å²	39	53.2 Å²	53.2	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-19	172.8	173.4	0	0	0	0	111.9	V49 K50 S87 L88 V89 I93	V49-V91 HydrophobicContact CG1-CG2 4.31Å; K50-V91 HydrophobicContact CG-CG1 4.21Å; K50-V91 HydrophobicContact CG-CG2 3.85Å; S87-V91 VanDerWaalsContact O-CG2 3.32Å; S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 3.44Å; S87-V91 VanDerWaalsContact O-N 3.08Å; L88-V91 PolarHBondContact O-N 3.48Å; V89-V91 VanDerWaalsContact C-N 3.32Å; V89-V91 PolarHBondContact O-N 2.98Å; V91-I93 VanDerWaalsContact C-N 3.34Å
92	G	94.9	Very high	94.7	Very high	25 Å²	25	49.2 Å²	49.2	26%	0.258	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-0.6	176.9	0	0	0	0	0	114.8	L88 V89 D90 V94 S95	L88-G92 PolarHBondContact O-N 3.33Å; V89-G92 WeakPolarHBondContact O-CA 3.43Å; V89-G92 PolarHBondContact O-N 3.07Å; D90-G92 PolarHBondContact O-N 2.92Å; G92-V94 VanDerWaalsContact C-N 3.35Å; G92-V94 PolarHBondContact O-N 3.31Å; G92-S95 PolarHBondContact O-OG 3.46Å; G92-S95 VanDerWaalsContact O-OG 3.05Å
93	I	96.1	Very high	94.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-33.7	-176	-169.7	59	0	0	0	112.1	I56 E57 L88 V91 S95 K96 L97	I56-I93 HydrophobicContact CG2-CD1 4.36Å; E57-I93 HydrophobicContact CG-CD1 3.61Å; L88-I93 HydrophobicContact CB-CG2 4.04Å; L88-I93 HydrophobicContact CD2-CG2 4.17Å; L88-I93 WeakPolarHBondContact O-CG2 3.49Å; L88-I93 PolarHBondContact O-N 3.48Å; V91-I93 VanDerWaalsContact C-N 3.34Å; I93-S95 PolarHBondContact O-N 2.93Å; I93-K96 PolarHBondContact O-N 2.91Å; I93-K96 VanDerWaalsContact O-N 3.17Å; I93-L97 HydrophobicContact CD1-CG 4.33Å; I93-L97 HydrophobicContact CG1-CD1 3.91Å; I93-L97 HydrophobicContact CG1-CG 4Å; I93-L97 WeakPolarHBondContact O-CG 3.23Å; I93-L97 PolarHBondContact O-N 3.42Å
94	V	96.4	Very high	94.6	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-48.4	-177.3	174.9	0	0	0	0	111.7	Y85 L88 V89 G92 K96 L97 E98 L123	Y85-V94 HydrophobicContact CE2-CG1 4.05Å; Y85-V94 HydrophobicContact CE2-CG2 4.05Å; Y85-V94 WeakPolarHBondContact OH-CG1 3.19Å; L88-V94 HydrophobicContact CB-CG2 3.66Å; V89-V94 HydrophobicContact CG2-CB 4.2Å; V89-V94 HydrophobicContact CG2-CG1 4.38Å; V89-V94 HydrophobicContact CG2-CG2 3.94Å; G92-V94 VanDerWaalsContact C-N 3.35Å; G92-V94 PolarHBondContact O-N 3.31Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 3.36Å; V94-L97 PolarHBondContact O-N 3.24Å; V94-E98 WeakPolarHBondContact O-CG 3.46Å; V94-E98 PolarHBondContact O-N 3Å; V94-L123 HydrophobicContact CG1-CD2 4.32Å
95	S	93.3	Very high	94.5	Very high	69 Å²	69	44.4 Å²	44.4	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-36.2	-179.7	66.6	0	0	0	0	113	G92 I93 E98	G92-S95 PolarHBondContact O-OG 3.46Å; G92-S95 VanDerWaalsContact O-OG 3.05Å; I93-S95 PolarHBondContact O-N 2.93Å; S95-E98 PolarHBondContact O-N 3.28Å
96	K	94.6	Very high	94.2	Very high	90 Å²	90	48.7 Å²	48.7	39%	0.391	27%	0.266	S	S	.	.	H	α-helix	trans	-71.7	-44.4	177.6	-65.2	176.8	-178.5	174	0	111.3	E57 I93 V94 E98 D99 Q100	E57-K96 VanDerWaalsContact CD-CD 3.43Å; E57-K96 HydrophobicContact CG-CD 3.98Å; E57-K96 WeakPolarHBondContact OE1-CD 3.25Å; E57-K96 WeakPolarHBondContact OE1-CE 3.27Å; E57-K96 IonicContact OE1-NZ 2.63Å; E57-K96 PolarHBondContact OE1-NZ 3.38Å; E57-K96 IonicContact OE2-NZ 3.5Å; E57-K96 PolarHBondContact OE2-NZ 3Å; I93-K96 PolarHBondContact O-N 2.91Å; I93-K96 VanDerWaalsContact O-N 3.17Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 3.36Å; K96-E98 PolarHBondContact O-N 3.41Å; K96-D99 PolarHBondContact O-N 3.49Å; K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 WeakPolarHBondContact O-CG 3.37Å; K96-Q100 PolarHBondContact O-N 2.73Å
97	L	96.8	Very high	94	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-35.8	174.7	-68.8	174.9	0	0	0	111.5	I56 L60 A76 I93 V94 D99 Q100 A101 L119 L123	I56-L97 HydrophobicContact CG2-CD2 3.95Å; L60-L97 HydrophobicContact CD1-CD2 3.98Å; A76-L97 HydrophobicContact CB-CD1 3.86Å; A76-L97 HydrophobicContact CB-CD2 3.64Å; A76-L97 HydrophobicContact CB-CG 4.42Å; I93-L97 HydrophobicContact CD1-CG 4.33Å; I93-L97 HydrophobicContact CG1-CD1 3.91Å; I93-L97 HydrophobicContact CG1-CG 4Å; I93-L97 WeakPolarHBondContact O-CG 3.23Å; I93-L97 PolarHBondContact O-N 3.42Å; V94-L97 PolarHBondContact O-N 3.24Å; L97-D99 VanDerWaalsContact C-N 3.32Å; L97-D99 PolarHBondContact O-N 2.58Å; L97-Q100 PolarHBondContact O-N 3.36Å; L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.35Å; L97-A101 PolarHBondContact O-N 3.36Å; L97-L119 HydrophobicContact CD2-CD2 4.28Å; L97-L123 HydrophobicContact CB-CD1 4.38Å; L97-L123 HydrophobicContact CB-CD2 4.49Å
98	E	95.1	Very high	93.6	Very high	29 Å²	29	47.5 Å²	47.5	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-43.3	179.5	-79.4	-177	-173	0	0	112.6	V94 S95 K96 L123 L131 R134 Y135	V94-E98 WeakPolarHBondContact O-CG 3.46Å; V94-E98 PolarHBondContact O-N 3Å; S95-E98 PolarHBondContact O-N 3.28Å; K96-E98 PolarHBondContact O-N 3.41Å; E98-L123 HydrophobicContact CG-CD1 4.31Å; E98-L131 HydrophobicContact CG-CD1 4.14Å; E98-L131 HydrophobicContact CG-CD2 4.15Å; E98-R134 IonicContact OE2-CZ 3.9Å; E98-R134 IonicContact OE2-NH1 3.82Å; E98-R134 PolarHBondContact OE2-NH1 3.33Å; E98-Y135 WeakPolarHBondContact CA-OH 3.44Å; E98-Y135 WeakPolarHBondContact O-CE1 3.47Å; E98-Y135 PolarHBondContact O-OH 2.96Å
99	D	92.1	Very high	93.2	Very high	88 Å²	88	49.2 Å²	49.2	47%	0.471	28%	0.275	S	S	.	.	H	α-helix	trans	-79.7	-39.9	179.9	-68.6	-22.8	0	0	0	111.8	K96 L97 A101 V102 R134	K96-D99 PolarHBondContact O-N 3.49Å; L97-D99 VanDerWaalsContact C-N 3.32Å; L97-D99 PolarHBondContact O-N 2.58Å; D99-A101 PolarHBondContact O-N 3.22Å; D99-V102 PolarHBondContact O-N 3.3Å; D99-R134 IonicContact OD1-NH2 3.52Å; D99-R134 PolarHBondContact OD1-NH2 3.27Å
100	Q	93.3	Very high	92.9	Very high	32 Å²	32	51.3 Å²	51.3	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-35	179.3	-75.4	176.8	-39.3	0	0	112.7	L60 K96 L97 V102 Q103 C104	L60-Q100 VanDerWaalsContact CB-NE2 3.31Å; L60-Q100 HydrophobicContact CD1-CB 4.47Å; L60-Q100 VanDerWaalsContact CD1-OE1 3.22Å; K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 WeakPolarHBondContact O-CG 3.37Å; K96-Q100 PolarHBondContact O-N 2.73Å; L97-Q100 PolarHBondContact O-N 3.36Å; Q100-V102 PolarHBondContact O-N 2.81Å; Q100-Q103 PolarHBondContact O-N 2.85Å; Q100-Q103 VanDerWaalsContact O-N 3.11Å; Q100-C104 PolarHBondContact O-N 3.19Å; Q100-C104 PolarHBondContact O-SG 2.91Å
101	A	94.5	Very high	92.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.4	-38.1	178	0	0	0	0	0	111.7	L97 D99 H105 L119 M120 L123	L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.35Å; L97-A101 PolarHBondContact O-N 3.36Å; D99-A101 PolarHBondContact O-N 3.22Å; A101-H105 PolarHBondContact O-CD2 3.39Å; A101-H105 VanDerWaalsContact O-CD2 3.27Å; A101-L119 HydrophobicContact CB-CD2 3.91Å; A101-L119 HydrophobicContact CB-CG 4.16Å; A101-M120 HydrophobicContact CB-CE 4.12Å; A101-M120 HydrophobicContact CB-CG 3.78Å; A101-L123 HydrophobicContact CB-CD1 4.41Å
102	V	93.5	Very high	92.9	Very high	43 Å²	43	47.5 Å²	47.5	26%	0.261	25%	0.25	S	S	.	.	H	α-helix	trans	-65.2	-48.4	176.4	176.6	0	0	0	0	111.2	D99 Q100 C104 H105 M120 Y135 T138	D99-V102 PolarHBondContact O-N 3.3Å; Q100-V102 PolarHBondContact O-N 2.81Å; V102-C104 VanDerWaalsContact C-N 3.29Å; V102-C104 PolarHBondContact O-N 3.14Å; V102-H105 PolarHBondContact O-N 2.7Å; V102-M120 VanDerWaalsContact CA-CE 3.42Å; V102-M120 HydrophobicContact CB-CE 4.06Å; V102-M120 HydrophobicContact CG2-CE 3.54Å; V102-Y135 HydrophobicContact CG2-CD1 4.05Å; V102-Y135 HydrophobicContact CG2-CE1 3.82Å; V102-T138 HydrophobicContact CG1-CG2 3.79Å
103	Q	92.8	Very high	92.9	Very high	109 Å²	109	47.2 Å²	47.2	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-32	-176.7	-61.5	177.8	8.2	0	0	112.5	L63 Q100 H105 D106	L63-Q103 HydrophobicContact CD1-CB 3.62Å; Q100-Q103 PolarHBondContact O-N 2.85Å; Q100-Q103 VanDerWaalsContact O-N 3.11Å; Q103-H105 PolarHBondContact O-N 2.89Å; Q103-H105 VanDerWaalsContact O-N 3.16Å; Q103-D106 PolarHBondContact O-N 3.25Å
104	C	94.3	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.5	-18.8	179.9	-67.8	0	0	0	0	113.6	I73 Q100 V102 D106 N107 V112 A116	I73-C104 HydrophobicContact CD1-CB 4.02Å; Q100-C104 PolarHBondContact O-N 3.19Å; Q100-C104 PolarHBondContact O-SG 2.91Å; V102-C104 VanDerWaalsContact C-N 3.29Å; V102-C104 PolarHBondContact O-N 3.14Å; C104-D106 VanDerWaalsContact C-N 3.26Å; C104-D106 PolarHBondContact O-N 3.44Å; C104-N107 VanDerWaalsContact O-CB 3.26Å; C104-N107 WeakPolarHBondContact O-CB 3.16Å; C104-N107 PolarHBondContact O-N 2.85Å; C104-V112 HydrophobicContact CB-CG1 4.26Å; C104-A116 HydrophobicContact CB-CB 3.57Å
105	H	92.3	Very high	92.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-71.8	-17.6	176.4	-77.6	-70.8	0	0	0	114.2	A101 V102 Q103 N107 R113 G117 W195 C198	A101-H105 PolarHBondContact O-CD2 3.39Å; A101-H105 VanDerWaalsContact O-CD2 3.27Å; V102-H105 PolarHBondContact O-N 2.7Å; Q103-H105 PolarHBondContact O-N 2.89Å; Q103-H105 VanDerWaalsContact O-N 3.16Å; H105-N107 VanDerWaalsContact C-N 3.28Å; H105-R113 PolarHBondContact CE1-O 2.93Å; H105-R113 WeakPolarHBondContact O-CD 3.47Å; H105-R113 WeakPolarHBondContact O-CG 3.42Å; H105-G117 PolarHBondContact CE1-N 3.02Å; H105-W195 HydrophobicContact CB-CH2 3.29Å; H105-W195 HydrophobicContact CB-CZ2 3.38Å; H105-W195 HydrophobicContact CB-CZ3 3.96Å; H105-W195 AromaticContact CD2-CH2 3.82Å; H105-W195 AromaticContact CD2-CZ3 3.72Å; H105-W195 AromaticContact CG-CH2 3.48Å; H105-W195 VanDerWaalsContact CG-CH2 3.48Å; H105-W195 AromaticContact CG-CZ2 3.95Å; H105-W195 AromaticContact CG-CZ3 3.61Å; H105-W195 AromaticContact ND1-CZ3 3.97Å; H105-C198 VanDerWaalsContact CE1-SG 3.57Å; H105-C198 PolarHBondContact NE2-SG 3.27Å; H105-C198 VanDerWaalsContact NE2-SG 3.39Å
106	D	88.1	Confident	93.1	Very high	130 Å²	130	45.4 Å²	45.4	70%	0.695	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-85.4	-2.4	174.6	-66.3	-31.5	0	0	0	112.6	Q103 C104	Q103-D106 PolarHBondContact O-N 3.25Å; C104-D106 VanDerWaalsContact C-N 3.26Å; C104-D106 PolarHBondContact O-N 3.44Å
107	N	90.3	Very high	93.2	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.048	21%	0.208	C	C	.	.			trans	-65.1	136	178.9	-167.4	-74.7	0	0	0	111	L63 C104 H105 E109 V112 R113	L63-N107 PolarHBondContact O-ND2 3.18Å; C104-N107 VanDerWaalsContact O-CB 3.26Å; C104-N107 WeakPolarHBondContact O-CB 3.16Å; C104-N107 PolarHBondContact O-N 2.85Å; H105-N107 VanDerWaalsContact C-N 3.28Å; N107-E109 VanDerWaalsContact C-N 3.26Å; N107-E109 PolarHBondContact O-N 3.37Å; N107-E109 WeakPolarHBondContact OD1-CB 3.42Å; N107-E109 PolarHBondContact OD1-N 3.04Å; N107-V112 HydrophobicContact CB-CB 3.96Å; N107-V112 HydrophobicContact CB-CG1 3.57Å; N107-R113 WeakPolarHBondContact O-CD 3.48Å; N107-R113 WeakPolarHBondContact O-CG 3.47Å; N107-R113 PolarHBondContact O-NH1 3.24Å
108	P	86.3	Confident	93.3	Very high	119 Å²	119	44.6 Å²	44.6	77%	0.773	22%	0.224	S	C	*	.	S	Bend	trans	-65.1	-27.2	-178.8	25.4	-35.5	0	0	0	113.4	R113	P108-R113 PolarHBondContact O-NH1 3.42Å
109	E	89.3	Confident	93.4	Very high	38 Å²	38	43.3 Å²	43.3	18%	0.178	22%	0.218	C	C	.	.	S	Bend	trans	-80.4	121.2	179.7	175.5	55.1	-140.9	0	0	111.3	W66 N107 R111 V112 R113	W66-E109 HydrophobicContact CB-CB 3.66Å; W66-E109 HydrophobicContact CB-CG 3.9Å; W66-E109 HydrophobicContact CD2-CB 4.46Å; W66-E109 HydrophobicContact CD2-CG 3.77Å; W66-E109 HydrophobicContact CE3-CG 3.71Å; W66-E109 HydrophobicContact CG-CB 4.03Å; W66-E109 HydrophobicContact CG-CG 3.87Å; N107-E109 VanDerWaalsContact C-N 3.26Å; N107-E109 PolarHBondContact O-N 3.37Å; N107-E109 WeakPolarHBondContact OD1-CB 3.42Å; N107-E109 PolarHBondContact OD1-N 3.04Å; E109-R111 VanDerWaalsContact C-N 3.25Å; E109-R111 VanDerWaalsContact CD-NH1 3.33Å; E109-R111 HydrophobicContact CG-CB 4.05Å; E109-R111 PolarHBondContact O-N 2.99Å; E109-R111 WeakPolarHBondContact OE1-CB 3.5Å; E109-R111 WeakPolarHBondContact OE1-CD 3.27Å; E109-R111 WeakPolarHBondContact OE1-CG 3.44Å; E109-R111 IonicContact OE1-CZ 3.8Å; E109-R111 PolarHBondContact OE1-N 2.99Å; E109-R111 IonicContact OE1-NE 3.78Å; E109-R111 IonicContact OE1-NH1 3.4Å; E109-R111 PolarHBondContact OE1-NH1 2.98Å; E109-R111 IonicContact OE2-NH1 3.29Å; E109-V112 HydrophobicContact CB-CG2 4.19Å; E109-V112 HydrophobicContact CG-CG2 4.23Å; E109-V112 WeakPolarHBondContact O-CB 3.26Å; E109-V112 PolarHBondContact O-N 3.29Å; E109-V112 VanDerWaalsContact O-N 3.12Å; E109-R113 PolarHBondContact O-N 3.2Å
110	F	89.8	Confident	93.7	Very high	106 Å²	106	39.1 Å²	39.1	47%	0.465	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-31.4	-176.4	81	-81.3	0	0	0	112.8	V112 R113 I114 T194	F110-V112 VanDerWaalsContact C-N 3.29Å; F110-V112 PolarHBondContact O-N 3.46Å; F110-R113 PolarHBondContact O-N 3.14Å; F110-I114 HydrophobicContact CD2-CG1 4.46Å; F110-I114 WeakPolarHBondContact O-CG1 3.38Å; F110-I114 PolarHBondContact O-N 3.4Å; F110-T194 HydrophobicContact CB-CG2 4.35Å
111	R	92.7	Very high	93.9	Very high	98 Å²	98	37.6 Å²	37.6	37%	0.37	19%	0.188	S	C	.	.	H	α-helix	trans	-61	-39	176.6	-66.1	172.2	-167.7	108.5	-6.7	111.8	F70 E109 I114 A115	F70-R111 HydrophobicContact CD2-CB 4.06Å; F70-R111 HydrophobicContact CE2-CB 4.2Å; E109-R111 VanDerWaalsContact C-N 3.25Å; E109-R111 VanDerWaalsContact CD-NH1 3.33Å; E109-R111 HydrophobicContact CG-CB 4.05Å; E109-R111 PolarHBondContact O-N 2.99Å; E109-R111 WeakPolarHBondContact OE1-CB 3.5Å; E109-R111 WeakPolarHBondContact OE1-CD 3.27Å; E109-R111 WeakPolarHBondContact OE1-CG 3.44Å; E109-R111 IonicContact OE1-CZ 3.8Å; E109-R111 PolarHBondContact OE1-N 2.99Å; E109-R111 IonicContact OE1-NE 3.78Å; E109-R111 IonicContact OE1-NH1 3.4Å; E109-R111 PolarHBondContact OE1-NH1 2.98Å; E109-R111 IonicContact OE2-NH1 3.29Å; R111-I114 PolarHBondContact O-N 3.21Å; R111-A115 WeakPolarHBondContact O-CB 3.24Å; R111-A115 PolarHBondContact O-N 3.05Å
112	V	95.4	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-45.2	175.3	174.2	0	0	0	0	110.1	W66 V69 F70 I73 C104 N107 E109 F110 I114 A115 A116	W66-V112 HydrophobicContact CB-CG2 3.9Å; W66-V112 WeakPolarHBondContact O-CG2 3.27Å; V69-V112 HydrophobicContact CB-CG1 4.39Å; V69-V112 HydrophobicContact CB-CG2 4.34Å; V69-V112 HydrophobicContact CG1-CG1 3.52Å; V69-V112 HydrophobicContact CG1-CG2 4.32Å; F70-V112 HydrophobicContact CB-CG2 4.26Å; I73-V112 HydrophobicContact CD1-CG1 4.12Å; C104-V112 HydrophobicContact CB-CG1 4.26Å; N107-V112 HydrophobicContact CB-CB 3.96Å; N107-V112 HydrophobicContact CB-CG1 3.57Å; E109-V112 HydrophobicContact CB-CG2 4.19Å; E109-V112 HydrophobicContact CG-CG2 4.23Å; E109-V112 WeakPolarHBondContact O-CB 3.26Å; E109-V112 PolarHBondContact O-N 3.29Å; E109-V112 VanDerWaalsContact O-N 3.12Å; F110-V112 VanDerWaalsContact C-N 3.29Å; F110-V112 PolarHBondContact O-N 3.46Å; V112-I114 VanDerWaalsContact C-N 3.33Å; V112-I114 PolarHBondContact O-N 3.04Å; V112-A115 PolarHBondContact O-N 3.49Å; V112-A116 WeakPolarHBondContact O-CB 3.26Å; V112-A116 PolarHBondContact O-N 3.25Å
113	R	95	Very high	94.2	Very high	19 Å²	19	36.1 Å²	36.1	7%	0.072	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-37	178.2	-60	-165.8	-63.4	-84.6	7.2	113.2	H105 N107 P108 E109 F110 G117 N191 T194	H105-R113 PolarHBondContact CE1-O 2.93Å; H105-R113 WeakPolarHBondContact O-CD 3.47Å; H105-R113 WeakPolarHBondContact O-CG 3.42Å; N107-R113 WeakPolarHBondContact O-CD 3.48Å; N107-R113 WeakPolarHBondContact O-CG 3.47Å; N107-R113 PolarHBondContact O-NH1 3.24Å; P108-R113 PolarHBondContact O-NH1 3.42Å; E109-R113 PolarHBondContact O-N 3.2Å; F110-R113 PolarHBondContact O-N 3.14Å; R113-G117 PolarHBondContact O-N 3.37Å; R113-N191 VanDerWaalsContact NE-CG 3.34Å; R113-N191 PolarHBondContact NE-OD1 3.25Å; R113-N191 PolarHBondContact NH2-OD1 3.44Å; R113-T194 HydrophobicContact CB-CG2 3.94Å; R113-T194 PolarHBondContact NE-OG1 3.37Å; R113-T194 VanDerWaalsContact NE-OG1 3.1Å
114	I	94.9	Very high	94.4	Very high	40 Å²	40	31 Å²	31	21%	0.205	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-48.8	172.9	-67.4	-64.8	0	0	0	110.6	F110 R111 V112 A116 G117 Q118 T194 K197	F110-I114 HydrophobicContact CD2-CG1 4.46Å; F110-I114 WeakPolarHBondContact O-CG1 3.38Å; F110-I114 PolarHBondContact O-N 3.4Å; R111-I114 PolarHBondContact O-N 3.21Å; V112-I114 VanDerWaalsContact C-N 3.33Å; V112-I114 PolarHBondContact O-N 3.04Å; I114-A116 VanDerWaalsContact C-N 3.29Å; I114-A116 PolarHBondContact O-N 3.21Å; I114-G117 PolarHBondContact O-N 3.16Å; I114-G117 VanDerWaalsContact O-N 3.16Å; I114-Q118 WeakPolarHBondContact O-CG 3.47Å; I114-Q118 PolarHBondContact O-N 3.11Å; I114-T194 HydrophobicContact CD1-CG2 3.79Å; I114-T194 HydrophobicContact CG1-CG2 4.02Å; I114-K197 HydrophobicContact CD1-CB 4Å; I114-K197 HydrophobicContact CD1-CD 3.37Å; I114-K197 HydrophobicContact CD1-CG 4.31Å
115	A	96.6	Very high	94.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-39	178.3	0	0	0	0	0	111.7	F70 I73 R111 V112 G117 Q118 L119	F70-A115 HydrophobicContact CD2-CB 3.99Å; F70-A115 HydrophobicContact CE2-CB 4.06Å; I73-A115 HydrophobicContact CB-CB 4.22Å; I73-A115 HydrophobicContact CD1-CB 4.25Å; I73-A115 HydrophobicContact CG2-CB 3.7Å; I73-A115 WeakPolarHBondContact CG2-O 3.38Å; R111-A115 WeakPolarHBondContact O-CB 3.24Å; R111-A115 PolarHBondContact O-N 3.05Å; V112-A115 PolarHBondContact O-N 3.49Å; A115-G117 VanDerWaalsContact C-N 3.33Å; A115-G117 PolarHBondContact O-N 3.44Å; A115-Q118 WeakPolarHBondContact O-CB 3.33Å; A115-Q118 PolarHBondContact O-N 3.09Å; A115-Q118 VanDerWaalsContact O-N 3.15Å; A115-L119 PolarHBondContact O-N 3.23Å
116	A	97.4	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-42.4	174.9	0	0	0	0	0	112.1	I73 C104 V112 I114 L119 M120	I73-A116 HydrophobicContact CD1-CB 4.42Å; C104-A116 HydrophobicContact CB-CB 3.57Å; V112-A116 WeakPolarHBondContact O-CB 3.26Å; V112-A116 PolarHBondContact O-N 3.25Å; I114-A116 VanDerWaalsContact C-N 3.29Å; I114-A116 PolarHBondContact O-N 3.21Å; A116-L119 WeakPolarHBondContact O-CB 3.41Å; A116-L119 PolarHBondContact O-N 3.38Å; A116-M120 PolarHBondContact O-N 3.24Å
117	G	97.6	Very high	94.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-41.5	173.4	0	0	0	0	0	113	H105 R113 I114 A115 L119 M120 G121 E201	H105-G117 PolarHBondContact CE1-N 3.02Å; R113-G117 PolarHBondContact O-N 3.37Å; I114-G117 PolarHBondContact O-N 3.16Å; I114-G117 VanDerWaalsContact O-N 3.16Å; A115-G117 VanDerWaalsContact C-N 3.33Å; A115-G117 PolarHBondContact O-N 3.44Å; G117-L119 VanDerWaalsContact C-N 3.32Å; G117-L119 PolarHBondContact O-N 3.37Å; G117-M120 PolarHBondContact O-N 3.31Å; G117-G121 PolarHBondContact O-N 3.32Å; G117-E201 VanDerWaalsContact O-CB 3.27Å; G117-E201 WeakPolarHBondContact O-CB 3.36Å
118	Q	97.5	Very high	95.1	Very high	75 Å²	75	36.2 Å²	36.2	35%	0.35	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-37.5	175.4	-67.3	173.5	-25.5	0	0	111.9	I77 I114 A115 G121 S122 E201	I77-Q118 HydrophobicContact CD1-CB 3.69Å; I114-Q118 WeakPolarHBondContact O-CG 3.47Å; I114-Q118 PolarHBondContact O-N 3.11Å; A115-Q118 WeakPolarHBondContact O-CB 3.33Å; A115-Q118 PolarHBondContact O-N 3.09Å; A115-Q118 VanDerWaalsContact O-N 3.15Å; Q118-G121 PolarHBondContact O-N 2.87Å; Q118-S122 WeakPolarHBondContact O-CB 3.37Å; Q118-S122 PolarHBondContact O-N 2.89Å; Q118-S122 PolarHBondContact O-OG 2.88Å; Q118-E201 HydrophobicContact CG-CG 4.02Å
119	L	98.1	Very high	95.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-48	174.3	178.7	60.1	0	0	0	111.3	I73 A76 I77 L80 L97 A101 A115 A116 G117 G121 S122 L123	I73-L119 HydrophobicContact CG1-CD2 4.41Å; I73-L119 HydrophobicContact CG2-CB 3.88Å; I73-L119 HydrophobicContact CG2-CD2 4.18Å; A76-L119 HydrophobicContact CB-CD1 4.03Å; I77-L119 HydrophobicContact CD1-CB 4.28Å; I77-L119 HydrophobicContact CG1-CB 4.14Å; I77-L119 HydrophobicContact CG1-CD1 4.12Å; L80-L119 HydrophobicContact CD1-CD1 3.71Å; L97-L119 HydrophobicContact CD2-CD2 4.28Å; A101-L119 HydrophobicContact CB-CD2 3.91Å; A101-L119 HydrophobicContact CB-CG 4.16Å; A115-L119 PolarHBondContact O-N 3.23Å; A116-L119 WeakPolarHBondContact O-CB 3.41Å; A116-L119 PolarHBondContact O-N 3.38Å; G117-L119 VanDerWaalsContact C-N 3.32Å; G117-L119 PolarHBondContact O-N 3.37Å; L119-G121 VanDerWaalsContact C-N 3.32Å; L119-G121 PolarHBondContact O-N 2.97Å; L119-S122 PolarHBondContact O-N 3.15Å; L119-S122 VanDerWaalsContact O-N 3.13Å; L119-L123 HydrophobicContact CD1-CD1 4.26Å; L119-L123 HydrophobicContact CD1-CG 4.29Å; L119-L123 HydrophobicContact CG-CD1 4.11Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 3.32Å
120	M	97.7	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-44.6	174.4	-73.8	-164.7	177.3	0	0	112	A101 V102 A116 G117 S122 L123 C124 Y135 V139 M202	A101-M120 HydrophobicContact CB-CE 4.12Å; A101-M120 HydrophobicContact CB-CG 3.78Å; V102-M120 VanDerWaalsContact CA-CE 3.42Å; V102-M120 HydrophobicContact CB-CE 4.06Å; V102-M120 HydrophobicContact CG2-CE 3.54Å; A116-M120 PolarHBondContact O-N 3.24Å; G117-M120 PolarHBondContact O-N 3.31Å; M120-S122 VanDerWaalsContact C-N 3.34Å; M120-S122 PolarHBondContact O-N 3.33Å; M120-L123 PolarHBondContact O-N 2.78Å; M120-C124 WeakPolarHBondContact O-CB 3.5Å; M120-C124 PolarHBondContact O-N 2.99Å; M120-C124 PolarHBondContact O-SG 2.98Å; M120-Y135 HydrophobicContact CB-CD2 4.34Å; M120-Y135 HydrophobicContact CB-CE2 4.25Å; M120-Y135 HydrophobicContact CE-CD1 4.33Å; M120-Y135 HydrophobicContact CE-CE1 4.36Å; M120-Y135 HydrophobicContact CG-CD2 4.31Å; M120-Y135 HydrophobicContact CG-CE2 4.1Å; M120-Y135 HydrophobicContact SD-CD1 4.46Å; M120-Y135 HydrophobicContact SD-CD2 4.33Å; M120-Y135 HydrophobicContact SD-CG 4.25Å; M120-V139 HydrophobicContact SD-CG2 4.2Å; M120-M202 HydrophobicContact CB-CG 4.15Å; M120-M202 HydrophobicContact SD-SD 4.39Å
121	G	97.5	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.8	-45.5	174.4	0	0	0	0	0	112.1	G117 Q118 L119 C124 R125 E201 N205	G117-G121 PolarHBondContact O-N 3.32Å; Q118-G121 PolarHBondContact O-N 2.87Å; L119-G121 VanDerWaalsContact C-N 3.32Å; L119-G121 PolarHBondContact O-N 2.97Å; G121-C124 PolarHBondContact O-N 3.45Å; G121-R125 PolarHBondContact O-N 3.46Å; G121-E201 WeakPolarHBondContact CA-O 3.3Å; G121-N205 WeakPolarHBondContact O-CB 3.43Å
122	S	97.4	Very high	96.4	Very high	13 Å²	13	25.2 Å²	25.2	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-45.1	179.7	-57.9	0	0	0	0	110.9	Q118 L119 M120 C124 R125 H126	Q118-S122 WeakPolarHBondContact O-CB 3.37Å; Q118-S122 PolarHBondContact O-N 2.89Å; Q118-S122 PolarHBondContact O-OG 2.88Å; L119-S122 PolarHBondContact O-N 3.15Å; L119-S122 VanDerWaalsContact O-N 3.13Å; M120-S122 VanDerWaalsContact C-N 3.34Å; M120-S122 PolarHBondContact O-N 3.33Å; S122-C124 PolarHBondContact O-N 3.49Å; S122-R125 VanDerWaalsContact O-CB 3.25Å; S122-R125 WeakPolarHBondContact O-CB 3.36Å; S122-R125 PolarHBondContact O-N 3.16Å; S122-R125 VanDerWaalsContact O-N 3.16Å; S122-H126 PolarHBondContact O-CD2 3.17Å
123	L	97.4	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-43.5	174	-69.4	166.6	0	0	0	112.1	L80 V94 L97 E98 A101 L119 M120 R125 H126 A127 L131 Y135	L80-L123 HydrophobicContact CD1-CD2 3.73Å; L80-L123 HydrophobicContact CD1-CG 3.92Å; L80-L123 HydrophobicContact CD2-CD2 3.94Å; V94-L123 HydrophobicContact CG1-CD2 4.32Å; L97-L123 HydrophobicContact CB-CD1 4.38Å; L97-L123 HydrophobicContact CB-CD2 4.49Å; E98-L123 HydrophobicContact CG-CD1 4.31Å; A101-L123 HydrophobicContact CB-CD1 4.41Å; L119-L123 HydrophobicContact CD1-CD1 4.26Å; L119-L123 HydrophobicContact CD1-CG 4.29Å; L119-L123 HydrophobicContact CG-CD1 4.11Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 3.32Å; M120-L123 PolarHBondContact O-N 2.78Å; L123-R125 VanDerWaalsContact C-N 3.26Å; L123-R125 PolarHBondContact O-N 3.01Å; L123-H126 PolarHBondContact O-N 2.92Å; L123-H126 VanDerWaalsContact O-N 3.15Å; L123-A127 PolarHBondContact O-N 3.23Å; L123-L131 HydrophobicContact CB-CD2 3.63Å; L123-Y135 WeakPolarHBondContact CD1-OH 3.25Å
124	C	96.9	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-32.3	175.8	-69.7	0	0	0	0	112.9	M120 G121 S122 H126 G128	M120-C124 WeakPolarHBondContact O-CB 3.5Å; M120-C124 PolarHBondContact O-N 2.99Å; M120-C124 PolarHBondContact O-SG 2.98Å; G121-C124 PolarHBondContact O-N 3.45Å; S122-C124 PolarHBondContact O-N 3.49Å; C124-H126 VanDerWaalsContact C-N 3.28Å; C124-H126 PolarHBondContact O-N 3.31Å; C124-G128 WeakPolarHBondContact O-CA 3.28Å; C124-G128 PolarHBondContact O-N 3.22Å
125	R	96.5	Very high	96.7	Very high	134 Å²	134	33.6 Å²	33.6	51%	0.506	17%	0.169	S	C	.	.	H	α-helix	trans	-59.7	-39.6	175.6	-172	-174.4	-71.1	177.5	-4.8	112	G121 S122 L123 N205	G121-R125 PolarHBondContact O-N 3.46Å; S122-R125 VanDerWaalsContact O-CB 3.25Å; S122-R125 WeakPolarHBondContact O-CB 3.36Å; S122-R125 PolarHBondContact O-N 3.16Å; S122-R125 VanDerWaalsContact O-N 3.16Å; L123-R125 VanDerWaalsContact C-N 3.26Å; L123-R125 PolarHBondContact O-N 3.01Å; R125-N205 WeakPolarHBondContact CA-O 3.21Å; R125-N205 HydrophobicContact CB-CB 4.1Å; R125-N205 PolarHBondContact NE-OD1 3.16Å; R125-N205 PolarHBondContact NH2-OD1 3.19Å
126	H	95.1	Very high	96.7	Very high	70 Å²	70	34.8 Å²	34.8	32%	0.324	18%	0.175	S	C	.	.	H	α-helix	trans	-88.8	-49.4	-176.1	-67.7	-85.5	0	0	0	112.4	L80 Y85 S122 L123 C124 G128	L80-H126 PolarHBondContact O-CE1 3.42Å; L80-H126 PolarHBondContact O-NE2 3.08Å; Y85-H126 HydrophobicContact CD1-CB 4.17Å; Y85-H126 HydrophobicContact CD2-CB 3.34Å; Y85-H126 AromaticContact CD2-CG 3.52Å; Y85-H126 AromaticContact CD2-ND1 3.8Å; Y85-H126 HydrophobicContact CE1-CB 4.15Å; Y85-H126 HydrophobicContact CE2-CB 3.33Å; Y85-H126 AromaticContact CE2-CG 3.94Å; Y85-H126 HydrophobicContact CG-CB 3.77Å; Y85-H126 AromaticContact CG-ND1 3.95Å; S122-H126 PolarHBondContact O-CD2 3.17Å; L123-H126 PolarHBondContact O-N 2.92Å; L123-H126 VanDerWaalsContact O-N 3.15Å; C124-H126 VanDerWaalsContact C-N 3.28Å; C124-H126 PolarHBondContact O-N 3.31Å; H126-G128 VanDerWaalsContact C-N 3.32Å
127	A	94.1	Very high	96.6	Very high	29 Å²	29	38.8 Å²	38.8	24%	0.24	20%	0.201	C	C	.	.	H	α-helix	trans	-77.3	-19	-179.3	0	0	0	0	0	113.2	L123 S130 L131	L123-A127 PolarHBondContact O-N 3.23Å; A127-S130 PolarHBondContact O-OG 3.31Å; A127-S130 VanDerWaalsContact O-OG 3.13Å; A127-L131 HydrophobicContact CB-CB 3.52Å; A127-L131 HydrophobicContact CB-CD2 3.64Å; A127-L131 HydrophobicContact CB-CG 4.22Å
128	G	94.9	Very high	96.5	Very high	16 Å²	16	41.5 Å²	41.5	17%	0.165	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-150.4	175.1	0	0	0	0	0	114.3	C124 H126 S130 L131 F132	C124-G128 WeakPolarHBondContact O-CA 3.28Å; C124-G128 PolarHBondContact O-N 3.22Å; H126-G128 VanDerWaalsContact C-N 3.32Å; G128-S130 VanDerWaalsContact C-N 3.28Å; G128-S130 PolarHBondContact O-N 3.46Å; G128-L131 PolarHBondContact O-N 3.2Å; G128-F132 PolarHBondContact O-N 3.33Å
129	L	96	Very high	96.5	Very high	39 Å²	39	38 Å²	38	20%	0.204	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-32.9	-171.7	-178.8	59.9	0	0	0	113.7	F132 I133 L206 D210 K213 V214	L129-F132 PolarHBondContact O-N 3.26Å; L129-I133 HydrophobicContact CD1-CD1 3.88Å; L129-I133 HydrophobicContact CD1-CG1 4Å; L129-I133 HydrophobicContact CD2-CD1 4.42Å; L129-I133 HydrophobicContact CG-CD1 3.81Å; L129-I133 HydrophobicContact CG-CG1 4.33Å; L129-I133 WeakPolarHBondContact O-CG1 3.32Å; L129-I133 PolarHBondContact O-N 3.12Å; L129-L206 HydrophobicContact CB-CD1 4.5Å; L129-L206 HydrophobicContact CD1-CD2 4.12Å; L129-D210 HydrophobicContact CB-CB 4.29Å; L129-K213 HydrophobicContact CD2-CB 4.13Å; L129-K213 HydrophobicContact CD2-CD 3.94Å; L129-V214 HydrophobicContact CD1-CG2 3.57Å
130	S	96.1	Very high	96.4	Very high	86 Å²	86	39 Å²	39	60%	0.601	21%	0.206	S	C	*	.	H	α-helix	trans	-61.7	-49	-178.5	51.7	0	0	0	0	111.7	A127 G128 I133 R134	A127-S130 PolarHBondContact O-OG 3.31Å; A127-S130 VanDerWaalsContact O-OG 3.13Å; G128-S130 VanDerWaalsContact C-N 3.28Å; G128-S130 PolarHBondContact O-N 3.46Å; S130-I133 PolarHBondContact O-N 3.03Å; S130-R134 PolarHBondContact O-N 3.48Å; S130-R134 VanDerWaalsContact O-N 3.11Å
131	L	96	Very high	96.2	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-71.3	-37.2	178.8	-173.6	61.7	0	0	0	111.7	E98 L123 A127 G128 I133 R134 Y135	E98-L131 HydrophobicContact CG-CD1 4.14Å; E98-L131 HydrophobicContact CG-CD2 4.15Å; L123-L131 HydrophobicContact CB-CD2 3.63Å; A127-L131 HydrophobicContact CB-CB 3.52Å; A127-L131 HydrophobicContact CB-CD2 3.64Å; A127-L131 HydrophobicContact CB-CG 4.22Å; G128-L131 PolarHBondContact O-N 3.2Å; L131-I133 VanDerWaalsContact C-N 3.32Å; L131-I133 PolarHBondContact O-N 2.91Å; L131-R134 HydrophobicContact CD1-CB 4.44Å; L131-R134 WeakPolarHBondContact O-CB 3.33Å; L131-R134 PolarHBondContact O-N 2.94Å; L131-R134 VanDerWaalsContact O-N 3.1Å; L131-Y135 HydrophobicContact CD1-CD2 4.22Å; L131-Y135 HydrophobicContact CD1-CE1 4.32Å; L131-Y135 HydrophobicContact CD1-CE2 3.8Å; L131-Y135 HydrophobicContact CD2-CD2 4.5Å; L131-Y135 HydrophobicContact CD2-CE2 3.77Å; L131-Y135 HydrophobicContact CG-CD2 3.9Å; L131-Y135 HydrophobicContact CG-CE2 3.58Å; L131-Y135 PolarHBondContact O-N 2.97Å
132	F	97.1	Very high	96	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-54.7	-48.7	172.8	-178.3	-81	0	0	0	111.4	G128 L129 R134 Y135 L136 M202 V203 L206 F211 V214	G128-F132 PolarHBondContact O-N 3.33Å; L129-F132 PolarHBondContact O-N 3.26Å; F132-R134 VanDerWaalsContact C-N 3.3Å; F132-R134 PolarHBondContact O-N 2.79Å; F132-Y135 PolarHBondContact O-N 3.49Å; F132-L136 HydrophobicContact CE1-CB 4.47Å; F132-L136 HydrophobicContact CE1-CD1 4.23Å; F132-L136 HydrophobicContact CE1-CD2 4.13Å; F132-L136 HydrophobicContact CZ-CD1 4.38Å; F132-L136 WeakPolarHBondContact O-CB 3.37Å; F132-L136 PolarHBondContact O-N 3.15Å; F132-M202 HydrophobicContact CD2-CB 3.89Å; F132-M202 HydrophobicContact CD2-CE 3.75Å; F132-M202 HydrophobicContact CE2-CB 3.67Å; F132-M202 HydrophobicContact CE2-CE 3.92Å; F132-M202 HydrophobicContact CG-CE 4.14Å; F132-M202 HydrophobicContact CZ-CE 4.41Å; F132-V203 HydrophobicContact CE2-CG2 4Å; F132-V203 HydrophobicContact CZ-CG2 4.07Å; F132-L206 HydrophobicContact CB-CD1 4.47Å; F132-L206 HydrophobicContact CB-CD2 4.34Å; F132-L206 HydrophobicContact CD1-CD2 4.26Å; F132-L206 HydrophobicContact CD2-CB 4.44Å; F132-L206 HydrophobicContact CD2-CD2 3.93Å; F132-L206 HydrophobicContact CE2-CD2 4.3Å; F132-L206 HydrophobicContact CG-CD2 3.91Å; F132-F211 HydrophobicContact CZ-CD2 4.15Å; F132-F211 HydrophobicContact CZ-CE2 4.08Å; F132-V214 HydrophobicContact CD1-CG2 4.04Å; F132-V214 HydrophobicContact CE1-CG1 4.03Å; F132-V214 HydrophobicContact CE1-CG2 3.85Å
133	I	96.7	Very high	95.9	Very high	92 Å²	92	43.9 Å²	43.9	47%	0.472	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-35.4	177.9	-70.5	171.9	0	0	0	111.4	L129 S130 L131 P137	L129-I133 HydrophobicContact CD1-CD1 3.88Å; L129-I133 HydrophobicContact CD1-CG1 4Å; L129-I133 HydrophobicContact CD2-CD1 4.42Å; L129-I133 HydrophobicContact CG-CD1 3.81Å; L129-I133 HydrophobicContact CG-CG1 4.33Å; L129-I133 WeakPolarHBondContact O-CG1 3.32Å; L129-I133 PolarHBondContact O-N 3.12Å; S130-I133 PolarHBondContact O-N 3.03Å; L131-I133 VanDerWaalsContact C-N 3.32Å; L131-I133 PolarHBondContact O-N 2.91Å; I133-P137 WeakPolarHBondContact O-CD 3.49Å
134	R	96.2	Very high	95.6	Very high	137 Å²	137	47 Å²	47	52%	0.517	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-40.3	176.3	-178.5	177.4	171.3	-160	-8	112.4	E98 D99 S130 L131 F132	E98-R134 IonicContact OE2-CZ 3.9Å; E98-R134 IonicContact OE2-NH1 3.82Å; E98-R134 PolarHBondContact OE2-NH1 3.33Å; D99-R134 IonicContact OD1-NH2 3.52Å; D99-R134 PolarHBondContact OD1-NH2 3.27Å; S130-R134 PolarHBondContact O-N 3.48Å; S130-R134 VanDerWaalsContact O-N 3.11Å; L131-R134 HydrophobicContact CD1-CB 4.44Å; L131-R134 WeakPolarHBondContact O-CB 3.33Å; L131-R134 PolarHBondContact O-N 2.94Å; L131-R134 VanDerWaalsContact O-N 3.1Å; F132-R134 VanDerWaalsContact C-N 3.3Å; F132-R134 PolarHBondContact O-N 2.79Å
135	Y	97.2	Very high	95.3	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-79.1	-29.9	178.9	-73.6	-35.8	0	0	0	114.5	E98 V102 M120 L123 L131 F132 T138 V139	E98-Y135 WeakPolarHBondContact CA-OH 3.44Å; E98-Y135 WeakPolarHBondContact O-CE1 3.47Å; E98-Y135 PolarHBondContact O-OH 2.96Å; V102-Y135 HydrophobicContact CG2-CD1 4.05Å; V102-Y135 HydrophobicContact CG2-CE1 3.82Å; M120-Y135 HydrophobicContact CB-CD2 4.34Å; M120-Y135 HydrophobicContact CB-CE2 4.25Å; M120-Y135 HydrophobicContact CE-CD1 4.33Å; M120-Y135 HydrophobicContact CE-CE1 4.36Å; M120-Y135 HydrophobicContact CG-CD2 4.31Å; M120-Y135 HydrophobicContact CG-CE2 4.1Å; M120-Y135 HydrophobicContact SD-CD1 4.46Å; M120-Y135 HydrophobicContact SD-CD2 4.33Å; M120-Y135 HydrophobicContact SD-CG 4.25Å; L123-Y135 WeakPolarHBondContact CD1-OH 3.25Å; L131-Y135 HydrophobicContact CD1-CD2 4.22Å; L131-Y135 HydrophobicContact CD1-CE1 4.32Å; L131-Y135 HydrophobicContact CD1-CE2 3.8Å; L131-Y135 HydrophobicContact CD2-CD2 4.5Å; L131-Y135 HydrophobicContact CD2-CE2 3.77Å; L131-Y135 HydrophobicContact CG-CD2 3.9Å; L131-Y135 HydrophobicContact CG-CE2 3.58Å; L131-Y135 PolarHBondContact O-N 2.97Å; F132-Y135 PolarHBondContact O-N 3.49Å; Y135-T138 PolarHBondContact O-N 3.21Å; Y135-T138 VanDerWaalsContact O-N 3.07Å; Y135-V139 PolarHBondContact O-N 3.17Å; Y135-V139 VanDerWaalsContact O-N 3.15Å
136	L	96.5	Very high	94.9	Very high	26 Å²	26	45.5 Å²	45.5	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-52.6	-45.5	-170.9	-177	65.8	0	0	0	113.8	F132 T138 V139 I140 L199 V214 I219	F132-L136 HydrophobicContact CE1-CB 4.47Å; F132-L136 HydrophobicContact CE1-CD1 4.23Å; F132-L136 HydrophobicContact CE1-CD2 4.13Å; F132-L136 HydrophobicContact CZ-CD1 4.38Å; F132-L136 WeakPolarHBondContact O-CB 3.37Å; F132-L136 PolarHBondContact O-N 3.15Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 3.39Å; L136-V139 PolarHBondContact O-N 3.13Å; L136-I140 HydrophobicContact CD1-CD1 4.2Å; L136-I140 HydrophobicContact CD1-CG1 3.83Å; L136-I140 HydrophobicContact CG-CG1 4.03Å; L136-I140 WeakPolarHBondContact O-CB 3.43Å; L136-I140 WeakPolarHBondContact O-CG1 3.44Å; L136-I140 PolarHBondContact O-N 3.22Å; L136-L199 HydrophobicContact CD1-CD1 4.23Å; L136-V214 HydrophobicContact CD2-CG1 3.98Å; L136-I219 HydrophobicContact CD1-CD1 3.89Å; L136-I219 HydrophobicContact CD1-CG1 4.14Å; L136-I219 HydrophobicContact CD2-CD1 4.21Å
137	P	96.5	Very high	94.4	Very high	84 Å²	84	42.9 Å²	42.9	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-57.3	-42.2	178.4	-26.1	35.3	0	0	0	113.5	I133 I140 Q141	I133-P137 WeakPolarHBondContact O-CD 3.49Å; P137-I140 PolarHBondContact O-N 2.6Å; P137-Q141 WeakPolarHBondContact O-CB 3.34Å; P137-Q141 PolarHBondContact O-N 3.07Å
138	T	95.9	Very high	93.2	Very high	58 Å²	58	47.6 Å²	47.6	36%	0.356	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-44	179.4	-55.9	0	0	0	0	111.3	V102 Y135 L136 Q141 G142	V102-T138 HydrophobicContact CG1-CG2 3.79Å; Y135-T138 PolarHBondContact O-N 3.21Å; Y135-T138 VanDerWaalsContact O-N 3.07Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 3.39Å; T138-Q141 PolarHBondContact O-N 2.84Å; T138-G142 PolarHBondContact O-N 3.33Å
139	V	96.4	Very high	91.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-42.5	178.2	176	0	0	0	0	111.2	M120 Y135 L136 Q141 G142 V143 W195 L199 M202	M120-V139 HydrophobicContact SD-CG2 4.2Å; Y135-V139 PolarHBondContact O-N 3.17Å; Y135-V139 VanDerWaalsContact O-N 3.15Å; L136-V139 PolarHBondContact O-N 3.13Å; V139-Q141 VanDerWaalsContact C-N 3.34Å; V139-Q141 PolarHBondContact O-N 3.38Å; V139-G142 PolarHBondContact O-N 2.96Å; V139-V143 WeakPolarHBondContact O-CG2 3.31Å; V139-V143 PolarHBondContact O-N 3.04Å; V139-W195 HydrophobicContact CG1-CE3 4.43Å; V139-W195 HydrophobicContact CG2-CE3 4.49Å; V139-W195 HydrophobicContact CG2-CZ3 4.18Å; V139-L199 HydrophobicContact CG1-CB 3.87Å; V139-L199 HydrophobicContact CG1-CD1 4.39Å; V139-M202 HydrophobicContact CB-SD 4.42Å; V139-M202 HydrophobicContact CG2-SD 3.61Å
140	I	95.8	Very high	89.3	Confident	22 Å²	22	54 Å²	54	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-46.1	174.7	-70.1	-68.7	0	0	0	110.6	L136 P137 G142 V143 I144 T218 I219 L222	L136-I140 HydrophobicContact CD1-CD1 4.2Å; L136-I140 HydrophobicContact CD1-CG1 3.83Å; L136-I140 HydrophobicContact CG-CG1 4.03Å; L136-I140 WeakPolarHBondContact O-CB 3.43Å; L136-I140 WeakPolarHBondContact O-CG1 3.44Å; L136-I140 PolarHBondContact O-N 3.22Å; P137-I140 PolarHBondContact O-N 2.6Å; I140-G142 VanDerWaalsContact C-N 3.34Å; I140-G142 PolarHBondContact O-N 3.3Å; I140-V143 PolarHBondContact O-N 3.18Å; I140-I144 HydrophobicContact CG2-CD1 3.7Å; I140-I144 HydrophobicContact CG2-CG1 4.47Å; I140-I144 VanDerWaalsContact O-CG1 3.3Å; I140-I144 WeakPolarHBondContact O-CG1 3.46Å; I140-I144 PolarHBondContact O-N 3.32Å; I140-T218 HydrophobicContact CD1-CG2 4.23Å; I140-T218 HydrophobicContact CG2-CG2 4.04Å; I140-I219 HydrophobicContact CD1-CG1 4.1Å; I140-L222 HydrophobicContact CD1-CD1 3.69Å; I140-L222 HydrophobicContact CG2-CD1 3.99Å
141	Q	94.5	Very high	86.9	Confident	108 Å²	108	56.3 Å²	56.3	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-39.8	177.4	-173.4	58.1	39.7	0	0	112.1	P137 T138 V139 I144 T145	P137-Q141 WeakPolarHBondContact O-CB 3.34Å; P137-Q141 PolarHBondContact O-N 3.07Å; T138-Q141 PolarHBondContact O-N 2.84Å; V139-Q141 VanDerWaalsContact C-N 3.34Å; V139-Q141 PolarHBondContact O-N 3.38Å; Q141-I144 PolarHBondContact O-N 3.01Å; Q141-T145 PolarHBondContact NE2-OG1 2.76Å; Q141-T145 VanDerWaalsContact NE2-OG1 3.08Å; Q141-T145 WeakPolarHBondContact O-CB 3.2Å; Q141-T145 PolarHBondContact O-N 2.87Å; Q141-T145 PolarHBondContact O-OG1 3.28Å
142	G	93.3	Very high	84.4	Confident	8 Å²	8	64.5 Å²	64.5	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-45.7	173.8	0	0	0	0	0	112.2	T138 V139 I140 N146	T138-G142 PolarHBondContact O-N 3.33Å; V139-G142 PolarHBondContact O-N 2.96Å; I140-G142 VanDerWaalsContact C-N 3.34Å; I140-G142 PolarHBondContact O-N 3.3Å; G142-N146 PolarHBondContact O-N 2.92Å; G142-N146 PolarHBondContact O-ND2 2.89Å
143	V	94.1	Very high	81.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-51.3	174.6	173.7	0	0	0	0	110.8	V139 I140 T145 N146 L147 L192 W195 M196 L222	V139-V143 WeakPolarHBondContact O-CG2 3.31Å; V139-V143 PolarHBondContact O-N 3.04Å; I140-V143 PolarHBondContact O-N 3.18Å; V143-T145 PolarHBondContact O-N 3.15Å; V143-N146 CarbonylContact O-C 3.58Å; V143-N146 PolarHBondContact O-N 3.29Å; V143-N146 VanDerWaalsContact O-N 3.15Å; V143-L147 VanDerWaalsContact O-CB 3.3Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 PolarHBondContact O-N 2.78Å; V143-L192 HydrophobicContact CG1-CD1 3.98Å; V143-W195 HydrophobicContact CG2-CB 3.87Å; V143-M196 HydrophobicContact CG1-SD 3.78Å; V143-M196 HydrophobicContact CG2-SD 3.91Å; V143-L222 HydrophobicContact CB-CD1 4.33Å; V143-L222 HydrophobicContact CG1-CB 4.1Å; V143-L222 HydrophobicContact CG1-CD1 4.04Å; V143-L222 HydrophobicContact CG1-CD2 4.42Å; V143-L222 HydrophobicContact CG1-CG 4.42Å
144	I	92.6	Very high	79.3	Confident	67 Å²	67	66.6 Å²	66.6	34%	0.344	35%	0.351	S	S	.	.	H	α-helix	trans	-57	-48.2	-178.1	-71	167.1	0	0	0	111.3	I140 Q141 N146 L147 L222	I140-I144 HydrophobicContact CG2-CD1 3.7Å; I140-I144 HydrophobicContact CG2-CG1 4.47Å; I140-I144 VanDerWaalsContact O-CG1 3.3Å; I140-I144 WeakPolarHBondContact O-CG1 3.46Å; I140-I144 PolarHBondContact O-N 3.32Å; Q141-I144 PolarHBondContact O-N 3.01Å; I144-N146 PolarHBondContact O-N 3.36Å; I144-L147 PolarHBondContact O-N 2.84Å; I144-L222 HydrophobicContact CD1-CD1 4.4Å; I144-L222 HydrophobicContact CG1-CD1 3.97Å; I144-L222 HydrophobicContact CG1-CD2 3.76Å
145	T	89.6	Confident	77.1	Confident	81 Å²	81	64.7 Å²	64.7	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-62.4	-28.8	-177.3	-53.8	0	0	0	0	112.2	Q141 V143	Q141-T145 PolarHBondContact NE2-OG1 2.76Å; Q141-T145 VanDerWaalsContact NE2-OG1 3.08Å; Q141-T145 WeakPolarHBondContact O-CB 3.2Å; Q141-T145 PolarHBondContact O-N 2.87Å; Q141-T145 PolarHBondContact O-OG1 3.28Å; V143-T145 PolarHBondContact O-N 3.15Å
146	N	87.7	Confident	75.2	Confident	20 Å²	20	67.1 Å²	67.1	11%	0.107	37%	0.372	C	S	.	.	H	α-helix	trans	-99.5	-8.9	-178.5	-71.6	-87.2	0	0	0	113.6	G142 V143 I144 W189 K190 N191 L192	G142-N146 PolarHBondContact O-N 2.92Å; G142-N146 PolarHBondContact O-ND2 2.89Å; V143-N146 CarbonylContact O-C 3.58Å; V143-N146 PolarHBondContact O-N 3.29Å; V143-N146 VanDerWaalsContact O-N 3.15Å; I144-N146 PolarHBondContact O-N 3.36Å; N146-W189 VanDerWaalsContact O-CD1 3.28Å; N146-W189 PolarHBondContact O-NE1 3.26Å; N146-K190 HydrophobicContact CB-CB 4.34Å; N146-K190 HydrophobicContact CB-CD 4.45Å; N146-K190 VanDerWaalsContact OD1-CB 3.24Å; N146-K190 WeakPolarHBondContact OD1-CB 3.44Å; N146-N191 PolarHBondContact OD1-N 3.19Å; N146-N191 VanDerWaalsContact OD1-N 3.16Å; N146-L192 HydrophobicContact CB-CB 3.87Å; N146-L192 HydrophobicContact CB-CD1 4.21Å
147	L	84.3	Confident	73.2	Confident	15 Å²	15	67.3 Å²	67.3	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-78.1	-41.7	-177.6	-173.6	65.1	0	0	0	112.5	V143 I144 L192 L222 K225	V143-L147 VanDerWaalsContact O-CB 3.3Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 PolarHBondContact O-N 2.78Å; I144-L147 PolarHBondContact O-N 2.84Å; L147-L192 HydrophobicContact CB-CD1 4.32Å; L147-L192 HydrophobicContact CD1-CD1 4.35Å; L147-L192 HydrophobicContact CD1-CD2 3.87Å; L147-L222 HydrophobicContact CD2-CD2 3.89Å; L147-K225 HydrophobicContact CD1-CB 4.25Å; L147-K225 HydrophobicContact CD2-CB 3.72Å; L147-K225 HydrophobicContact CD2-CD 3.53Å; L147-K225 HydrophobicContact CD2-CG 4.28Å; L147-K225 HydrophobicContact CG-CB 4.48Å
148	E	69.1	Low	71.1	Confident	128 Å²	128	66 Å²	66	60%	0.598	37%	0.369	S	S	*	.	S	Bend	trans	-96.2	141.7	-177.7	-66.1	179.2	179.9	0	0	111.1	N150 K190	E148-N150 PolarHBondContact O-N 3.17Å; E148-K190 PolarHBondContact O-NZ 2.95Å
149	R	58.4	Low	69.3	Low	96 Å²	96	68.7 Å²	68.7	36%	0.362	38%	0.377	S	S	.	.			trans	-72.5	118.6	162.3	-104	175.6	-171.5	178.4	9.6	106.9	T151 E157 H184 W189	R149-T151 VanDerWaalsContact C-N 3.27Å; R149-T151 PolarHBondContact O-N 3.46Å; R149-E157 WeakPolarHBondContact CA-OE1 3.44Å; R149-E157 WeakPolarHBondContact CG-OE1 3.35Å; R149-H184 PolarHBondContact NH1-NE2 3.22Å; R149-H184 PolarHBondContact NH2-CE1 3.33Å; R149-H184 PolarHBondContact NH2-ND1 2.82Å; R149-H184 PolarHBondContact NH2-NE2 3.3Å; R149-W189 HydrophobicContact CB-CZ2 4.42Å; R149-W189 HydrophobicContact CG-CH2 3.93Å; R149-W189 HydrophobicContact CG-CZ2 3.6Å; R149-W189 VanDerWaalsContact CZ-CH2 3.4Å
150	N	51.5	Low	67.5	Low	93 Å²	93	73.4 Å²	73.4	50%	0.497	40%	0.402	S	S	.	.			trans	-81.3	88.7	174.2	-165.7	-1.5	0	0	0	106.5	E148 E152 A153 E157	E148-N150 PolarHBondContact O-N 3.17Å; N150-E152 PolarHBondContact O-N 3.15Å; N150-A153 HydrophobicContact CB-CB 3.88Å; N150-A153 WeakPolarHBondContact O-CB 3.16Å; N150-A153 PolarHBondContact O-N 3.26Å; N150-E157 PolarHBondContact N-OE2 3.5Å; N150-E157 VanDerWaalsContact O-OE2 3.11Å
151	T	45.7	Very low	65.7	Low	136 Å²	136	74.1 Å²	74.1	83%	0.834	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.4	-176.6	51	0	0	0	0	113.7	R149	R149-T151 VanDerWaalsContact C-N 3.27Å; R149-T151 PolarHBondContact O-N 3.46Å
152	E	44.3	Very low	64.1	Low	177 Å²	177	73.6 Å²	73.6	83%	0.827	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-2	175.2	-60.1	-174.8	172.7	0	0	113.7	N150	N150-E152 PolarHBondContact O-N 3.15Å
153	A	43.2	Very low	62.6	Low	30 Å²	30	78.8 Å²	78.8	25%	0.248	43%	0.431	C	S	.	.	S	Bend	trans	-68.8	129.3	179.7	0	0	0	0	0	111.3	N150 V155	N150-A153 HydrophobicContact CB-CB 3.88Å; N150-A153 WeakPolarHBondContact O-CB 3.16Å; N150-A153 PolarHBondContact O-N 3.26Å; A153-V155 PolarHBondContact O-N 3.05Å
154	P	42.8	Very low	61	Low	106 Å²	106	82.3 Å²	82.3	69%	0.688	45%	0.447	S	S	*	.			trans	-70.2	120.9	-173.8	26.4	-31.2	0	0	0	110.3	S156	P154-S156 PolarHBondContact O-N 3.35Å; P154-S156 PolarHBondContact O-OG 3.19Å
155	V	49.5	Very low	59.3	Low	97 Å²	97	80.4 Å²	80.4	59%	0.588	44%	0.438	S	S	*	.	S	Bend	trans	49.4	-38.3	162.7	-165.9	0	0	0	0	117.9	A153 E157 A158 E159	A153-V155 PolarHBondContact O-N 3.05Å; V155-E157 PolarHBondContact O-N 3.22Å; V155-A158 CarbonylContact O-C 3.53Å; V155-A158 WeakPolarHBondContact O-CB 3.3Å; V155-A158 PolarHBondContact O-N 3.04Å; V155-E159 HydrophobicContact CG1-CG 3.87Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.4Å; V155-E159 WeakPolarHBondContact O-CB 3.4Å; V155-E159 WeakPolarHBondContact O-CG 3.43Å; V155-E159 PolarHBondContact O-N 2.93Å
156	S	57.3	Low	58	Low	57 Å²	57	80.2 Å²	80.2	40%	0.399	43%	0.434	S	S	.	.	H	α-helix	trans	-60.2	-38.4	-178.3	69.5	0	0	0	0	113.8	P154 A158 E159 L160	P154-S156 PolarHBondContact O-N 3.35Å; P154-S156 PolarHBondContact O-OG 3.19Å; S156-A158 VanDerWaalsContact C-N 3.34Å; S156-E159 PolarHBondContact O-N 2.93Å; S156-L160 VanDerWaalsContact O-CB 3.28Å; S156-L160 WeakPolarHBondContact O-CB 3.18Å; S156-L160 WeakPolarHBondContact O-CG 3.21Å; S156-L160 PolarHBondContact O-N 2.95Å
157	E	53.6	Low	56.8	Low	30 Å²	30	83.9 Å²	83.9	14%	0.14	45%	0.452	C	S	.	.	H	α-helix	trans	-72.8	-33.7	179.2	-159.8	169.1	179.2	0	0	111.1	R149 N150 V155 S161 K190	R149-E157 WeakPolarHBondContact CA-OE1 3.44Å; R149-E157 WeakPolarHBondContact CG-OE1 3.35Å; N150-E157 PolarHBondContact N-OE2 3.5Å; N150-E157 VanDerWaalsContact O-OE2 3.11Å; V155-E157 PolarHBondContact O-N 3.22Å; E157-S161 WeakPolarHBondContact O-CB 3.37Å; E157-S161 PolarHBondContact O-N 3.1Å; E157-S161 PolarHBondContact O-OG 2.86Å; E157-K190 WeakPolarHBondContact OE1-CE 3.3Å; E157-K190 IonicContact OE1-NZ 2.74Å; E157-K190 PolarHBondContact OE1-NZ 2.97Å; E157-K190 IonicContact OE2-NZ 3.84Å
158	A	53.1	Low	55.3	Low	57 Å²	57	85 Å²	85	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-71	-40.4	170.9	0	0	0	0	0	111.4	V155 S156 S161 L162	V155-A158 CarbonylContact O-C 3.53Å; V155-A158 WeakPolarHBondContact O-CB 3.3Å; V155-A158 PolarHBondContact O-N 3.04Å; S156-A158 VanDerWaalsContact C-N 3.34Å; A158-S161 PolarHBondContact O-N 3.27Å; A158-L162 VanDerWaalsContact O-CB 3.26Å; A158-L162 WeakPolarHBondContact O-CB 3.17Å; A158-L162 PolarHBondContact O-N 3.2Å
159	E	57.3	Low	54.6	Low	113 Å²	113	83.5 Å²	83.5	53%	0.528	46%	0.455	S	S	.	.	H	α-helix	trans	-65.3	-43.4	175.5	-80.6	172	165.1	0	0	112.1	V155 S156 L162 Q163	V155-E159 HydrophobicContact CG1-CG 3.87Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.4Å; V155-E159 WeakPolarHBondContact O-CB 3.4Å; V155-E159 WeakPolarHBondContact O-CG 3.43Å; V155-E159 PolarHBondContact O-N 2.93Å; S156-E159 PolarHBondContact O-N 2.93Å; E159-L162 CarbonylContact O-C 3.56Å; E159-L162 PolarHBondContact O-N 2.81Å; E159-Q163 VanDerWaalsContact O-CB 3.22Å; E159-Q163 WeakPolarHBondContact O-CB 3.45Å; E159-Q163 PolarHBondContact O-N 3.47Å
160	L	60.3	Low	54.5	Low	101 Å²	101	86.6 Å²	86.6	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-44.5	175	-73.7	168.1	0	0	0	110.7	S156 L162 Q163 E164	S156-L160 VanDerWaalsContact O-CB 3.28Å; S156-L160 WeakPolarHBondContact O-CB 3.18Å; S156-L160 WeakPolarHBondContact O-CG 3.21Å; S156-L160 PolarHBondContact O-N 2.95Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.45Å; L160-Q163 PolarHBondContact O-N 2.73Å; L160-E164 WeakPolarHBondContact O-CG 3.35Å; L160-E164 PolarHBondContact O-N 3.11Å
161	S	57.6	Low	54.6	Low	37 Å²	37	89.1 Å²	89.1	26%	0.259	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-38.8	174.2	-59.3	0	0	0	0	111.8	E157 A158 L165	E157-S161 WeakPolarHBondContact O-CB 3.37Å; E157-S161 PolarHBondContact O-N 3.1Å; E157-S161 PolarHBondContact O-OG 2.86Å; A158-S161 PolarHBondContact O-N 3.27Å; S161-L165 WeakPolarHBondContact O-CB 3.27Å; S161-L165 PolarHBondContact O-N 3.29Å
162	L	59.7	Low	54.9	Low	96 Å²	96	86.3 Å²	86.3	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-68.6	-35.9	174.4	-107.2	136.2	0	0	0	111.9	A158 E159 L160 L165 N166	A158-L162 VanDerWaalsContact O-CB 3.26Å; A158-L162 WeakPolarHBondContact O-CB 3.17Å; A158-L162 PolarHBondContact O-N 3.2Å; E159-L162 CarbonylContact O-C 3.56Å; E159-L162 PolarHBondContact O-N 2.81Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.45Å; L162-L165 CarbonylContact O-C 3.58Å; L162-L165 PolarHBondContact O-N 3.3Å; L162-N166 WeakPolarHBondContact O-CB 3.33Å; L162-N166 PolarHBondContact O-N 3.38Å; L162-N166 PolarHBondContact O-ND2 2.99Å; L162-N166 PolarHBondContact O-OD1 3.13Å
163	Q	62.9	Low	55.1	Low	117 Å²	117	84 Å²	84	55%	0.547	47%	0.466	S	S	.	.	H	α-helix	trans	-69.7	-44.6	178.9	-166.3	172.3	12.6	0	0	110.1	E159 L160 N166 I167	E159-Q163 VanDerWaalsContact O-CB 3.22Å; E159-Q163 WeakPolarHBondContact O-CB 3.45Å; E159-Q163 PolarHBondContact O-N 3.47Å; L160-Q163 PolarHBondContact O-N 2.73Å; Q163-N166 PolarHBondContact O-N 2.93Å; Q163-I167 HydrophobicContact CG-CD1 4.41Å; Q163-I167 VanDerWaalsContact O-CG1 3.23Å; Q163-I167 WeakPolarHBondContact O-CG1 3.27Å; Q163-I167 PolarHBondContact O-N 3.48Å
164	E	60.7	Low	55.5	Low	74 Å²	74	89.2 Å²	89.2	35%	0.346	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-42.5	170.5	-72	-177	167.6	0	0	111.8	L160 N166 I167 A168 F183	L160-E164 WeakPolarHBondContact O-CG 3.35Å; L160-E164 PolarHBondContact O-N 3.11Å; E164-N166 VanDerWaalsContact C-N 3.32Å; E164-N166 PolarHBondContact O-N 2.9Å; E164-I167 PolarHBondContact O-N 3.4Å; E164-A168 WeakPolarHBondContact O-CB 3.17Å; E164-A168 PolarHBondContact O-N 3.37Å; E164-F183 HydrophobicContact CB-CZ 4.26Å
165	L	57.5	Low	55.7	Low	28 Å²	28	88.1 Å²	88.1	15%	0.147	48%	0.478	C	S	.	.	H	α-helix	trans	-65.4	-35.1	176.1	-165.3	105.6	0	0	0	111.8	S161 L162 A168 K169 F183	S161-L165 WeakPolarHBondContact O-CB 3.27Å; S161-L165 PolarHBondContact O-N 3.29Å; L162-L165 CarbonylContact O-C 3.58Å; L162-L165 PolarHBondContact O-N 3.3Å; L165-A168 PolarHBondContact O-N 3.1Å; L165-K169 HydrophobicContact CD2-CD 4.09Å; L165-K169 VanDerWaalsContact O-CB 3.28Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 VanDerWaalsContact O-CG 3.25Å; L165-K169 WeakPolarHBondContact O-CG 3.38Å; L165-K169 PolarHBondContact O-N 3.18Å; L165-F183 HydrophobicContact CB-CE1 4.18Å; L165-F183 HydrophobicContact CB-CE2 4.34Å; L165-F183 HydrophobicContact CB-CZ 3.86Å; L165-F183 HydrophobicContact CD1-CB 4.47Å; L165-F183 HydrophobicContact CD1-CD1 3.66Å; L165-F183 HydrophobicContact CD1-CD2 3.79Å; L165-F183 HydrophobicContact CD1-CE1 3.73Å; L165-F183 HydrophobicContact CD1-CE2 3.85Å; L165-F183 HydrophobicContact CD1-CG 3.7Å; L165-F183 HydrophobicContact CD1-CZ 3.82Å; L165-F183 HydrophobicContact CG-CE2 4.39Å; L165-F183 HydrophobicContact CG-CZ 4.31Å
166	N	62.2	Low	55.8	Low	77 Å²	77	86.9 Å²	86.9	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-71	-44	176.6	-74.4	-21.3	0	0	0	111	L162 Q163 E164 A168 K169 E170	L162-N166 WeakPolarHBondContact O-CB 3.33Å; L162-N166 PolarHBondContact O-N 3.38Å; L162-N166 PolarHBondContact O-ND2 2.99Å; L162-N166 PolarHBondContact O-OD1 3.13Å; Q163-N166 PolarHBondContact O-N 2.93Å; E164-N166 VanDerWaalsContact C-N 3.32Å; E164-N166 PolarHBondContact O-N 2.9Å; N166-A168 VanDerWaalsContact C-N 3.25Å; N166-A168 PolarHBondContact O-N 3.25Å; N166-K169 PolarHBondContact O-N 3.42Å; N166-K169 VanDerWaalsContact O-N 3.13Å; N166-E170 WeakPolarHBondContact O-CG 3.46Å; N166-E170 PolarHBondContact O-N 3.31Å
167	I	61.5	Low	55.1	Low	96 Å²	96	89.2 Å²	89.2	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-58	-41.8	172.6	-68	164	0	0	0	110.1	Q163 E164 H171	Q163-I167 HydrophobicContact CG-CD1 4.41Å; Q163-I167 VanDerWaalsContact O-CG1 3.23Å; Q163-I167 WeakPolarHBondContact O-CG1 3.27Å; Q163-I167 PolarHBondContact O-N 3.48Å; E164-I167 PolarHBondContact O-N 3.4Å; I167-H171 PolarHBondContact O-ND1 2.84Å
168	A	53.8	Low	55	Low	40 Å²	40	91 Å²	91	33%	0.331	51%	0.506	S	S	.	.	H	α-helix	trans	-68.9	-39.1	175.3	0	0	0	0	0	113	E164 L165 N166 E170 H171 S172 F183	E164-A168 WeakPolarHBondContact O-CB 3.17Å; E164-A168 PolarHBondContact O-N 3.37Å; L165-A168 PolarHBondContact O-N 3.1Å; N166-A168 VanDerWaalsContact C-N 3.25Å; N166-A168 PolarHBondContact O-N 3.25Å; A168-E170 VanDerWaalsContact C-N 3.34Å; A168-H171 CarbonylContact O-C 3.26Å; A168-H171 PolarHBondContact O-N 3.44Å; A168-H171 VanDerWaalsContact O-N 3.07Å; A168-S172 PolarHBondContact O-N 3.09Å; A168-S172 VanDerWaalsContact O-N 3.13Å; A168-F183 HydrophobicContact CB-CE2 3.82Å
169	K	53	Low	54.7	Low	96 Å²	96	89.1 Å²	89.1	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-66.6	-32.8	176.7	-84.5	176.9	174.8	177.5	0	112.9	L165 N166 H171 S172	L165-K169 HydrophobicContact CD2-CD 4.09Å; L165-K169 VanDerWaalsContact O-CB 3.28Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 VanDerWaalsContact O-CG 3.25Å; L165-K169 WeakPolarHBondContact O-CG 3.38Å; L165-K169 PolarHBondContact O-N 3.18Å; N166-K169 PolarHBondContact O-N 3.42Å; N166-K169 VanDerWaalsContact O-N 3.13Å; K169-H171 PolarHBondContact O-N 3.48Å; K169-S172 CarbonylContact O-C 3.52Å; K169-S172 PolarHBondContact O-N 3.13Å
170	E	56	Low	54.1	Low	160 Å²	160	88.2 Å²	88.2	75%	0.748	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.4	171.8	-76.5	179.6	172.8	0	0	112.2	N166 A168	N166-E170 WeakPolarHBondContact O-CG 3.46Å; N166-E170 PolarHBondContact O-N 3.31Å; A168-E170 VanDerWaalsContact C-N 3.34Å
171	H	55.1	Low	53.6	Low	147 Å²	147	87.2 Å²	87.2	68%	0.681	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-7.5	179.6	-66.4	65.9	0	0	0	113.6	I167 A168 K169	I167-H171 PolarHBondContact O-ND1 2.84Å; A168-H171 CarbonylContact O-C 3.26Å; A168-H171 PolarHBondContact O-N 3.44Å; A168-H171 VanDerWaalsContact O-N 3.07Å; K169-H171 PolarHBondContact O-N 3.48Å
172	S	50.8	Low	53.4	Low	77 Å²	77	89.9 Å²	89.9	54%	0.538	50%	0.499	S	S	.	.			trans	-165.8	122.5	178.1	-79.1	0	0	0	0	112.8	A168 K169	A168-S172 PolarHBondContact O-N 3.09Å; A168-S172 VanDerWaalsContact O-N 3.13Å; K169-S172 CarbonylContact O-C 3.52Å; K169-S172 PolarHBondContact O-N 3.13Å
173	T	48.1	Very low	53	Low	127 Å²	127	86 Å²	86	78%	0.779	48%	0.479	S	S	*	.			trans	-90.8	6	-161.8	43.5	0	0	0	0	118
174	N	51.8	Low	52.7	Low	141 Å²	141	82.7 Å²	82.7	75%	0.754	46%	0.463	S	S	*	.			trans	-135.4	83.9	-169.6	-67.3	-32.6	0	0	0	114.5
175	L	48.5	Very low	52.4	Low	82 Å²	82	80.7 Å²	80.7	43%	0.429	45%	0.454	S	S	.	.			trans	-118.8	127.5	173.4	-85	89.9	0	0	0	112.5	F183	L175-F183 HydrophobicContact CD2-CB 4.48Å; L175-F183 HydrophobicContact CD2-CD2 4.44Å
176	S	50	Low	52.5	Low	71 Å²	71	81.3 Å²	81.3	50%	0.497	46%	0.46	S	S	.	.			trans	-97.7	-177.8	174.9	79.2	0	0	0	0	112.2	S178 S179	S176-S178 PolarHBondContact O-N 3.16Å; S176-S178 PolarHBondContact OG-OG 3.24Å; S176-S178 VanDerWaalsContact OG-OG 3.1Å; S176-S179 PolarHBondContact N-OG 3.47Å; S176-S179 WeakPolarHBondContact O-CA 3.47Å; S176-S179 WeakPolarHBondContact O-CB 3.11Å; S176-S179 PolarHBondContact O-N 2.97Å; S176-S179 PolarHBondContact O-OG 3.42Å; S176-S179 PolarHBondContact OG-OG 3.44Å
177	S	44.5	Very low	52.4	Low	107 Å²	107	78.4 Å²	78.4	75%	0.748	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28.9	179	55.9	0	0	0	0	114.5	S179 L180	S177-S179 PolarHBondContact O-N 3.27Å; S177-L180 PolarHBondContact O-N 3.02Å
178	S	50.5	Low	52.4	Low	66 Å²	66	75.4 Å²	75.4	46%	0.462	44%	0.439	S	S	.	.	H	α-helix	trans	-63.9	-28.6	168.4	70.8	0	0	0	0	111.3	S176 L180 S181 I182	S176-S178 PolarHBondContact O-N 3.16Å; S176-S178 PolarHBondContact OG-OG 3.24Å; S176-S178 VanDerWaalsContact OG-OG 3.1Å; S178-L180 PolarHBondContact O-N 3.34Å; S178-S181 PolarHBondContact O-N 3.04Å; S178-S181 PolarHBondContact O-OG 3.29Å; S178-I182 PolarHBondContact O-N 2.8Å
179	S	47	Very low	53.1	Low	19 Å²	19	74.4 Å²	74.4	13%	0.133	43%	0.427	C	S	.	.	H	α-helix	trans	-71.2	-16.1	-179.4	-40.4	0	0	0	0	112.8	S176 S177 F183	S176-S179 PolarHBondContact N-OG 3.47Å; S176-S179 WeakPolarHBondContact O-CA 3.47Å; S176-S179 WeakPolarHBondContact O-CB 3.11Å; S176-S179 PolarHBondContact O-N 2.97Å; S176-S179 PolarHBondContact O-OG 3.42Å; S176-S179 PolarHBondContact OG-OG 3.44Å; S177-S179 PolarHBondContact O-N 3.27Å; S179-F183 WeakPolarHBondContact O-CA 3.49Å; S179-F183 WeakPolarHBondContact O-CB 3.27Å; S179-F183 PolarHBondContact O-N 3.41Å
180	L	44.1	Very low	54.3	Low	94 Å²	94	73 Å²	73	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-68.6	-41	169.3	-94.2	137.5	0	0	0	112.2	S177 S178 F183 H184	S177-L180 PolarHBondContact O-N 3.02Å; S178-L180 PolarHBondContact O-N 3.34Å; L180-F183 PolarHBondContact O-N 3.14Å; L180-H184 PolarHBondContact O-CD2 2.87Å; L180-H184 VanDerWaalsContact O-CD2 3.29Å; L180-H184 VanDerWaalsContact O-CG 3.31Å; L180-H184 PolarHBondContact O-N 3.39Å
181	S	50.7	Low	55.8	Low	80 Å²	80	67.3 Å²	67.3	56%	0.559	40%	0.395	S	S	*	.	H	α-helix	trans	-66.8	-42	176.2	69.9	0	0	0	0	111.4	S178 H184 D185	S178-S181 PolarHBondContact O-N 3.04Å; S178-S181 PolarHBondContact O-OG 3.29Å; S181-H184 PolarHBondContact O-N 3.43Å; S181-D185 PolarHBondContact O-N 2.96Å
182	I	52.9	Low	57.5	Low	92 Å²	92	60.3 Å²	60.3	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-44.7	173.9	-61.1	171.4	0	0	0	109.6	S178 H184 D185 T186	S178-I182 PolarHBondContact O-N 2.8Å; I182-H184 VanDerWaalsContact C-N 3.34Å; I182-H184 PolarHBondContact O-N 2.89Å; I182-D185 CarbonylContact O-C 3.53Å; I182-D185 WeakPolarHBondContact O-CA 3.19Å; I182-D185 WeakPolarHBondContact O-CB 3.35Å; I182-D185 PolarHBondContact O-N 3.04Å; I182-T186 HydrophobicContact CG2-CG2 4.08Å; I182-T186 WeakPolarHBondContact O-CB 3.45Å; I182-T186 VanDerWaalsContact O-CG2 3.3Å; I182-T186 WeakPolarHBondContact O-CG2 3.47Å; I182-T186 PolarHBondContact O-N 3.18Å; I182-T186 PolarHBondContact O-OG1 3.39Å; I182-T186 VanDerWaalsContact O-OG1 3.05Å
183	F	52	Low	59.4	Low	15 Å²	15	58.5 Å²	58.5	7%	0.066	35%	0.346	C	S	.	.	H	α-helix	trans	-60.2	-42	178.8	-175.3	-96.7	0	0	0	112.1	E164 L165 A168 L175 S179 L180 D185 T186 A187	E164-F183 HydrophobicContact CB-CZ 4.26Å; L165-F183 HydrophobicContact CB-CE1 4.18Å; L165-F183 HydrophobicContact CB-CE2 4.34Å; L165-F183 HydrophobicContact CB-CZ 3.86Å; L165-F183 HydrophobicContact CD1-CB 4.47Å; L165-F183 HydrophobicContact CD1-CD1 3.66Å; L165-F183 HydrophobicContact CD1-CD2 3.79Å; L165-F183 HydrophobicContact CD1-CE1 3.73Å; L165-F183 HydrophobicContact CD1-CE2 3.85Å; L165-F183 HydrophobicContact CD1-CG 3.7Å; L165-F183 HydrophobicContact CD1-CZ 3.82Å; L165-F183 HydrophobicContact CG-CE2 4.39Å; L165-F183 HydrophobicContact CG-CZ 4.31Å; A168-F183 HydrophobicContact CB-CE2 3.82Å; L175-F183 HydrophobicContact CD2-CB 4.48Å; L175-F183 HydrophobicContact CD2-CD2 4.44Å; S179-F183 WeakPolarHBondContact O-CA 3.49Å; S179-F183 WeakPolarHBondContact O-CB 3.27Å; S179-F183 PolarHBondContact O-N 3.41Å; L180-F183 PolarHBondContact O-N 3.14Å; F183-D185 PolarHBondContact O-N 2.84Å; F183-T186 CarbonylContact O-C 3.34Å; F183-T186 PolarHBondContact O-N 2.95Å; F183-T186 VanDerWaalsContact O-N 3.1Å; F183-A187 HydrophobicContact CD1-CB 4.09Å; F183-A187 HydrophobicContact CD2-CB 4.33Å; F183-A187 HydrophobicContact CE1-CB 3.68Å; F183-A187 HydrophobicContact CE2-CB 3.95Å; F183-A187 HydrophobicContact CG-CB 4.39Å; F183-A187 HydrophobicContact CZ-CB 3.59Å; F183-A187 VanDerWaalsContact O-CB 3.28Å; F183-A187 WeakPolarHBondContact O-CB 3.3Å; F183-A187 PolarHBondContact O-N 3.38Å
184	H	55.8	Low	61.5	Low	48 Å²	48	52.9 Å²	52.9	22%	0.222	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-26.1	175.6	-69.7	-29.5	0	0	0	113.7	R149 L180 S181 I182 N231	R149-H184 PolarHBondContact NH1-NE2 3.22Å; R149-H184 PolarHBondContact NH2-CE1 3.33Å; R149-H184 PolarHBondContact NH2-ND1 2.82Å; R149-H184 PolarHBondContact NH2-NE2 3.3Å; L180-H184 PolarHBondContact O-CD2 2.87Å; L180-H184 VanDerWaalsContact O-CD2 3.29Å; L180-H184 VanDerWaalsContact O-CG 3.31Å; L180-H184 PolarHBondContact O-N 3.39Å; S181-H184 PolarHBondContact O-N 3.43Å; I182-H184 VanDerWaalsContact C-N 3.34Å; I182-H184 PolarHBondContact O-N 2.89Å; H184-N231 PolarHBondContact O-ND2 3.48Å
185	D	55.5	Low	63.6	Low	31 Å²	31	46.8 Å²	46.8	17%	0.166	28%	0.278	C	S	.	.	H	α-helix	trans	-81.7	-21.1	172.9	-153	8.3	0	0	0	112	S181 I182 F183 R232 R235 W277	S181-D185 PolarHBondContact O-N 2.96Å; I182-D185 CarbonylContact O-C 3.53Å; I182-D185 WeakPolarHBondContact O-CA 3.19Å; I182-D185 WeakPolarHBondContact O-CB 3.35Å; I182-D185 PolarHBondContact O-N 3.04Å; F183-D185 PolarHBondContact O-N 2.84Å; D185-R232 WeakPolarHBondContact O-CD 3.1Å; D185-R232 WeakPolarHBondContact O-CG 3.35Å; D185-R232 PolarHBondContact O-N 3.38Å; D185-R232 PolarHBondContact O-NE 3.13Å; D185-R232 WeakPolarHBondContact OD1-CB 3.29Å; D185-R232 PolarHBondContact OD1-N 3.46Å; D185-R235 IonicContact OD1-NH1 3.52Å; D185-R235 PolarHBondContact OD1-NH1 3.44Å; D185-R235 IonicContact OD1-NH2 2.67Å; D185-W277 PolarHBondContact OD2-NE1 3.28Å
186	T	58.5	Low	65.9	Low	42 Å²	42	43 Å²	43	26%	0.258	26%	0.258	S	S	.	.	H	α-helix	trans	-121.9	0.1	-171.2	70.2	0	0	0	0	117.2	I182 F183 F233 W277	I182-T186 HydrophobicContact CG2-CG2 4.08Å; I182-T186 WeakPolarHBondContact O-CB 3.45Å; I182-T186 VanDerWaalsContact O-CG2 3.3Å; I182-T186 WeakPolarHBondContact O-CG2 3.47Å; I182-T186 PolarHBondContact O-N 3.18Å; I182-T186 PolarHBondContact O-OG1 3.39Å; I182-T186 VanDerWaalsContact O-OG1 3.05Å; F183-T186 CarbonylContact O-C 3.34Å; F183-T186 PolarHBondContact O-N 2.95Å; F183-T186 VanDerWaalsContact O-N 3.1Å; T186-F233 WeakPolarHBondContact O-CE2 3.34Å; T186-W277 HydrophobicContact CG2-CH2 4.24Å; T186-W277 HydrophobicContact CG2-CZ2 4.22Å
187	A	60.4	Low	68.1	Low	15 Å²	15	43.2 Å²	43.2	12%	0.124	25%	0.25	C	C	.	.	S	Bend	trans	-96.4	162.9	171	0	0	0	0	0	110.5	F183 N231	F183-A187 HydrophobicContact CD1-CB 4.09Å; F183-A187 HydrophobicContact CD2-CB 4.33Å; F183-A187 HydrophobicContact CE1-CB 3.68Å; F183-A187 HydrophobicContact CE2-CB 3.95Å; F183-A187 HydrophobicContact CG-CB 4.39Å; F183-A187 HydrophobicContact CZ-CB 3.59Å; F183-A187 VanDerWaalsContact O-CB 3.28Å; F183-A187 WeakPolarHBondContact O-CB 3.3Å; F183-A187 PolarHBondContact O-N 3.38Å; A187-N231 PolarHBondContact O-ND2 2.83Å
188	G	61	Low	70.6	Confident	33 Å²	33	38.1 Å²	38.1	34%	0.34	21%	0.214	S	C	.	.			trans	-63.9	158	170.9	0	0	0	0	0	111.2
189	W	68.6	Low	72.8	Confident	20 Å²	20	35 Å²	35	8%	0.076	19%	0.193	C	C	.	.			trans	-115.7	95.8	176.8	-166.5	-87.1	0	0	0	112.3	N146 R149 N191 L192 H229 V230 N231 V234	N146-W189 VanDerWaalsContact O-CD1 3.28Å; N146-W189 PolarHBondContact O-NE1 3.26Å; R149-W189 HydrophobicContact CB-CZ2 4.42Å; R149-W189 HydrophobicContact CG-CH2 3.93Å; R149-W189 HydrophobicContact CG-CZ2 3.6Å; R149-W189 VanDerWaalsContact CZ-CH2 3.4Å; W189-N191 PolarHBondContact O-N 2.6Å; W189-L192 VanDerWaalsContact O-CB 3.29Å; W189-L192 WeakPolarHBondContact O-CB 3.26Å; W189-L192 PolarHBondContact O-N 2.89Å; W189-H229 AromaticContact CD2-CE1 3.43Å; W189-H229 VanDerWaalsContact CD2-CE1 3.43Å; W189-H229 AromaticContact CD2-NE2 3.91Å; W189-H229 AromaticContact CE2-CE1 3.51Å; W189-H229 AromaticContact CE2-NE2 3.48Å; W189-H229 AromaticContact CE3-CE1 3.73Å; W189-H229 AromaticContact CG-CE1 3.75Å; W189-H229 AromaticContact CZ2-CE1 3.83Å; W189-H229 AromaticContact CZ2-NE2 3.63Å; W189-H229 AromaticContact NE1-CE1 3.91Å; W189-H229 AromaticContact NE1-NE2 3.66Å; W189-V230 HydrophobicContact CH2-CG2 4.08Å; W189-V230 HydrophobicContact CZ3-CG2 4.04Å; W189-N231 HydrophobicContact CE3-CB 4.4Å; W189-V234 HydrophobicContact CB-CG2 3.73Å; W189-V234 HydrophobicContact CG-CG2 4.46Å
190	K	78.8	Confident	75.3	Confident	65 Å²	65	36 Å²	36	28%	0.283	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-133.8	-177.4	-56.1	178.3	175.2	179.2	0	110.3	N146 E148 E157	N146-K190 HydrophobicContact CB-CB 4.34Å; N146-K190 HydrophobicContact CB-CD 4.45Å; N146-K190 VanDerWaalsContact OD1-CB 3.24Å; N146-K190 WeakPolarHBondContact OD1-CB 3.44Å; E148-K190 PolarHBondContact O-NZ 2.95Å; E157-K190 WeakPolarHBondContact OE1-CE 3.3Å; E157-K190 IonicContact OE1-NZ 2.74Å; E157-K190 PolarHBondContact OE1-NZ 2.97Å; E157-K190 IonicContact OE2-NZ 3.84Å
191	N	86.9	Confident	77.8	Confident	42 Å²	42	34 Å²	34	23%	0.225	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	12.8	173.5	-62.1	-15.8	0	0	0	112.3	R113 N146 W189 E193 T194 W195	R113-N191 VanDerWaalsContact NE-CG 3.34Å; R113-N191 PolarHBondContact NE-OD1 3.25Å; R113-N191 PolarHBondContact NH2-OD1 3.44Å; N146-N191 PolarHBondContact OD1-N 3.19Å; N146-N191 VanDerWaalsContact OD1-N 3.16Å; W189-N191 PolarHBondContact O-N 2.6Å; N191-E193 PolarHBondContact O-N 3.49Å; N191-T194 PolarHBondContact O-N 2.96Å; N191-T194 VanDerWaalsContact O-N 3.16Å; N191-T194 PolarHBondContact O-OG1 3.48Å; N191-W195 VanDerWaalsContact O-CD1 3.27Å; N191-W195 PolarHBondContact O-N 3.27Å
192	L	90.8	Very high	80.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-46.9	-171.5	-178.2	58	0	0	0	111.8	V143 N146 L147 W189 T194 W195 M196 V234	V143-L192 HydrophobicContact CG1-CD1 3.98Å; N146-L192 HydrophobicContact CB-CB 3.87Å; N146-L192 HydrophobicContact CB-CD1 4.21Å; L147-L192 HydrophobicContact CB-CD1 4.32Å; L147-L192 HydrophobicContact CD1-CD1 4.35Å; L147-L192 HydrophobicContact CD1-CD2 3.87Å; W189-L192 VanDerWaalsContact O-CB 3.29Å; W189-L192 WeakPolarHBondContact O-CB 3.26Å; W189-L192 PolarHBondContact O-N 2.89Å; L192-T194 VanDerWaalsContact C-N 3.28Å; L192-T194 PolarHBondContact O-N 3.19Å; L192-W195 PolarHBondContact O-N 2.85Å; L192-M196 HydrophobicContact CD1-CG 4.12Å; L192-M196 HydrophobicContact CG-CG 4.34Å; L192-M196 WeakPolarHBondContact O-CB 3.29Å; L192-M196 VanDerWaalsContact O-CG 3.29Å; L192-M196 WeakPolarHBondContact O-CG 3.46Å; L192-M196 PolarHBondContact O-N 3.17Å; L192-V234 HydrophobicContact CD2-CB 4.39Å; L192-V234 HydrophobicContact CD2-CG1 3.49Å; L192-V234 VanDerWaalsContact CD2-CG1 3.49Å; L192-V234 HydrophobicContact CD2-CG2 3.91Å; L192-V234 HydrophobicContact CG-CG1 4.22Å
193	E	90.7	Very high	82.2	Confident	39 Å²	39	25.9 Å²	25.9	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-40.4	179	-67.2	177.7	-119.3	0	0	111.8	N191 M196 K197 V234	N191-E193 PolarHBondContact O-N 3.49Å; E193-M196 PolarHBondContact O-N 3.31Å; E193-K197 WeakPolarHBondContact O-CB 3.48Å; E193-K197 WeakPolarHBondContact O-CG 3.26Å; E193-K197 PolarHBondContact O-N 3.41Å; E193-V234 HydrophobicContact CG-CG2 4.12Å
194	T	93.4	Very high	84.3	Confident	8 Å²	8	26.8 Å²	26.8	5%	0.049	14%	0.142	C	C	.	.	H	α-helix	trans	-70.2	-36	179.5	52.9	0	0	0	0	112.3	F110 R113 I114 N191 L192 K197 C198	F110-T194 HydrophobicContact CB-CG2 4.35Å; R113-T194 HydrophobicContact CB-CG2 3.94Å; R113-T194 PolarHBondContact NE-OG1 3.37Å; R113-T194 VanDerWaalsContact NE-OG1 3.1Å; I114-T194 HydrophobicContact CD1-CG2 3.79Å; I114-T194 HydrophobicContact CG1-CG2 4.02Å; N191-T194 PolarHBondContact O-N 2.96Å; N191-T194 VanDerWaalsContact O-N 3.16Å; N191-T194 PolarHBondContact O-OG1 3.48Å; L192-T194 VanDerWaalsContact C-N 3.28Å; L192-T194 PolarHBondContact O-N 3.19Å; T194-K197 PolarHBondContact O-N 3Å; T194-C198 PolarHBondContact O-N 3.27Å
195	W	95.9	Very high	86.3	Confident	14 Å²	14	25.1 Å²	25.1	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-69.5	-40.3	173.5	-79.4	117.3	0	0	0	112.6	H105 V139 V143 N191 L192 K197 C198 L199	H105-W195 HydrophobicContact CB-CH2 3.29Å; H105-W195 HydrophobicContact CB-CZ2 3.38Å; H105-W195 HydrophobicContact CB-CZ3 3.96Å; H105-W195 AromaticContact CD2-CH2 3.82Å; H105-W195 AromaticContact CD2-CZ3 3.72Å; H105-W195 AromaticContact CG-CH2 3.48Å; H105-W195 VanDerWaalsContact CG-CH2 3.48Å; H105-W195 AromaticContact CG-CZ2 3.95Å; H105-W195 AromaticContact CG-CZ3 3.61Å; H105-W195 AromaticContact ND1-CZ3 3.97Å; V139-W195 HydrophobicContact CG1-CE3 4.43Å; V139-W195 HydrophobicContact CG2-CE3 4.49Å; V139-W195 HydrophobicContact CG2-CZ3 4.18Å; V143-W195 HydrophobicContact CG2-CB 3.87Å; N191-W195 VanDerWaalsContact O-CD1 3.27Å; N191-W195 PolarHBondContact O-N 3.27Å; L192-W195 PolarHBondContact O-N 2.85Å; W195-K197 VanDerWaalsContact C-N 3.34Å; W195-C198 HydrophobicContact CE3-CB 4.46Å; W195-C198 WeakPolarHBondContact O-CB 3.24Å; W195-C198 PolarHBondContact O-N 2.96Å; W195-L199 PolarHBondContact O-N 3.01Å
196	M	96.2	Very high	88.2	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-41.9	173.7	-70.9	-62.7	-66.3	0	0	111.1	V143 L192 E193 L199 Q200 A226 T237 V241	V143-M196 HydrophobicContact CG1-SD 3.78Å; V143-M196 HydrophobicContact CG2-SD 3.91Å; L192-M196 HydrophobicContact CD1-CG 4.12Å; L192-M196 HydrophobicContact CG-CG 4.34Å; L192-M196 WeakPolarHBondContact O-CB 3.29Å; L192-M196 VanDerWaalsContact O-CG 3.29Å; L192-M196 WeakPolarHBondContact O-CG 3.46Å; L192-M196 PolarHBondContact O-N 3.17Å; E193-M196 PolarHBondContact O-N 3.31Å; M196-L199 WeakPolarHBondContact O-CB 3.14Å; M196-L199 PolarHBondContact O-N 2.93Å; M196-Q200 PolarHBondContact O-N 3.3Å; M196-A226 HydrophobicContact CE-CB 3.71Å; M196-A226 HydrophobicContact SD-CB 4.27Å; M196-T237 HydrophobicContact CB-CG2 3.77Å; M196-V241 HydrophobicContact CB-CG2 4.11Å; M196-V241 HydrophobicContact CE-CB 4.16Å; M196-V241 HydrophobicContact CE-CG1 3.99Å; M196-V241 HydrophobicContact CE-CG2 4.02Å; M196-V241 WeakPolarHBondContact O-CG2 3.22Å
197	K	95.9	Very high	89.9	Confident	77 Å²	77	24.2 Å²	24.2	34%	0.335	13%	0.132	S	C	.	.	H	α-helix	trans	-65.6	-36	173.5	-75.5	176.8	178.2	173.9	0	112.7	I114 E193 T194 W195 Q200 E201 T237	I114-K197 HydrophobicContact CD1-CB 4Å; I114-K197 HydrophobicContact CD1-CD 3.37Å; I114-K197 HydrophobicContact CD1-CG 4.31Å; E193-K197 WeakPolarHBondContact O-CB 3.48Å; E193-K197 WeakPolarHBondContact O-CG 3.26Å; E193-K197 PolarHBondContact O-N 3.41Å; T194-K197 PolarHBondContact O-N 3Å; W195-K197 VanDerWaalsContact C-N 3.34Å; K197-Q200 WeakPolarHBondContact O-CB 3.42Å; K197-Q200 PolarHBondContact O-N 2.97Å; K197-E201 WeakPolarHBondContact O-CG 3.27Å; K197-E201 PolarHBondContact O-N 2.95Å; K197-T237 HydrophobicContact CG-CG2 3.93Å
198	C	97.3	Very high	91.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-48.1	170.8	-179.2	0	0	0	0	111.6	H105 T194 W195 Q200 E201 M202	H105-C198 VanDerWaalsContact CE1-SG 3.57Å; H105-C198 PolarHBondContact NE2-SG 3.27Å; H105-C198 VanDerWaalsContact NE2-SG 3.39Å; T194-C198 PolarHBondContact O-N 3.27Å; W195-C198 HydrophobicContact CE3-CB 4.46Å; W195-C198 WeakPolarHBondContact O-CB 3.24Å; W195-C198 PolarHBondContact O-N 2.96Å; C198-Q200 VanDerWaalsContact C-N 3.3Å; C198-Q200 PolarHBondContact O-N 3.24Å; C198-E201 PolarHBondContact O-N 2.99Å; C198-E201 VanDerWaalsContact O-N 3.17Å; C198-M202 WeakPolarHBondContact O-CG 3.14Å; C198-M202 PolarHBondContact O-N 3.45Å
199	L	97.3	Very high	93	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-42.8	174.5	179.3	60.2	0	0	0	111.7	L136 V139 W195 M196 M202 V203 I219 M245	L136-L199 HydrophobicContact CD1-CD1 4.23Å; V139-L199 HydrophobicContact CG1-CB 3.87Å; V139-L199 HydrophobicContact CG1-CD1 4.39Å; W195-L199 PolarHBondContact O-N 3.01Å; M196-L199 WeakPolarHBondContact O-CB 3.14Å; M196-L199 PolarHBondContact O-N 2.93Å; L199-M202 PolarHBondContact O-N 2.94Å; L199-V203 HydrophobicContact CD1-CG2 4.18Å; L199-V203 VanDerWaalsContact O-CG2 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.39Å; L199-V203 PolarHBondContact O-N 3.49Å; L199-I219 HydrophobicContact CD2-CG2 4.3Å; L199-M245 HydrophobicContact CD1-CE 4.4Å; L199-M245 HydrophobicContact CD2-CE 3.56Å; L199-M245 HydrophobicContact CG-CE 3.74Å
200	Q	97.8	Very high	94.3	Very high	38 Å²	38	30.5 Å²	30.5	18%	0.178	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-45.8	175.4	-169.6	-179.4	18.4	0	0	112	M196 K197 C198 V203 S204 D240 V241 T244	M196-Q200 PolarHBondContact O-N 3.3Å; K197-Q200 WeakPolarHBondContact O-CB 3.42Å; K197-Q200 PolarHBondContact O-N 2.97Å; C198-Q200 VanDerWaalsContact C-N 3.3Å; C198-Q200 PolarHBondContact O-N 3.24Å; Q200-V203 PolarHBondContact O-N 3.3Å; Q200-S204 VanDerWaalsContact O-CB 3.24Å; Q200-S204 WeakPolarHBondContact O-CB 3.47Å; Q200-S204 PolarHBondContact O-N 2.91Å; Q200-S204 PolarHBondContact O-OG 3.1Å; Q200-D240 PolarHBondContact NE2-O 3.24Å; Q200-D240 VanDerWaalsContact NE2-O 3.17Å; Q200-V241 HydrophobicContact CB-CG2 3.92Å; Q200-V241 HydrophobicContact CG-CG2 4.41Å; Q200-T244 HydrophobicContact CG-CG2 3.99Å; Q200-T244 WeakPolarHBondContact CG-OG1 3.26Å; Q200-T244 PolarHBondContact NE2-OG1 3.23Å
201	E	97.9	Very high	95	Very high	54 Å²	54	27.4 Å²	27.4	25%	0.252	14%	0.138	S	C	.	.	H	α-helix	trans	-63.6	-41.6	178.1	-71.9	-64.2	170.2	0	0	111.8	G117 Q118 G121 K197 C198 S204 N205	G117-E201 VanDerWaalsContact O-CB 3.27Å; G117-E201 WeakPolarHBondContact O-CB 3.36Å; Q118-E201 HydrophobicContact CG-CG 4.02Å; G121-E201 WeakPolarHBondContact CA-O 3.3Å; K197-E201 WeakPolarHBondContact O-CG 3.27Å; K197-E201 PolarHBondContact O-N 2.95Å; C198-E201 PolarHBondContact O-N 2.99Å; C198-E201 VanDerWaalsContact O-N 3.17Å; E201-S204 PolarHBondContact O-OG 3.35Å; E201-N205 WeakPolarHBondContact O-CB 3.43Å; E201-N205 PolarHBondContact O-N 3.05Å; E201-N205 PolarHBondContact O-ND2 3.49Å
202	M	97.8	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-45.7	174.8	-70.8	174.7	55.7	0	0	112.1	M120 F132 V139 C198 L199 N205 L206	M120-M202 HydrophobicContact CB-CG 4.15Å; M120-M202 HydrophobicContact SD-SD 4.39Å; F132-M202 HydrophobicContact CD2-CB 3.89Å; F132-M202 HydrophobicContact CD2-CE 3.75Å; F132-M202 HydrophobicContact CE2-CB 3.67Å; F132-M202 HydrophobicContact CE2-CE 3.92Å; F132-M202 HydrophobicContact CG-CE 4.14Å; F132-M202 HydrophobicContact CZ-CE 4.41Å; V139-M202 HydrophobicContact CB-SD 4.42Å; V139-M202 HydrophobicContact CG2-SD 3.61Å; C198-M202 WeakPolarHBondContact O-CG 3.14Å; C198-M202 PolarHBondContact O-N 3.45Å; L199-M202 PolarHBondContact O-N 2.94Å; M202-N205 PolarHBondContact O-N 3.13Å; M202-L206 PolarHBondContact O-N 3.3Å
203	V	97.3	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-41.5	-179.4	174.9	0	0	0	0	111.3	F132 L199 Q200 N205 L206 F211 T244 M245 R248	F132-V203 HydrophobicContact CE2-CG2 4Å; F132-V203 HydrophobicContact CZ-CG2 4.07Å; L199-V203 HydrophobicContact CD1-CG2 4.18Å; L199-V203 VanDerWaalsContact O-CG2 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.39Å; L199-V203 PolarHBondContact O-N 3.49Å; Q200-V203 PolarHBondContact O-N 3.3Å; V203-N205 PolarHBondContact O-N 2.9Å; V203-L206 PolarHBondContact O-N 3.38Å; V203-F211 HydrophobicContact CB-CE2 4.41Å; V203-F211 HydrophobicContact CG1-CD1 4.3Å; V203-F211 HydrophobicContact CG1-CD2 4.18Å; V203-F211 HydrophobicContact CG1-CE1 4.08Å; V203-F211 HydrophobicContact CG1-CE2 3.99Å; V203-F211 HydrophobicContact CG1-CG 4.33Å; V203-F211 HydrophobicContact CG1-CZ 3.91Å; V203-F211 HydrophobicContact CG2-CD2 4.18Å; V203-F211 HydrophobicContact CG2-CE2 3.57Å; V203-F211 HydrophobicContact CG2-CZ 3.97Å; V203-T244 HydrophobicContact CB-CG2 4.42Å; V203-T244 HydrophobicContact CG1-CG2 4.18Å; V203-M245 HydrophobicContact CG1-CG 4.1Å; V203-M245 HydrophobicContact CG2-CE 4.42Å; V203-R248 HydrophobicContact CG1-CB 3.98Å; V203-R248 HydrophobicContact CG1-CG 3.8Å; V203-R248 WeakPolarHBondContact O-CG 3.33Å
204	S	96.8	Very high	95.4	Very high	34 Å²	34	33 Å²	33	24%	0.238	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-30.5	-180	74.5	0	0	0	0	112	Q200 E201 R248	Q200-S204 VanDerWaalsContact O-CB 3.24Å; Q200-S204 WeakPolarHBondContact O-CB 3.47Å; Q200-S204 PolarHBondContact O-N 2.91Å; Q200-S204 PolarHBondContact O-OG 3.1Å; E201-S204 PolarHBondContact O-OG 3.35Å; S204-R248 PolarHBondContact O-NE 3.04Å; S204-R248 PolarHBondContact O-NH2 3.01Å
205	N	96.8	Very high	95.2	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-92.9	-6.2	-177.6	-77.6	-69.4	0	0	0	114.9	G121 R125 E201 M202 V203	G121-N205 WeakPolarHBondContact O-CB 3.43Å; R125-N205 WeakPolarHBondContact CA-O 3.21Å; R125-N205 HydrophobicContact CB-CB 4.1Å; R125-N205 PolarHBondContact NE-OD1 3.16Å; R125-N205 PolarHBondContact NH2-OD1 3.19Å; E201-N205 WeakPolarHBondContact O-CB 3.43Å; E201-N205 PolarHBondContact O-N 3.05Å; E201-N205 PolarHBondContact O-ND2 3.49Å; M202-N205 PolarHBondContact O-N 3.13Å; V203-N205 PolarHBondContact O-N 2.9Å
206	L	95.6	Very high	95	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-93.8	133.7	174	-166.1	68.3	0	0	0	110.4	L129 F132 M202 V203 D210 F211 R248	L129-L206 HydrophobicContact CB-CD1 4.5Å; L129-L206 HydrophobicContact CD1-CD2 4.12Å; F132-L206 HydrophobicContact CB-CD1 4.47Å; F132-L206 HydrophobicContact CB-CD2 4.34Å; F132-L206 HydrophobicContact CD1-CD2 4.26Å; F132-L206 HydrophobicContact CD2-CB 4.44Å; F132-L206 HydrophobicContact CD2-CD2 3.93Å; F132-L206 HydrophobicContact CE2-CD2 4.3Å; F132-L206 HydrophobicContact CG-CD2 3.91Å; M202-L206 PolarHBondContact O-N 3.3Å; V203-L206 PolarHBondContact O-N 3.38Å; L206-D210 HydrophobicContact CD1-CB 4Å; L206-D210 HydrophobicContact CD2-CB 4.21Å; L206-D210 HydrophobicContact CG-CB 3.94Å; L206-F211 HydrophobicContact CD2-CB 3.98Å; L206-F211 HydrophobicContact CD2-CD2 4.34Å; L206-R248 WeakPolarHBondContact O-CD 3.48Å; L206-R248 PolarHBondContact O-NE 3.29Å
207	P	94.6	Very high	94.7	Very high	54 Å²	54	41.5 Å²	41.5	35%	0.351	21%	0.211	S	C	.	.			trans	-58.2	142.9	173.2	-24.9	35.1	0	0	0	111.9	K209 D210 F211	P207-K209 HydrophobicContact CB-CG 3.92Å; P207-K209 PolarHBondContact O-N 3.48Å; P207-K209 VanDerWaalsContact O-N 3.13Å; P207-D210 PolarHBondContact O-N 2.85Å; P207-F211 PolarHBondContact O-N 3.26Å
208	S	93.6	Very high	94.6	Very high	21 Å²	21	40.7 Å²	40.7	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-35	-178.7	-46.2	0	0	0	0	112.7	D210 F211 I212 R248	S208-D210 PolarHBondContact O-N 2.88Å; S208-F211 PolarHBondContact O-N 3.13Å; S208-I212 WeakPolarHBondContact O-CD1 3.26Å; S208-I212 VanDerWaalsContact O-CG1 3.24Å; S208-I212 WeakPolarHBondContact O-CG1 3.32Å; S208-I212 PolarHBondContact O-N 2.76Å; S208-R248 WeakPolarHBondContact OG-CD 3.37Å
209	K	93.6	Very high	94.4	Very high	151 Å²	151	40.8 Å²	40.8	66%	0.657	21%	0.213	S	C	*	.	H	α-helix	trans	-60.7	-22.1	175.3	65.4	175.2	-177.6	179.2	0	114.2	P207 K213	P207-K209 HydrophobicContact CB-CG 3.92Å; P207-K209 PolarHBondContact O-N 3.48Å; P207-K209 VanDerWaalsContact O-N 3.13Å; K209-K213 WeakPolarHBondContact O-CE 3.16Å
210	D	95	Very high	94.3	Very high	27 Å²	27	41.8 Å²	41.8	14%	0.144	22%	0.218	C	C	.	.	H	α-helix	trans	-100.6	-39.7	-179.8	-66	-37.5	0	0	0	110.8	L129 L206 P207 S208 I212 K213	L129-D210 HydrophobicContact CB-CB 4.29Å; L206-D210 HydrophobicContact CD1-CB 4Å; L206-D210 HydrophobicContact CD2-CB 4.21Å; L206-D210 HydrophobicContact CG-CB 3.94Å; P207-D210 PolarHBondContact O-N 2.85Å; S208-D210 PolarHBondContact O-N 2.88Å; D210-I212 VanDerWaalsContact C-N 3.25Å; D210-I212 PolarHBondContact O-N 3.32Å; D210-K213 WeakPolarHBondContact O-CB 3.49Å; D210-K213 PolarHBondContact O-N 3.49Å; D210-K213 IonicContact OD1-NZ 3.55Å; D210-K213 PolarHBondContact OD1-NZ 3.36Å
211	F	94.5	Very high	94.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-33.9	174.1	-173	-116.3	0	0	0	112.6	F132 V203 L206 P207 S208 K213 V214 R216 I219 M245 R248 L250	F132-F211 HydrophobicContact CZ-CD2 4.15Å; F132-F211 HydrophobicContact CZ-CE2 4.08Å; V203-F211 HydrophobicContact CB-CE2 4.41Å; V203-F211 HydrophobicContact CG1-CD1 4.3Å; V203-F211 HydrophobicContact CG1-CD2 4.18Å; V203-F211 HydrophobicContact CG1-CE1 4.08Å; V203-F211 HydrophobicContact CG1-CE2 3.99Å; V203-F211 HydrophobicContact CG1-CG 4.33Å; V203-F211 HydrophobicContact CG1-CZ 3.91Å; V203-F211 HydrophobicContact CG2-CD2 4.18Å; V203-F211 HydrophobicContact CG2-CE2 3.57Å; V203-F211 HydrophobicContact CG2-CZ 3.97Å; L206-F211 HydrophobicContact CD2-CB 3.98Å; L206-F211 HydrophobicContact CD2-CD2 4.34Å; P207-F211 PolarHBondContact O-N 3.26Å; S208-F211 PolarHBondContact O-N 3.13Å; F211-K213 PolarHBondContact O-N 3.44Å; F211-V214 HydrophobicContact CD2-CG2 4.4Å; F211-V214 WeakPolarHBondContact O-CB 3.32Å; F211-V214 PolarHBondContact O-N 3.45Å; F211-R216 HydrophobicContact CE1-CG 4.03Å; F211-R216 HydrophobicContact CE2-CG 4.06Å; F211-R216 HydrophobicContact CZ-CG 3.69Å; F211-R216 PolarHBondContact O-NE 3.45Å; F211-I219 HydrophobicContact CE2-CD1 4.2Å; F211-M245 HydrophobicContact CE1-CB 4.42Å; F211-M245 HydrophobicContact CZ-CG 4.26Å; F211-R248 HydrophobicContact CB-CB 4.32Å; F211-R248 HydrophobicContact CD1-CB 3.65Å; F211-R248 WeakPolarHBondContact CD1-O 3.25Å; F211-R248 HydrophobicContact CE1-CB 4.27Å; F211-R248 HydrophobicContact CG-CB 4.19Å; F211-L250 HydrophobicContact CE1-CB 4.46Å
212	I	91.1	Very high	94	Very high	50 Å²	50	43.1 Å²	43.1	26%	0.256	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	175	-70.7	165.9	0	0	0	112.8	S208 D210 V214 R216 H249 Y252	S208-I212 WeakPolarHBondContact O-CD1 3.26Å; S208-I212 VanDerWaalsContact O-CG1 3.24Å; S208-I212 WeakPolarHBondContact O-CG1 3.32Å; S208-I212 PolarHBondContact O-N 2.76Å; D210-I212 VanDerWaalsContact C-N 3.25Å; D210-I212 PolarHBondContact O-N 3.32Å; I212-V214 VanDerWaalsContact C-N 3.3Å; I212-R216 PolarHBondContact O-NH2 3.02Å; I212-H249 HydrophobicContact CD1-CB 3.47Å; I212-H249 VanDerWaalsContact CD1-CB 3.47Å; I212-H249 WeakPolarHBondContact CD1-ND1 3.49Å; I212-H249 HydrophobicContact CG1-CB 3.69Å; I212-Y252 HydrophobicContact CD1-CD1 4.47Å; I212-Y252 HydrophobicContact CD1-CG 4.49Å
213	K	92.2	Very high	93.9	Very high	138 Å²	138	43.1 Å²	43.1	60%	0.6	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.7	179.2	-57.2	169.5	-174.7	157.4	0	113	L129 K209 D210 F211	L129-K213 HydrophobicContact CD2-CB 4.13Å; L129-K213 HydrophobicContact CD2-CD 3.94Å; K209-K213 WeakPolarHBondContact O-CE 3.16Å; D210-K213 WeakPolarHBondContact O-CB 3.49Å; D210-K213 PolarHBondContact O-N 3.49Å; D210-K213 IonicContact OD1-NZ 3.55Å; D210-K213 PolarHBondContact OD1-NZ 3.36Å; F211-K213 PolarHBondContact O-N 3.44Å
214	V	92.2	Very high	93.8	Very high	10 Å²	10	44.9 Å²	44.9	6%	0.061	23%	0.232	C	C	.	.	S	Bend	trans	-81.5	137.2	178.1	-178.6	0	0	0	0	109.1	L129 F132 L136 F211 I212 R216 I219	L129-V214 HydrophobicContact CD1-CG2 3.57Å; F132-V214 HydrophobicContact CD1-CG2 4.04Å; F132-V214 HydrophobicContact CE1-CG1 4.03Å; F132-V214 HydrophobicContact CE1-CG2 3.85Å; L136-V214 HydrophobicContact CD2-CG1 3.98Å; F211-V214 HydrophobicContact CD2-CG2 4.4Å; F211-V214 WeakPolarHBondContact O-CB 3.32Å; F211-V214 PolarHBondContact O-N 3.45Å; I212-V214 VanDerWaalsContact C-N 3.3Å; V214-R216 HydrophobicContact CB-CG 4.4Å; V214-R216 WeakPolarHBondContact O-CG 3.23Å; V214-R216 PolarHBondContact O-N 3.35Å; V214-R216 VanDerWaalsContact O-N 3.09Å; V214-R216 PolarHBondContact O-NE 2.84Å; V214-R216 VanDerWaalsContact O-NE 3.09Å; V214-I219 HydrophobicContact CG1-CD1 4.14Å
215	D	90.2	Very high	93.7	Very high	112 Å²	112	48.2 Å²	48.2	60%	0.599	24%	0.243	S	C	*	.			trans	-65.7	108.3	164.3	-179.4	2.3	0	0	0	109.1	T217	D215-T217 VanDerWaalsContact OD1-CB 3.26Å; D215-T217 WeakPolarHBondContact OD1-CB 3.49Å; D215-T217 PolarHBondContact OD1-N 3.33Å; D215-T217 PolarHBondContact OD1-OG1 3.14Å
216	R	91.8	Very high	93.6	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.045	24%	0.239	C	C	.	.			trans	-95.3	5.3	-174.1	-73.9	158.1	-71.4	164.6	3.1	112.7	F211 I212 V214 I219 L220 H249 L250 Y252 T253	F211-R216 HydrophobicContact CE1-CG 4.03Å; F211-R216 HydrophobicContact CE2-CG 4.06Å; F211-R216 HydrophobicContact CZ-CG 3.69Å; F211-R216 PolarHBondContact O-NE 3.45Å; I212-R216 PolarHBondContact O-NH2 3.02Å; V214-R216 HydrophobicContact CB-CG 4.4Å; V214-R216 WeakPolarHBondContact O-CG 3.23Å; V214-R216 PolarHBondContact O-N 3.35Å; V214-R216 VanDerWaalsContact O-N 3.09Å; V214-R216 PolarHBondContact O-NE 2.84Å; V214-R216 VanDerWaalsContact O-NE 3.09Å; R216-I219 HydrophobicContact CG-CD1 4.38Å; R216-I219 PolarHBondContact O-N 3.37Å; R216-L220 VanDerWaalsContact O-CB 3.29Å; R216-L220 WeakPolarHBondContact O-CB 3.49Å; R216-L220 PolarHBondContact O-N 2.98Å; R216-H249 PolarHBondContact NH1-O 2.53Å; R216-L250 HydrophobicContact CB-CD1 4.02Å; R216-L250 HydrophobicContact CG-CD1 4.4Å; R216-L250 PolarHBondContact NH1-O 3.4Å; R216-Y252 PolarHBondContact NH1-O 2.95Å; R216-Y252 VanDerWaalsContact NH1-O 3.09Å; R216-Y252 PolarHBondContact NH2-O 3.24Å; R216-T253 PolarHBondContact NH2-OG1 3.24Å
217	T	90.3	Very high	93.6	Very high	78 Å²	78	47.7 Å²	47.7	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-58.7	-176.6	-52.2	0	0	0	0	111.2	D215 I219 L220 E221	D215-T217 VanDerWaalsContact OD1-CB 3.26Å; D215-T217 WeakPolarHBondContact OD1-CB 3.49Å; D215-T217 PolarHBondContact OD1-N 3.33Å; D215-T217 PolarHBondContact OD1-OG1 3.14Å; T217-I219 VanDerWaalsContact C-N 3.31Å; T217-I219 PolarHBondContact O-N 3.38Å; T217-L220 PolarHBondContact O-N 2.94Å; T217-E221 WeakPolarHBondContact O-CG 3.45Å; T217-E221 PolarHBondContact O-N 2.75Å
218	T	92.5	Very high	93.5	Very high	61 Å²	61	50.3 Å²	50.3	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-37.6	179.3	-47.6	0	0	0	0	112.4	I140 L220 E221 L222	I140-T218 HydrophobicContact CD1-CG2 4.23Å; I140-T218 HydrophobicContact CG2-CG2 4.04Å; T218-L220 VanDerWaalsContact C-N 3.35Å; T218-L220 PolarHBondContact O-N 3.25Å; T218-E221 PolarHBondContact O-N 3.16Å; T218-L222 HydrophobicContact CG2-CD1 4.13Å; T218-L222 HydrophobicContact CG2-CG 4.44Å; T218-L222 WeakPolarHBondContact O-CB 3.41Å; T218-L222 WeakPolarHBondContact O-CG 3.1Å; T218-L222 PolarHBondContact O-N 3.12Å
219	I	94	Very high	93.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-47.5	177.1	-68.2	174.9	0	0	0	110.2	L136 I140 L199 F211 V214 R216 T217 T223 M245	L136-I219 HydrophobicContact CD1-CD1 3.89Å; L136-I219 HydrophobicContact CD1-CG1 4.14Å; L136-I219 HydrophobicContact CD2-CD1 4.21Å; I140-I219 HydrophobicContact CD1-CG1 4.1Å; L199-I219 HydrophobicContact CD2-CG2 4.3Å; F211-I219 HydrophobicContact CE2-CD1 4.2Å; V214-I219 HydrophobicContact CG1-CD1 4.14Å; R216-I219 HydrophobicContact CG-CD1 4.38Å; R216-I219 PolarHBondContact O-N 3.37Å; T217-I219 VanDerWaalsContact C-N 3.31Å; T217-I219 PolarHBondContact O-N 3.38Å; I219-T223 WeakPolarHBondContact O-CB 3.45Å; I219-T223 PolarHBondContact O-N 2.85Å; I219-T223 PolarHBondContact O-OG1 2.82Å; I219-M245 HydrophobicContact CG2-CE 3.18Å; I219-M245 HydrophobicContact CG2-SD 3.57Å; I219-M245 VanDerWaalsContact CG2-SD 3.57Å
220	L	93.7	Very high	92.8	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.12	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-44.5	179.8	-175.8	58.7	0	0	0	111.5	R216 T217 T218 L222 T223 F224 L242 L250 T261 V265	R216-L220 VanDerWaalsContact O-CB 3.29Å; R216-L220 WeakPolarHBondContact O-CB 3.49Å; R216-L220 PolarHBondContact O-N 2.98Å; T217-L220 PolarHBondContact O-N 2.94Å; T218-L220 VanDerWaalsContact C-N 3.35Å; T218-L220 PolarHBondContact O-N 3.25Å; L220-L222 PolarHBondContact O-N 3.2Å; L220-T223 PolarHBondContact O-N 2.58Å; L220-F224 HydrophobicContact CD1-CD1 3.75Å; L220-F224 HydrophobicContact CD1-CE1 3.36Å; L220-F224 HydrophobicContact CD1-CE2 4.38Å; L220-F224 HydrophobicContact CD1-CG 4.43Å; L220-F224 HydrophobicContact CD1-CZ 3.72Å; L220-F224 HydrophobicContact CG-CD1 4.38Å; L220-F224 HydrophobicContact CG-CE1 4.19Å; L220-F224 HydrophobicContact CG-CE2 4.41Å; L220-F224 HydrophobicContact CG-CZ 4.2Å; L220-F224 WeakPolarHBondContact O-CB 3.49Å; L220-F224 WeakPolarHBondContact O-CG 3.27Å; L220-F224 PolarHBondContact O-N 3.22Å; L220-L242 HydrophobicContact CD1-CD1 4.42Å; L220-L250 HydrophobicContact CD1-CD1 4.44Å; L220-L250 HydrophobicContact CD1-CD2 3.9Å; L220-T261 HydrophobicContact CD2-CG2 3.74Å; L220-V265 HydrophobicContact CD1-CG2 4.36Å
221	E	94	Very high	92.3	Very high	110 Å²	110	46.4 Å²	46.4	51%	0.514	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-47.5	177.5	-74.7	177	-176.8	0	0	112.1	T217 T218 F224 K225	T217-E221 WeakPolarHBondContact O-CG 3.45Å; T217-E221 PolarHBondContact O-N 2.75Å; T218-E221 PolarHBondContact O-N 3.16Å; E221-F224 PolarHBondContact O-N 3.46Å; E221-K225 WeakPolarHBondContact O-CG 3.19Å; E221-K225 PolarHBondContact O-N 3.38Å
222	L	95.3	Very high	92	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-38.8	178.1	-67.4	175.7	0	0	0	112.1	I140 V143 I144 L147 T218 L220 F224 K225 A226	I140-L222 HydrophobicContact CD1-CD1 3.69Å; I140-L222 HydrophobicContact CG2-CD1 3.99Å; V143-L222 HydrophobicContact CB-CD1 4.33Å; V143-L222 HydrophobicContact CG1-CB 4.1Å; V143-L222 HydrophobicContact CG1-CD1 4.04Å; V143-L222 HydrophobicContact CG1-CD2 4.42Å; V143-L222 HydrophobicContact CG1-CG 4.42Å; I144-L222 HydrophobicContact CD1-CD1 4.4Å; I144-L222 HydrophobicContact CG1-CD1 3.97Å; I144-L222 HydrophobicContact CG1-CD2 3.76Å; L147-L222 HydrophobicContact CD2-CD2 3.89Å; T218-L222 HydrophobicContact CG2-CD1 4.13Å; T218-L222 HydrophobicContact CG2-CG 4.44Å; T218-L222 WeakPolarHBondContact O-CB 3.41Å; T218-L222 WeakPolarHBondContact O-CG 3.1Å; T218-L222 PolarHBondContact O-N 3.12Å; L220-L222 PolarHBondContact O-N 3.2Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.05Å; L222-K225 PolarHBondContact O-N 3.37Å; L222-A226 PolarHBondContact O-N 3.47Å
223	T	96.2	Very high	91.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-41.1	174.9	-56.5	0	0	0	0	110.7	I219 L220 A226 V227 V241 L242 M245	I219-T223 WeakPolarHBondContact O-CB 3.45Å; I219-T223 PolarHBondContact O-N 2.85Å; I219-T223 PolarHBondContact O-OG1 2.82Å; L220-T223 PolarHBondContact O-N 2.58Å; T223-A226 WeakPolarHBondContact O-CB 3.38Å; T223-A226 PolarHBondContact O-N 3.1Å; T223-V227 WeakPolarHBondContact O-CG2 3.44Å; T223-V227 PolarHBondContact O-N 2.85Å; T223-V241 HydrophobicContact CG2-CG1 4.33Å; T223-L242 HydrophobicContact CG2-CB 3.91Å; T223-L242 HydrophobicContact CG2-CD1 4.31Å; T223-M245 HydrophobicContact CG2-SD 4.47Å
224	F	95.7	Very high	91.9	Very high	37 Å²	37	41.6 Å²	41.6	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-37.8	175.9	-83.1	15.3	0	0	0	112.6	L220 E221 L222 V227 Q228 L242 N264 V265 Q268	L220-F224 HydrophobicContact CD1-CD1 3.75Å; L220-F224 HydrophobicContact CD1-CE1 3.36Å; L220-F224 HydrophobicContact CD1-CE2 4.38Å; L220-F224 HydrophobicContact CD1-CG 4.43Å; L220-F224 HydrophobicContact CD1-CZ 3.72Å; L220-F224 HydrophobicContact CG-CD1 4.38Å; L220-F224 HydrophobicContact CG-CE1 4.19Å; L220-F224 HydrophobicContact CG-CE2 4.41Å; L220-F224 HydrophobicContact CG-CZ 4.2Å; L220-F224 WeakPolarHBondContact O-CB 3.49Å; L220-F224 WeakPolarHBondContact O-CG 3.27Å; L220-F224 PolarHBondContact O-N 3.22Å; E221-F224 PolarHBondContact O-N 3.46Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.05Å; F224-V227 VanDerWaalsContact O-CG2 3.23Å; F224-V227 WeakPolarHBondContact O-CG2 3.41Å; F224-Q228 WeakPolarHBondContact O-CG 3.27Å; F224-Q228 PolarHBondContact O-N 3.39Å; F224-L242 HydrophobicContact CE1-CD1 4.36Å; F224-L242 HydrophobicContact CE1-CD2 4.4Å; F224-N264 HydrophobicContact CE2-CB 4.38Å; F224-V265 HydrophobicContact CE1-CG2 4.32Å; F224-V265 HydrophobicContact CZ-CG2 4.05Å; F224-Q268 HydrophobicContact CD1-CG 4.06Å; F224-Q268 HydrophobicContact CE1-CB 4.02Å; F224-Q268 HydrophobicContact CE1-CG 3.95Å; F224-Q268 HydrophobicContact CE2-CB 4.45Å; F224-Q268 HydrophobicContact CZ-CB 3.96Å; F224-Q268 HydrophobicContact CZ-CG 4.34Å
225	K	94.8	Very high	92	Very high	105 Å²	105	42.3 Å²	42.3	46%	0.457	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-40.7	170.8	-69.1	-179.7	-178.6	-175.9	0	111.8	L147 E221 L222 Q228 H229	L147-K225 HydrophobicContact CD1-CB 4.25Å; L147-K225 HydrophobicContact CD2-CB 3.72Å; L147-K225 HydrophobicContact CD2-CD 3.53Å; L147-K225 HydrophobicContact CD2-CG 4.28Å; L147-K225 HydrophobicContact CG-CB 4.48Å; E221-K225 WeakPolarHBondContact O-CG 3.19Å; E221-K225 PolarHBondContact O-N 3.38Å; L222-K225 PolarHBondContact O-N 3.37Å; K225-Q228 CarbonylContact O-C 3.57Å; K225-Q228 PolarHBondContact O-N 2.96Å; K225-H229 PolarHBondContact O-N 2.95Å; K225-H229 VanDerWaalsContact O-N 3.16Å
226	A	94.9	Very high	92.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-44.7	178.7	0	0	0	0	0	112.8	M196 L222 T223 Q228 H229 V234	M196-A226 HydrophobicContact CE-CB 3.71Å; M196-A226 HydrophobicContact SD-CB 4.27Å; L222-A226 PolarHBondContact O-N 3.47Å; T223-A226 WeakPolarHBondContact O-CB 3.38Å; T223-A226 PolarHBondContact O-N 3.1Å; A226-Q228 PolarHBondContact O-N 3.26Å; A226-H229 WeakPolarHBondContact O-CB 3.47Å; A226-H229 PolarHBondContact O-N 3.18Å; A226-H229 VanDerWaalsContact O-N 3.09Å; A226-V234 HydrophobicContact CB-CG1 4.09Å
227	V	95.5	Very high	92.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-69.6	-13.2	177.7	-62.2	0	0	0	0	114.2	T223 F224 R235 Y239 Q268	T223-V227 WeakPolarHBondContact O-CG2 3.44Å; T223-V227 PolarHBondContact O-N 2.85Å; F224-V227 VanDerWaalsContact O-CG2 3.23Å; F224-V227 WeakPolarHBondContact O-CG2 3.41Å; V227-R235 VanDerWaalsContact O-CD 3.25Å; V227-R235 WeakPolarHBondContact O-CD 3.36Å; V227-R235 WeakPolarHBondContact O-CG 3.36Å; V227-Y239 HydrophobicContact CB-CD1 4.47Å; V227-Y239 HydrophobicContact CB-CD2 4.24Å; V227-Y239 HydrophobicContact CB-CE1 4.06Å; V227-Y239 HydrophobicContact CB-CE2 3.81Å; V227-Y239 HydrophobicContact CG1-CD1 3.91Å; V227-Y239 HydrophobicContact CG1-CD2 4.01Å; V227-Y239 HydrophobicContact CG1-CE1 3.98Å; V227-Y239 HydrophobicContact CG1-CE2 4.08Å; V227-Y239 HydrophobicContact CG1-CG 3.9Å; V227-Q268 HydrophobicContact CG2-CG 3.67Å; V227-Q268 VanDerWaalsContact CG2-NE2 3.33Å
228	Q	91.7	Very high	92.8	Very high	109 Å²	109	34.9 Å²	34.9	51%	0.509	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	5.8	174.5	-64.4	176.9	37.7	0	0	112.4	F224 K225 A226	F224-Q228 WeakPolarHBondContact O-CG 3.27Å; F224-Q228 PolarHBondContact O-N 3.39Å; K225-Q228 CarbonylContact O-C 3.57Å; K225-Q228 PolarHBondContact O-N 2.96Å; A226-Q228 PolarHBondContact O-N 3.26Å
229	H	90.1	Very high	93.1	Very high	21 Å²	21	32.1 Å²	32.1	10%	0.097	15%	0.152	C	C	.	.			trans	-67.9	150.4	-175.6	-168.4	-95.8	0	0	0	112	W189 K225 A226 N231 V234 R235	W189-H229 AromaticContact CD2-CE1 3.43Å; W189-H229 VanDerWaalsContact CD2-CE1 3.43Å; W189-H229 AromaticContact CD2-NE2 3.91Å; W189-H229 AromaticContact CE2-CE1 3.51Å; W189-H229 AromaticContact CE2-NE2 3.48Å; W189-H229 AromaticContact CE3-CE1 3.73Å; W189-H229 AromaticContact CG-CE1 3.75Å; W189-H229 AromaticContact CZ2-CE1 3.83Å; W189-H229 AromaticContact CZ2-NE2 3.63Å; W189-H229 AromaticContact NE1-CE1 3.91Å; W189-H229 AromaticContact NE1-NE2 3.66Å; K225-H229 PolarHBondContact O-N 2.95Å; K225-H229 VanDerWaalsContact O-N 3.16Å; A226-H229 WeakPolarHBondContact O-CB 3.47Å; A226-H229 PolarHBondContact O-N 3.18Å; A226-H229 VanDerWaalsContact O-N 3.09Å; H229-N231 WeakPolarHBondContact ND1-CB 3.48Å; H229-N231 PolarHBondContact ND1-N 3.13Å; H229-N231 PolarHBondContact O-N 2.98Å; H229-V234 HydrophobicContact CB-CB 4.06Å; H229-V234 HydrophobicContact CB-CG1 3.62Å; H229-R235 HydrophobicContact CB-CG 4.43Å; H229-R235 WeakPolarHBondContact O-CD 3.44Å; H229-R235 WeakPolarHBondContact O-CG 3.46Å; H229-R235 PolarHBondContact O-NH1 3.36Å
230	V	83.6	Confident	93.3	Very high	94 Å²	94	33.8 Å²	33.8	57%	0.57	16%	0.161	S	C	*	.	S	Bend	trans	-62.2	-26.7	-179.1	-63.7	0	0	0	0	113.1	W189 R235	W189-V230 HydrophobicContact CH2-CG2 4.08Å; W189-V230 HydrophobicContact CZ3-CG2 4.04Å; V230-R235 VanDerWaalsContact C-NH1 3.34Å; V230-R235 PolarHBondContact O-NH1 3.22Å
231	N	83.3	Confident	93.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-87.2	124.3	-178.9	-172.9	-77.4	0	0	0	112.5	H184 A187 W189 H229 F233 V234 R235	H184-N231 PolarHBondContact O-ND2 3.48Å; A187-N231 PolarHBondContact O-ND2 2.83Å; W189-N231 HydrophobicContact CE3-CB 4.4Å; H229-N231 WeakPolarHBondContact ND1-CB 3.48Å; H229-N231 PolarHBondContact ND1-N 3.13Å; H229-N231 PolarHBondContact O-N 2.98Å; N231-F233 VanDerWaalsContact C-N 3.35Å; N231-F233 PolarHBondContact O-N 2.91Å; N231-F233 WeakPolarHBondContact OD1-CB 3.31Å; N231-F233 PolarHBondContact OD1-N 3.44Å; N231-V234 HydrophobicContact CB-CB 4.18Å; N231-V234 HydrophobicContact CB-CG2 3.87Å; N231-V234 PolarHBondContact O-N 3.21Å; N231-V234 PolarHBondContact OD1-N 3.22Å; N231-R235 WeakPolarHBondContact O-CG 3.14Å; N231-R235 PolarHBondContact O-N 2.99Å; N231-R235 VanDerWaalsContact O-N 3.09Å
232	R	88.4	Confident	93.7	Very high	38 Å²	38	27.5 Å²	27.5	14%	0.143	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-35.1	-178.4	80.8	-162.1	174.9	173	-3.4	114.4	D185 R235 E236 W277 V280	D185-R232 WeakPolarHBondContact O-CD 3.1Å; D185-R232 WeakPolarHBondContact O-CG 3.35Å; D185-R232 PolarHBondContact O-N 3.38Å; D185-R232 PolarHBondContact O-NE 3.13Å; D185-R232 WeakPolarHBondContact OD1-CB 3.29Å; D185-R232 PolarHBondContact OD1-N 3.46Å; R232-R235 PolarHBondContact O-N 2.87Å; R232-E236 WeakPolarHBondContact O-CB 3.28Å; R232-E236 PolarHBondContact O-N 3.48Å; R232-W277 HydrophobicContact CB-CB 4.42Å; R232-W277 HydrophobicContact CB-CD2 4.38Å; R232-W277 HydrophobicContact CB-CG 3.91Å; R232-W277 HydrophobicContact CG-CG 4.47Å; R232-W277 VanDerWaalsContact NH1-CE3 3.33Å; R232-V280 HydrophobicContact CB-CG2 4.09Å; R232-V280 VanDerWaalsContact O-CG2 3.3Å; R232-V280 WeakPolarHBondContact O-CG2 3.45Å
233	F	89.7	Confident	93.9	Very high	49 Å²	49	27.8 Å²	27.8	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-72.8	-34.7	-178.1	-58.8	-59.5	0	0	0	111.6	T186 N231 T237	T186-F233 WeakPolarHBondContact O-CE2 3.34Å; N231-F233 VanDerWaalsContact C-N 3.35Å; N231-F233 PolarHBondContact O-N 2.91Å; N231-F233 WeakPolarHBondContact OD1-CB 3.31Å; N231-F233 PolarHBondContact OD1-N 3.44Å; F233-T237 WeakPolarHBondContact O-CB 3.29Å; F233-T237 PolarHBondContact O-N 3.24Å; F233-T237 PolarHBondContact O-OG1 3.44Å
234	V	92.5	Very high	93.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-43.1	169.9	179.4	0	0	0	0	110.3	W189 L192 E193 A226 H229 N231 T237 G238	W189-V234 HydrophobicContact CB-CG2 3.73Å; W189-V234 HydrophobicContact CG-CG2 4.46Å; L192-V234 HydrophobicContact CD2-CB 4.39Å; L192-V234 HydrophobicContact CD2-CG1 3.49Å; L192-V234 VanDerWaalsContact CD2-CG1 3.49Å; L192-V234 HydrophobicContact CD2-CG2 3.91Å; L192-V234 HydrophobicContact CG-CG1 4.22Å; E193-V234 HydrophobicContact CG-CG2 4.12Å; A226-V234 HydrophobicContact CB-CG1 4.09Å; H229-V234 HydrophobicContact CB-CB 4.06Å; H229-V234 HydrophobicContact CB-CG1 3.62Å; N231-V234 HydrophobicContact CB-CB 4.18Å; N231-V234 HydrophobicContact CB-CG2 3.87Å; N231-V234 PolarHBondContact O-N 3.21Å; N231-V234 PolarHBondContact OD1-N 3.22Å; V234-T237 PolarHBondContact O-N 3.13Å; V234-G238 PolarHBondContact O-N 2.83Å
235	R	94.5	Very high	94	Very high	25 Å²	25	27 Å²	27	9%	0.094	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-46.2	176.5	-63.8	-162.3	-59.1	-75.3	-0.1	112.1	D185 V227 H229 V230 N231 R232 G238 Y239 D275 W277 V280	D185-R235 IonicContact OD1-NH1 3.52Å; D185-R235 PolarHBondContact OD1-NH1 3.44Å; D185-R235 IonicContact OD1-NH2 2.67Å; V227-R235 VanDerWaalsContact O-CD 3.25Å; V227-R235 WeakPolarHBondContact O-CD 3.36Å; V227-R235 WeakPolarHBondContact O-CG 3.36Å; H229-R235 HydrophobicContact CB-CG 4.43Å; H229-R235 WeakPolarHBondContact O-CD 3.44Å; H229-R235 WeakPolarHBondContact O-CG 3.46Å; H229-R235 PolarHBondContact O-NH1 3.36Å; V230-R235 VanDerWaalsContact C-NH1 3.34Å; V230-R235 PolarHBondContact O-NH1 3.22Å; N231-R235 WeakPolarHBondContact O-CG 3.14Å; N231-R235 PolarHBondContact O-N 2.99Å; N231-R235 VanDerWaalsContact O-N 3.09Å; R232-R235 PolarHBondContact O-N 2.87Å; R235-G238 PolarHBondContact O-N 3.35Å; R235-Y239 WeakPolarHBondContact O-CD2 3.18Å; R235-Y239 PolarHBondContact O-N 3.2Å; R235-D275 IonicContact CZ-OD2 2.75Å; R235-D275 IonicContact NE-OD1 2.71Å; R235-D275 IonicContact NE-OD2 3.8Å; R235-D275 PolarHBondContact NE-OD2 2.71Å; R235-D275 IonicContact NH2-OD1 2.63Å; R235-D275 PolarHBondContact NH2-OD1 3.11Å; R235-D275 IonicContact NH2-OD2 2.97Å; R235-D275 PolarHBondContact NH2-OD2 3.21Å; R235-W277 VanDerWaalsContact NH2-CD1 3.31Å; R235-V280 HydrophobicContact CB-CG1 3.81Å; R235-V280 HydrophobicContact CB-CG2 4.14Å
236	E	95.8	Very high	94.1	Very high	39 Å²	39	22.1 Å²	22.1	18%	0.182	11%	0.111	C	C	.	.	H	α-helix	trans	-55.3	-54.4	175.2	-178.6	177.9	-169.5	0	0	110.7	R232 G238 Y239 D240 V280 A283	R232-E236 WeakPolarHBondContact O-CB 3.28Å; R232-E236 PolarHBondContact O-N 3.48Å; E236-G238 VanDerWaalsContact C-N 3.29Å; E236-G238 PolarHBondContact O-N 3.26Å; E236-Y239 PolarHBondContact O-N 2.95Å; E236-Y239 VanDerWaalsContact O-N 3.12Å; E236-D240 PolarHBondContact O-N 3.43Å; E236-V280 HydrophobicContact CB-CG2 4.19Å; E236-A283 HydrophobicContact CG-CB 4.01Å
237	T	96	Very high	94.2	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-41.2	177.5	-60.6	0	0	0	0	111.3	M196 K197 F233 V234 Y239 D240 V241	M196-T237 HydrophobicContact CB-CG2 3.77Å; K197-T237 HydrophobicContact CG-CG2 3.93Å; F233-T237 WeakPolarHBondContact O-CB 3.29Å; F233-T237 PolarHBondContact O-N 3.24Å; F233-T237 PolarHBondContact O-OG1 3.44Å; V234-T237 PolarHBondContact O-N 3.13Å; T237-Y239 VanDerWaalsContact C-N 3.32Å; T237-Y239 PolarHBondContact O-N 3.45Å; T237-D240 PolarHBondContact O-N 3Å; T237-V241 HydrophobicContact CG2-CG2 4.2Å; T237-V241 WeakPolarHBondContact O-CB 3.14Å; T237-V241 WeakPolarHBondContact O-CG2 3.14Å; T237-V241 PolarHBondContact O-N 2.84Å
238	G	97.5	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-40.2	176.7	0	0	0	0	0	112.7	V234 R235 E236 L242	V234-G238 PolarHBondContact O-N 2.83Å; R235-G238 PolarHBondContact O-N 3.35Å; E236-G238 VanDerWaalsContact C-N 3.29Å; E236-G238 PolarHBondContact O-N 3.26Å; G238-L242 WeakPolarHBondContact O-CB 3.34Å; G238-L242 PolarHBondContact O-N 2.8Å
239	Y	98.5	Very high	94.3	Very high	3 Å²	3	25 Å²	25	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-72.9	-34.4	176.5	-79.2	-65.7	0	0	0	112.5	V227 R235 E236 T237 L242 S243 Q268 L269 G272 V280 A284	V227-Y239 HydrophobicContact CB-CD1 4.47Å; V227-Y239 HydrophobicContact CB-CD2 4.24Å; V227-Y239 HydrophobicContact CB-CE1 4.06Å; V227-Y239 HydrophobicContact CB-CE2 3.81Å; V227-Y239 HydrophobicContact CG1-CD1 3.91Å; V227-Y239 HydrophobicContact CG1-CD2 4.01Å; V227-Y239 HydrophobicContact CG1-CE1 3.98Å; V227-Y239 HydrophobicContact CG1-CE2 4.08Å; V227-Y239 HydrophobicContact CG1-CG 3.9Å; R235-Y239 WeakPolarHBondContact O-CD2 3.18Å; R235-Y239 PolarHBondContact O-N 3.2Å; E236-Y239 PolarHBondContact O-N 2.95Å; E236-Y239 VanDerWaalsContact O-N 3.12Å; T237-Y239 VanDerWaalsContact C-N 3.32Å; T237-Y239 PolarHBondContact O-N 3.45Å; Y239-L242 HydrophobicContact CD1-CD2 4.26Å; Y239-L242 HydrophobicContact CE1-CD2 4.47Å; Y239-L242 PolarHBondContact O-N 3.12Å; Y239-S243 WeakPolarHBondContact O-CB 3.45Å; Y239-S243 PolarHBondContact O-N 3.2Å; Y239-Q268 PolarHBondContact OH-NE2 2.96Å; Y239-Q268 PolarHBondContact OH-O 2.99Å; Y239-L269 HydrophobicContact CD1-CD2 4Å; Y239-L269 HydrophobicContact CE1-CD2 4.14Å; Y239-G272 WeakPolarHBondContact OH-CA 3.13Å; Y239-G272 PolarHBondContact OH-N 3.12Å; Y239-V280 HydrophobicContact CD2-CG1 3.7Å; Y239-V280 HydrophobicContact CE2-CG1 3.72Å; Y239-A284 HydrophobicContact CD1-CB 3.92Å; Y239-A284 HydrophobicContact CD2-CB 4.2Å; Y239-A284 HydrophobicContact CE1-CB 4.1Å; Y239-A284 HydrophobicContact CE2-CB 4.37Å; Y239-A284 HydrophobicContact CG-CB 4Å
240	D	97.9	Very high	94.5	Very high	36 Å²	36	24.1 Å²	24.1	19%	0.193	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-42.9	172.6	-76.7	-30.3	0	0	0	111.6	Q200 E236 T237 S243 T244 R286	Q200-D240 PolarHBondContact NE2-O 3.24Å; Q200-D240 VanDerWaalsContact NE2-O 3.17Å; E236-D240 PolarHBondContact O-N 3.43Å; T237-D240 PolarHBondContact O-N 3Å; D240-S243 WeakPolarHBondContact O-CB 3.4Å; D240-S243 PolarHBondContact O-N 3.02Å; D240-T244 PolarHBondContact O-N 2.85Å; D240-T244 PolarHBondContact O-OG1 3.41Å; D240-R286 VanDerWaalsContact CG-NH2 3.33Å; D240-R286 IonicContact OD1-CZ 2.71Å; D240-R286 IonicContact OD1-NE 3.33Å; D240-R286 PolarHBondContact OD1-NE 2.95Å; D240-R286 IonicContact OD1-NH2 3.39Å; D240-R286 PolarHBondContact OD1-NH2 3.4Å; D240-R286 IonicContact OD2-NH2 3.44Å; D240-R286 PolarHBondContact OD2-NH2 2.77Å; D240-R286 VanDerWaalsContact OD2-NH2 3.17Å
241	V	97.9	Very high	95	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-47.8	173.2	174.7	0	0	0	0	110.5	M196 Q200 T223 T237 S243 T244 M245	M196-V241 HydrophobicContact CB-CG2 4.11Å; M196-V241 HydrophobicContact CE-CB 4.16Å; M196-V241 HydrophobicContact CE-CG1 3.99Å; M196-V241 HydrophobicContact CE-CG2 4.02Å; M196-V241 WeakPolarHBondContact O-CG2 3.22Å; Q200-V241 HydrophobicContact CB-CG2 3.92Å; Q200-V241 HydrophobicContact CG-CG2 4.41Å; T223-V241 HydrophobicContact CG2-CG1 4.33Å; T237-V241 HydrophobicContact CG2-CG2 4.2Å; T237-V241 WeakPolarHBondContact O-CB 3.14Å; T237-V241 WeakPolarHBondContact O-CG2 3.14Å; T237-V241 PolarHBondContact O-N 2.84Å; V241-S243 VanDerWaalsContact C-N 3.32Å; V241-S243 PolarHBondContact O-N 2.92Å; V241-T244 WeakPolarHBondContact O-CB 3.16Å; V241-T244 PolarHBondContact O-N 2.57Å; V241-M245 HydrophobicContact CG1-CE 3.29Å; V241-M245 HydrophobicContact CG1-SD 4.01Å; V241-M245 WeakPolarHBondContact O-CG 3.17Å; V241-M245 PolarHBondContact O-N 3.05Å
242	L	98.2	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60	-41.7	177	-176.2	58.9	0	0	0	111.5	L220 T223 F224 G238 Y239 T244 M245 I246 L250 V265 L269	L220-L242 HydrophobicContact CD1-CD1 4.42Å; T223-L242 HydrophobicContact CG2-CB 3.91Å; T223-L242 HydrophobicContact CG2-CD1 4.31Å; F224-L242 HydrophobicContact CE1-CD1 4.36Å; F224-L242 HydrophobicContact CE1-CD2 4.4Å; G238-L242 WeakPolarHBondContact O-CB 3.34Å; G238-L242 PolarHBondContact O-N 2.8Å; Y239-L242 HydrophobicContact CD1-CD2 4.26Å; Y239-L242 HydrophobicContact CE1-CD2 4.47Å; Y239-L242 PolarHBondContact O-N 3.12Å; L242-T244 PolarHBondContact O-N 3.37Å; L242-M245 PolarHBondContact O-N 3.34Å; L242-I246 HydrophobicContact CD1-CD1 4.36Å; L242-I246 HydrophobicContact CD1-CG1 4.42Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 HydrophobicContact CG-CG1 4.49Å; L242-I246 WeakPolarHBondContact O-CD1 3.23Å; L242-I246 WeakPolarHBondContact O-CG1 3.26Å; L242-I246 PolarHBondContact O-N 3.45Å; L242-L250 HydrophobicContact CD1-CD2 3.56Å; L242-V265 HydrophobicContact CD1-CG2 4.48Å; L242-L269 HydrophobicContact CD2-CD2 3.91Å; L242-L269 HydrophobicContact CD2-CG 4.44Å
243	S	98.3	Very high	94.5	Very high	15 Å²	15	23.5 Å²	23.5	11%	0.105	12%	0.118	C	C	.	.	H	α-helix	trans	-57.3	-46.8	174.6	-163.6	0	0	0	0	111.6	Y239 D240 V241 I246 S247 A287 T290	Y239-S243 WeakPolarHBondContact O-CB 3.45Å; Y239-S243 PolarHBondContact O-N 3.2Å; D240-S243 WeakPolarHBondContact O-CB 3.4Å; D240-S243 PolarHBondContact O-N 3.02Å; V241-S243 VanDerWaalsContact C-N 3.32Å; V241-S243 PolarHBondContact O-N 2.92Å; S243-I246 PolarHBondContact O-N 3.27Å; S243-S247 PolarHBondContact O-N 3.32Å; S243-S247 VanDerWaalsContact O-N 3.1Å; S243-A287 WeakPolarHBondContact OG-CA 3.34Å; S243-T290 PolarHBondContact OG-OG1 3.32Å
244	T	97.7	Very high	93.1	Very high	21 Å²	21	27.3 Å²	27.3	13%	0.129	14%	0.137	C	C	.	.	H	α-helix	trans	-63.6	-41.1	176.7	-62.1	0	0	0	0	111.8	Q200 V203 D240 V241 L242 S247 R248	Q200-T244 HydrophobicContact CG-CG2 3.99Å; Q200-T244 WeakPolarHBondContact CG-OG1 3.26Å; Q200-T244 PolarHBondContact NE2-OG1 3.23Å; V203-T244 HydrophobicContact CB-CG2 4.42Å; V203-T244 HydrophobicContact CG1-CG2 4.18Å; D240-T244 PolarHBondContact O-N 2.85Å; D240-T244 PolarHBondContact O-OG1 3.41Å; V241-T244 WeakPolarHBondContact O-CB 3.16Å; V241-T244 PolarHBondContact O-N 2.57Å; L242-T244 PolarHBondContact O-N 3.37Å; T244-S247 PolarHBondContact O-N 3.29Å; T244-S247 PolarHBondContact O-OG 3.25Å; T244-R248 WeakPolarHBondContact O-CG 3.41Å; T244-R248 PolarHBondContact O-N 2.96Å
245	M	96.7	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-40.5	177.5	-68.6	174.4	-179.5	0	0	111.8	L199 V203 F211 I219 T223 V241 L242 S247 R248 H249 L250	L199-M245 HydrophobicContact CD1-CE 4.4Å; L199-M245 HydrophobicContact CD2-CE 3.56Å; L199-M245 HydrophobicContact CG-CE 3.74Å; V203-M245 HydrophobicContact CG1-CG 4.1Å; V203-M245 HydrophobicContact CG2-CE 4.42Å; F211-M245 HydrophobicContact CE1-CB 4.42Å; F211-M245 HydrophobicContact CZ-CG 4.26Å; I219-M245 HydrophobicContact CG2-CE 3.18Å; I219-M245 HydrophobicContact CG2-SD 3.57Å; I219-M245 VanDerWaalsContact CG2-SD 3.57Å; T223-M245 HydrophobicContact CG2-SD 4.47Å; V241-M245 HydrophobicContact CG1-CE 3.29Å; V241-M245 HydrophobicContact CG1-SD 4.01Å; V241-M245 WeakPolarHBondContact O-CG 3.17Å; V241-M245 PolarHBondContact O-N 3.05Å; L242-M245 PolarHBondContact O-N 3.34Å; M245-S247 PolarHBondContact O-N 2.88Å; M245-R248 CarbonylContact O-C 3.56Å; M245-R248 WeakPolarHBondContact O-CA 3.49Å; M245-R248 PolarHBondContact O-N 3.33Å; M245-H249 PolarHBondContact O-N 3.18Å; M245-L250 VanDerWaalsContact C-CB 3.46Å; M245-L250 HydrophobicContact CB-CB 3.88Å; M245-L250 HydrophobicContact CB-CD1 4.4Å; M245-L250 HydrophobicContact CB-CD2 3.68Å; M245-L250 HydrophobicContact CB-CG 4.19Å; M245-L250 WeakPolarHBondContact O-CB 3.43Å; M245-L250 PolarHBondContact O-N 3.49Å
246	I	97.1	Very high	89.1	Confident	3 Å²	3	41 Å²	41	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-46.5	175	-68.1	162.2	0	0	0	110.6	L242 S243 R248 H249 V265 L269 A287 T290 L291 V294	L242-I246 HydrophobicContact CD1-CD1 4.36Å; L242-I246 HydrophobicContact CD1-CG1 4.42Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 HydrophobicContact CG-CG1 4.49Å; L242-I246 WeakPolarHBondContact O-CD1 3.23Å; L242-I246 WeakPolarHBondContact O-CG1 3.26Å; L242-I246 PolarHBondContact O-N 3.45Å; S243-I246 PolarHBondContact O-N 3.27Å; I246-R248 PolarHBondContact O-N 3.35Å; I246-H249 PolarHBondContact O-N 2.64Å; I246-V265 HydrophobicContact CD1-CG1 3.77Å; I246-V265 HydrophobicContact CG1-CG1 4.15Å; I246-L269 HydrophobicContact CD1-CD1 4.14Å; I246-A287 HydrophobicContact CD1-CB 4.48Å; I246-T290 HydrophobicContact CB-CG2 4.31Å; I246-T290 HydrophobicContact CG2-CG2 4.03Å; I246-L291 HydrophobicContact CD1-CB 4.48Å; I246-L291 HydrophobicContact CD1-CD1 4.42Å; I246-L291 HydrophobicContact CG1-CD1 4.45Å; I246-L291 HydrophobicContact CG2-CB 4.09Å; I246-L291 HydrophobicContact CG2-CD1 3.75Å; I246-V294 HydrophobicContact CG2-CG2 4.45Å
247	S	96.7	Very high	87.5	Confident	45 Å²	45	41.4 Å²	41.4	32%	0.315	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-20.1	176.8	75.8	0	0	0	0	113.5	S243 T244 M245 H249	S243-S247 PolarHBondContact O-N 3.32Å; S243-S247 VanDerWaalsContact O-N 3.1Å; T244-S247 PolarHBondContact O-N 3.29Å; T244-S247 PolarHBondContact O-OG 3.25Å; M245-S247 PolarHBondContact O-N 2.88Å; S247-H249 VanDerWaalsContact C-N 3.35Å
248	R	95.7	Very high	85.7	Confident	75 Å²	75	51.3 Å²	51.3	28%	0.283	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	19.5	171.7	-60.7	-57.2	-177.6	-153.4	-2.5	114	V203 S204 L206 S208 F211 T244 M245 I246	V203-R248 HydrophobicContact CG1-CB 3.98Å; V203-R248 HydrophobicContact CG1-CG 3.8Å; V203-R248 WeakPolarHBondContact O-CG 3.33Å; S204-R248 PolarHBondContact O-NE 3.04Å; S204-R248 PolarHBondContact O-NH2 3.01Å; L206-R248 WeakPolarHBondContact O-CD 3.48Å; L206-R248 PolarHBondContact O-NE 3.29Å; S208-R248 WeakPolarHBondContact OG-CD 3.37Å; F211-R248 HydrophobicContact CB-CB 4.32Å; F211-R248 HydrophobicContact CD1-CB 3.65Å; F211-R248 WeakPolarHBondContact CD1-O 3.25Å; F211-R248 HydrophobicContact CE1-CB 4.27Å; F211-R248 HydrophobicContact CG-CB 4.19Å; T244-R248 WeakPolarHBondContact O-CG 3.41Å; T244-R248 PolarHBondContact O-N 2.96Å; M245-R248 CarbonylContact O-C 3.56Å; M245-R248 WeakPolarHBondContact O-CA 3.49Å; M245-R248 PolarHBondContact O-N 3.33Å; I246-R248 PolarHBondContact O-N 3.35Å
249	H	94.6	Very high	84.4	Confident	53 Å²	53	57.1 Å²	57.1	25%	0.245	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	35.8	176.7	-56.6	178	0	0	0	113.9	I212 R216 M245 I246 S247 C251 Y252	I212-H249 HydrophobicContact CD1-CB 3.47Å; I212-H249 VanDerWaalsContact CD1-CB 3.47Å; I212-H249 WeakPolarHBondContact CD1-ND1 3.49Å; I212-H249 HydrophobicContact CG1-CB 3.69Å; R216-H249 PolarHBondContact NH1-O 2.53Å; M245-H249 PolarHBondContact O-N 3.18Å; I246-H249 PolarHBondContact O-N 2.64Å; S247-H249 VanDerWaalsContact C-N 3.35Å; H249-C251 PolarHBondContact O-N 2.71Å; H249-C251 VanDerWaalsContact O-N 3.11Å; H249-Y252 HydrophobicContact CB-CD1 4.44Å; H249-Y252 HydrophobicContact CB-CD2 3.62Å; H249-Y252 HydrophobicContact CB-CE2 4.19Å; H249-Y252 HydrophobicContact CB-CG 3.79Å; H249-Y252 WeakPolarHBondContact O-CB 3.47Å; H249-Y252 PolarHBondContact O-N 3.33Å
250	L	94.1	Very high	83.6	Confident	2 Å²	2	59 Å²	59	1%	0.01	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-39.4	171.9	172.6	66.9	0	0	0	113.4	F211 R216 L220 L242 M245 Y252 V265	F211-L250 HydrophobicContact CE1-CB 4.46Å; R216-L250 HydrophobicContact CB-CD1 4.02Å; R216-L250 HydrophobicContact CG-CD1 4.4Å; R216-L250 PolarHBondContact NH1-O 3.4Å; L220-L250 HydrophobicContact CD1-CD1 4.44Å; L220-L250 HydrophobicContact CD1-CD2 3.9Å; L242-L250 HydrophobicContact CD1-CD2 3.56Å; M245-L250 VanDerWaalsContact C-CB 3.46Å; M245-L250 HydrophobicContact CB-CB 3.88Å; M245-L250 HydrophobicContact CB-CD1 4.4Å; M245-L250 HydrophobicContact CB-CD2 3.68Å; M245-L250 HydrophobicContact CB-CG 4.19Å; M245-L250 WeakPolarHBondContact O-CB 3.43Å; M245-L250 PolarHBondContact O-N 3.49Å; L250-Y252 PolarHBondContact O-N 3.21Å; L250-V265 HydrophobicContact CD2-CG2 4.38Å
251	C	93.2	Very high	83.3	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.074	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.1	-177.7	-60.7	0	0	0	0	113.7	H249 Y262 P297	H249-C251 PolarHBondContact O-N 2.71Å; H249-C251 VanDerWaalsContact O-N 3.11Å; C251-Y262 HydrophobicContact CB-CD2 3.95Å; C251-P297 HydrophobicContact CB-CG 4.26Å; C251-P297 VanDerWaalsContact O-CB 3.31Å; C251-P297 WeakPolarHBondContact O-CB 3.4Å; C251-P297 WeakPolarHBondContact O-CG 3.3Å
252	Y	89.3	Confident	83.1	Confident	45 Å²	45	58.8 Å²	58.8	18%	0.176	31%	0.306	C	S	.	.			trans	-92.6	99.2	178.9	-72.7	-129.2	0	0	0	109	I212 R216 H249 L250 V294 D295 P296 P297	I212-Y252 HydrophobicContact CD1-CD1 4.47Å; I212-Y252 HydrophobicContact CD1-CG 4.49Å; R216-Y252 PolarHBondContact NH1-O 2.95Å; R216-Y252 VanDerWaalsContact NH1-O 3.09Å; R216-Y252 PolarHBondContact NH2-O 3.24Å; H249-Y252 HydrophobicContact CB-CD1 4.44Å; H249-Y252 HydrophobicContact CB-CD2 3.62Å; H249-Y252 HydrophobicContact CB-CE2 4.19Å; H249-Y252 HydrophobicContact CB-CG 3.79Å; H249-Y252 WeakPolarHBondContact O-CB 3.47Å; H249-Y252 PolarHBondContact O-N 3.33Å; L250-Y252 PolarHBondContact O-N 3.21Å; Y252-V294 HydrophobicContact CE2-CG1 4.08Å; Y252-D295 WeakPolarHBondContact CE2-O 3.48Å; Y252-D295 VanDerWaalsContact CZ-O 3.3Å; Y252-D295 WeakPolarHBondContact OH-CB 3.08Å; Y252-D295 PolarHBondContact OH-O 2.74Å; Y252-P296 PolarHBondContact OH-O 2.92Å; Y252-P297 HydrophobicContact CD2-CB 4.02Å; Y252-P297 HydrophobicContact CE2-CB 4.32Å; Y252-P297 HydrophobicContact CG-CB 4.23Å
253	T	73.2	Confident	82.9	Confident	63 Å²	63	61 Å²	61	39%	0.387	32%	0.318	S	S	.	.			trans	-166.1	145	159	-0.6	0	0	0	0	111.2	R216	R216-T253 PolarHBondContact NH2-OG1 3.24Å
254	E	59	Low	82.7	Confident	130 Å²	130	62.7 Å²	62.7	61%	0.607	33%	0.326	S	S	*	.			trans	44.4	111.8	168	-59	-71.8	148.7	0	0	116	E256 A257	E254-E256 PolarHBondContact O-N 3.04Å; E254-A257 PolarHBondContact O-N 3.45Å
255	P	50.1	Low	82.7	Confident	142 Å²	142	61.7 Å²	61.7	92%	0.922	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-17.3	165.2	-23.9	33.3	0	0	0	114.1
256	E	54.6	Low	82.7	Confident	170 Å²	170	61.7 Å²	61.7	79%	0.794	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	4.9	-178.2	-54.9	-165.6	178.9	0	0	114.6	E254 K258	E254-E256 PolarHBondContact O-N 3.04Å; E256-K258 PolarHBondContact O-N 3.29Å; E256-K258 VanDerWaalsContact O-N 3.13Å
257	A	61.1	Low	82.7	Confident	48 Å²	48	64.3 Å²	64.3	40%	0.397	34%	0.336	S	S	.	.			trans	-57.8	121.1	175.1	0	0	0	0	0	110.2	E254 E259	E254-A257 PolarHBondContact O-N 3.45Å; A257-E259 PolarHBondContact O-N 3.36Å; A257-E259 VanDerWaalsContact O-N 3.14Å
258	K	59	Low	82.8	Confident	215 Å²	215	62.5 Å²	62.5	94%	0.935	32%	0.322	S	S	*	.	S	Bend	trans	-56	-33.2	-176.9	-72.9	-178.4	-179.9	176.7	0	112.9	E256	E256-K258 PolarHBondContact O-N 3.29Å; E256-K258 VanDerWaalsContact O-N 3.13Å
259	E	69	Low	82.9	Confident	122 Å²	122	58.9 Å²	58.9	57%	0.57	31%	0.309	S	S	*	.	S	Bend	trans	-125.4	137.9	174.2	-67.1	-171.7	177.7	0	0	110	A257 T261 N264	A257-E259 PolarHBondContact O-N 3.36Å; A257-E259 VanDerWaalsContact O-N 3.14Å; E259-T261 PolarHBondContact O-N 2.67Å; E259-N264 PolarHBondContact OE2-ND2 2.95Å
260	P	82.6	Confident	83	Confident	43 Å²	43	57 Å²	57	28%	0.279	30%	0.302	S	S	.	.			trans	-73.7	102	-178.7	27.8	-32.2	0	0	0	110.6	Y262 I263 N264 F300	P260-Y262 PolarHBondContact O-N 2.94Å; P260-I263 HydrophobicContact CB-CB 4.37Å; P260-I263 HydrophobicContact CB-CD1 4.22Å; P260-I263 HydrophobicContact CB-CG1 4.09Å; P260-I263 HydrophobicContact CG-CB 3.94Å; P260-I263 HydrophobicContact CG-CD1 3.66Å; P260-I263 HydrophobicContact CG-CG1 3.87Å; P260-I263 PolarHBondContact O-N 3.43Å; P260-N264 PolarHBondContact O-N 3.45Å; P260-N264 VanDerWaalsContact O-N 3.07Å; P260-F300 HydrophobicContact CB-CE1 3.64Å; P260-F300 HydrophobicContact CB-CE2 4.18Å; P260-F300 HydrophobicContact CB-CZ 3.3Å; P260-F300 HydrophobicContact CG-CE1 4.41Å; P260-F300 HydrophobicContact CG-CZ 4.35Å
261	T	91.5	Very high	83.1	Confident	28 Å²	28	62.1 Å²	62.1	17%	0.172	32%	0.324	C	S	.	.	H	α-helix	trans	-45.7	-38.2	176.4	-59.3	0	0	0	0	112.3	L220 E259 I263 N264 V265	L220-T261 HydrophobicContact CD2-CG2 3.74Å; E259-T261 PolarHBondContact O-N 2.67Å; T261-I263 PolarHBondContact O-N 3.19Å; T261-N264 PolarHBondContact O-N 3.48Å; T261-V265 HydrophobicContact CG2-CG2 4.14Å; T261-V265 WeakPolarHBondContact O-CB 3.48Å; T261-V265 VanDerWaalsContact O-CG2 3.25Å; T261-V265 WeakPolarHBondContact O-CG2 3.13Å; T261-V265 PolarHBondContact O-N 3.49Å
262	Y	93.8	Very high	83.2	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-58.1	-46.5	177.5	-169.6	-124.6	0	0	0	113.4	C251 P260 A266 L291 P296 P297 F300 I305	C251-Y262 HydrophobicContact CB-CD2 3.95Å; P260-Y262 PolarHBondContact O-N 2.94Å; Y262-A266 PolarHBondContact O-N 3.38Å; Y262-L291 HydrophobicContact CD2-CD1 4.03Å; Y262-L291 HydrophobicContact CE2-CD1 3.67Å; Y262-L291 HydrophobicContact CE2-CD2 4.47Å; Y262-L291 HydrophobicContact CE2-CG 4.1Å; Y262-P296 HydrophobicContact CE1-CB 4.3Å; Y262-P297 HydrophobicContact CD1-CG 4.46Å; Y262-P297 HydrophobicContact CD2-CG 4.05Å; Y262-P297 HydrophobicContact CG-CG 3.87Å; Y262-F300 HydrophobicContact CD1-CB 3.71Å; Y262-F300 AromaticContact CD1-CD1 3.97Å; Y262-F300 HydrophobicContact CD1-CD1 3.97Å; Y262-F300 AromaticContact CD1-CG 3.88Å; Y262-F300 HydrophobicContact CD1-CG 3.88Å; Y262-F300 HydrophobicContact CE1-CB 4.03Å; Y262-I305 HydrophobicContact CD1-CG2 3.7Å; Y262-I305 HydrophobicContact CE1-CB 4.38Å; Y262-I305 HydrophobicContact CE1-CD1 4.06Å; Y262-I305 HydrophobicContact CE1-CG1 4.05Å; Y262-I305 HydrophobicContact CE1-CG2 3.47Å; Y262-I305 VanDerWaalsContact CE1-CG2 3.47Å; Y262-I305 HydrophobicContact CE2-CD1 4.17Å; Y262-I305 HydrophobicContact CG-CG2 4.4Å; Y262-I305 WeakPolarHBondContact OH-CD1 3.31Å
263	I	94.5	Very high	83.6	Confident	47 Å²	47	59.6 Å²	59.6	24%	0.241	31%	0.313	C	S	.	.	H	α-helix	trans	-71.3	-43.1	178	-58.6	-174.3	0	0	0	109.9	P260 T261 V265 A266 T267 F300 I308	P260-I263 HydrophobicContact CB-CB 4.37Å; P260-I263 HydrophobicContact CB-CD1 4.22Å; P260-I263 HydrophobicContact CB-CG1 4.09Å; P260-I263 HydrophobicContact CG-CB 3.94Å; P260-I263 HydrophobicContact CG-CD1 3.66Å; P260-I263 HydrophobicContact CG-CG1 3.87Å; P260-I263 PolarHBondContact O-N 3.43Å; T261-I263 PolarHBondContact O-N 3.19Å; I263-V265 VanDerWaalsContact C-N 3.32Å; I263-V265 PolarHBondContact O-N 2.96Å; I263-A266 WeakPolarHBondContact O-CB 3.46Å; I263-A266 PolarHBondContact O-N 3.48Å; I263-A266 VanDerWaalsContact O-N 3.1Å; I263-T267 PolarHBondContact O-N 2.99Å; I263-T267 PolarHBondContact O-OG1 2.94Å; I263-T267 VanDerWaalsContact O-OG1 3.1Å; I263-F300 HydrophobicContact CD1-CE1 4.04Å; I263-F300 HydrophobicContact CG1-CD1 4.5Å; I263-F300 HydrophobicContact CG1-CE1 4.17Å; I263-I308 HydrophobicContact CG2-CD1 3.81Å
264	N	94.3	Very high	84.6	Confident	51 Å²	51	57.9 Å²	57.9	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-41.9	178.7	-75.2	-3.9	0	0	0	112	F224 E259 P260 T261 T267 Q268	F224-N264 HydrophobicContact CE2-CB 4.38Å; E259-N264 PolarHBondContact OE2-ND2 2.95Å; P260-N264 PolarHBondContact O-N 3.45Å; P260-N264 VanDerWaalsContact O-N 3.07Å; T261-N264 PolarHBondContact O-N 3.48Å; N264-T267 PolarHBondContact O-N 3.29Å; N264-Q268 WeakPolarHBondContact O-CB 3.37Å; N264-Q268 PolarHBondContact O-N 3.47Å
265	V	96.7	Very high	86.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-46.4	173.1	169.2	0	0	0	0	110.6	L220 F224 L242 I246 L250 T261 I263 T267 Q268 L269 L291	L220-V265 HydrophobicContact CD1-CG2 4.36Å; F224-V265 HydrophobicContact CE1-CG2 4.32Å; F224-V265 HydrophobicContact CZ-CG2 4.05Å; L242-V265 HydrophobicContact CD1-CG2 4.48Å; I246-V265 HydrophobicContact CD1-CG1 3.77Å; I246-V265 HydrophobicContact CG1-CG1 4.15Å; L250-V265 HydrophobicContact CD2-CG2 4.38Å; T261-V265 HydrophobicContact CG2-CG2 4.14Å; T261-V265 WeakPolarHBondContact O-CB 3.48Å; T261-V265 VanDerWaalsContact O-CG2 3.25Å; T261-V265 WeakPolarHBondContact O-CG2 3.13Å; T261-V265 PolarHBondContact O-N 3.49Å; I263-V265 VanDerWaalsContact C-N 3.32Å; I263-V265 PolarHBondContact O-N 2.96Å; V265-T267 VanDerWaalsContact C-N 3.35Å; V265-T267 PolarHBondContact O-N 2.86Å; V265-Q268 PolarHBondContact O-N 3.37Å; V265-L269 HydrophobicContact CG1-CD1 3.9Å; V265-L269 HydrophobicContact CG1-CG 4.21Å; V265-L269 WeakPolarHBondContact O-CB 3.36Å; V265-L269 VanDerWaalsContact O-CG 3.25Å; V265-L269 WeakPolarHBondContact O-CG 3.21Å; V265-L269 PolarHBondContact O-N 3.04Å; V265-L291 HydrophobicContact CG1-CD1 4.4Å
266	A	97.5	Very high	87.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-42.9	176.7	0	0	0	0	0	112.6	Y262 I263 Q268 L269 A270 L291 I305 I308 L309	Y262-A266 PolarHBondContact O-N 3.38Å; I263-A266 WeakPolarHBondContact O-CB 3.46Å; I263-A266 PolarHBondContact O-N 3.48Å; I263-A266 VanDerWaalsContact O-N 3.1Å; A266-Q268 PolarHBondContact O-N 3.19Å; A266-L269 PolarHBondContact O-N 3.35Å; A266-A270 PolarHBondContact O-N 3.46Å; A266-L291 HydrophobicContact CB-CD2 4.37Å; A266-I305 HydrophobicContact CB-CB 3.81Å; A266-I305 HydrophobicContact CB-CG2 3.51Å; A266-I308 HydrophobicContact CB-CD1 4.31Å; A266-I308 HydrophobicContact CB-CG2 4.33Å; A266-L309 HydrophobicContact CB-CD1 4.08Å; A266-L309 HydrophobicContact CB-CG 4.18Å; A266-L309 WeakPolarHBondContact O-CD2 3.39Å
267	T	96.8	Very high	89.2	Confident	58 Å²	58	42.8 Å²	42.8	36%	0.356	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-41.5	175.7	-58	0	0	0	0	111.8	I263 N264 V265 A270 K271	I263-T267 PolarHBondContact O-N 2.99Å; I263-T267 PolarHBondContact O-OG1 2.94Å; I263-T267 VanDerWaalsContact O-OG1 3.1Å; N264-T267 PolarHBondContact O-N 3.29Å; V265-T267 VanDerWaalsContact C-N 3.35Å; V265-T267 PolarHBondContact O-N 2.86Å; T267-A270 PolarHBondContact O-N 3.11Å; T267-K271 PolarHBondContact O-N 3.05Å
268	Q	97.6	Very high	90.7	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-40.6	176.3	-176.2	54.8	53.8	0	0	111.9	F224 V227 Y239 N264 V265 A266 A270 K271 G272	F224-Q268 HydrophobicContact CD1-CG 4.06Å; F224-Q268 HydrophobicContact CE1-CB 4.02Å; F224-Q268 HydrophobicContact CE1-CG 3.95Å; F224-Q268 HydrophobicContact CE2-CB 4.45Å; F224-Q268 HydrophobicContact CZ-CB 3.96Å; F224-Q268 HydrophobicContact CZ-CG 4.34Å; V227-Q268 HydrophobicContact CG2-CG 3.67Å; V227-Q268 VanDerWaalsContact CG2-NE2 3.33Å; Y239-Q268 PolarHBondContact OH-NE2 2.96Å; Y239-Q268 PolarHBondContact OH-O 2.99Å; N264-Q268 WeakPolarHBondContact O-CB 3.37Å; N264-Q268 PolarHBondContact O-N 3.47Å; V265-Q268 PolarHBondContact O-N 3.37Å; A266-Q268 PolarHBondContact O-N 3.19Å; Q268-A270 VanDerWaalsContact C-N 3.33Å; Q268-A270 PolarHBondContact O-N 3.22Å; Q268-K271 WeakPolarHBondContact O-CB 3.22Å; Q268-K271 PolarHBondContact O-N 3Å; Q268-K271 VanDerWaalsContact O-N 3.16Å; Q268-G272 PolarHBondContact O-N 2.98Å; Q268-G272 VanDerWaalsContact O-N 3.14Å
269	L	98.4	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-38.6	175.7	-72.5	176.5	0	0	0	112.2	Y239 L242 I246 V265 A266 K271 G272 L273 A287 V288 L291 L309	Y239-L269 HydrophobicContact CD1-CD2 4Å; Y239-L269 HydrophobicContact CE1-CD2 4.14Å; L242-L269 HydrophobicContact CD2-CD2 3.91Å; L242-L269 HydrophobicContact CD2-CG 4.44Å; I246-L269 HydrophobicContact CD1-CD1 4.14Å; V265-L269 HydrophobicContact CG1-CD1 3.9Å; V265-L269 HydrophobicContact CG1-CG 4.21Å; V265-L269 WeakPolarHBondContact O-CB 3.36Å; V265-L269 VanDerWaalsContact O-CG 3.25Å; V265-L269 WeakPolarHBondContact O-CG 3.21Å; V265-L269 PolarHBondContact O-N 3.04Å; A266-L269 PolarHBondContact O-N 3.35Å; L269-K271 VanDerWaalsContact C-N 3.29Å; L269-K271 PolarHBondContact O-N 3.18Å; L269-G272 WeakPolarHBondContact O-CA 3.38Å; L269-G272 PolarHBondContact O-N 3.32Å; L269-L273 WeakPolarHBondContact O-CG 3.21Å; L269-L273 PolarHBondContact O-N 3.02Å; L269-A287 HydrophobicContact CD2-CB 3.45Å; L269-A287 VanDerWaalsContact CD2-CB 3.45Å; L269-V288 HydrophobicContact CB-CG2 3.7Å; L269-V288 HydrophobicContact CD1-CG2 3.89Å; L269-V288 HydrophobicContact CD2-CG2 4.3Å; L269-V288 HydrophobicContact CG-CG2 4.18Å; L269-L291 HydrophobicContact CD1-CB 4.22Å; L269-L291 HydrophobicContact CD1-CD2 3.68Å; L269-L309 HydrophobicContact CB-CD2 4Å
270	A	97.3	Very high	93.5	Very high	13 Å²	13	30.2 Å²	30.2	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-40.8	173.3	0	0	0	0	0	111.9	A266 T267 Q268 G272 L273 S274 I308 L309	A266-A270 PolarHBondContact O-N 3.46Å; T267-A270 PolarHBondContact O-N 3.11Å; Q268-A270 VanDerWaalsContact C-N 3.33Å; Q268-A270 PolarHBondContact O-N 3.22Å; A270-G272 VanDerWaalsContact C-N 3.33Å; A270-G272 PolarHBondContact O-N 3.18Å; A270-L273 PolarHBondContact O-N 3.3Å; A270-S274 PolarHBondContact O-N 3.34Å; A270-S274 VanDerWaalsContact O-N 3.13Å; A270-S274 PolarHBondContact O-OG 3.27Å; A270-S274 VanDerWaalsContact O-OG 3.06Å; A270-I308 HydrophobicContact CB-CG2 3.94Å; A270-L309 HydrophobicContact CB-CD2 4.27Å
271	K	95.6	Very high	94.2	Very high	110 Å²	110	28.2 Å²	28.2	48%	0.478	15%	0.148	S	C	.	.	H	α-helix	trans	-61.7	-40.1	173.5	-62.5	175.5	-176.6	174.3	0	112	T267 Q268 L269 S274 D275	T267-K271 PolarHBondContact O-N 3.05Å; Q268-K271 WeakPolarHBondContact O-CB 3.22Å; Q268-K271 PolarHBondContact O-N 3Å; Q268-K271 VanDerWaalsContact O-N 3.16Å; L269-K271 VanDerWaalsContact C-N 3.29Å; L269-K271 PolarHBondContact O-N 3.18Å; K271-S274 CarbonylContact O-C 3.29Å; K271-S274 WeakPolarHBondContact O-CA 3.13Å; K271-S274 WeakPolarHBondContact O-CB 3.47Å; K271-S274 PolarHBondContact O-N 3.1Å; K271-S274 VanDerWaalsContact O-N 3.12Å; K271-D275 PolarHBondContact O-N 2.96Å
272	G	96.4	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-39.6	176	0	0	0	0	0	113.5	Y239 Q268 L269 A270 S274 D275	Y239-G272 WeakPolarHBondContact OH-CA 3.13Å; Y239-G272 PolarHBondContact OH-N 3.12Å; Q268-G272 PolarHBondContact O-N 2.98Å; Q268-G272 VanDerWaalsContact O-N 3.14Å; L269-G272 WeakPolarHBondContact O-CA 3.38Å; L269-G272 PolarHBondContact O-N 3.32Å; A270-G272 VanDerWaalsContact C-N 3.33Å; A270-G272 PolarHBondContact O-N 3.18Å; G272-S274 PolarHBondContact O-N 3.27Å; G272-D275 VanDerWaalsContact O-CB 3.31Å; G272-D275 WeakPolarHBondContact O-CB 3.46Å; G272-D275 PolarHBondContact O-N 3.44Å; G272-D275 VanDerWaalsContact O-N 3.1Å
273	L	97	Very high	94.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-25.7	171.8	-67.5	-180	0	0	0	112	L269 A270 R281 A284 S285 V288 L309 A312 M313 N316	L269-L273 WeakPolarHBondContact O-CG 3.21Å; L269-L273 PolarHBondContact O-N 3.02Å; A270-L273 PolarHBondContact O-N 3.3Å; L273-R281 PolarHBondContact O-NH1 2.74Å; L273-A284 HydrophobicContact CD2-CB 4.38Å; L273-S285 VanDerWaalsContact CD2-OG 3.3Å; L273-S285 WeakPolarHBondContact CD2-OG 3.33Å; L273-V288 HydrophobicContact CD1-CG2 3.91Å; L273-V288 HydrophobicContact CD2-CG2 4.17Å; L273-V288 HydrophobicContact CG-CG2 4.07Å; L273-L309 HydrophobicContact CD1-CD2 4.43Å; L273-A312 HydrophobicContact CB-CB 3.87Å; L273-A312 HydrophobicContact CD1-CB 3.48Å; L273-A312 VanDerWaalsContact CD1-CB 3.48Å; L273-A312 HydrophobicContact CG-CB 4.35Å; L273-M313 HydrophobicContact CD1-CG 4.07Å; L273-N316 PolarHBondContact O-ND2 3.2Å; L273-N316 VanDerWaalsContact O-ND2 3.14Å; L273-N316 PolarHBondContact O-OD1 3.49Å
274	S	93.4	Very high	94.8	Very high	27 Å²	27	26.2 Å²	26.2	19%	0.189	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.8	174.3	-49.2	0	0	0	0	115	A270 K271 G272 R281 Y354 Q358	A270-S274 PolarHBondContact O-N 3.34Å; A270-S274 VanDerWaalsContact O-N 3.13Å; A270-S274 PolarHBondContact O-OG 3.27Å; A270-S274 VanDerWaalsContact O-OG 3.06Å; K271-S274 CarbonylContact O-C 3.29Å; K271-S274 WeakPolarHBondContact O-CA 3.13Å; K271-S274 WeakPolarHBondContact O-CB 3.47Å; K271-S274 PolarHBondContact O-N 3.1Å; K271-S274 VanDerWaalsContact O-N 3.12Å; G272-S274 PolarHBondContact O-N 3.27Å; S274-R281 VanDerWaalsContact C-CZ 3.46Å; S274-R281 PolarHBondContact O-NH1 2.92Å; S274-R281 VanDerWaalsContact O-NH1 3.15Å; S274-R281 PolarHBondContact O-NH2 3.07Å; S274-Y354 PolarHBondContact OG-OH 3.14Å; S274-Q358 PolarHBondContact OG-NE2 3.03Å
275	D	91.7	Very high	95	Very high	21 Å²	21	24 Å²	24	11%	0.112	13%	0.125	C	C	.	.			trans	-65.2	132.2	-171.7	-166.8	-73.9	0	0	0	114	R235 K271 G272 W277 V280 R281	R235-D275 IonicContact CZ-OD2 2.75Å; R235-D275 IonicContact NE-OD1 2.71Å; R235-D275 IonicContact NE-OD2 3.8Å; R235-D275 PolarHBondContact NE-OD2 2.71Å; R235-D275 IonicContact NH2-OD1 2.63Å; R235-D275 PolarHBondContact NH2-OD1 3.11Å; R235-D275 IonicContact NH2-OD2 2.97Å; R235-D275 PolarHBondContact NH2-OD2 3.21Å; K271-D275 PolarHBondContact O-N 2.96Å; G272-D275 VanDerWaalsContact O-CB 3.31Å; G272-D275 WeakPolarHBondContact O-CB 3.46Å; G272-D275 PolarHBondContact O-N 3.44Å; G272-D275 VanDerWaalsContact O-N 3.1Å; D275-W277 PolarHBondContact O-N 3.2Å; D275-W277 PolarHBondContact OD1-N 3.12Å; D275-V280 HydrophobicContact CB-CB 3.92Å; D275-V280 HydrophobicContact CB-CG1 3.71Å; D275-V280 VanDerWaalsContact CG-CG1 3.43Å; D275-V280 WeakPolarHBondContact OD2-CG1 3.36Å; D275-R281 VanDerWaalsContact C-CZ 3.5Å; D275-R281 HydrophobicContact CB-CG 4.27Å; D275-R281 WeakPolarHBondContact O-CD 3.49Å; D275-R281 WeakPolarHBondContact O-CG 3.43Å; D275-R281 PolarHBondContact O-NE 3.18Å; D275-R281 PolarHBondContact O-NH2 3.2Å
276	N	83.9	Confident	95.1	Very high	55 Å²	55	27.5 Å²	27.5	29%	0.294	14%	0.138	S	C	.	.	S	Bend	trans	-54.5	-28.4	-177.3	-72	-36.2	0	0	0	115.2	Y319 N363 L535	N276-Y319 PolarHBondContact O-OH 3.34Å; N276-N363 PolarHBondContact O-ND2 2.68Å; N276-N363 WeakPolarHBondContact OD1-CB 3.18Å; N276-L535 HydrophobicContact CB-CD2 4.11Å
277	W	86.2	Confident	95.2	Very high	50 Å²	50	27.5 Å²	27.5	19%	0.189	14%	0.138	C	C	.	.	S	Bend	trans	-89.4	126	179.9	-68.2	92	0	0	0	112.5	D185 T186 R232 R235 D275 Q279 V280 R281	D185-W277 PolarHBondContact OD2-NE1 3.28Å; T186-W277 HydrophobicContact CG2-CH2 4.24Å; T186-W277 HydrophobicContact CG2-CZ2 4.22Å; R232-W277 HydrophobicContact CB-CB 4.42Å; R232-W277 HydrophobicContact CB-CD2 4.38Å; R232-W277 HydrophobicContact CB-CG 3.91Å; R232-W277 HydrophobicContact CG-CG 4.47Å; R232-W277 VanDerWaalsContact NH1-CE3 3.33Å; R235-W277 VanDerWaalsContact NH2-CD1 3.31Å; D275-W277 PolarHBondContact O-N 3.2Å; D275-W277 PolarHBondContact OD1-N 3.12Å; W277-Q279 VanDerWaalsContact C-N 3.27Å; W277-Q279 PolarHBondContact O-N 3.45Å; W277-V280 HydrophobicContact CB-CB 4.32Å; W277-V280 HydrophobicContact CB-CG2 3.9Å; W277-V280 PolarHBondContact O-N 3.23Å; W277-V280 VanDerWaalsContact O-N 3.1Å; W277-R281 PolarHBondContact O-N 3.24Å
278	S	91.2	Very high	95.2	Very high	33 Å²	33	24.8 Å²	24.8	23%	0.231	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-33.8	-178.8	56.5	0	0	0	0	113.7	R281 M282 V324	S278-R281 PolarHBondContact O-N 3.12Å; S278-M282 VanDerWaalsContact O-CB 3.31Å; S278-M282 WeakPolarHBondContact O-CB 3.43Å; S278-M282 PolarHBondContact O-N 3.28Å; S278-V324 WeakPolarHBondContact O-CG2 3.34Å
279	Q	92.6	Very high	95.3	Very high	88 Å²	88	25.8 Å²	25.8	41%	0.411	13%	0.125	S	C	.	.	H	α-helix	trans	-66	-42.6	175.7	-68	177	-69.2	0	0	111.9	W277 M282 A283	W277-Q279 VanDerWaalsContact C-N 3.27Å; W277-Q279 PolarHBondContact O-N 3.45Å; Q279-M282 WeakPolarHBondContact O-CB 3.06Å; Q279-M282 PolarHBondContact O-N 2.89Å; Q279-A283 PolarHBondContact O-N 2.94Å
280	V	95	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67	-43.9	175	-173.7	0	0	0	0	110.5	R232 R235 E236 Y239 D275 W277 M282 A283 A284	R232-V280 HydrophobicContact CB-CG2 4.09Å; R232-V280 VanDerWaalsContact O-CG2 3.3Å; R232-V280 WeakPolarHBondContact O-CG2 3.45Å; R235-V280 HydrophobicContact CB-CG1 3.81Å; R235-V280 HydrophobicContact CB-CG2 4.14Å; E236-V280 HydrophobicContact CB-CG2 4.19Å; Y239-V280 HydrophobicContact CD2-CG1 3.7Å; Y239-V280 HydrophobicContact CE2-CG1 3.72Å; D275-V280 HydrophobicContact CB-CB 3.92Å; D275-V280 HydrophobicContact CB-CG1 3.71Å; D275-V280 VanDerWaalsContact CG-CG1 3.43Å; D275-V280 WeakPolarHBondContact OD2-CG1 3.36Å; W277-V280 HydrophobicContact CB-CB 4.32Å; W277-V280 HydrophobicContact CB-CG2 3.9Å; W277-V280 PolarHBondContact O-N 3.23Å; W277-V280 VanDerWaalsContact O-N 3.1Å; V280-M282 PolarHBondContact O-N 3.18Å; V280-A283 PolarHBondContact O-N 3.16Å; V280-A284 WeakPolarHBondContact O-CB 3.47Å; V280-A284 PolarHBondContact O-N 3.01Å
281	R	96.1	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.2	-39.9	172.4	-65.2	-169.2	-162	-90.9	-17	111.8	L273 S274 D275 W277 S278 S285 Y319 V324	L273-R281 PolarHBondContact O-NH1 2.74Å; S274-R281 VanDerWaalsContact C-CZ 3.46Å; S274-R281 PolarHBondContact O-NH1 2.92Å; S274-R281 VanDerWaalsContact O-NH1 3.15Å; S274-R281 PolarHBondContact O-NH2 3.07Å; D275-R281 VanDerWaalsContact C-CZ 3.5Å; D275-R281 HydrophobicContact CB-CG 4.27Å; D275-R281 WeakPolarHBondContact O-CD 3.49Å; D275-R281 WeakPolarHBondContact O-CG 3.43Å; D275-R281 PolarHBondContact O-NE 3.18Å; D275-R281 PolarHBondContact O-NH2 3.2Å; W277-R281 PolarHBondContact O-N 3.24Å; S278-R281 PolarHBondContact O-N 3.12Å; R281-S285 VanDerWaalsContact O-CB 3.31Å; R281-S285 WeakPolarHBondContact O-CB 3.42Å; R281-S285 PolarHBondContact O-N 2.71Å; R281-S285 PolarHBondContact O-OG 3.39Å; R281-Y319 PolarHBondContact NE-OH 3.23Å; R281-V324 HydrophobicContact CB-CG1 4.33Å; R281-V324 HydrophobicContact CB-CG2 4.22Å
282	M	97.5	Very high	95.4	Very high	36 Å²	36	21.7 Å²	21.7	18%	0.177	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-47.4	178	177.4	61.1	78.7	0	0	111.2	S278 Q279 V280 A284 S285 R286 G323 V324 Y327	S278-M282 VanDerWaalsContact O-CB 3.31Å; S278-M282 WeakPolarHBondContact O-CB 3.43Å; S278-M282 PolarHBondContact O-N 3.28Å; Q279-M282 WeakPolarHBondContact O-CB 3.06Å; Q279-M282 PolarHBondContact O-N 2.89Å; V280-M282 PolarHBondContact O-N 3.18Å; M282-A284 VanDerWaalsContact C-N 3.34Å; M282-A284 PolarHBondContact O-N 3.29Å; M282-S285 WeakPolarHBondContact O-CB 3.39Å; M282-S285 PolarHBondContact O-N 3.1Å; M282-S285 VanDerWaalsContact O-N 3.1Å; M282-R286 WeakPolarHBondContact O-CG 3.44Å; M282-R286 PolarHBondContact O-N 3.05Å; M282-G323 WeakPolarHBondContact CE-O 3.25Å; M282-V324 HydrophobicContact CB-CG2 4.14Å; M282-V324 HydrophobicContact CE-CG2 4.28Å; M282-Y327 HydrophobicContact CE-CG 4.45Å; M282-Y327 HydrophobicContact SD-CD1 4.24Å; M282-Y327 HydrophobicContact SD-CD2 4.19Å; M282-Y327 HydrophobicContact SD-CG 3.88Å
283	A	98.1	Very high	95.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-44.4	176	0	0	0	0	0	111.6	E236 Q279 V280 S285 R286 A287	E236-A283 HydrophobicContact CG-CB 4.01Å; Q279-A283 PolarHBondContact O-N 2.94Å; V280-A283 PolarHBondContact O-N 3.16Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3Å; A283-R286 WeakPolarHBondContact O-CB 3.44Å; A283-R286 PolarHBondContact O-N 3.32Å; A283-A287 PolarHBondContact O-N 2.63Å
284	A	98.4	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-38.8	172.8	0	0	0	0	0	112.4	Y239 L273 V280 M282 A287 V288	Y239-A284 HydrophobicContact CD1-CB 3.92Å; Y239-A284 HydrophobicContact CD2-CB 4.2Å; Y239-A284 HydrophobicContact CE1-CB 4.1Å; Y239-A284 HydrophobicContact CE2-CB 4.37Å; Y239-A284 HydrophobicContact CG-CB 4Å; L273-A284 HydrophobicContact CD2-CB 4.38Å; V280-A284 WeakPolarHBondContact O-CB 3.47Å; V280-A284 PolarHBondContact O-N 3.01Å; M282-A284 VanDerWaalsContact C-N 3.34Å; M282-A284 PolarHBondContact O-N 3.29Å; A284-A287 PolarHBondContact O-N 3.49Å; A284-V288 VanDerWaalsContact O-CG2 3.29Å; A284-V288 WeakPolarHBondContact O-CG2 3.38Å; A284-V288 PolarHBondContact O-N 2.8Å
285	S	98.4	Very high	95.4	Very high	5 Å²	5	32.4 Å²	32.4	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-39	176.1	-59.5	0	0	0	0	112	L273 R281 M282 A283 V288 R289	L273-S285 VanDerWaalsContact CD2-OG 3.3Å; L273-S285 WeakPolarHBondContact CD2-OG 3.33Å; R281-S285 VanDerWaalsContact O-CB 3.31Å; R281-S285 WeakPolarHBondContact O-CB 3.42Å; R281-S285 PolarHBondContact O-N 2.71Å; R281-S285 PolarHBondContact O-OG 3.39Å; M282-S285 WeakPolarHBondContact O-CB 3.39Å; M282-S285 PolarHBondContact O-N 3.1Å; M282-S285 VanDerWaalsContact O-N 3.1Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3Å; S285-V288 PolarHBondContact O-N 2.68Å; S285-R289 PolarHBondContact O-N 2.78Å
286	R	98.3	Very high	95.5	Very high	74 Å²	74	32.8 Å²	32.8	28%	0.279	16%	0.163	S	C	.	.	H	α-helix	trans	-61.1	-48.5	171.7	-67.8	-169.6	-68.3	-98.9	5.4	111.1	D240 M282 A283 V288 R289 T290 Y327	D240-R286 VanDerWaalsContact CG-NH2 3.33Å; D240-R286 IonicContact OD1-CZ 2.71Å; D240-R286 IonicContact OD1-NE 3.33Å; D240-R286 PolarHBondContact OD1-NE 2.95Å; D240-R286 IonicContact OD1-NH2 3.39Å; D240-R286 PolarHBondContact OD1-NH2 3.4Å; D240-R286 IonicContact OD2-NH2 3.44Å; D240-R286 PolarHBondContact OD2-NH2 2.77Å; D240-R286 VanDerWaalsContact OD2-NH2 3.17Å; M282-R286 WeakPolarHBondContact O-CG 3.44Å; M282-R286 PolarHBondContact O-N 3.05Å; A283-R286 WeakPolarHBondContact O-CB 3.44Å; A283-R286 PolarHBondContact O-N 3.32Å; R286-V288 VanDerWaalsContact C-N 3.31Å; R286-V288 PolarHBondContact O-N 2.9Å; R286-R289 WeakPolarHBondContact O-CB 3.37Å; R286-R289 PolarHBondContact O-N 3.5Å; R286-R289 VanDerWaalsContact O-N 3.14Å; R286-T290 PolarHBondContact O-N 2.86Å; R286-T290 PolarHBondContact O-OG1 3.34Å; R286-Y327 WeakPolarHBondContact CA-OH 3.29Å; R286-Y327 HydrophobicContact CG-CE1 4.3Å; R286-Y327 HydrophobicContact CG-CE2 4.31Å
287	A	98.5	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-38.1	178.5	0	0	0	0	0	112.7	S243 I246 L269 A283 A284 T290 L291	S243-A287 WeakPolarHBondContact OG-CA 3.34Å; I246-A287 HydrophobicContact CD1-CB 4.48Å; L269-A287 HydrophobicContact CD2-CB 3.45Å; L269-A287 VanDerWaalsContact CD2-CB 3.45Å; A283-A287 PolarHBondContact O-N 2.63Å; A284-A287 PolarHBondContact O-N 3.49Å; A287-T290 PolarHBondContact O-N 3.02Å; A287-L291 PolarHBondContact O-N 3.04Å
288	V	98.5	Very high	96	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-44.9	173.1	167.9	0	0	0	0	111.7	L269 L273 A284 S285 R286 T290 L291 F292 L309 M313	L269-V288 HydrophobicContact CB-CG2 3.7Å; L269-V288 HydrophobicContact CD1-CG2 3.89Å; L269-V288 HydrophobicContact CD2-CG2 4.3Å; L269-V288 HydrophobicContact CG-CG2 4.18Å; L273-V288 HydrophobicContact CD1-CG2 3.91Å; L273-V288 HydrophobicContact CD2-CG2 4.17Å; L273-V288 HydrophobicContact CG-CG2 4.07Å; A284-V288 VanDerWaalsContact O-CG2 3.29Å; A284-V288 WeakPolarHBondContact O-CG2 3.38Å; A284-V288 PolarHBondContact O-N 2.8Å; S285-V288 PolarHBondContact O-N 2.68Å; R286-V288 VanDerWaalsContact C-N 3.31Å; R286-V288 PolarHBondContact O-N 2.9Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 3.23Å; V288-L291 WeakPolarHBondContact O-CB 3.34Å; V288-L291 PolarHBondContact O-N 3.31Å; V288-F292 HydrophobicContact CG1-CD2 3.98Å; V288-F292 HydrophobicContact CG1-CE2 3.87Å; V288-F292 VanDerWaalsContact O-CD2 3.29Å; V288-F292 WeakPolarHBondContact O-CD2 3.46Å; V288-F292 PolarHBondContact O-N 3.14Å; V288-L309 HydrophobicContact CG1-CD1 4.36Å; V288-L309 HydrophobicContact CG2-CD2 4.1Å; V288-M313 HydrophobicContact CG1-CG 3.9Å; V288-M313 HydrophobicContact CG1-SD 3.64Å
289	R	98.3	Very high	95.8	Very high	27 Å²	27	36 Å²	36	10%	0.102	21%	0.207	C	C	.	.	H	α-helix	trans	-58.8	-48.2	175.3	-176.7	-177.3	-62.4	-163	-3.5	110.7	S285 R286 L291 F292 E293 Y327 D330 T331	S285-R289 PolarHBondContact O-N 2.78Å; R286-R289 WeakPolarHBondContact O-CB 3.37Å; R286-R289 PolarHBondContact O-N 3.5Å; R286-R289 VanDerWaalsContact O-N 3.14Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 3.15Å; R289-F292 PolarHBondContact O-N 2.93Å; R289-F292 VanDerWaalsContact O-N 3.09Å; R289-E293 WeakPolarHBondContact CD-OE1 3.33Å; R289-E293 HydrophobicContact CG-CG 4.33Å; R289-E293 WeakPolarHBondContact CG-OE1 3.12Å; R289-E293 WeakPolarHBondContact O-CG 3.38Å; R289-E293 PolarHBondContact O-N 3.11Å; R289-Y327 HydrophobicContact CB-CE1 4.26Å; R289-Y327 VanDerWaalsContact CD-OH 3.25Å; R289-Y327 WeakPolarHBondContact CD-OH 3.3Å; R289-Y327 VanDerWaalsContact CZ-CE2 3.42Å; R289-Y327 PolarHBondContact NE-OH 3.08Å; R289-Y327 VanDerWaalsContact NE-OH 3.08Å; R289-Y327 PolarHBondContact NH2-O 3.04Å; R289-D330 IonicContact CZ-OD2 3.7Å; R289-D330 IonicContact NH1-OD2 3.53Å; R289-D330 PolarHBondContact NH1-OD2 3.02Å; R289-D330 IonicContact NH2-OD2 3.33Å; R289-D330 PolarHBondContact NH2-OD2 3.31Å; R289-T331 HydrophobicContact CB-CG2 3.93Å; R289-T331 HydrophobicContact CG-CG2 4.2Å; R289-T331 PolarHBondContact NE-OG1 3.46Å; R289-T331 PolarHBondContact NH2-OG1 3.28Å
290	T	98.1	Very high	95.8	Very high	23 Å²	23	35 Å²	35	14%	0.141	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-39	177.1	-59.1	0	0	0	0	112.1	S243 I246 R286 A287 V288 F292 E293 V294	S243-T290 PolarHBondContact OG-OG1 3.32Å; I246-T290 HydrophobicContact CB-CG2 4.31Å; I246-T290 HydrophobicContact CG2-CG2 4.03Å; R286-T290 PolarHBondContact O-N 2.86Å; R286-T290 PolarHBondContact O-OG1 3.34Å; A287-T290 PolarHBondContact O-N 3.02Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 3.23Å; T290-F292 VanDerWaalsContact C-N 3.28Å; T290-F292 PolarHBondContact O-N 2.85Å; T290-E293 PolarHBondContact O-N 3.17Å; T290-V294 HydrophobicContact CG2-CG2 4.43Å; T290-V294 WeakPolarHBondContact O-CG2 3.29Å; T290-V294 PolarHBondContact O-N 3.37Å
291	L	98	Very high	95.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-34.9	176	-171.8	67.8	0	0	0	113	I246 Y262 V265 A266 L269 A287 V288 R289 I305 L309	I246-L291 HydrophobicContact CD1-CB 4.48Å; I246-L291 HydrophobicContact CD1-CD1 4.42Å; I246-L291 HydrophobicContact CG1-CD1 4.45Å; I246-L291 HydrophobicContact CG2-CB 4.09Å; I246-L291 HydrophobicContact CG2-CD1 3.75Å; Y262-L291 HydrophobicContact CD2-CD1 4.03Å; Y262-L291 HydrophobicContact CE2-CD1 3.67Å; Y262-L291 HydrophobicContact CE2-CD2 4.47Å; Y262-L291 HydrophobicContact CE2-CG 4.1Å; V265-L291 HydrophobicContact CG1-CD1 4.4Å; A266-L291 HydrophobicContact CB-CD2 4.37Å; L269-L291 HydrophobicContact CD1-CB 4.22Å; L269-L291 HydrophobicContact CD1-CD2 3.68Å; A287-L291 PolarHBondContact O-N 3.04Å; V288-L291 WeakPolarHBondContact O-CB 3.34Å; V288-L291 PolarHBondContact O-N 3.31Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 3.15Å; L291-I305 HydrophobicContact CD2-CD1 3.79Å; L291-I305 HydrophobicContact CG-CD1 4.21Å; L291-L309 HydrophobicContact CD2-CD1 3.84Å
292	F	97.7	Very high	95.8	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-82.2	-24.3	176.5	-77	-68.2	0	0	0	113.8	V288 R289 T290 R302 I305 Y306 L309 M313 V335	V288-F292 HydrophobicContact CG1-CD2 3.98Å; V288-F292 HydrophobicContact CG1-CE2 3.87Å; V288-F292 VanDerWaalsContact O-CD2 3.29Å; V288-F292 WeakPolarHBondContact O-CD2 3.46Å; V288-F292 PolarHBondContact O-N 3.14Å; R289-F292 PolarHBondContact O-N 2.93Å; R289-F292 VanDerWaalsContact O-N 3.09Å; T290-F292 VanDerWaalsContact C-N 3.28Å; T290-F292 PolarHBondContact O-N 2.85Å; F292-R302 HydrophobicContact CD1-CG 4.37Å; F292-R302 HydrophobicContact CE1-CB 4.49Å; F292-R302 PolarHBondContact O-NH2 3.36Å; F292-I305 HydrophobicContact CD1-CD1 4.39Å; F292-I305 HydrophobicContact CE1-CD1 3.75Å; F292-I305 HydrophobicContact CE1-CG1 4.16Å; F292-I305 HydrophobicContact CZ-CD1 3.9Å; F292-I305 HydrophobicContact CZ-CG1 4.31Å; F292-Y306 HydrophobicContact CD1-CE1 4.3Å; F292-Y306 AromaticContact CE1-CD1 3.8Å; F292-Y306 HydrophobicContact CE1-CD1 3.8Å; F292-Y306 AromaticContact CE1-CE1 3.46Å; F292-Y306 HydrophobicContact CE1-CE1 3.46Å; F292-Y306 VanDerWaalsContact CE1-CE1 3.46Å; F292-Y306 HydrophobicContact CZ-CD1 4.04Å; F292-Y306 HydrophobicContact CZ-CE1 4.07Å; F292-L309 HydrophobicContact CE2-CB 4.19Å; F292-L309 HydrophobicContact CE2-CD1 3.79Å; F292-L309 HydrophobicContact CZ-CB 4.18Å; F292-L309 HydrophobicContact CZ-CD1 3.97Å; F292-M313 HydrophobicContact CD2-SD 4.26Å; F292-M313 HydrophobicContact CE2-CE 4.3Å; F292-M313 HydrophobicContact CE2-SD 3.51Å; F292-M313 VanDerWaalsContact CE2-SD 3.51Å; F292-M313 HydrophobicContact CZ-SD 4.27Å; F292-V335 HydrophobicContact CB-CG2 3.64Å; F292-V335 HydrophobicContact CD1-CG1 3.77Å; F292-V335 HydrophobicContact CD1-CG2 4.32Å; F292-V335 HydrophobicContact CD2-CG1 4.03Å; F292-V335 HydrophobicContact CD2-CG2 3.65Å; F292-V335 HydrophobicContact CE1-CG1 3.85Å; F292-V335 HydrophobicContact CE2-CG1 4.1Å; F292-V335 HydrophobicContact CE2-CG2 4.39Å; F292-V335 HydrophobicContact CG-CB 4.42Å; F292-V335 HydrophobicContact CG-CG1 3.87Å; F292-V335 HydrophobicContact CG-CG2 3.61Å; F292-V335 HydrophobicContact CZ-CG1 4.01Å
293	E	96.9	Very high	95.6	Very high	120 Å²	120	44.6 Å²	44.6	56%	0.561	25%	0.25	S	C	*	.	H	α-helix	trans	-76.8	-25.8	175.6	-73.6	173	168.7	0	0	112.9	R289 T290	R289-E293 WeakPolarHBondContact CD-OE1 3.33Å; R289-E293 HydrophobicContact CG-CG 4.33Å; R289-E293 WeakPolarHBondContact CG-OE1 3.12Å; R289-E293 WeakPolarHBondContact O-CG 3.38Å; R289-E293 PolarHBondContact O-N 3.11Å; T290-E293 PolarHBondContact O-N 3.17Å
294	V	95.4	Very high	95.5	Very high	23 Å²	23	47.7 Å²	47.7	14%	0.139	27%	0.266	C	S	.	.	S	Bend	trans	-87	137.8	172.4	179.4	0	0	0	0	109.7	I246 Y252 T290	I246-V294 HydrophobicContact CG2-CG2 4.45Å; Y252-V294 HydrophobicContact CE2-CG1 4.08Å; T290-V294 HydrophobicContact CG2-CG2 4.43Å; T290-V294 WeakPolarHBondContact O-CG2 3.29Å; T290-V294 PolarHBondContact O-N 3.37Å
295	D	94.2	Very high	95.4	Very high	112 Å²	112	47.7 Å²	47.7	60%	0.599	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-60.6	140.4	175.7	-72.8	-34.2	0	0	0	110.6	Y252	Y252-D295 WeakPolarHBondContact CE2-O 3.48Å; Y252-D295 VanDerWaalsContact CZ-O 3.3Å; Y252-D295 WeakPolarHBondContact OH-CB 3.08Å; Y252-D295 PolarHBondContact OH-O 2.74Å
296	P	93.6	Very high	95.4	Very high	29 Å²	29	48.5 Å²	48.5	19%	0.188	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56.2	147.6	175.4	-24.7	34.1	0	0	0	112	Y252 Y262 F300 R302	Y252-P296 PolarHBondContact OH-O 2.92Å; Y262-P296 HydrophobicContact CE1-CB 4.3Å; P296-F300 HydrophobicContact CB-CB 4.38Å; P296-F300 WeakPolarHBondContact CB-O 3.48Å; P296-R302 HydrophobicContact CG-CG 3.94Å
297	P	91.8	Very high	95.3	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.052	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-63.2	155.8	175.2	26.6	-32.3	0	0	0	111.4	C251 Y252 Y262 G299 F300	C251-P297 HydrophobicContact CB-CG 4.26Å; C251-P297 VanDerWaalsContact O-CB 3.31Å; C251-P297 WeakPolarHBondContact O-CB 3.4Å; C251-P297 WeakPolarHBondContact O-CG 3.3Å; Y252-P297 HydrophobicContact CD2-CB 4.02Å; Y252-P297 HydrophobicContact CE2-CB 4.32Å; Y252-P297 HydrophobicContact CG-CB 4.23Å; Y262-P297 HydrophobicContact CD1-CG 4.46Å; Y262-P297 HydrophobicContact CD2-CG 4.05Å; Y262-P297 HydrophobicContact CG-CG 3.87Å; P297-G299 PolarHBondContact O-N 3.08Å; P297-F300 HydrophobicContact CG-CB 4.23Å; P297-F300 HydrophobicContact CG-CD2 3.91Å; P297-F300 HydrophobicContact CG-CG 4.33Å; P297-F300 PolarHBondContact O-N 3.13Å
298	P	88.3	Confident	95.3	Very high	114 Å²	114	48.8 Å²	48.8	74%	0.74	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	130.9	-179.7	-26.7	34.7	0	0	0	112.7
299	G	88.9	Confident	95.3	Very high	83 Å²	83	48.7 Å²	48.7	86%	0.856	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-10.3	-177.5	0	0	0	0	0	114.9	P297	P297-G299 PolarHBondContact O-N 3.08Å
300	F	92.6	Very high	95.2	Very high	66 Å²	66	47.4 Å²	47.4	29%	0.289	27%	0.272	S	S	.	.			trans	-112.5	158.8	175	-66.3	-87.3	0	0	0	111.6	P260 Y262 I263 P296 P297 D304	P260-F300 HydrophobicContact CB-CE1 3.64Å; P260-F300 HydrophobicContact CB-CE2 4.18Å; P260-F300 HydrophobicContact CB-CZ 3.3Å; P260-F300 HydrophobicContact CG-CE1 4.41Å; P260-F300 HydrophobicContact CG-CZ 4.35Å; Y262-F300 HydrophobicContact CD1-CB 3.71Å; Y262-F300 AromaticContact CD1-CD1 3.97Å; Y262-F300 HydrophobicContact CD1-CD1 3.97Å; Y262-F300 AromaticContact CD1-CG 3.88Å; Y262-F300 HydrophobicContact CD1-CG 3.88Å; Y262-F300 HydrophobicContact CE1-CB 4.03Å; I263-F300 HydrophobicContact CD1-CE1 4.04Å; I263-F300 HydrophobicContact CG1-CD1 4.5Å; I263-F300 HydrophobicContact CG1-CE1 4.17Å; P296-F300 HydrophobicContact CB-CB 4.38Å; P296-F300 WeakPolarHBondContact CB-O 3.48Å; P297-F300 HydrophobicContact CG-CB 4.23Å; P297-F300 HydrophobicContact CG-CD2 3.91Å; P297-F300 HydrophobicContact CG-CG 4.33Å; P297-F300 PolarHBondContact O-N 3.13Å; F300-D304 HydrophobicContact CD1-CB 4.17Å
301	T	94.4	Very high	95.2	Very high	69 Å²	69	46.4 Å²	46.4	42%	0.423	27%	0.265	S	S	.	.			trans	-130.4	169.7	174	68	0	0	0	0	108.8	D303 D304	T301-D303 PolarHBondContact O-N 3.49Å; T301-D303 PolarHBondContact OG1-N 3.32Å; T301-D304 WeakPolarHBondContact CA-OD2 3.02Å; T301-D304 PolarHBondContact N-OD2 3.29Å; T301-D304 PolarHBondContact O-N 3.28Å; T301-D304 VanDerWaalsContact O-OD2 3.12Å; T301-D304 PolarHBondContact OG1-OD2 2.87Å
302	R	95	Very high	95.2	Very high	88 Å²	88	46.2 Å²	46.2	33%	0.332	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24.1	174.1	-64.7	-178.6	174.4	121.7	0	112.2	F292 P296 D304 I305 Y306	F292-R302 HydrophobicContact CD1-CG 4.37Å; F292-R302 HydrophobicContact CE1-CB 4.49Å; F292-R302 PolarHBondContact O-NH2 3.36Å; P296-R302 HydrophobicContact CG-CG 3.94Å; R302-D304 PolarHBondContact O-N 3.49Å; R302-I305 VanDerWaalsContact O-CG1 3.32Å; R302-I305 WeakPolarHBondContact O-CG1 3.39Å; R302-I305 PolarHBondContact O-N 3.06Å; R302-I305 VanDerWaalsContact O-N 3.13Å; R302-Y306 HydrophobicContact CB-CD2 4.45Å; R302-Y306 HydrophobicContact CB-CE1 3.86Å; R302-Y306 HydrophobicContact CB-CE2 3.76Å; R302-Y306 VanDerWaalsContact CB-CZ 3.42Å; R302-Y306 WeakPolarHBondContact CB-OH 3.34Å; R302-Y306 WeakPolarHBondContact CD-OH 3.19Å; R302-Y306 WeakPolarHBondContact O-CD2 3.19Å; R302-Y306 PolarHBondContact O-N 3.4Å
303	D	95	Very high	95.2	Very high	82 Å²	82	46 Å²	46	44%	0.439	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.9	177.3	-71.3	-31	0	0	0	112.5	T301 I305 Y306 P307 Y347	T301-D303 PolarHBondContact O-N 3.49Å; T301-D303 PolarHBondContact OG1-N 3.32Å; D303-I305 VanDerWaalsContact C-N 3.25Å; D303-I305 PolarHBondContact O-N 2.71Å; D303-Y306 HydrophobicContact CB-CD2 4.46Å; D303-Y306 WeakPolarHBondContact OD1-CD2 3.24Å; D303-Y306 WeakPolarHBondContact OD1-CE2 3.35Å; D303-P307 WeakPolarHBondContact O-CD 3.4Å; D303-Y347 WeakPolarHBondContact CB-OH 3.48Å; D303-Y347 PolarHBondContact OD1-OH 3.24Å; D303-Y347 VanDerWaalsContact OD1-OH 3.04Å
304	D	94.6	Very high	95.2	Very high	64 Å²	64	40.3 Å²	40.3	34%	0.342	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-68.1	-23.9	178.7	-60.1	-67.8	0	0	0	113.2	F300 T301 R302	F300-D304 HydrophobicContact CD1-CB 4.17Å; T301-D304 WeakPolarHBondContact CA-OD2 3.02Å; T301-D304 PolarHBondContact N-OD2 3.29Å; T301-D304 PolarHBondContact O-N 3.28Å; T301-D304 VanDerWaalsContact O-OD2 3.12Å; T301-D304 PolarHBondContact OG1-OD2 2.87Å; R302-D304 PolarHBondContact O-N 3.49Å
305	I	96.7	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-13	-177.6	63.2	164.7	0	0	0	113.5	Y262 A266 L291 F292 R302 D303 I308 L309	Y262-I305 HydrophobicContact CD1-CG2 3.7Å; Y262-I305 HydrophobicContact CE1-CB 4.38Å; Y262-I305 HydrophobicContact CE1-CD1 4.06Å; Y262-I305 HydrophobicContact CE1-CG1 4.05Å; Y262-I305 HydrophobicContact CE1-CG2 3.47Å; Y262-I305 VanDerWaalsContact CE1-CG2 3.47Å; Y262-I305 HydrophobicContact CE2-CD1 4.17Å; Y262-I305 HydrophobicContact CG-CG2 4.4Å; Y262-I305 WeakPolarHBondContact OH-CD1 3.31Å; A266-I305 HydrophobicContact CB-CB 3.81Å; A266-I305 HydrophobicContact CB-CG2 3.51Å; L291-I305 HydrophobicContact CD2-CD1 3.79Å; L291-I305 HydrophobicContact CG-CD1 4.21Å; F292-I305 HydrophobicContact CD1-CD1 4.39Å; F292-I305 HydrophobicContact CE1-CD1 3.75Å; F292-I305 HydrophobicContact CE1-CG1 4.16Å; F292-I305 HydrophobicContact CZ-CD1 3.9Å; F292-I305 HydrophobicContact CZ-CG1 4.31Å; R302-I305 VanDerWaalsContact O-CG1 3.32Å; R302-I305 WeakPolarHBondContact O-CG1 3.39Å; R302-I305 PolarHBondContact O-N 3.06Å; R302-I305 VanDerWaalsContact O-N 3.13Å; D303-I305 VanDerWaalsContact C-N 3.25Å; D303-I305 PolarHBondContact O-N 2.71Å; I305-I308 WeakPolarHBondContact O-CB 3.23Å; I305-I308 PolarHBondContact O-N 3.08Å; I305-I308 VanDerWaalsContact O-N 3.08Å; I305-L309 HydrophobicContact CB-CD1 4.47Å; I305-L309 HydrophobicContact CD1-CD1 3.97Å; I305-L309 PolarHBondContact O-N 3.5Å
306	Y	97.6	Very high	95.5	Very high	23 Å²	23	33.9 Å²	33.9	9%	0.09	20%	0.202	C	C	.	.	H	α-helix	trans	-54.2	-46.9	174	-76.1	-28.1	0	0	0	114.5	F292 R302 D303 I308 L309 L310 V335 L343 Y347	F292-Y306 HydrophobicContact CD1-CE1 4.3Å; F292-Y306 AromaticContact CE1-CD1 3.8Å; F292-Y306 HydrophobicContact CE1-CD1 3.8Å; F292-Y306 AromaticContact CE1-CE1 3.46Å; F292-Y306 HydrophobicContact CE1-CE1 3.46Å; F292-Y306 VanDerWaalsContact CE1-CE1 3.46Å; F292-Y306 HydrophobicContact CZ-CD1 4.04Å; F292-Y306 HydrophobicContact CZ-CE1 4.07Å; R302-Y306 HydrophobicContact CB-CD2 4.45Å; R302-Y306 HydrophobicContact CB-CE1 3.86Å; R302-Y306 HydrophobicContact CB-CE2 3.76Å; R302-Y306 VanDerWaalsContact CB-CZ 3.42Å; R302-Y306 WeakPolarHBondContact CB-OH 3.34Å; R302-Y306 WeakPolarHBondContact CD-OH 3.19Å; R302-Y306 WeakPolarHBondContact O-CD2 3.19Å; R302-Y306 PolarHBondContact O-N 3.4Å; D303-Y306 HydrophobicContact CB-CD2 4.46Å; D303-Y306 WeakPolarHBondContact OD1-CD2 3.24Å; D303-Y306 WeakPolarHBondContact OD1-CE2 3.35Å; Y306-I308 PolarHBondContact O-N 3.05Å; Y306-I308 VanDerWaalsContact O-N 3.12Å; Y306-L309 PolarHBondContact O-N 3.49Å; Y306-L310 HydrophobicContact CD1-CD1 3.91Å; Y306-L310 HydrophobicContact CD1-CD2 4.03Å; Y306-L310 HydrophobicContact CD1-CG 3.82Å; Y306-L310 HydrophobicContact CE1-CD2 4.48Å; Y306-L310 HydrophobicContact CG-CD1 3.85Å; Y306-L310 HydrophobicContact CG-CG 4.17Å; Y306-L310 VanDerWaalsContact O-CB 3.22Å; Y306-L310 WeakPolarHBondContact O-CB 3.41Å; Y306-L310 WeakPolarHBondContact O-CG 3.45Å; Y306-L310 PolarHBondContact O-N 2.9Å; Y306-V335 HydrophobicContact CE1-CG1 4.06Å; Y306-L343 HydrophobicContact CD2-CD2 4.3Å; Y306-L343 HydrophobicContact CE2-CD2 4.13Å; Y306-Y347 VanDerWaalsContact CB-CE2 3.49Å; Y306-Y347 AromaticContact CD2-CE2 3.9Å; Y306-Y347 HydrophobicContact CD2-CE2 3.9Å; Y306-Y347 HydrophobicContact CG-CE2 4.14Å
307	P	97.3	Very high	95.6	Very high	38 Å²	38	33.8 Å²	33.8	25%	0.247	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-18	177.7	24	-33.4	0	0	0	113.6	D303 P311 Y347 P350	D303-P307 WeakPolarHBondContact O-CD 3.4Å; P307-P311 WeakPolarHBondContact O-CG 3.26Å; P307-Y347 HydrophobicContact CB-CD1 3.86Å; P307-Y347 HydrophobicContact CB-CG 4.23Å; P307-Y347 HydrophobicContact CG-CD1 4.18Å; P307-Y347 HydrophobicContact CG-CE1 4.36Å; P307-P350 HydrophobicContact CB-CB 4.21Å; P307-P350 HydrophobicContact CB-CG 3.99Å; P307-P350 WeakPolarHBondContact O-CB 3.44Å
308	I	97.7	Very high	95.8	Very high	41 Å²	41	36.9 Å²	36.9	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-90.7	-48.2	-179.8	-56.6	171.2	0	0	0	110.6	I263 A266 A270 I305 Y306	I263-I308 HydrophobicContact CG2-CD1 3.81Å; A266-I308 HydrophobicContact CB-CD1 4.31Å; A266-I308 HydrophobicContact CB-CG2 4.33Å; A270-I308 HydrophobicContact CB-CG2 3.94Å; I305-I308 WeakPolarHBondContact O-CB 3.23Å; I305-I308 PolarHBondContact O-N 3.08Å; I305-I308 VanDerWaalsContact O-N 3.08Å; Y306-I308 PolarHBondContact O-N 3.05Å; Y306-I308 VanDerWaalsContact O-N 3.12Å
309	L	98.3	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-96	-33.9	-169.6	-66.8	179.7	0	0	0	114	A266 L269 A270 L273 V288 L291 F292 I305 Y306 A312 M313	A266-L309 HydrophobicContact CB-CD1 4.08Å; A266-L309 HydrophobicContact CB-CG 4.18Å; A266-L309 WeakPolarHBondContact O-CD2 3.39Å; L269-L309 HydrophobicContact CB-CD2 4Å; A270-L309 HydrophobicContact CB-CD2 4.27Å; L273-L309 HydrophobicContact CD1-CD2 4.43Å; V288-L309 HydrophobicContact CG1-CD1 4.36Å; V288-L309 HydrophobicContact CG2-CD2 4.1Å; L291-L309 HydrophobicContact CD2-CD1 3.84Å; F292-L309 HydrophobicContact CE2-CB 4.19Å; F292-L309 HydrophobicContact CE2-CD1 3.79Å; F292-L309 HydrophobicContact CZ-CB 4.18Å; F292-L309 HydrophobicContact CZ-CD1 3.97Å; I305-L309 HydrophobicContact CB-CD1 4.47Å; I305-L309 HydrophobicContact CD1-CD1 3.97Å; I305-L309 PolarHBondContact O-N 3.5Å; Y306-L309 PolarHBondContact O-N 3.49Å; L309-A312 PolarHBondContact O-N 3.01Å; L309-M313 HydrophobicContact CB-SD 4.17Å; L309-M313 WeakPolarHBondContact O-CB 3.39Å; L309-M313 WeakPolarHBondContact O-CG 3.01Å; L309-M313 PolarHBondContact O-N 3.31Å
310	L	97.7	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-42.5	-179.8	-67.9	-179.4	0	0	0	112.5	Y306 A312 M313 C314 W332 T336 L343 L344 Y347	Y306-L310 HydrophobicContact CD1-CD1 3.91Å; Y306-L310 HydrophobicContact CD1-CD2 4.03Å; Y306-L310 HydrophobicContact CD1-CG 3.82Å; Y306-L310 HydrophobicContact CE1-CD2 4.48Å; Y306-L310 HydrophobicContact CG-CD1 3.85Å; Y306-L310 HydrophobicContact CG-CG 4.17Å; Y306-L310 VanDerWaalsContact O-CB 3.22Å; Y306-L310 WeakPolarHBondContact O-CB 3.41Å; Y306-L310 WeakPolarHBondContact O-CG 3.45Å; Y306-L310 PolarHBondContact O-N 2.9Å; L310-A312 PolarHBondContact O-N 3.03Å; L310-M313 PolarHBondContact O-N 2.71Å; L310-C314 WeakPolarHBondContact O-CB 3.36Å; L310-C314 PolarHBondContact O-N 2.99Å; L310-W332 HydrophobicContact CB-CZ3 4.38Å; L310-W332 HydrophobicContact CD2-CZ3 4.02Å; L310-T336 HydrophobicContact CD2-CG2 4.23Å; L310-L343 HydrophobicContact CD1-CB 3.82Å; L310-L344 HydrophobicContact CB-CD1 4.49Å; L310-Y347 HydrophobicContact CD1-CD2 4.11Å
311	P	97.8	Very high	96	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-56.3	-52.2	175.7	-28.6	38.2	0	0	0	112.7	P307 C314 L315 A351 Y354 Y355	P307-P311 WeakPolarHBondContact O-CG 3.26Å; P311-C314 WeakPolarHBondContact O-CB 3.12Å; P311-C314 PolarHBondContact O-N 3.39Å; P311-L315 PolarHBondContact O-N 2.7Å; P311-A351 HydrophobicContact CB-CB 4.33Å; P311-A351 HydrophobicContact CG-CB 4.02Å; P311-Y354 HydrophobicContact CB-CD1 3.66Å; P311-Y354 HydrophobicContact CB-CE1 4.46Å; P311-Y354 HydrophobicContact CB-CG 3.74Å; P311-Y355 HydrophobicContact CB-CE1 4.42Å; P311-Y355 WeakPolarHBondContact O-CE1 3.29Å
312	A	97.5	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-41.5	-178.2	0	0	0	0	0	112.8	L273 L309 L310 C314 L315 N316 Y354	L273-A312 HydrophobicContact CB-CB 3.87Å; L273-A312 HydrophobicContact CD1-CB 3.48Å; L273-A312 VanDerWaalsContact CD1-CB 3.48Å; L273-A312 HydrophobicContact CG-CB 4.35Å; L309-A312 PolarHBondContact O-N 3.01Å; L310-A312 PolarHBondContact O-N 3.03Å; A312-C314 VanDerWaalsContact C-N 3.35Å; A312-L315 PolarHBondContact O-N 2.88Å; A312-N316 PolarHBondContact O-N 3.16Å; A312-N316 VanDerWaalsContact O-N 3.08Å; A312-Y354 VanDerWaalsContact CA-CE1 3.48Å; A312-Y354 HydrophobicContact CB-CE1 3.95Å; A312-Y354 HydrophobicContact CB-CE2 4.16Å; A312-Y354 WeakPolarHBondContact CB-OH 3.48Å
313	M	97.6	Very high	95.8	Very high	5 Å²	5	29 Å²	29	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-42.2	174.8	-71.1	171.8	60.6	0	0	112.1	L273 V288 F292 L309 L310 N316 T331 W332 V335	L273-M313 HydrophobicContact CD1-CG 4.07Å; V288-M313 HydrophobicContact CG1-CG 3.9Å; V288-M313 HydrophobicContact CG1-SD 3.64Å; F292-M313 HydrophobicContact CD2-SD 4.26Å; F292-M313 HydrophobicContact CE2-CE 4.3Å; F292-M313 HydrophobicContact CE2-SD 3.51Å; F292-M313 VanDerWaalsContact CE2-SD 3.51Å; F292-M313 HydrophobicContact CZ-SD 4.27Å; L309-M313 HydrophobicContact CB-SD 4.17Å; L309-M313 WeakPolarHBondContact O-CB 3.39Å; L309-M313 WeakPolarHBondContact O-CG 3.01Å; L309-M313 PolarHBondContact O-N 3.31Å; L310-M313 PolarHBondContact O-N 2.71Å; M313-N316 PolarHBondContact O-N 3.36Å; M313-T331 HydrophobicContact CE-CG2 3.81Å; M313-W332 HydrophobicContact CB-CE3 4.2Å; M313-W332 HydrophobicContact CB-CZ3 4.47Å; M313-V335 HydrophobicContact CE-CB 4.03Å; M313-V335 HydrophobicContact CE-CG1 4.2Å; M313-V335 HydrophobicContact CE-CG2 3.96Å
314	C	97.5	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-46.6	178.3	178.8	0	0	0	0	110.7	L310 P311 A312 N316 R317 W332 Y355	L310-C314 WeakPolarHBondContact O-CB 3.36Å; L310-C314 PolarHBondContact O-N 2.99Å; P311-C314 WeakPolarHBondContact O-CB 3.12Å; P311-C314 PolarHBondContact O-N 3.39Å; A312-C314 VanDerWaalsContact C-N 3.35Å; C314-N316 PolarHBondContact O-N 2.63Å; C314-R317 WeakPolarHBondContact O-CB 3.39Å; C314-R317 PolarHBondContact O-N 2.92Å; C314-R317 PolarHBondContact O-NE 3.3Å; C314-R317 PolarHBondContact SG-NH2 3.06Å; C314-W332 HydrophobicContact CB-CE3 4.26Å; C314-W332 HydrophobicContact CB-CH2 3.86Å; C314-W332 HydrophobicContact CB-CZ3 3.57Å; C314-Y355 WeakPolarHBondContact CB-OH 3.22Å; C314-Y355 PolarHBondContact SG-OH 3.39Å
315	L	97.7	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-42.9	178.6	-176.1	152.3	0	0	0	112.3	P311 A312 R317 Y318 Y319 Y354 Y355 Q358 A369 A370 S373	P311-L315 PolarHBondContact O-N 2.7Å; A312-L315 PolarHBondContact O-N 2.88Å; L315-R317 PolarHBondContact O-N 3.34Å; L315-Y318 PolarHBondContact O-N 3.25Å; L315-Y319 PolarHBondContact O-N 3.35Å; L315-Y354 HydrophobicContact CB-CE1 4.31Å; L315-Y354 HydrophobicContact CD1-CE1 4.07Å; L315-Y355 HydrophobicContact CB-CD1 4.38Å; L315-Y355 HydrophobicContact CB-CE1 4.1Å; L315-Y355 HydrophobicContact CD1-CD1 4.12Å; L315-Q358 HydrophobicContact CD1-CB 3.68Å; L315-Q358 HydrophobicContact CD1-CG 3.87Å; L315-A369 HydrophobicContact CD2-CB 3.74Å; L315-A369 HydrophobicContact CG-CB 4Å; L315-A370 HydrophobicContact CD1-CB 3.96Å; L315-S373 WeakPolarHBondContact CA-OG 3.44Å
316	N	97.4	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-11.8	-178.6	-76.3	0.9	0	0	0	113.8	L273 A312 M313 C314 Y318 Y319 V324 R325 S328	L273-N316 PolarHBondContact O-ND2 3.2Å; L273-N316 VanDerWaalsContact O-ND2 3.14Å; L273-N316 PolarHBondContact O-OD1 3.49Å; A312-N316 PolarHBondContact O-N 3.16Å; A312-N316 VanDerWaalsContact O-N 3.08Å; M313-N316 PolarHBondContact O-N 3.36Å; C314-N316 PolarHBondContact O-N 2.63Å; N316-Y318 PolarHBondContact O-N 3.49Å; N316-Y319 PolarHBondContact O-N 2.82Å; N316-V324 HydrophobicContact CB-CG1 4.15Å; N316-R325 WeakPolarHBondContact O-CA 3.46Å; N316-S328 WeakPolarHBondContact CB-OG 3.4Å
317	R	97.2	Very high	95.9	Very high	27 Å²	27	32.4 Å²	32.4	10%	0.102	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.6	168	-61.6	-175.3	-65	140.9	1	114.2	C314 L315 R325 Q329 W332 E376	C314-R317 WeakPolarHBondContact O-CB 3.39Å; C314-R317 PolarHBondContact O-N 2.92Å; C314-R317 PolarHBondContact O-NE 3.3Å; C314-R317 PolarHBondContact SG-NH2 3.06Å; L315-R317 PolarHBondContact O-N 3.34Å; R317-R325 WeakPolarHBondContact O-CG 3.49Å; R317-Q329 HydrophobicContact CB-CG 3.86Å; R317-Q329 HydrophobicContact CG-CG 3.88Å; R317-Q329 PolarHBondContact O-NE2 3.45Å; R317-Q329 VanDerWaalsContact O-NE2 3.16Å; R317-W332 HydrophobicContact CG-CB 4.38Å; R317-E376 IonicContact CZ-OE1 3.02Å; R317-E376 IonicContact CZ-OE2 3.26Å; R317-E376 IonicContact NH1-OE1 2.7Å; R317-E376 PolarHBondContact NH1-OE1 3.08Å; R317-E376 IonicContact NH1-OE2 2.69Å; R317-E376 PolarHBondContact NH1-OE2 3.21Å; R317-E376 IonicContact NH2-OE1 3.49Å; R317-E376 IonicContact NH2-OE2 3.64Å; R317-E376 PolarHBondContact NH2-OE2 3.46Å
318	Y	95.9	Very high	95.9	Very high	73 Å²	73	30.9 Å²	30.9	29%	0.286	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	1	176.2	-63.4	-75.3	0	0	0	113.1	L315 N316 V320 A372 E376	L315-Y318 PolarHBondContact O-N 3.25Å; N316-Y318 PolarHBondContact O-N 3.49Å; Y318-V320 PolarHBondContact O-N 3.43Å; Y318-A372 HydrophobicContact CD1-CB 3.76Å; Y318-A372 HydrophobicContact CD2-CB 4.35Å; Y318-A372 HydrophobicContact CE1-CB 4.4Å; Y318-A372 HydrophobicContact CG-CB 3.73Å; Y318-E376 HydrophobicContact CE2-CB 4.41Å; Y318-E376 WeakPolarHBondContact CE2-OE2 3.18Å; Y318-E376 PolarHBondContact OH-OE1 2.91Å; Y318-E376 PolarHBondContact OH-OE2 3.49Å
319	Y	94.2	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.			trans	-65.6	137.9	178.4	-167.4	-112.1	0	0	0	110.7	N276 R281 L315 N316 A321 V324 R325 N363 A365 V366	N276-Y319 PolarHBondContact O-OH 3.34Å; R281-Y319 PolarHBondContact NE-OH 3.23Å; L315-Y319 PolarHBondContact O-N 3.35Å; N316-Y319 PolarHBondContact O-N 2.82Å; Y319-A321 VanDerWaalsContact C-N 3.25Å; Y319-A321 HydrophobicContact CD1-CB 3.72Å; Y319-A321 HydrophobicContact CE1-CB 3.68Å; Y319-A321 PolarHBondContact O-N 2.9Å; Y319-V324 HydrophobicContact CD1-CB 4.08Å; Y319-V324 HydrophobicContact CD1-CG1 4.06Å; Y319-V324 HydrophobicContact CD1-CG2 4.41Å; Y319-R325 WeakPolarHBondContact O-CB 2.98Å; Y319-N363 PolarHBondContact OH-ND2 3.45Å; Y319-A365 HydrophobicContact CE2-CB 3.94Å; Y319-V366 HydrophobicContact CE2-CG2 3.84Å
320	V	88.9	Confident	95.9	Very high	72 Å²	72	35.4 Å²	35.4	44%	0.436	18%	0.18	S	C	.	.	S	Bend	trans	-61.4	-30.6	-171.1	72.4	0	0	0	0	113.6	Y318 E322 A365 C532	Y318-V320 PolarHBondContact O-N 3.43Å; V320-E322 PolarHBondContact O-N 3.39Å; V320-E322 VanDerWaalsContact O-N 3.09Å; V320-A365 HydrophobicContact CB-CB 4.23Å; V320-A365 HydrophobicContact CG1-CB 3.54Å; V320-C532 HydrophobicContact CG1-CB 3.48Å; V320-C532 VanDerWaalsContact CG1-CB 3.48Å
321	A	89.6	Confident	96	Very high	15 Å²	15	35.6 Å²	35.6	12%	0.124	18%	0.181	C	C	.	.	S	Bend	trans	-70	109.7	-179.7	0	0	0	0	0	110.2	Y319 G323 V324 R325	Y319-A321 VanDerWaalsContact C-N 3.25Å; Y319-A321 HydrophobicContact CD1-CB 3.72Å; Y319-A321 HydrophobicContact CE1-CB 3.68Å; Y319-A321 PolarHBondContact O-N 2.9Å; A321-G323 VanDerWaalsContact C-N 3.29Å; A321-G323 PolarHBondContact O-N 2.9Å; A321-G323 VanDerWaalsContact O-N 3.17Å; A321-V324 HydrophobicContact CB-CB 4.4Å; A321-V324 HydrophobicContact CB-CG2 4.24Å; A321-V324 PolarHBondContact O-N 3.44Å; A321-R325 PolarHBondContact O-N 2.98Å
322	E	91.5	Very high	96	Very high	123 Å²	123	36.7 Å²	36.7	58%	0.575	19%	0.185	S	C	*	.	H	α-helix	trans	-53.4	-42.4	-171.1	-178.4	171.1	-148.9	0	0	113.5	V320 V324 R325 I326	V320-E322 PolarHBondContact O-N 3.39Å; V320-E322 VanDerWaalsContact O-N 3.09Å; E322-V324 PolarHBondContact O-N 3.29Å; E322-R325 WeakPolarHBondContact O-CB 3.34Å; E322-R325 PolarHBondContact O-N 2.99Å; E322-R325 IonicContact OE1-NH2 3.93Å; E322-I326 HydrophobicContact CG-CD1 3.55Å; E322-I326 HydrophobicContact CG-CG1 4.17Å; E322-I326 WeakPolarHBondContact O-CG1 3.26Å; E322-I326 PolarHBondContact O-N 3.09Å
323	G	93.3	Very high	96	Very high	44 Å²	44	40.5 Å²	40.5	45%	0.454	21%	0.21	S	C	.	.	H	α-helix	trans	-57.1	-51.7	176.1	0	0	0	0	0	112.2	M282 A321 R325 Y327	M282-G323 WeakPolarHBondContact CE-O 3.25Å; A321-G323 VanDerWaalsContact C-N 3.29Å; A321-G323 PolarHBondContact O-N 2.9Å; A321-G323 VanDerWaalsContact O-N 3.17Å; G323-R325 VanDerWaalsContact C-N 3.29Å; G323-R325 PolarHBondContact O-N 3.06Å; G323-Y327 VanDerWaalsContact O-CB 3.25Å; G323-Y327 WeakPolarHBondContact O-CB 3.36Å; G323-Y327 PolarHBondContact O-N 3.35Å
324	V	95.7	Very high	96	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-42.2	179.5	176.5	0	0	0	0	110.1	S278 R281 M282 N316 Y319 A321 E322 S328	S278-V324 WeakPolarHBondContact O-CG2 3.34Å; R281-V324 HydrophobicContact CB-CG1 4.33Å; R281-V324 HydrophobicContact CB-CG2 4.22Å; M282-V324 HydrophobicContact CB-CG2 4.14Å; M282-V324 HydrophobicContact CE-CG2 4.28Å; N316-V324 HydrophobicContact CB-CG1 4.15Å; Y319-V324 HydrophobicContact CD1-CB 4.08Å; Y319-V324 HydrophobicContact CD1-CG1 4.06Å; Y319-V324 HydrophobicContact CD1-CG2 4.41Å; A321-V324 HydrophobicContact CB-CB 4.4Å; A321-V324 HydrophobicContact CB-CG2 4.24Å; A321-V324 PolarHBondContact O-N 3.44Å; E322-V324 PolarHBondContact O-N 3.29Å; V324-S328 WeakPolarHBondContact O-CB 3.44Å; V324-S328 PolarHBondContact O-N 3.5Å; V324-S328 PolarHBondContact O-OG 2.77Å
325	R	96.6	Very high	95.9	Very high	96 Å²	96	47.7 Å²	47.7	36%	0.362	24%	0.239	S	C	.	.	H	α-helix	trans	-59.3	-56.8	179.7	-170	174.3	58.5	135.7	0.9	112.5	N316 R317 Y319 A321 E322 G323 Y327 S328 Q329	N316-R325 WeakPolarHBondContact O-CA 3.46Å; R317-R325 WeakPolarHBondContact O-CG 3.49Å; Y319-R325 WeakPolarHBondContact O-CB 2.98Å; A321-R325 PolarHBondContact O-N 2.98Å; E322-R325 WeakPolarHBondContact O-CB 3.34Å; E322-R325 PolarHBondContact O-N 2.99Å; E322-R325 IonicContact OE1-NH2 3.93Å; G323-R325 VanDerWaalsContact C-N 3.29Å; G323-R325 PolarHBondContact O-N 3.06Å; R325-Y327 PolarHBondContact O-N 3.11Å; R325-S328 PolarHBondContact O-N 3.06Å; R325-Q329 VanDerWaalsContact O-CG 3.25Å; R325-Q329 WeakPolarHBondContact O-CG 3.45Å; R325-Q329 PolarHBondContact O-N 2.76Å
326	I	97.4	Very high	95.9	Very high	88 Å²	88	48 Å²	48	45%	0.451	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-44.1	-177.6	-66.4	174.2	0	0	0	110.1	E322 S328 Q329 D330	E322-I326 HydrophobicContact CG-CD1 3.55Å; E322-I326 HydrophobicContact CG-CG1 4.17Å; E322-I326 WeakPolarHBondContact O-CG1 3.26Å; E322-I326 PolarHBondContact O-N 3.09Å; I326-S328 VanDerWaalsContact C-N 3.33Å; I326-S328 PolarHBondContact O-N 3.16Å; I326-Q329 PolarHBondContact O-N 2.95Å; I326-D330 PolarHBondContact O-N 3.37Å
327	Y	97.9	Very high	95.8	Very high	54 Å²	54	55.6 Å²	55.6	21%	0.212	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-40.1	178.2	-168.5	-85.3	0	0	0	112.1	M282 R286 R289 G323 R325 T331	M282-Y327 HydrophobicContact CE-CG 4.45Å; M282-Y327 HydrophobicContact SD-CD1 4.24Å; M282-Y327 HydrophobicContact SD-CD2 4.19Å; M282-Y327 HydrophobicContact SD-CG 3.88Å; R286-Y327 WeakPolarHBondContact CA-OH 3.29Å; R286-Y327 HydrophobicContact CG-CE1 4.3Å; R286-Y327 HydrophobicContact CG-CE2 4.31Å; R289-Y327 HydrophobicContact CB-CE1 4.26Å; R289-Y327 VanDerWaalsContact CD-OH 3.25Å; R289-Y327 WeakPolarHBondContact CD-OH 3.3Å; R289-Y327 VanDerWaalsContact CZ-CE2 3.42Å; R289-Y327 PolarHBondContact NE-OH 3.08Å; R289-Y327 VanDerWaalsContact NE-OH 3.08Å; R289-Y327 PolarHBondContact NH2-O 3.04Å; G323-Y327 VanDerWaalsContact O-CB 3.25Å; G323-Y327 WeakPolarHBondContact O-CB 3.36Å; G323-Y327 PolarHBondContact O-N 3.35Å; R325-Y327 PolarHBondContact O-N 3.11Å; Y327-T331 WeakPolarHBondContact O-CB 3.35Å; Y327-T331 PolarHBondContact O-N 3.28Å; Y327-T331 PolarHBondContact O-OG1 2.84Å
328	S	97.5	Very high	95.7	Very high	5 Å²	5	57.7 Å²	57.7	4%	0.035	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-35.9	177.6	-59.7	0	0	0	0	111.9	N316 V324 R325 I326 T331 W332	N316-S328 WeakPolarHBondContact CB-OG 3.4Å; V324-S328 WeakPolarHBondContact O-CB 3.44Å; V324-S328 PolarHBondContact O-N 3.5Å; V324-S328 PolarHBondContact O-OG 2.77Å; R325-S328 PolarHBondContact O-N 3.06Å; I326-S328 VanDerWaalsContact C-N 3.33Å; I326-S328 PolarHBondContact O-N 3.16Å; S328-T331 PolarHBondContact O-N 3.4Å; S328-W332 VanDerWaalsContact O-CB 3.24Å; S328-W332 WeakPolarHBondContact O-CB 3.24Å; S328-W332 PolarHBondContact O-N 3.49Å
329	Q	97.8	Very high	95.7	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-46.5	174	-72.9	170.6	1.9	0	0	111.9	R317 R325 I326 W332 C333	R317-Q329 HydrophobicContact CB-CG 3.86Å; R317-Q329 HydrophobicContact CG-CG 3.88Å; R317-Q329 PolarHBondContact O-NE2 3.45Å; R317-Q329 VanDerWaalsContact O-NE2 3.16Å; R325-Q329 VanDerWaalsContact O-CG 3.25Å; R325-Q329 WeakPolarHBondContact O-CG 3.45Å; R325-Q329 PolarHBondContact O-N 2.76Å; I326-Q329 PolarHBondContact O-N 2.95Å; Q329-W332 PolarHBondContact O-N 3.1Å; Q329-C333 PolarHBondContact O-N 3.14Å; Q329-C333 PolarHBondContact O-SG 3.21Å; Q329-C333 VanDerWaalsContact O-SG 3.39Å
330	D	98.1	Very high	95.8	Very high	58 Å²	58	59.4 Å²	59.4	31%	0.31	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-44.4	174.3	173	59.2	0	0	0	111.3	R289 I326 W332 C333 R334	R289-D330 IonicContact CZ-OD2 3.7Å; R289-D330 IonicContact NH1-OD2 3.53Å; R289-D330 PolarHBondContact NH1-OD2 3.02Å; R289-D330 IonicContact NH2-OD2 3.33Å; R289-D330 PolarHBondContact NH2-OD2 3.31Å; I326-D330 PolarHBondContact O-N 3.37Å; D330-W332 VanDerWaalsContact C-N 3.34Å; D330-W332 PolarHBondContact O-N 3.4Å; D330-C333 PolarHBondContact O-N 3.02Å; D330-R334 VanDerWaalsContact CG-NE 3.31Å; D330-R334 WeakPolarHBondContact O-CG 3.5Å; D330-R334 PolarHBondContact O-N 3.07Å; D330-R334 IonicContact OD1-CZ 3.54Å; D330-R334 IonicContact OD1-NE 2.71Å; D330-R334 PolarHBondContact OD1-NE 3.1Å; D330-R334 IonicContact OD1-NH2 2.74Å; D330-R334 PolarHBondContact OD1-NH2 3.28Å; D330-R334 IonicContact OD2-CZ 2.64Å; D330-R334 IonicContact OD2-NE 3.49Å; D330-R334 PolarHBondContact OD2-NE 3.46Å; D330-R334 IonicContact OD2-NH2 3.74Å
331	T	98	Very high	96.2	Very high	4 Å²	4	63 Å²	63	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-43.6	176.2	-50.4	0	0	0	0	111.3	R289 M313 Y327 S328 C333 R334 V335	R289-T331 HydrophobicContact CB-CG2 3.93Å; R289-T331 HydrophobicContact CG-CG2 4.2Å; R289-T331 PolarHBondContact NE-OG1 3.46Å; R289-T331 PolarHBondContact NH2-OG1 3.28Å; M313-T331 HydrophobicContact CE-CG2 3.81Å; Y327-T331 WeakPolarHBondContact O-CB 3.35Å; Y327-T331 PolarHBondContact O-N 3.28Å; Y327-T331 PolarHBondContact O-OG1 2.84Å; S328-T331 PolarHBondContact O-N 3.4Å; T331-C333 PolarHBondContact O-N 3.35Å; T331-R334 PolarHBondContact O-N 3.03Å; T331-V335 HydrophobicContact CG2-CG2 4.03Å; T331-V335 WeakPolarHBondContact O-CB 3.47Å; T331-V335 WeakPolarHBondContact O-CG2 3.44Å; T331-V335 PolarHBondContact O-N 2.87Å
332	W	97.8	Very high	96.5	Very high	23 Å²	23	68.3 Å²	68.3	9%	0.087	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-45.9	177.6	-179.7	-91.3	0	0	0	111.9	L310 M313 C314 R317 S328 Q329 D330 R334 V335 T336 L344	L310-W332 HydrophobicContact CB-CZ3 4.38Å; L310-W332 HydrophobicContact CD2-CZ3 4.02Å; M313-W332 HydrophobicContact CB-CE3 4.2Å; M313-W332 HydrophobicContact CB-CZ3 4.47Å; C314-W332 HydrophobicContact CB-CE3 4.26Å; C314-W332 HydrophobicContact CB-CH2 3.86Å; C314-W332 HydrophobicContact CB-CZ3 3.57Å; R317-W332 HydrophobicContact CG-CB 4.38Å; S328-W332 VanDerWaalsContact O-CB 3.24Å; S328-W332 WeakPolarHBondContact O-CB 3.24Å; S328-W332 PolarHBondContact O-N 3.49Å; Q329-W332 PolarHBondContact O-N 3.1Å; D330-W332 VanDerWaalsContact C-N 3.34Å; D330-W332 PolarHBondContact O-N 3.4Å; W332-R334 VanDerWaalsContact C-N 3.34Å; W332-R334 PolarHBondContact O-N 3.46Å; W332-V335 PolarHBondContact O-N 3.13Å; W332-T336 HydrophobicContact CD2-CG2 3.87Å; W332-T336 HydrophobicContact CE3-CG2 4.17Å; W332-T336 HydrophobicContact CG-CG2 4.33Å; W332-T336 HydrophobicContact CH2-CG2 4.3Å; W332-T336 HydrophobicContact CZ2-CG2 4.01Å; W332-T336 HydrophobicContact CZ3-CG2 4.36Å; W332-T336 WeakPolarHBondContact O-CB 3.18Å; W332-T336 WeakPolarHBondContact O-CG2 3.34Å; W332-T336 PolarHBondContact O-N 3.41Å; W332-T336 PolarHBondContact O-OG1 3.16Å; W332-L344 HydrophobicContact CH2-CB 4.49Å; W332-L344 HydrophobicContact CH2-CD1 4.42Å
333	C	97.6	Very high	96.7	Very high	80 Å²	80	63.5 Å²	63.5	54%	0.541	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-42.2	176.7	-70.5	0	0	0	0	112.1	Q329 D330 T331 Q337	Q329-C333 PolarHBondContact O-N 3.14Å; Q329-C333 PolarHBondContact O-SG 3.21Å; Q329-C333 VanDerWaalsContact O-SG 3.39Å; D330-C333 PolarHBondContact O-N 3.02Å; T331-C333 PolarHBondContact O-N 3.35Å; C333-Q337 VanDerWaalsContact O-CA 3.29Å; C333-Q337 WeakPolarHBondContact O-CA 3.34Å; C333-Q337 PolarHBondContact O-N 3.38Å
334	R	97.5	Very high	96.9	Very high	138 Å²	138	61.8 Å²	61.8	52%	0.521	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-46.5	178.4	-68.5	169.9	-174	-104.3	-4.7	112.9	D330 T331 W332 Q337	D330-R334 VanDerWaalsContact CG-NE 3.31Å; D330-R334 WeakPolarHBondContact O-CG 3.5Å; D330-R334 PolarHBondContact O-N 3.07Å; D330-R334 IonicContact OD1-CZ 3.54Å; D330-R334 IonicContact OD1-NE 2.71Å; D330-R334 PolarHBondContact OD1-NE 3.1Å; D330-R334 IonicContact OD1-NH2 2.74Å; D330-R334 PolarHBondContact OD1-NH2 3.28Å; D330-R334 IonicContact OD2-CZ 2.64Å; D330-R334 IonicContact OD2-NE 3.49Å; D330-R334 PolarHBondContact OD2-NE 3.46Å; D330-R334 IonicContact OD2-NH2 3.74Å; T331-R334 PolarHBondContact O-N 3.03Å; W332-R334 VanDerWaalsContact C-N 3.34Å; W332-R334 PolarHBondContact O-N 3.46Å; R334-Q337 VanDerWaalsContact O-CG 3.29Å; R334-Q337 WeakPolarHBondContact O-CG 3.15Å
335	V	97.1	Very high	96.9	Very high	18 Å²	18	62.3 Å²	62.3	11%	0.109	31%	0.309	C	S	.	.	H	α-helix	trans	-74.3	-41.5	-174.9	172.6	0	0	0	0	111.4	F292 Y306 M313 T331 W332	F292-V335 HydrophobicContact CB-CG2 3.64Å; F292-V335 HydrophobicContact CD1-CG1 3.77Å; F292-V335 HydrophobicContact CD1-CG2 4.32Å; F292-V335 HydrophobicContact CD2-CG1 4.03Å; F292-V335 HydrophobicContact CD2-CG2 3.65Å; F292-V335 HydrophobicContact CE1-CG1 3.85Å; F292-V335 HydrophobicContact CE2-CG1 4.1Å; F292-V335 HydrophobicContact CE2-CG2 4.39Å; F292-V335 HydrophobicContact CG-CB 4.42Å; F292-V335 HydrophobicContact CG-CG1 3.87Å; F292-V335 HydrophobicContact CG-CG2 3.61Å; F292-V335 HydrophobicContact CZ-CG1 4.01Å; Y306-V335 HydrophobicContact CE1-CG1 4.06Å; M313-V335 HydrophobicContact CE-CB 4.03Å; M313-V335 HydrophobicContact CE-CG1 4.2Å; M313-V335 HydrophobicContact CE-CG2 3.96Å; T331-V335 HydrophobicContact CG2-CG2 4.03Å; T331-V335 WeakPolarHBondContact O-CB 3.47Å; T331-V335 WeakPolarHBondContact O-CG2 3.44Å; T331-V335 PolarHBondContact O-N 2.87Å; W332-V335 PolarHBondContact O-N 3.13Å
336	T	96.6	Very high	96.9	Very high	6 Å²	6	63 Å²	63	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-89.7	-17.4	-176.9	68.6	0	0	0	0	113.6	L310 W332 G338 E339 L343	L310-T336 HydrophobicContact CD2-CG2 4.23Å; W332-T336 HydrophobicContact CD2-CG2 3.87Å; W332-T336 HydrophobicContact CE3-CG2 4.17Å; W332-T336 HydrophobicContact CG-CG2 4.33Å; W332-T336 HydrophobicContact CH2-CG2 4.3Å; W332-T336 HydrophobicContact CZ2-CG2 4.01Å; W332-T336 HydrophobicContact CZ3-CG2 4.36Å; W332-T336 WeakPolarHBondContact O-CB 3.18Å; W332-T336 WeakPolarHBondContact O-CG2 3.34Å; W332-T336 PolarHBondContact O-N 3.41Å; W332-T336 PolarHBondContact O-OG1 3.16Å; T336-G338 PolarHBondContact O-N 2.83Å; T336-G338 VanDerWaalsContact O-N 3.11Å; T336-E339 WeakPolarHBondContact O-CB 3.46Å; T336-E339 PolarHBondContact O-N 3.34Å; T336-L343 HydrophobicContact CG2-CD1 3.99Å
337	Q	96.3	Very high	96.8	Very high	161 Å²	161	60.9 Å²	60.9	75%	0.752	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	34.8	179.2	-56.7	-176.8	-0.5	0	0	113.7	C333 R334 E339	C333-Q337 VanDerWaalsContact O-CA 3.29Å; C333-Q337 WeakPolarHBondContact O-CA 3.34Å; C333-Q337 PolarHBondContact O-N 3.38Å; R334-Q337 VanDerWaalsContact O-CG 3.29Å; R334-Q337 WeakPolarHBondContact O-CG 3.15Å; Q337-E339 VanDerWaalsContact C-N 3.33Å
338	G	94.8	Very high	96.8	Very high	70 Å²	70	58.9 Å²	58.9	72%	0.722	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-13.4	-177.1	0	0	0	0	0	114.9	T336 G340	T336-G338 PolarHBondContact O-N 2.83Å; T336-G338 VanDerWaalsContact O-N 3.11Å; G338-G340 VanDerWaalsContact C-N 3.25Å; G338-G340 PolarHBondContact O-N 3.43Å
339	E	96.5	Very high	96.7	Very high	103 Å²	103	62.5 Å²	62.5	48%	0.481	32%	0.318	S	S	.	.			trans	-86.6	16.3	-179.6	-63.8	-69.2	124.1	0	0	113.3	T336 Q337 R341 K342 L343	T336-E339 WeakPolarHBondContact O-CB 3.46Å; T336-E339 PolarHBondContact O-N 3.34Å; Q337-E339 VanDerWaalsContact C-N 3.33Å; E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 3.32Å; E339-K342 WeakPolarHBondContact O-CB 3.5Å; E339-K342 PolarHBondContact O-N 2.85Å; E339-K342 WeakPolarHBondContact OE2-CD 3.32Å; E339-K342 IonicContact OE2-NZ 3.65Å; E339-L343 PolarHBondContact O-N 3.13Å
340	G	96	Very high	96.7	Very high	6 Å²	6	61.1 Å²	61.1	6%	0.062	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-35.5	-173.2	0	0	0	0	0	114.4	G338 L344	G338-G340 VanDerWaalsContact C-N 3.25Å; G338-G340 PolarHBondContact O-N 3.43Å; G340-L344 VanDerWaalsContact O-CB 3.25Å; G340-L344 WeakPolarHBondContact O-CB 3.33Å; G340-L344 PolarHBondContact O-N 3.27Å
341	R	95.9	Very high	96.6	Very high	149 Å²	149	58.4 Å²	58.4	56%	0.562	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-42.7	175.4	-64.8	-174.1	-171	-147.5	9.1	111.9	E339 G345 K380 L381	E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 3.32Å; R341-G345 PolarHBondContact O-N 3.45Å; R341-K380 PolarHBondContact NH1-O 2.68Å; R341-L381 HydrophobicContact CB-CD2 4Å; R341-L381 HydrophobicContact CG-CD2 4.46Å; R341-L381 WeakPolarHBondContact O-CD2 3.4Å
342	K	96.6	Very high	96.6	Very high	126 Å²	126	58.2 Å²	58.2	55%	0.548	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-49.8	179.3	179	-172.4	175.6	-173.6	0	110.5	E339 G345 Q346	E339-K342 WeakPolarHBondContact O-CB 3.5Å; E339-K342 PolarHBondContact O-N 2.85Å; E339-K342 WeakPolarHBondContact OE2-CD 3.32Å; E339-K342 IonicContact OE2-NZ 3.65Å; K342-G345 PolarHBondContact O-N 3.06Å; K342-Q346 WeakPolarHBondContact O-CG 3.4Å; K342-Q346 PolarHBondContact O-N 3.31Å
343	L	96.8	Very high	96.6	Very high	22 Å²	22	60.2 Å²	60.2	12%	0.115	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-48	179.6	-69.5	171.1	0	0	0	111.7	Y306 L310 T336 E339 G345 Q346 Y347	Y306-L343 HydrophobicContact CD2-CD2 4.3Å; Y306-L343 HydrophobicContact CE2-CD2 4.13Å; L310-L343 HydrophobicContact CD1-CB 3.82Å; T336-L343 HydrophobicContact CG2-CD1 3.99Å; E339-L343 PolarHBondContact O-N 3.13Å; L343-G345 VanDerWaalsContact C-N 3.29Å; L343-G345 PolarHBondContact O-N 3.12Å; L343-Q346 WeakPolarHBondContact O-CB 3.32Å; L343-Q346 PolarHBondContact O-N 3.15Å; L343-Y347 WeakPolarHBondContact O-CD2 3.12Å; L343-Y347 PolarHBondContact O-N 2.86Å; L343-Y347 VanDerWaalsContact O-N 3.16Å
344	L	95.9	Very high	96.6	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-33.9	178.1	-163.4	68.2	0	0	0	111.9	L310 W332 G340 Y347 L348 A351 I377	L310-L344 HydrophobicContact CB-CD1 4.49Å; W332-L344 HydrophobicContact CH2-CB 4.49Å; W332-L344 HydrophobicContact CH2-CD1 4.42Å; G340-L344 VanDerWaalsContact O-CB 3.25Å; G340-L344 WeakPolarHBondContact O-CB 3.33Å; G340-L344 PolarHBondContact O-N 3.27Å; L344-Y347 CarbonylContact O-C 3.51Å; L344-Y347 VanDerWaalsContact O-C 3.26Å; L344-Y347 PolarHBondContact O-N 3.1Å; L344-L348 VanDerWaalsContact O-CA 3.27Å; L344-L348 WeakPolarHBondContact O-CA 3.46Å; L344-L348 PolarHBondContact O-N 2.97Å; L344-A351 HydrophobicContact CD1-CB 3.64Å; L344-A351 HydrophobicContact CG-CB 4.26Å; L344-I377 HydrophobicContact CD2-CG2 3.63Å
345	G	96.7	Very high	96.6	Very high	15 Å²	15	51 Å²	51	16%	0.155	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-35.8	172.5	0	0	0	0	0	113.6	R341 K342 L343 L348	R341-G345 PolarHBondContact O-N 3.45Å; K342-G345 PolarHBondContact O-N 3.06Å; L343-G345 VanDerWaalsContact C-N 3.29Å; L343-G345 PolarHBondContact O-N 3.12Å; G345-L348 WeakPolarHBondContact O-CB 3.19Å
346	Q	96.3	Very high	96.6	Very high	110 Å²	110	51.1 Å²	51.1	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-36.3	174.2	-72.9	172.5	-25.1	0	0	112.1	K342 L343	K342-Q346 WeakPolarHBondContact O-CG 3.4Å; K342-Q346 PolarHBondContact O-N 3.31Å; L343-Q346 WeakPolarHBondContact O-CB 3.32Å; L343-Q346 PolarHBondContact O-N 3.15Å
347	Y	96	Very high	96.6	Very high	45 Å²	45	56.9 Å²	56.9	18%	0.176	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	37.5	-179.6	-53.1	-69	0	0	0	112.3	D303 Y306 P307 L310 L343 L344 V349 P350 A351	D303-Y347 WeakPolarHBondContact CB-OH 3.48Å; D303-Y347 PolarHBondContact OD1-OH 3.24Å; D303-Y347 VanDerWaalsContact OD1-OH 3.04Å; Y306-Y347 VanDerWaalsContact CB-CE2 3.49Å; Y306-Y347 AromaticContact CD2-CE2 3.9Å; Y306-Y347 HydrophobicContact CD2-CE2 3.9Å; Y306-Y347 HydrophobicContact CG-CE2 4.14Å; P307-Y347 HydrophobicContact CB-CD1 3.86Å; P307-Y347 HydrophobicContact CB-CG 4.23Å; P307-Y347 HydrophobicContact CG-CD1 4.18Å; P307-Y347 HydrophobicContact CG-CE1 4.36Å; L310-Y347 HydrophobicContact CD1-CD2 4.11Å; L343-Y347 WeakPolarHBondContact O-CD2 3.12Å; L343-Y347 PolarHBondContact O-N 2.86Å; L343-Y347 VanDerWaalsContact O-N 3.16Å; L344-Y347 CarbonylContact O-C 3.51Å; L344-Y347 VanDerWaalsContact O-C 3.26Å; L344-Y347 PolarHBondContact O-N 3.1Å; Y347-V349 PolarHBondContact O-N 3Å; Y347-P350 WeakPolarHBondContact O-CD 3.25Å; Y347-A351 PolarHBondContact O-N 3.06Å
348	L	96.8	Very high	96.5	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-42.5	-171.3	179	61.4	0	0	0	113.2	L344 G345 A351 V352 I377 L381 L385 L386	L344-L348 VanDerWaalsContact O-CA 3.27Å; L344-L348 WeakPolarHBondContact O-CA 3.46Å; L344-L348 PolarHBondContact O-N 2.97Å; G345-L348 WeakPolarHBondContact O-CB 3.19Å; L348-A351 WeakPolarHBondContact O-CB 3.32Å; L348-A351 PolarHBondContact O-N 3.2Å; L348-V352 HydrophobicContact CD1-CG2 3.85Å; L348-V352 HydrophobicContact CG-CG2 4.2Å; L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 2.95Å; L348-I377 HydrophobicContact CD1-CD1 4.4Å; L348-L381 HydrophobicContact CD1-CD1 3.78Å; L348-L385 HydrophobicContact CD2-CB 3.82Å; L348-L385 VanDerWaalsContact CD2-O 3.24Å; L348-L385 WeakPolarHBondContact CD2-O 2.98Å; L348-L386 HydrophobicContact CD1-CD2 3.95Å; L348-L386 HydrophobicContact CD2-CD2 4.02Å; L348-L386 HydrophobicContact CD2-CG 4.31Å
349	V	96.5	Very high	96.6	Very high	81 Å²	81	46.5 Å²	46.5	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-51.6	-177.3	174.2	0	0	0	0	111.3	Y347 A351 V352 D353	Y347-V349 PolarHBondContact O-N 3Å; V349-A351 VanDerWaalsContact C-N 3.25Å; V349-A351 PolarHBondContact O-N 2.89Å; V349-V352 PolarHBondContact O-N 2.91Å; V349-D353 PolarHBondContact O-N 3.48Å
350	P	96.2	Very high	96.3	Very high	51 Å²	51	43.8 Å²	43.8	33%	0.331	21%	0.214	S	C	.	.	H	α-helix	trans	-55.2	-38.8	171.3	-26.7	33.2	0	0	0	113.7	P307 Y347 Y354	P307-P350 HydrophobicContact CB-CB 4.21Å; P307-P350 HydrophobicContact CB-CG 3.99Å; P307-P350 WeakPolarHBondContact O-CB 3.44Å; Y347-P350 WeakPolarHBondContact O-CD 3.25Å; P350-Y354 VanDerWaalsContact O-CB 3.26Å; P350-Y354 WeakPolarHBondContact O-CB 3.24Å; P350-Y354 PolarHBondContact O-N 2.96Å
351	A	97.5	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-48.4	178.3	0	0	0	0	0	112.6	P311 L344 Y347 L348 V349 Y354 Y355	P311-A351 HydrophobicContact CB-CB 4.33Å; P311-A351 HydrophobicContact CG-CB 4.02Å; L344-A351 HydrophobicContact CD1-CB 3.64Å; L344-A351 HydrophobicContact CG-CB 4.26Å; Y347-A351 PolarHBondContact O-N 3.06Å; L348-A351 WeakPolarHBondContact O-CB 3.32Å; L348-A351 PolarHBondContact O-N 3.2Å; V349-A351 VanDerWaalsContact C-N 3.25Å; V349-A351 PolarHBondContact O-N 2.89Å; A351-Y354 PolarHBondContact O-N 3.33Å; A351-Y355 HydrophobicContact CB-CE2 4.03Å; A351-Y355 WeakPolarHBondContact O-CD2 3.3Å; A351-Y355 PolarHBondContact O-N 3Å
352	V	97.8	Very high	95.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-48.8	177.5	168.7	0	0	0	0	110.9	L348 V349 Y354 Y355 I356 I377 C389 L393	L348-V352 HydrophobicContact CD1-CG2 3.85Å; L348-V352 HydrophobicContact CG-CG2 4.2Å; L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 2.95Å; V349-V352 PolarHBondContact O-N 2.91Å; V352-Y354 VanDerWaalsContact C-N 3.29Å; V352-Y354 PolarHBondContact O-N 3.39Å; V352-Y355 PolarHBondContact O-N 3.1Å; V352-I356 HydrophobicContact CG1-CD1 3.66Å; V352-I356 HydrophobicContact CG1-CG1 4.4Å; V352-I356 WeakPolarHBondContact O-CB 3.27Å; V352-I356 VanDerWaalsContact O-CG1 3.29Å; V352-I356 WeakPolarHBondContact O-CG1 3.47Å; V352-I356 PolarHBondContact O-N 3.5Å; V352-I377 HydrophobicContact CG2-CD1 3.74Å; V352-C389 HydrophobicContact CG1-CB 4.14Å; V352-C389 HydrophobicContact CG2-CB 4.21Å; V352-L393 HydrophobicContact CG1-CD2 3.93Å; V352-L393 HydrophobicContact CG1-CG 4.15Å; V352-L393 HydrophobicContact CG2-CD2 4.43Å
353	D	97.4	Very high	94.5	Very high	65 Å²	65	33.8 Å²	33.8	35%	0.348	18%	0.179	S	C	.	.	H	α-helix	trans	-62.3	-38.2	-179.7	-72	-27.2	0	0	0	111.1	V349 Q357 K392	V349-D353 PolarHBondContact O-N 3.48Å; D353-Q357 PolarHBondContact O-N 3.37Å; D353-K392 IonicContact OD1-NZ 3.85Å; D353-K392 PolarHBondContact OD1-NZ 3.39Å; D353-K392 IonicContact OD2-NZ 3.16Å
354	Y	97.5	Very high	94.1	Very high	25 Å²	25	33.2 Å²	33.2	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-46.6	174.2	-179.7	-93.8	0	0	0	112.5	S274 P311 A312 L315 P350 A351 V352 I356 Q357 Q358	S274-Y354 PolarHBondContact OG-OH 3.14Å; P311-Y354 HydrophobicContact CB-CD1 3.66Å; P311-Y354 HydrophobicContact CB-CE1 4.46Å; P311-Y354 HydrophobicContact CB-CG 3.74Å; A312-Y354 VanDerWaalsContact CA-CE1 3.48Å; A312-Y354 HydrophobicContact CB-CE1 3.95Å; A312-Y354 HydrophobicContact CB-CE2 4.16Å; A312-Y354 WeakPolarHBondContact CB-OH 3.48Å; L315-Y354 HydrophobicContact CB-CE1 4.31Å; L315-Y354 HydrophobicContact CD1-CE1 4.07Å; P350-Y354 VanDerWaalsContact O-CB 3.26Å; P350-Y354 WeakPolarHBondContact O-CB 3.24Å; P350-Y354 PolarHBondContact O-N 2.96Å; A351-Y354 PolarHBondContact O-N 3.33Å; V352-Y354 VanDerWaalsContact C-N 3.29Å; V352-Y354 PolarHBondContact O-N 3.39Å; Y354-I356 VanDerWaalsContact C-N 3.28Å; Y354-I356 PolarHBondContact O-N 3.47Å; Y354-Q357 WeakPolarHBondContact O-CB 2.79Å; Y354-Q357 PolarHBondContact O-N 2.71Å; Y354-Q357 VanDerWaalsContact O-N 3.16Å; Y354-Q358 HydrophobicContact CD1-CG 4.01Å; Y354-Q358 HydrophobicContact CE1-CG 3.56Å; Y354-Q358 HydrophobicContact CE2-CG 4.13Å; Y354-Q358 HydrophobicContact CG-CG 4.46Å; Y354-Q358 VanDerWaalsContact O-CG 3.3Å; Y354-Q358 WeakPolarHBondContact O-CG 3.36Å; Y354-Q358 PolarHBondContact O-N 2.98Å
355	Y	98	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-39.3	177.8	-57.4	-30.8	0	0	0	111.8	P311 C314 L315 A351 V352 Q357 Q358 S359 M374 I377	P311-Y355 HydrophobicContact CB-CE1 4.42Å; P311-Y355 WeakPolarHBondContact O-CE1 3.29Å; C314-Y355 WeakPolarHBondContact CB-OH 3.22Å; C314-Y355 PolarHBondContact SG-OH 3.39Å; L315-Y355 HydrophobicContact CB-CD1 4.38Å; L315-Y355 HydrophobicContact CB-CE1 4.1Å; L315-Y355 HydrophobicContact CD1-CD1 4.12Å; A351-Y355 HydrophobicContact CB-CE2 4.03Å; A351-Y355 WeakPolarHBondContact O-CD2 3.3Å; A351-Y355 PolarHBondContact O-N 3Å; V352-Y355 PolarHBondContact O-N 3.1Å; Y355-Q357 VanDerWaalsContact C-N 3.34Å; Y355-Q358 PolarHBondContact O-N 3.42Å; Y355-S359 PolarHBondContact O-N 3.48Å; Y355-M374 HydrophobicContact CD2-CG 4.47Å; Y355-M374 VanDerWaalsContact O-CE 3.23Å; Y355-M374 WeakPolarHBondContact O-CE 3.12Å; Y355-I377 HydrophobicContact CD2-CD1 4.16Å; Y355-I377 HydrophobicContact CE2-CD1 4.28Å; Y355-I377 HydrophobicContact CE2-CG2 3.96Å
356	I	97.3	Very high	93.6	Very high	20 Å²	20	32.1 Å²	32.1	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-43.1	174.1	-78.9	174.2	0	0	0	111.3	V352 Y354 S359 M374 K392 A396	V352-I356 HydrophobicContact CG1-CD1 3.66Å; V352-I356 HydrophobicContact CG1-CG1 4.4Å; V352-I356 WeakPolarHBondContact O-CB 3.27Å; V352-I356 VanDerWaalsContact O-CG1 3.29Å; V352-I356 WeakPolarHBondContact O-CG1 3.47Å; V352-I356 PolarHBondContact O-N 3.5Å; Y354-I356 VanDerWaalsContact C-N 3.28Å; Y354-I356 PolarHBondContact O-N 3.47Å; I356-S359 PolarHBondContact O-N 3.22Å; I356-S359 PolarHBondContact O-OG 3.19Å; I356-M374 HydrophobicContact CG1-CE 3.99Å; I356-K392 HydrophobicContact CD1-CB 3.63Å; I356-K392 HydrophobicContact CD1-CD 4.37Å; I356-A396 HydrophobicContact CG1-CB 3.83Å
357	Q	95.7	Very high	93.5	Very high	128 Å²	128	27 Å²	27	60%	0.598	14%	0.142	S	C	*	.	H	α-helix	trans	-63.8	-42.7	175.2	-177.5	-174.3	-7.2	0	0	111.4	D353 Y354 Y355 S359 D360	D353-Q357 PolarHBondContact O-N 3.37Å; Y354-Q357 WeakPolarHBondContact O-CB 2.79Å; Y354-Q357 PolarHBondContact O-N 2.71Å; Y354-Q357 VanDerWaalsContact O-N 3.16Å; Y355-Q357 VanDerWaalsContact C-N 3.34Å; Q357-S359 VanDerWaalsContact C-N 3.3Å; Q357-S359 PolarHBondContact O-N 2.65Å; Q357-D360 PolarHBondContact O-N 2.88Å
358	Q	95.2	Very high	93.4	Very high	13 Å²	13	27.6 Å²	27.6	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-72.4	-22.1	-178.6	-63.6	-62.4	-48.1	0	0	112.9	S274 L315 Y354 Y355 D360 A361 V366 A370	S274-Q358 PolarHBondContact OG-NE2 3.03Å; L315-Q358 HydrophobicContact CD1-CB 3.68Å; L315-Q358 HydrophobicContact CD1-CG 3.87Å; Y354-Q358 HydrophobicContact CD1-CG 4.01Å; Y354-Q358 HydrophobicContact CE1-CG 3.56Å; Y354-Q358 HydrophobicContact CE2-CG 4.13Å; Y354-Q358 HydrophobicContact CG-CG 4.46Å; Y354-Q358 VanDerWaalsContact O-CG 3.3Å; Y354-Q358 WeakPolarHBondContact O-CG 3.36Å; Y354-Q358 PolarHBondContact O-N 2.98Å; Y355-Q358 PolarHBondContact O-N 3.42Å; Q358-D360 PolarHBondContact O-N 3.22Å; Q358-A361 WeakPolarHBondContact O-CB 2.93Å; Q358-A361 PolarHBondContact O-N 3.28Å; Q358-A361 VanDerWaalsContact O-N 3.12Å; Q358-V366 HydrophobicContact CB-CG1 3.95Å; Q358-V366 HydrophobicContact CG-CG1 4.47Å; Q358-A370 HydrophobicContact CB-CB 4.01Å
359	S	95.4	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.9	171.6	81.3	0	0	0	0	113.1	Y355 I356 Q357 R367 K538	Y355-S359 PolarHBondContact O-N 3.48Å; I356-S359 PolarHBondContact O-N 3.22Å; I356-S359 PolarHBondContact O-OG 3.19Å; Q357-S359 VanDerWaalsContact C-N 3.3Å; Q357-S359 PolarHBondContact O-N 2.65Å; S359-R367 WeakPolarHBondContact O-CD 3.45Å; S359-K538 PolarHBondContact O-NZ 2.95Å
360	D	91.4	Very high	93.5	Very high	46 Å²	46	23.2 Å²	23.2	25%	0.246	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	9.5	173.3	-72.5	-40.4	0	0	0	113	Q357 Q358 K538 R543	Q357-D360 PolarHBondContact O-N 2.88Å; Q358-D360 PolarHBondContact O-N 3.22Å; D360-K538 IonicContact OD1-NZ 3.37Å; D360-K538 PolarHBondContact OD1-NZ 3.15Å; D360-R543 IonicContact OD2-NE 3.92Å; D360-R543 PolarHBondContact OD2-NE 3.1Å; D360-R543 IonicContact OD2-NH2 3.95Å
361	A	88	Confident	93.6	Very high	18 Å²	18	20.8 Å²	20.8	15%	0.149	11%	0.105	C	C	.	.			trans	-65.8	150.1	178.6	0	0	0	0	0	113.1	Q358 N363 V366 R367	Q358-A361 WeakPolarHBondContact O-CB 2.93Å; Q358-A361 PolarHBondContact O-N 3.28Å; Q358-A361 VanDerWaalsContact O-N 3.12Å; A361-N363 VanDerWaalsContact C-N 3.3Å; A361-N363 PolarHBondContact O-N 3.35Å; A361-V366 HydrophobicContact CB-CB 3.8Å; A361-V366 HydrophobicContact CB-CG1 3.55Å; A361-R367 HydrophobicContact CB-CG 4.36Å; A361-R367 VanDerWaalsContact O-CD 3.24Å; A361-R367 WeakPolarHBondContact O-CD 3.35Å; A361-R367 WeakPolarHBondContact O-CG 3.42Å; A361-R367 PolarHBondContact O-NH1 3Å
362	D	79.5	Confident	93.6	Very high	51 Å²	51	22 Å²	22	27%	0.273	12%	0.115	S	C	.	.	S	Bend	trans	-63.7	-35.5	177	-74	-48.1	0	0	0	112.7	R367 A536 P537 K541	D362-R367 PolarHBondContact O-NH1 2.93Å; D362-A536 CarbonylContact O-C 3.59Å; D362-P537 WeakPolarHBondContact O-CA 3.37Å; D362-K541 WeakPolarHBondContact OD1-CE 3.45Å; D362-K541 IonicContact OD1-NZ 3.41Å; D362-K541 PolarHBondContact OD1-NZ 3.11Å; D362-K541 IonicContact OD2-NZ 2.85Å; D362-K541 PolarHBondContact OD2-NZ 3.42Å
363	N	83.3	Confident	93.6	Very high	2 Å²	2	22 Å²	22	1%	0.011	12%	0.115	C	C	.	.	S	Bend	trans	-82.6	120.5	-179.6	-175.6	-14.6	0	0	0	110.9	N276 Y319 A361 A365 V366 R367 L535	N276-N363 PolarHBondContact O-ND2 2.68Å; N276-N363 WeakPolarHBondContact OD1-CB 3.18Å; Y319-N363 PolarHBondContact OH-ND2 3.45Å; A361-N363 VanDerWaalsContact C-N 3.3Å; A361-N363 PolarHBondContact O-N 3.35Å; N363-A365 VanDerWaalsContact C-N 3.26Å; N363-A365 PolarHBondContact O-N 3.09Å; N363-A365 WeakPolarHBondContact OD1-CB 3.31Å; N363-A365 PolarHBondContact OD1-N 2.92Å; N363-V366 HydrophobicContact CB-CB 4.42Å; N363-V366 HydrophobicContact CB-CG2 3.84Å; N363-V366 WeakPolarHBondContact O-CB 3.28Å; N363-V366 PolarHBondContact O-N 2.88Å; N363-R367 PolarHBondContact O-N 3.04Å; N363-L535 HydrophobicContact CB-CD2 4.35Å
364	H	87.7	Confident	93.6	Very high	9 Å²	9	18.9 Å²	18.9	4%	0.042	10%	0.098	C	C	.	.	H	α-helix	trans	-57.4	-36.1	178.5	68.3	-86.8	0	0	0	113	V366 R367 E368 S405 V408	H364-V366 PolarHBondContact O-N 3Å; H364-R367 PolarHBondContact O-N 3.28Å; H364-R367 VanDerWaalsContact O-N 3.1Å; H364-E368 WeakPolarHBondContact O-CB 3.37Å; H364-E368 PolarHBondContact O-N 2.92Å; H364-S405 VanDerWaalsContact CB-OG 3.28Å; H364-S405 WeakPolarHBondContact CB-OG 3.29Å; H364-S405 PolarHBondContact CD2-OG 3.32Å; H364-V408 HydrophobicContact CB-CG2 3.96Å; H364-V408 VanDerWaalsContact O-CG2 3.26Å; H364-V408 WeakPolarHBondContact O-CG2 3.41Å
365	A	89.7	Confident	93.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.4	-27.8	177.5	0	0	0	0	0	112.9	Y319 V320 N363 A369	Y319-A365 HydrophobicContact CE2-CB 3.94Å; V320-A365 HydrophobicContact CB-CB 4.23Å; V320-A365 HydrophobicContact CG1-CB 3.54Å; N363-A365 VanDerWaalsContact C-N 3.26Å; N363-A365 PolarHBondContact O-N 3.09Å; N363-A365 WeakPolarHBondContact OD1-CB 3.31Å; N363-A365 PolarHBondContact OD1-N 2.92Å; A365-A369 WeakPolarHBondContact O-CB 3.36Å; A365-A369 PolarHBondContact O-N 3.3Å; A365-A369 VanDerWaalsContact O-N 3.15Å
366	V	92.1	Very high	93.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-75.3	-42.7	174.3	179.8	0	0	0	0	110.4	Y319 Q358 A361 N363 H364 E368 A369 A370	Y319-V366 HydrophobicContact CE2-CG2 3.84Å; Q358-V366 HydrophobicContact CB-CG1 3.95Å; Q358-V366 HydrophobicContact CG-CG1 4.47Å; A361-V366 HydrophobicContact CB-CB 3.8Å; A361-V366 HydrophobicContact CB-CG1 3.55Å; N363-V366 HydrophobicContact CB-CB 4.42Å; N363-V366 HydrophobicContact CB-CG2 3.84Å; N363-V366 WeakPolarHBondContact O-CB 3.28Å; N363-V366 PolarHBondContact O-N 2.88Å; H364-V366 PolarHBondContact O-N 3Å; V366-E368 VanDerWaalsContact C-N 3.34Å; V366-A369 PolarHBondContact O-N 3.02Å; V366-A370 WeakPolarHBondContact O-CB 3.47Å; V366-A370 PolarHBondContact O-N 2.91Å
367	R	94.4	Very high	93.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-40.9	177.2	-57.9	-163.6	-62.1	-83.6	5.3	111.6	S359 A361 D362 N363 H364 A370 C371 D403 V408	S359-R367 WeakPolarHBondContact O-CD 3.45Å; A361-R367 HydrophobicContact CB-CG 4.36Å; A361-R367 VanDerWaalsContact O-CD 3.24Å; A361-R367 WeakPolarHBondContact O-CD 3.35Å; A361-R367 WeakPolarHBondContact O-CG 3.42Å; A361-R367 PolarHBondContact O-NH1 3Å; D362-R367 PolarHBondContact O-NH1 2.93Å; N363-R367 PolarHBondContact O-N 3.04Å; H364-R367 PolarHBondContact O-N 3.28Å; H364-R367 VanDerWaalsContact O-N 3.1Å; R367-A370 WeakPolarHBondContact O-CB 3.33Å; R367-A370 PolarHBondContact O-N 3.5Å; R367-C371 PolarHBondContact O-N 3.29Å; R367-C371 PolarHBondContact O-SG 3.21Å; R367-D403 IonicContact CZ-OD1 2.69Å; R367-D403 IonicContact CZ-OD2 3.19Å; R367-D403 IonicContact NE-OD1 3.17Å; R367-D403 IonicContact NE-OD2 3.92Å; R367-D403 PolarHBondContact NE-OD2 2.91Å; R367-D403 IonicContact NH2-OD1 3.46Å; R367-D403 PolarHBondContact NH2-OD1 2.76Å; R367-D403 IonicContact NH2-OD2 3.37Å; R367-D403 PolarHBondContact NH2-OD2 3.14Å; R367-V408 HydrophobicContact CB-CG1 3.82Å; R367-V408 HydrophobicContact CB-CG2 3.83Å
368	E	94.8	Very high	93.6	Very high	57 Å²	57	12.7 Å²	12.7	27%	0.266	7%	0.073	S	C	.	.	H	α-helix	trans	-59.1	-51.7	173.1	-177.6	-170.3	173.1	0	0	110.8	H364 V366 A370 C371 A372 P407 V408 A411	H364-E368 WeakPolarHBondContact O-CB 3.37Å; H364-E368 PolarHBondContact O-N 2.92Å; V366-E368 VanDerWaalsContact C-N 3.34Å; E368-A370 VanDerWaalsContact C-N 3.27Å; E368-A370 PolarHBondContact O-N 3.01Å; E368-C371 WeakPolarHBondContact O-CB 3.44Å; E368-C371 PolarHBondContact O-N 3.24Å; E368-C371 VanDerWaalsContact O-N 3.13Å; E368-A372 PolarHBondContact O-N 3.42Å; E368-P407 HydrophobicContact CG-CB 4.34Å; E368-V408 HydrophobicContact CB-CG2 4.21Å; E368-A411 HydrophobicContact CG-CB 3.98Å
369	A	96.5	Very high	93.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-34.4	177.8	0	0	0	0	0	112.6	L315 A365 V366 S373	L315-A369 HydrophobicContact CD2-CB 3.74Å; L315-A369 HydrophobicContact CG-CB 4Å; A365-A369 WeakPolarHBondContact O-CB 3.36Å; A365-A369 PolarHBondContact O-N 3.3Å; A365-A369 VanDerWaalsContact O-N 3.15Å; V366-A369 PolarHBondContact O-N 3.02Å; A369-S373 WeakPolarHBondContact O-CB 3.42Å; A369-S373 PolarHBondContact O-N 3.39Å; A369-S373 PolarHBondContact O-OG 3.49Å
370	A	97.8	Very high	93.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-46.7	173.2	0	0	0	0	0	111.4	L315 Q358 V366 R367 E368 A372 S373 M374	L315-A370 HydrophobicContact CD1-CB 3.96Å; Q358-A370 HydrophobicContact CB-CB 4.01Å; V366-A370 WeakPolarHBondContact O-CB 3.47Å; V366-A370 PolarHBondContact O-N 2.91Å; R367-A370 WeakPolarHBondContact O-CB 3.33Å; R367-A370 PolarHBondContact O-N 3.5Å; E368-A370 VanDerWaalsContact C-N 3.27Å; E368-A370 PolarHBondContact O-N 3.01Å; A370-A372 PolarHBondContact O-N 2.98Å; A370-S373 WeakPolarHBondContact O-CB 3.3Å; A370-S373 PolarHBondContact O-N 2.94Å; A370-M374 WeakPolarHBondContact O-CG 3.31Å; A370-M374 PolarHBondContact O-N 3.32Å
371	C	98.2	Very high	94	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-44.3	176	-64.7	0	0	0	0	111.8	R367 E368 S373 M374 A375 L397 C400 A411 A415	R367-C371 PolarHBondContact O-N 3.29Å; R367-C371 PolarHBondContact O-SG 3.21Å; E368-C371 WeakPolarHBondContact O-CB 3.44Å; E368-C371 PolarHBondContact O-N 3.24Å; E368-C371 VanDerWaalsContact O-N 3.13Å; C371-S373 VanDerWaalsContact C-N 3.31Å; C371-S373 PolarHBondContact O-N 3.19Å; C371-M374 PolarHBondContact O-N 3.34Å; C371-A375 PolarHBondContact O-N 2.91Å; C371-L397 HydrophobicContact CB-CD2 4.41Å; C371-C400 VanDerWaalsContact SG-CB 3.56Å; C371-A411 HydrophobicContact CB-CB 3.69Å; C371-A415 WeakPolarHBondContact O-CB 3.25Å
372	A	97.4	Very high	94.3	Very high	25 Å²	25	22 Å²	22	21%	0.207	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-38.5	175.7	0	0	0	0	0	112.5	Y318 E368 A370 A375 E376	Y318-A372 HydrophobicContact CD1-CB 3.76Å; Y318-A372 HydrophobicContact CD2-CB 4.35Å; Y318-A372 HydrophobicContact CE1-CB 4.4Å; Y318-A372 HydrophobicContact CG-CB 3.73Å; E368-A372 PolarHBondContact O-N 3.42Å; A370-A372 PolarHBondContact O-N 2.98Å; A372-A375 PolarHBondContact O-N 3Å; A372-E376 PolarHBondContact O-N 3.1Å
373	S	97.9	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-40.3	175.6	-56.8	0	0	0	0	112	L315 A369 A370 C371 E376 I377	L315-S373 WeakPolarHBondContact CA-OG 3.44Å; A369-S373 WeakPolarHBondContact O-CB 3.42Å; A369-S373 PolarHBondContact O-N 3.39Å; A369-S373 PolarHBondContact O-OG 3.49Å; A370-S373 WeakPolarHBondContact O-CB 3.3Å; A370-S373 PolarHBondContact O-N 2.94Å; C371-S373 VanDerWaalsContact C-N 3.31Å; C371-S373 PolarHBondContact O-N 3.19Å; S373-E376 PolarHBondContact O-N 2.88Å; S373-I377 PolarHBondContact O-N 2.94Å
374	M	98.3	Very high	95.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-43.7	173.2	-68.6	178.9	-165.1	0	0	111.4	Y355 I356 A370 C371 E376 I377 V378 L393 A396 L397	Y355-M374 HydrophobicContact CD2-CG 4.47Å; Y355-M374 VanDerWaalsContact O-CE 3.23Å; Y355-M374 WeakPolarHBondContact O-CE 3.12Å; I356-M374 HydrophobicContact CG1-CE 3.99Å; A370-M374 WeakPolarHBondContact O-CG 3.31Å; A370-M374 PolarHBondContact O-N 3.32Å; C371-M374 PolarHBondContact O-N 3.34Å; M374-E376 VanDerWaalsContact C-N 3.32Å; M374-E376 PolarHBondContact O-N 2.89Å; M374-I377 WeakPolarHBondContact O-CG1 3.46Å; M374-I377 PolarHBondContact O-N 3.23Å; M374-V378 VanDerWaalsContact O-CG2 3.27Å; M374-V378 WeakPolarHBondContact O-CG2 3.2Å; M374-V378 PolarHBondContact O-N 3.14Å; M374-V378 VanDerWaalsContact O-N 3.14Å; M374-L393 HydrophobicContact CB-CD2 4.42Å; M374-L393 HydrophobicContact CG-CD2 3.94Å; M374-L393 HydrophobicContact SD-CD2 4.08Å; M374-A396 HydrophobicContact CE-CB 4.2Å; M374-L397 HydrophobicContact CB-CD2 4.28Å; M374-L397 HydrophobicContact SD-CD2 3.63Å; M374-L397 HydrophobicContact SD-CG 3.86Å
375	A	97.6	Very high	96.1	Very high	14 Å²	14	33 Å²	33	12%	0.116	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-41.9	174.2	0	0	0	0	0	111.8	C371 A372 V378 T379 A415	C371-A375 PolarHBondContact O-N 2.91Å; A372-A375 PolarHBondContact O-N 3Å; A375-V378 PolarHBondContact O-N 3.05Å; A375-T379 WeakPolarHBondContact O-CB 3.29Å; A375-T379 VanDerWaalsContact O-CG2 3.26Å; A375-T379 WeakPolarHBondContact O-CG2 3.29Å; A375-T379 PolarHBondContact O-N 3.25Å; A375-T379 PolarHBondContact O-OG1 2.8Å; A375-A415 HydrophobicContact CB-CB 3.78Å
376	E	96.7	Very high	96.4	Very high	21 Å²	21	33 Å²	33	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-45.8	178.9	-172.7	177.7	-162.8	0	0	112.3	R317 Y318 A372 S373 M374 V378 T379 K380	R317-E376 IonicContact CZ-OE1 3.02Å; R317-E376 IonicContact CZ-OE2 3.26Å; R317-E376 IonicContact NH1-OE1 2.7Å; R317-E376 PolarHBondContact NH1-OE1 3.08Å; R317-E376 IonicContact NH1-OE2 2.69Å; R317-E376 PolarHBondContact NH1-OE2 3.21Å; R317-E376 IonicContact NH2-OE1 3.49Å; R317-E376 IonicContact NH2-OE2 3.64Å; R317-E376 PolarHBondContact NH2-OE2 3.46Å; Y318-E376 HydrophobicContact CE2-CB 4.41Å; Y318-E376 WeakPolarHBondContact CE2-OE2 3.18Å; Y318-E376 PolarHBondContact OH-OE1 2.91Å; Y318-E376 PolarHBondContact OH-OE2 3.49Å; A372-E376 PolarHBondContact O-N 3.1Å; S373-E376 PolarHBondContact O-N 2.88Å; M374-E376 VanDerWaalsContact C-N 3.32Å; M374-E376 PolarHBondContact O-N 2.89Å; E376-V378 VanDerWaalsContact C-N 3.28Å; E376-V378 PolarHBondContact O-N 3.07Å; E376-T379 WeakPolarHBondContact CA-OG1 3.41Å; E376-T379 PolarHBondContact O-N 2.75Å; E376-T379 PolarHBondContact O-OG1 2.98Å; E376-K380 HydrophobicContact CG-CB 4.38Å; E376-K380 HydrophobicContact CG-CD 3.54Å; E376-K380 HydrophobicContact CG-CG 3.98Å; E376-K380 VanDerWaalsContact O-CB 3.26Å; E376-K380 WeakPolarHBondContact O-CB 3.39Å; E376-K380 PolarHBondContact O-N 2.98Å; E376-K380 WeakPolarHBondContact OE1-CD 3.48Å; E376-K380 WeakPolarHBondContact OE1-CE 3.36Å; E376-K380 IonicContact OE1-NZ 3.43Å; E376-K380 PolarHBondContact OE1-NZ 2.98Å
377	I	97.3	Very high	96.6	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-39.9	179.9	61.7	173	0	0	0	111.1	L344 L348 V352 Y355 S373 M374 L381 L386 L393	L344-I377 HydrophobicContact CD2-CG2 3.63Å; L348-I377 HydrophobicContact CD1-CD1 4.4Å; V352-I377 HydrophobicContact CG2-CD1 3.74Å; Y355-I377 HydrophobicContact CD2-CD1 4.16Å; Y355-I377 HydrophobicContact CE2-CD1 4.28Å; Y355-I377 HydrophobicContact CE2-CG2 3.96Å; S373-I377 PolarHBondContact O-N 2.94Å; M374-I377 WeakPolarHBondContact O-CG1 3.46Å; M374-I377 PolarHBondContact O-N 3.23Å; I377-L381 HydrophobicContact CB-CD1 3.88Å; I377-L381 HydrophobicContact CB-CG 4.29Å; I377-L381 HydrophobicContact CG2-CD1 4.06Å; I377-L381 VanDerWaalsContact O-CB 3.27Å; I377-L381 WeakPolarHBondContact O-CB 3.44Å; I377-L381 WeakPolarHBondContact O-CG 3.43Å; I377-L381 PolarHBondContact O-N 3.46Å; I377-L386 HydrophobicContact CD1-CD2 4.11Å; I377-L386 HydrophobicContact CG1-CD2 4.35Å; I377-L393 HydrophobicContact CD1-CD2 4.33Å
378	V	97.4	Very high	96.6	Very high	6 Å²	6	42 Å²	42	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-43.8	177.2	170.7	0	0	0	0	111.5	M374 A375 E376 L386 S418 L419	M374-V378 VanDerWaalsContact O-CG2 3.27Å; M374-V378 WeakPolarHBondContact O-CG2 3.2Å; M374-V378 PolarHBondContact O-N 3.14Å; M374-V378 VanDerWaalsContact O-N 3.14Å; A375-V378 PolarHBondContact O-N 3.05Å; E376-V378 VanDerWaalsContact C-N 3.28Å; E376-V378 PolarHBondContact O-N 3.07Å; V378-L386 HydrophobicContact CG2-CD1 4.46Å; V378-S418 WeakPolarHBondContact CG1-O 3.42Å; V378-L419 HydrophobicContact CG1-CB 4.49Å; V378-L419 HydrophobicContact CG1-CD1 4.5Å; V378-L419 HydrophobicContact CG2-CB 4.42Å; V378-L419 HydrophobicContact CG2-CD1 3.71Å
379	T	96.1	Very high	96.7	Very high	83 Å²	83	39.7 Å²	39.7	51%	0.509	22%	0.219	S	C	.	.	H	α-helix	trans	-82	-23.8	-175.3	54.4	0	0	0	0	114	A375 E376	A375-T379 WeakPolarHBondContact O-CB 3.29Å; A375-T379 VanDerWaalsContact O-CG2 3.26Å; A375-T379 WeakPolarHBondContact O-CG2 3.29Å; A375-T379 PolarHBondContact O-N 3.25Å; A375-T379 PolarHBondContact O-OG1 2.8Å; E376-T379 WeakPolarHBondContact CA-OG1 3.41Å; E376-T379 PolarHBondContact O-N 2.75Å; E376-T379 PolarHBondContact O-OG1 2.98Å
380	K	96	Very high	96.7	Very high	79 Å²	79	39.9 Å²	39.9	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-114	-22	-170.6	-64.6	-167	-169.4	168.3	0	115.7	R341 E376	R341-K380 PolarHBondContact NH1-O 2.68Å; E376-K380 HydrophobicContact CG-CB 4.38Å; E376-K380 HydrophobicContact CG-CD 3.54Å; E376-K380 HydrophobicContact CG-CG 3.98Å; E376-K380 VanDerWaalsContact O-CB 3.26Å; E376-K380 WeakPolarHBondContact O-CB 3.39Å; E376-K380 PolarHBondContact O-N 2.98Å; E376-K380 WeakPolarHBondContact OE1-CD 3.48Å; E376-K380 WeakPolarHBondContact OE1-CE 3.36Å; E376-K380 IonicContact OE1-NZ 3.43Å; E376-K380 PolarHBondContact OE1-NZ 2.98Å
381	L	96.5	Very high	96.6	Very high	23 Å²	23	41.5 Å²	41.5	12%	0.12	24%	0.236	C	C	.	.	S	Bend	trans	-90.8	163.9	177.2	-56.4	-174.4	0	0	0	111.2	R341 L348 I377 S383	R341-L381 HydrophobicContact CB-CD2 4Å; R341-L381 HydrophobicContact CG-CD2 4.46Å; R341-L381 WeakPolarHBondContact O-CD2 3.4Å; L348-L381 HydrophobicContact CD1-CD1 3.78Å; I377-L381 HydrophobicContact CB-CD1 3.88Å; I377-L381 HydrophobicContact CB-CG 4.29Å; I377-L381 HydrophobicContact CG2-CD1 4.06Å; I377-L381 VanDerWaalsContact O-CB 3.27Å; I377-L381 WeakPolarHBondContact O-CB 3.44Å; I377-L381 WeakPolarHBondContact O-CG 3.43Å; I377-L381 PolarHBondContact O-N 3.46Å; L381-S383 PolarHBondContact O-N 3.1Å
382	D	95.6	Very high	96.5	Very high	87 Å²	87	46.2 Å²	46.2	47%	0.465	26%	0.257	S	S	.	.			trans	-63.1	122.5	172.6	-177.4	-10.7	0	0	0	109.3	K384 L385	D382-K384 PolarHBondContact O-N 3.48Å; D382-K384 VanDerWaalsContact O-N 3.13Å; D382-K384 WeakPolarHBondContact OD1-CB 3.34Å; D382-K384 PolarHBondContact OD1-N 3.39Å; D382-L385 HydrophobicContact CB-CD1 4.22Å; D382-L385 HydrophobicContact CB-CG 4.19Å; D382-L385 WeakPolarHBondContact O-CB 3.37Å; D382-L385 PolarHBondContact O-N 3.3Å
383	S	95.6	Very high	96.5	Very high	51 Å²	51	45 Å²	45	36%	0.357	25%	0.247	S	C	.	.	H	α-helix	trans	-57.6	-28.4	-178.6	57.4	0	0	0	0	112.6	L381 L385 L386 L387 F423	L381-S383 PolarHBondContact O-N 3.1Å; S383-L385 VanDerWaalsContact C-N 3.27Å; S383-L385 PolarHBondContact O-N 3.12Å; S383-L386 PolarHBondContact O-N 3.34Å; S383-L386 VanDerWaalsContact O-N 3.13Å; S383-L387 PolarHBondContact O-N 2.86Å; S383-F423 WeakPolarHBondContact O-CE1 3.44Å; S383-F423 VanDerWaalsContact O-CZ 3.29Å; S383-F423 WeakPolarHBondContact O-CZ 3.25Å
384	K	96.2	Very high	96.5	Very high	156 Å²	156	45 Å²	45	68%	0.678	25%	0.247	S	C	*	.	H	α-helix	trans	-62.7	-33.2	176.4	-64.7	177.8	-176.4	174.9	0	112.9	D382 L386	D382-K384 PolarHBondContact O-N 3.48Å; D382-K384 VanDerWaalsContact O-N 3.13Å; D382-K384 WeakPolarHBondContact OD1-CB 3.34Å; D382-K384 PolarHBondContact OD1-N 3.39Å; K384-L386 VanDerWaalsContact C-N 3.27Å; K384-L386 PolarHBondContact O-N 3.31Å
385	L	95.8	Very high	96.4	Very high	87 Å²	87	49.4 Å²	49.4	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-70.1	-28.9	178	-64.4	177.9	0	0	0	111.8	L348 D382 S383 P388	L348-L385 HydrophobicContact CD2-CB 3.82Å; L348-L385 VanDerWaalsContact CD2-O 3.24Å; L348-L385 WeakPolarHBondContact CD2-O 2.98Å; D382-L385 HydrophobicContact CB-CD1 4.22Å; D382-L385 HydrophobicContact CB-CG 4.19Å; D382-L385 WeakPolarHBondContact O-CB 3.37Å; D382-L385 PolarHBondContact O-N 3.3Å; S383-L385 VanDerWaalsContact C-N 3.27Å; S383-L385 PolarHBondContact O-N 3.12Å; L385-P388 WeakPolarHBondContact O-CD 3.38Å
386	L	96	Very high	96.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-85.3	-18.7	-175.4	-73.8	163.3	0	0	0	113.7	L348 I377 V378 S383 K384 P388 C389 V390 L393 F423	L348-L386 HydrophobicContact CD1-CD2 3.95Å; L348-L386 HydrophobicContact CD2-CD2 4.02Å; L348-L386 HydrophobicContact CD2-CG 4.31Å; I377-L386 HydrophobicContact CD1-CD2 4.11Å; I377-L386 HydrophobicContact CG1-CD2 4.35Å; V378-L386 HydrophobicContact CG2-CD1 4.46Å; S383-L386 PolarHBondContact O-N 3.34Å; S383-L386 VanDerWaalsContact O-N 3.13Å; K384-L386 VanDerWaalsContact C-N 3.27Å; K384-L386 PolarHBondContact O-N 3.31Å; L386-P388 VanDerWaalsContact C-N 3.31Å; L386-P388 VanDerWaalsContact O-N 3.15Å; L386-C389 WeakPolarHBondContact O-CA 3.03Å; L386-C389 WeakPolarHBondContact O-CB 3.1Å; L386-C389 PolarHBondContact O-N 2.88Å; L386-V390 WeakPolarHBondContact O-CG2 3.38Å; L386-V390 PolarHBondContact O-N 2.82Å; L386-L393 HydrophobicContact CD2-CD1 4.13Å; L386-F423 HydrophobicContact CB-CE2 4.14Å; L386-F423 HydrophobicContact CB-CZ 3.76Å; L386-F423 HydrophobicContact CD1-CE2 4.44Å; L386-F423 HydrophobicContact CD1-CZ 4.44Å
387	L	96	Very high	96.4	Very high	79 Å²	79	47.8 Å²	47.8	41%	0.414	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-45.4	-45.6	-178.9	-76.3	170.7	0	0	0	113.9	S383 C389 V390 F423 E426	S383-L387 PolarHBondContact O-N 2.86Å; L387-C389 PolarHBondContact O-N 2.85Å; L387-V390 PolarHBondContact O-N 3.19Å; L387-F423 HydrophobicContact CD2-CD1 3.74Å; L387-F423 HydrophobicContact CD2-CE1 3.65Å; L387-F423 HydrophobicContact CG-CE1 4.08Å; L387-E426 HydrophobicContact CD2-CG 4.22Å; L387-E426 WeakPolarHBondContact CD2-OE1 3.33Å
388	P	95.8	Very high	96.3	Very high	111 Å²	111	50.1 Å²	50.1	72%	0.721	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-67.5	-18.2	178.9	-19.4	34.1	0	0	0	114.3	L385 L386	L385-P388 WeakPolarHBondContact O-CD 3.38Å; L386-P388 VanDerWaalsContact C-N 3.31Å; L386-P388 VanDerWaalsContact O-N 3.15Å
389	C	96	Very high	96.1	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.061	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-101.8	-10.1	-174.9	-64.3	0	0	0	0	113.2	V352 L386 L387 G391 K392 L393	V352-C389 HydrophobicContact CG1-CB 4.14Å; V352-C389 HydrophobicContact CG2-CB 4.21Å; L386-C389 WeakPolarHBondContact O-CA 3.03Å; L386-C389 WeakPolarHBondContact O-CB 3.1Å; L386-C389 PolarHBondContact O-N 2.88Å; L387-C389 PolarHBondContact O-N 2.85Å; C389-G391 PolarHBondContact O-N 3.31Å; C389-K392 PolarHBondContact O-N 3.38Å; C389-L393 HydrophobicContact CB-CD1 4.18Å; C389-L393 HydrophobicContact CB-CG 4.48Å; C389-L393 WeakPolarHBondContact O-CG 3.44Å; C389-L393 PolarHBondContact O-N 2.68Å
390	V	96.6	Very high	95.9	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-49.4	-172.7	175.1	0	0	0	0	111.8	L386 L387 K392 L393 L394 F423 E426	L386-V390 WeakPolarHBondContact O-CG2 3.38Å; L386-V390 PolarHBondContact O-N 2.82Å; L387-V390 PolarHBondContact O-N 3.19Å; V390-K392 PolarHBondContact O-N 3.44Å; V390-L393 PolarHBondContact O-N 2.78Å; V390-L394 VanDerWaalsContact O-CB 3.29Å; V390-L394 WeakPolarHBondContact O-CB 3.47Å; V390-L394 PolarHBondContact O-N 3.09Å; V390-F423 HydrophobicContact CG1-CB 4.12Å; V390-F423 HydrophobicContact CG1-CG 4.37Å; V390-F423 HydrophobicContact CG2-CB 4.3Å; V390-F423 HydrophobicContact CG2-CD1 3.92Å; V390-F423 HydrophobicContact CG2-CD2 3.73Å; V390-F423 HydrophobicContact CG2-CE1 4.12Å; V390-F423 HydrophobicContact CG2-CE2 3.95Å; V390-F423 HydrophobicContact CG2-CG 3.71Å; V390-F423 HydrophobicContact CG2-CZ 4.14Å; V390-E426 HydrophobicContact CG1-CB 3.95Å
391	G	96.1	Very high	95.8	Very high	34 Å²	34	44.7 Å²	44.7	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-44.6	-179.3	0	0	0	0	0	113.1	C389 L393 L394 D395	C389-G391 PolarHBondContact O-N 3.31Å; G391-L393 PolarHBondContact O-N 2.92Å; G391-L394 PolarHBondContact O-N 3.11Å; G391-D395 VanDerWaalsContact O-CG 3.31Å; G391-D395 PolarHBondContact O-N 3.01Å
392	K	96.1	Very high	95.3	Very high	99 Å²	99	45.8 Å²	45.8	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-38.8	178.3	-70	-175.6	173	-177.1	0	112.7	D353 I356 C389 V390 A396	D353-K392 IonicContact OD1-NZ 3.85Å; D353-K392 PolarHBondContact OD1-NZ 3.39Å; D353-K392 IonicContact OD2-NZ 3.16Å; I356-K392 HydrophobicContact CD1-CB 3.63Å; I356-K392 HydrophobicContact CD1-CD 4.37Å; C389-K392 PolarHBondContact O-N 3.38Å; V390-K392 PolarHBondContact O-N 3.44Å; K392-A396 WeakPolarHBondContact O-CB 3.04Å; K392-A396 PolarHBondContact O-N 2.86Å; K392-A396 VanDerWaalsContact O-N 3.15Å
393	L	97.7	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-42.9	175.8	-72.7	170.8	0	0	0	110.7	V352 M374 I377 L386 C389 V390 G391 A396 L397 L419	V352-L393 HydrophobicContact CG1-CD2 3.93Å; V352-L393 HydrophobicContact CG1-CG 4.15Å; V352-L393 HydrophobicContact CG2-CD2 4.43Å; M374-L393 HydrophobicContact CB-CD2 4.42Å; M374-L393 HydrophobicContact CG-CD2 3.94Å; M374-L393 HydrophobicContact SD-CD2 4.08Å; I377-L393 HydrophobicContact CD1-CD2 4.33Å; L386-L393 HydrophobicContact CD2-CD1 4.13Å; C389-L393 HydrophobicContact CB-CD1 4.18Å; C389-L393 HydrophobicContact CB-CG 4.48Å; C389-L393 WeakPolarHBondContact O-CG 3.44Å; C389-L393 PolarHBondContact O-N 2.68Å; V390-L393 PolarHBondContact O-N 2.78Å; G391-L393 PolarHBondContact O-N 2.92Å; L393-A396 PolarHBondContact O-N 3.25Å; L393-L397 WeakPolarHBondContact O-CB 2.98Å; L393-L397 VanDerWaalsContact O-CG 3.3Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 3.43Å; L393-L419 HydrophobicContact CB-CD1 4.32Å; L393-L419 HydrophobicContact CB-CD2 3.95Å; L393-L419 HydrophobicContact CD1-CD1 4.23Å
394	L	97.1	Very high	94.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-52.2	176.9	-175.6	62.3	0	0	0	110.2	V390 G391 A396 L397 I398 L416 L419 T427 M436	V390-L394 VanDerWaalsContact O-CB 3.29Å; V390-L394 WeakPolarHBondContact O-CB 3.47Å; V390-L394 PolarHBondContact O-N 3.09Å; G391-L394 PolarHBondContact O-N 3.11Å; L394-A396 VanDerWaalsContact C-N 3.31Å; L394-A396 PolarHBondContact O-N 2.9Å; L394-L397 PolarHBondContact O-N 3.1Å; L394-I398 HydrophobicContact CD1-CD1 3.88Å; L394-I398 HydrophobicContact CD1-CG1 4.21Å; L394-I398 HydrophobicContact CG-CD1 3.74Å; L394-I398 HydrophobicContact CG-CG1 4.44Å; L394-I398 WeakPolarHBondContact O-CB 3.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.22Å; L394-I398 PolarHBondContact O-N 2.91Å; L394-L416 HydrophobicContact CD1-CD1 3.58Å; L394-L419 HydrophobicContact CB-CD2 4.03Å; L394-L419 HydrophobicContact CD1-CD2 4.32Å; L394-T427 HydrophobicContact CD1-CG2 4.33Å; L394-T427 HydrophobicContact CD2-CG2 4.33Å; L394-M436 HydrophobicContact CD1-SD 4.39Å
395	D	96.3	Very high	93.8	Very high	93 Å²	93	34.6 Å²	34.6	50%	0.497	21%	0.205	S	C	.	.	H	α-helix	trans	-55.1	-44.9	177.3	-70.4	-17.9	0	0	0	112.6	G391 V399	G391-D395 VanDerWaalsContact O-CG 3.31Å; G391-D395 PolarHBondContact O-N 3.01Å; D395-V399 WeakPolarHBondContact O-CG2 3.38Å; D395-V399 PolarHBondContact O-N 3.27Å
396	A	96.7	Very high	93.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.1	-45.3	-178.6	0	0	0	0	0	112.1	I356 M374 K392 L393 L394 V399 C400	I356-A396 HydrophobicContact CG1-CB 3.83Å; M374-A396 HydrophobicContact CE-CB 4.2Å; K392-A396 WeakPolarHBondContact O-CB 3.04Å; K392-A396 PolarHBondContact O-N 2.86Å; K392-A396 VanDerWaalsContact O-N 3.15Å; L393-A396 PolarHBondContact O-N 3.25Å; L394-A396 VanDerWaalsContact C-N 3.31Å; L394-A396 PolarHBondContact O-N 2.9Å; A396-V399 PolarHBondContact O-N 3.09Å; A396-C400 PolarHBondContact O-N 3Å; A396-C400 VanDerWaalsContact O-N 3.14Å
397	L	97.2	Very high	93.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-35.1	-179.7	-71.5	174.7	0	0	0	112.1	C371 M374 L393 L394 V399 C400 F401 A415 L416 L419	C371-L397 HydrophobicContact CB-CD2 4.41Å; M374-L397 HydrophobicContact CB-CD2 4.28Å; M374-L397 HydrophobicContact SD-CD2 3.63Å; M374-L397 HydrophobicContact SD-CG 3.86Å; L393-L397 WeakPolarHBondContact O-CB 2.98Å; L393-L397 VanDerWaalsContact O-CG 3.3Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 3.43Å; L394-L397 PolarHBondContact O-N 3.1Å; L397-V399 VanDerWaalsContact C-N 3.31Å; L397-V399 PolarHBondContact O-N 3.07Å; L397-C400 CarbonylContact O-C 3.19Å; L397-C400 PolarHBondContact O-N 3.01Å; L397-F401 VanDerWaalsContact O-CB 3.3Å; L397-F401 WeakPolarHBondContact O-CB 3.31Å; L397-F401 PolarHBondContact O-N 3.49Å; L397-A415 HydrophobicContact CD1-CB 3.92Å; L397-A415 HydrophobicContact CD2-CB 3.55Å; L397-A415 HydrophobicContact CG-CB 4.39Å; L397-L416 HydrophobicContact CB-CB 4.37Å; L397-L416 HydrophobicContact CB-CD1 4.02Å; L397-L419 HydrophobicContact CD1-CB 4.41Å; L397-L419 HydrophobicContact CD1-CD2 4.09Å
398	I	95.3	Very high	93	Very high	52 Å²	52	29 Å²	29	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-60.1	-42.6	173.9	-70.7	170.9	0	0	0	110.8	L394 F401 H432 M436	L394-I398 HydrophobicContact CD1-CD1 3.88Å; L394-I398 HydrophobicContact CD1-CG1 4.21Å; L394-I398 HydrophobicContact CG-CD1 3.74Å; L394-I398 HydrophobicContact CG-CG1 4.44Å; L394-I398 WeakPolarHBondContact O-CB 3.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.22Å; L394-I398 PolarHBondContact O-N 2.91Å; I398-F401 WeakPolarHBondContact O-CB 3.48Å; I398-F401 PolarHBondContact O-N 3.17Å; I398-H432 WeakPolarHBondContact CD1-NE2 3.34Å; I398-M436 HydrophobicContact CD1-CE 4.21Å; I398-M436 HydrophobicContact CD1-SD 3.97Å; I398-M436 HydrophobicContact CG1-CE 3.72Å; I398-M436 HydrophobicContact CG1-SD 3.83Å; I398-M436 HydrophobicContact CG2-CE 4.47Å
399	V	92.7	Very high	92.8	Very high	51 Å²	51	24.2 Å²	24.2	31%	0.309	14%	0.142	S	C	.	.	H	α-helix	trans	-62.3	-45.8	175.7	171.8	0	0	0	0	110.7	D395 A396 L397 F401 G402	D395-V399 WeakPolarHBondContact O-CG2 3.38Å; D395-V399 PolarHBondContact O-N 3.27Å; A396-V399 PolarHBondContact O-N 3.09Å; L397-V399 VanDerWaalsContact C-N 3.31Å; L397-V399 PolarHBondContact O-N 3.07Å; V399-F401 VanDerWaalsContact C-N 3.29Å; V399-F401 PolarHBondContact O-N 3.35Å; V399-G402 PolarHBondContact O-N 3.21Å
400	C	93.7	Very high	92.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-70.6	-23.4	178.3	-68.1	0	0	0	0	113.7	C371 A396 L397 G402 D403 V408 A412	C371-C400 VanDerWaalsContact SG-CB 3.56Å; A396-C400 PolarHBondContact O-N 3Å; A396-C400 VanDerWaalsContact O-N 3.14Å; L397-C400 CarbonylContact O-C 3.19Å; L397-C400 PolarHBondContact O-N 3.01Å; C400-G402 PolarHBondContact O-N 3.22Å; C400-D403 WeakPolarHBondContact O-CB 3.25Å; C400-D403 PolarHBondContact O-N 2.94Å; C400-D403 VanDerWaalsContact O-N 3.12Å; C400-V408 HydrophobicContact CB-CG1 3.95Å; C400-A412 VanDerWaalsContact C-CB 3.44Å; C400-A412 HydrophobicContact CB-CB 3.61Å
401	F	92.6	Very high	92.7	Very high	2 Å²	2	26 Å²	26	1%	0.009	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-28.5	176.5	-164.4	-81.9	0	0	0	111.8	L397 I398 V399 A412 C413 L416 Q439 F440 N443	L397-F401 VanDerWaalsContact O-CB 3.3Å; L397-F401 WeakPolarHBondContact O-CB 3.31Å; L397-F401 PolarHBondContact O-N 3.49Å; I398-F401 WeakPolarHBondContact O-CB 3.48Å; I398-F401 PolarHBondContact O-N 3.17Å; V399-F401 VanDerWaalsContact C-N 3.29Å; V399-F401 PolarHBondContact O-N 3.35Å; F401-A412 HydrophobicContact CB-CB 4.44Å; F401-C413 HydrophobicContact CD2-CB 4.28Å; F401-C413 HydrophobicContact CE2-CB 3.87Å; F401-L416 HydrophobicContact CB-CD2 4.4Å; F401-L416 HydrophobicContact CD2-CB 4.33Å; F401-L416 HydrophobicContact CD2-CD2 3.43Å; F401-L416 VanDerWaalsContact CD2-CD2 3.43Å; F401-L416 HydrophobicContact CE2-CD2 3.88Å; F401-L416 HydrophobicContact CG-CD2 4.07Å; F401-Q439 HydrophobicContact CD1-CB 4.26Å; F401-Q439 HydrophobicContact CE1-CB 3.7Å; F401-Q439 VanDerWaalsContact CE1-O 3.27Å; F401-Q439 WeakPolarHBondContact CE1-O 3.37Å; F401-Q439 HydrophobicContact CZ-CB 4.19Å; F401-Q439 WeakPolarHBondContact CZ-O 3.46Å; F401-F440 AromaticContact CE2-CD1 3.99Å; F401-F440 HydrophobicContact CE2-CD1 3.99Å; F401-F440 AromaticContact CE2-CE1 3.77Å; F401-F440 HydrophobicContact CE2-CE1 3.77Å; F401-F440 HydrophobicContact CE2-CZ 4.26Å; F401-F440 HydrophobicContact CZ-CD1 4.04Å; F401-F440 HydrophobicContact CZ-CE1 4.29Å; F401-F440 HydrophobicContact CZ-CG 4.42Å; F401-N443 HydrophobicContact CE1-CB 4.29Å; F401-N443 VanDerWaalsContact CE1-ND2 3.27Å; F401-N443 WeakPolarHBondContact CE1-ND2 3.25Å; F401-N443 WeakPolarHBondContact CE1-OD1 3.43Å; F401-N443 HydrophobicContact CZ-CB 3.99Å; F401-N443 VanDerWaalsContact CZ-CG 3.45Å; F401-N443 WeakPolarHBondContact CZ-ND2 3.31Å
402	G	86.8	Confident	92.7	Very high	47 Å²	47	24.4 Å²	24.4	49%	0.485	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	20.4	172.9	0	0	0	0	0	114.2	V399 C400	V399-G402 PolarHBondContact O-N 3.21Å; C400-G402 PolarHBondContact O-N 3.22Å
403	D	88.3	Confident	92.7	Very high	9 Å²	9	19.7 Å²	19.7	5%	0.048	12%	0.116	C	C	.	.			trans	-65.8	148	-176.7	-159.5	-80	0	0	0	112.7	R367 C400 S405 V408 R409	R367-D403 IonicContact CZ-OD1 2.69Å; R367-D403 IonicContact CZ-OD2 3.19Å; R367-D403 IonicContact NE-OD1 3.17Å; R367-D403 IonicContact NE-OD2 3.92Å; R367-D403 PolarHBondContact NE-OD2 2.91Å; R367-D403 IonicContact NH2-OD1 3.46Å; R367-D403 PolarHBondContact NH2-OD1 2.76Å; R367-D403 IonicContact NH2-OD2 3.37Å; R367-D403 PolarHBondContact NH2-OD2 3.14Å; C400-D403 WeakPolarHBondContact O-CB 3.25Å; C400-D403 PolarHBondContact O-N 2.94Å; C400-D403 VanDerWaalsContact O-N 3.12Å; D403-S405 PolarHBondContact O-N 3.14Å; D403-S405 WeakPolarHBondContact OD1-CB 3.36Å; D403-S405 PolarHBondContact OD1-N 3.02Å; D403-V408 HydrophobicContact CB-CB 3.76Å; D403-V408 HydrophobicContact CB-CG1 3.58Å; D403-R409 HydrophobicContact CB-CG 4.24Å; D403-R409 WeakPolarHBondContact O-CD 3.4Å; D403-R409 WeakPolarHBondContact O-CG 3.18Å; D403-R409 PolarHBondContact O-NH1 3.08Å; D403-R409 VanDerWaalsContact O-NH1 3.1Å
404	E	80.9	Confident	92.7	Very high	45 Å²	45	22.4 Å²	22.4	21%	0.21	13%	0.132	C	C	.	.	S	Bend	trans	-64.8	-27.4	178.5	-63.5	164.7	-174.7	0	0	111.7	R409 L539 H540	E404-R409 PolarHBondContact O-NH1 3.44Å; E404-L539 VanDerWaalsContact OE1-CB 3.27Å; E404-L539 WeakPolarHBondContact OE1-CB 3.47Å; E404-L539 WeakPolarHBondContact OE2-CD1 3.35Å; E404-L539 VanDerWaalsContact OE2-CG 3.22Å; E404-L539 WeakPolarHBondContact OE2-CG 3.5Å; E404-L539 PolarHBondContact OE2-N 3.24Å; E404-H540 IonicContact OE1-CE1 3.97Å; E404-H540 IonicContact OE1-ND1 3.25Å; E404-H540 PolarHBondContact OE1-ND1 2.91Å
405	S	85.8	Confident	92.7	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	13%	0.132	C	C	.	.	S	Bend	trans	-92.8	117.6	179.9	-167.2	0	0	0	0	110.7	H364 D403 P407 V408 R409	H364-S405 VanDerWaalsContact CB-OG 3.28Å; H364-S405 WeakPolarHBondContact CB-OG 3.29Å; H364-S405 PolarHBondContact CD2-OG 3.32Å; D403-S405 PolarHBondContact O-N 3.14Å; D403-S405 WeakPolarHBondContact OD1-CB 3.36Å; D403-S405 PolarHBondContact OD1-N 3.02Å; S405-P407 VanDerWaalsContact C-N 3.35Å; S405-P407 VanDerWaalsContact OG-CD 3.29Å; S405-P407 WeakPolarHBondContact OG-CD 3.47Å; S405-V408 WeakPolarHBondContact O-CB 3.41Å; S405-V408 PolarHBondContact O-N 2.62Å; S405-R409 PolarHBondContact O-N 3.14Å; S405-R409 VanDerWaalsContact O-N 3.07Å
406	W	86.9	Confident	92.8	Very high	37 Å²	37	18 Å²	18	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-56.2	-35.2	-179.7	73	-100.1	0	0	0	115.1	V408 R409 D410 I448 S450 V451 Q527 V528	W406-V408 VanDerWaalsContact C-N 3.26Å; W406-V408 PolarHBondContact O-N 2.69Å; W406-R409 PolarHBondContact O-N 2.68Å; W406-D410 WeakPolarHBondContact O-CB 3.4Å; W406-D410 PolarHBondContact O-N 2.94Å; W406-I448 HydrophobicContact CB-CG1 3.85Å; W406-I448 HydrophobicContact CD2-CG1 4.42Å; W406-I448 HydrophobicContact CD2-CG2 3.93Å; W406-I448 HydrophobicContact CE3-CG2 3.69Å; W406-I448 HydrophobicContact CG-CD1 4.32Å; W406-I448 HydrophobicContact CG-CG1 3.95Å; W406-I448 HydrophobicContact CG-CG2 4.32Å; W406-I448 HydrophobicContact CZ3-CG2 4.26Å; W406-S450 WeakPolarHBondContact CZ3-OG 3.21Å; W406-V451 HydrophobicContact CB-CG2 4.41Å; W406-Q527 PolarHBondContact NE1-O 3.06Å; W406-V528 HydrophobicContact CZ2-CG1 4.09Å
407	P	90.8	Very high	92.8	Very high	11 Å²	11	18 Å²	18	7%	0.071	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-34.8	175.3	-21.4	34.3	0	0	0	112.1	E368 S405 A411	E368-P407 HydrophobicContact CG-CB 4.34Å; S405-P407 VanDerWaalsContact C-N 3.35Å; S405-P407 VanDerWaalsContact OG-CD 3.29Å; S405-P407 WeakPolarHBondContact OG-CD 3.47Å; P407-A411 WeakPolarHBondContact O-CB 3.4Å; P407-A411 PolarHBondContact O-N 3.28Å
408	V	93.2	Very high	92.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.5	-43.8	175.4	-175.5	0	0	0	0	110	H364 R367 E368 C400 D403 S405 W406 D410 A411 A412	H364-V408 HydrophobicContact CB-CG2 3.96Å; H364-V408 VanDerWaalsContact O-CG2 3.26Å; H364-V408 WeakPolarHBondContact O-CG2 3.41Å; R367-V408 HydrophobicContact CB-CG1 3.82Å; R367-V408 HydrophobicContact CB-CG2 3.83Å; E368-V408 HydrophobicContact CB-CG2 4.21Å; C400-V408 HydrophobicContact CB-CG1 3.95Å; D403-V408 HydrophobicContact CB-CB 3.76Å; D403-V408 HydrophobicContact CB-CG1 3.58Å; S405-V408 WeakPolarHBondContact O-CB 3.41Å; S405-V408 PolarHBondContact O-N 2.62Å; W406-V408 VanDerWaalsContact C-N 3.26Å; W406-V408 PolarHBondContact O-N 2.69Å; V408-D410 VanDerWaalsContact C-N 3.32Å; V408-D410 PolarHBondContact O-N 2.88Å; V408-A411 PolarHBondContact O-N 2.79Å; V408-A412 WeakPolarHBondContact O-CB 3.46Å; V408-A412 PolarHBondContact O-N 2.82Å
409	R	92.6	Very high	93	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.045	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-44.5	174.6	-62.5	-159.2	-63	-86	9.9	112	D403 E404 S405 W406 A412 C413 D446 D526	D403-R409 HydrophobicContact CB-CG 4.24Å; D403-R409 WeakPolarHBondContact O-CD 3.4Å; D403-R409 WeakPolarHBondContact O-CG 3.18Å; D403-R409 PolarHBondContact O-NH1 3.08Å; D403-R409 VanDerWaalsContact O-NH1 3.1Å; E404-R409 PolarHBondContact O-NH1 3.44Å; S405-R409 PolarHBondContact O-N 3.14Å; S405-R409 VanDerWaalsContact O-N 3.07Å; W406-R409 PolarHBondContact O-N 2.68Å; R409-A412 PolarHBondContact O-N 3.35Å; R409-C413 WeakPolarHBondContact O-CB 3.25Å; R409-C413 PolarHBondContact O-N 3.32Å; R409-D446 IonicContact CZ-OD2 2.76Å; R409-D446 IonicContact NE-OD2 2.62Å; R409-D446 PolarHBondContact NE-OD2 2.71Å; R409-D446 IonicContact NH2-OD1 2.72Å; R409-D446 IonicContact NH2-OD2 3.01Å; R409-D446 PolarHBondContact NH2-OD2 2.99Å; R409-D526 IonicContact CZ-OD2 3.79Å; R409-D526 IonicContact NH1-OD1 2.84Å; R409-D526 IonicContact NH1-OD2 2.79Å; R409-D526 IonicContact NH2-OD1 3.26Å; R409-D526 IonicContact NH2-OD2 3.23Å; R409-D526 PolarHBondContact NH2-OD2 2.8Å
410	D	93.2	Very high	93.3	Very high	31 Å²	31	14.2 Å²	14.2	17%	0.166	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-53.4	178.8	-167.7	6.6	0	0	0	111.2	W406 V408 A412 C413 V414 S450 V451	W406-D410 WeakPolarHBondContact O-CB 3.4Å; W406-D410 PolarHBondContact O-N 2.94Å; V408-D410 VanDerWaalsContact C-N 3.32Å; V408-D410 PolarHBondContact O-N 2.88Å; D410-A412 VanDerWaalsContact C-N 3.34Å; D410-A412 PolarHBondContact O-N 3.47Å; D410-C413 VanDerWaalsContact O-CB 3.3Å; D410-C413 WeakPolarHBondContact O-CB 3.45Å; D410-C413 PolarHBondContact O-N 3.22Å; D410-C413 VanDerWaalsContact O-N 3.13Å; D410-V414 PolarHBondContact O-N 2.7Å; D410-V414 VanDerWaalsContact O-N 3.11Å; D410-S450 WeakPolarHBondContact OD2-CB 3.42Å; D410-S450 PolarHBondContact OD2-OG 3.47Å; D410-V451 HydrophobicContact CB-CG2 3.89Å
411	A	96.1	Very high	93.4	Very high	18 Å²	18	15.6 Å²	15.6	15%	0.149	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-41.1	177.9	0	0	0	0	0	112.4	E368 C371 P407 V408 C413 A415	E368-A411 HydrophobicContact CG-CB 3.98Å; C371-A411 HydrophobicContact CB-CB 3.69Å; P407-A411 WeakPolarHBondContact O-CB 3.4Å; P407-A411 PolarHBondContact O-N 3.28Å; V408-A411 PolarHBondContact O-N 2.79Å; A411-C413 VanDerWaalsContact C-N 3.35Å; A411-A415 VanDerWaalsContact O-CB 3.27Å; A411-A415 WeakPolarHBondContact O-CB 3.24Å; A411-A415 PolarHBondContact O-N 3.34Å
412	A	96.9	Very high	93.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-37.6	175.7	0	0	0	0	0	111.8	C400 F401 V408 R409 D410 A415 L416	C400-A412 VanDerWaalsContact C-CB 3.44Å; C400-A412 HydrophobicContact CB-CB 3.61Å; F401-A412 HydrophobicContact CB-CB 4.44Å; V408-A412 WeakPolarHBondContact O-CB 3.46Å; V408-A412 PolarHBondContact O-N 2.82Å; R409-A412 PolarHBondContact O-N 3.35Å; D410-A412 VanDerWaalsContact C-N 3.34Å; D410-A412 PolarHBondContact O-N 3.47Å; A412-A415 PolarHBondContact O-N 2.89Å; A412-L416 WeakPolarHBondContact O-CB 3.29Å; A412-L416 PolarHBondContact O-N 3.2Å
413	C	96.7	Very high	94.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-50.8	176.7	-172.8	0	0	0	0	111.2	F401 R409 D410 A411 L416 G417 A455 S458	F401-C413 HydrophobicContact CD2-CB 4.28Å; F401-C413 HydrophobicContact CE2-CB 3.87Å; R409-C413 WeakPolarHBondContact O-CB 3.25Å; R409-C413 PolarHBondContact O-N 3.32Å; D410-C413 VanDerWaalsContact O-CB 3.3Å; D410-C413 WeakPolarHBondContact O-CB 3.45Å; D410-C413 PolarHBondContact O-N 3.22Å; D410-C413 VanDerWaalsContact O-N 3.13Å; A411-C413 VanDerWaalsContact C-N 3.35Å; C413-L416 PolarHBondContact O-N 3.23Å; C413-G417 PolarHBondContact O-N 3.12Å; C413-A455 WeakPolarHBondContact SG-CA 3.47Å; C413-S458 PolarHBondContact O-OG 2.89Å; C413-S458 VanDerWaalsContact O-OG 3.13Å
414	V	96.4	Very high	94.7	Very high	58 Å²	58	16.3 Å²	16.3	35%	0.352	9%	0.094	S	C	.	.	H	α-helix	trans	-65.2	-40.9	177.9	176.8	0	0	0	0	111.9	D410 S418	D410-V414 PolarHBondContact O-N 2.7Å; D410-V414 VanDerWaalsContact O-N 3.11Å; V414-S418 WeakPolarHBondContact O-CB 3.26Å; V414-S418 PolarHBondContact O-N 2.9Å; V414-S418 PolarHBondContact O-OG 3.46Å
415	A	98.1	Very high	95.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-45.2	178.3	0	0	0	0	0	111.9	C371 A375 L397 A411 A412 S418 L419	C371-A415 WeakPolarHBondContact O-CB 3.25Å; A375-A415 HydrophobicContact CB-CB 3.78Å; L397-A415 HydrophobicContact CD1-CB 3.92Å; L397-A415 HydrophobicContact CD2-CB 3.55Å; L397-A415 HydrophobicContact CG-CB 4.39Å; A411-A415 VanDerWaalsContact O-CB 3.27Å; A411-A415 WeakPolarHBondContact O-CB 3.24Å; A411-A415 PolarHBondContact O-N 3.34Å; A412-A415 PolarHBondContact O-N 2.89Å; A415-S418 WeakPolarHBondContact O-CB 3.19Å; A415-S418 PolarHBondContact O-N 3.19Å; A415-L419 PolarHBondContact O-N 3.23Å
416	L	97.7	Very high	96	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-41.8	178.7	-172.3	63.6	0	0	0	111	L394 L397 F401 A412 C413 S418 L419 I420 M436 F440	L394-L416 HydrophobicContact CD1-CD1 3.58Å; L397-L416 HydrophobicContact CB-CB 4.37Å; L397-L416 HydrophobicContact CB-CD1 4.02Å; F401-L416 HydrophobicContact CB-CD2 4.4Å; F401-L416 HydrophobicContact CD2-CB 4.33Å; F401-L416 HydrophobicContact CD2-CD2 3.43Å; F401-L416 VanDerWaalsContact CD2-CD2 3.43Å; F401-L416 HydrophobicContact CE2-CD2 3.88Å; F401-L416 HydrophobicContact CG-CD2 4.07Å; A412-L416 WeakPolarHBondContact O-CB 3.29Å; A412-L416 PolarHBondContact O-N 3.2Å; C413-L416 PolarHBondContact O-N 3.23Å; L416-S418 VanDerWaalsContact C-N 3.3Å; L416-S418 PolarHBondContact O-N 3.41Å; L416-L419 PolarHBondContact O-N 3.32Å; L416-I420 HydrophobicContact CD1-CD1 3.89Å; L416-I420 HydrophobicContact CD1-CG1 4.14Å; L416-I420 HydrophobicContact CD2-CD1 4.39Å; L416-I420 HydrophobicContact CG-CD1 3.71Å; L416-I420 HydrophobicContact CG-CG1 4.3Å; L416-I420 WeakPolarHBondContact O-CB 3.39Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å; L416-I420 PolarHBondContact O-N 2.92Å; L416-M436 HydrophobicContact CD1-SD 4.28Å; L416-M436 HydrophobicContact CD2-CE 3.81Å; L416-M436 HydrophobicContact CD2-SD 3.75Å; L416-M436 HydrophobicContact CG-SD 4.38Å; L416-F440 HydrophobicContact CB-CZ 4.28Å; L416-F440 HydrophobicContact CD2-CE2 4.5Å; L416-F440 HydrophobicContact CD2-CZ 4.12Å; L416-F440 HydrophobicContact CG-CZ 4.03Å
417	G	97.8	Very high	96.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-56.8	-43.2	171.8	0	0	0	0	0	112.8	C413 S421	C413-G417 PolarHBondContact O-N 3.12Å; G417-S421 VanDerWaalsContact O-CB 3.25Å; G417-S421 WeakPolarHBondContact O-CB 3.32Å; G417-S421 PolarHBondContact O-N 3.25Å; G417-S421 PolarHBondContact O-OG 2.99Å
418	S	97.6	Very high	96.7	Very high	23 Å²	23	23 Å²	23	16%	0.161	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-41.8	175.3	-57.3	0	0	0	0	112.2	V378 V414 A415 L416 S421 T422	V378-S418 WeakPolarHBondContact CG1-O 3.42Å; V414-S418 WeakPolarHBondContact O-CB 3.26Å; V414-S418 PolarHBondContact O-N 2.9Å; V414-S418 PolarHBondContact O-OG 3.46Å; A415-S418 WeakPolarHBondContact O-CB 3.19Å; A415-S418 PolarHBondContact O-N 3.19Å; L416-S418 VanDerWaalsContact C-N 3.3Å; L416-S418 PolarHBondContact O-N 3.41Å; S418-S421 PolarHBondContact O-OG 3.23Å; S418-T422 WeakPolarHBondContact O-CB 3.23Å; S418-T422 PolarHBondContact O-N 2.86Å; S418-T422 PolarHBondContact O-OG1 2.88Å
419	L	98.3	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-51.4	178.9	-175.2	71.4	0	0	0	111.1	V378 L393 L394 L397 A415 L416 S421 T422 F423	V378-L419 HydrophobicContact CG1-CB 4.49Å; V378-L419 HydrophobicContact CG1-CD1 4.5Å; V378-L419 HydrophobicContact CG2-CB 4.42Å; V378-L419 HydrophobicContact CG2-CD1 3.71Å; L393-L419 HydrophobicContact CB-CD1 4.32Å; L393-L419 HydrophobicContact CB-CD2 3.95Å; L393-L419 HydrophobicContact CD1-CD1 4.23Å; L394-L419 HydrophobicContact CB-CD2 4.03Å; L394-L419 HydrophobicContact CD1-CD2 4.32Å; L397-L419 HydrophobicContact CD1-CB 4.41Å; L397-L419 HydrophobicContact CD1-CD2 4.09Å; A415-L419 PolarHBondContact O-N 3.23Å; L416-L419 PolarHBondContact O-N 3.32Å; L419-S421 PolarHBondContact O-N 2.92Å; L419-T422 PolarHBondContact O-N 3.47Å; L419-T422 VanDerWaalsContact O-N 3.14Å; L419-F423 HydrophobicContact CD1-CD2 3.75Å; L419-F423 HydrophobicContact CD1-CE2 4.08Å; L419-F423 HydrophobicContact CG-CD2 4.47Å; L419-F423 WeakPolarHBondContact O-CD2 3.45Å; L419-F423 PolarHBondContact O-N 2.87Å
420	I	98.2	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-41.3	-177	-65.2	175.7	0	0	0	110.9	L416 T422 F423 P424 T427 L435 M436 F440 I462	L416-I420 HydrophobicContact CD1-CD1 3.89Å; L416-I420 HydrophobicContact CD1-CG1 4.14Å; L416-I420 HydrophobicContact CD2-CD1 4.39Å; L416-I420 HydrophobicContact CG-CD1 3.71Å; L416-I420 HydrophobicContact CG-CG1 4.3Å; L416-I420 WeakPolarHBondContact O-CB 3.39Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å; L416-I420 PolarHBondContact O-N 2.92Å; I420-T422 PolarHBondContact O-N 3.1Å; I420-F423 CarbonylContact O-C 3.57Å; I420-F423 PolarHBondContact O-N 3.47Å; I420-P424 VanDerWaalsContact O-CA 3.23Å; I420-P424 WeakPolarHBondContact O-CA 3.44Å; I420-P424 VanDerWaalsContact O-CD 3.25Å; I420-P424 WeakPolarHBondContact O-CD 3.29Å; I420-T427 HydrophobicContact CB-CG2 4.45Å; I420-T427 HydrophobicContact CD1-CG2 4.02Å; I420-T427 HydrophobicContact CG1-CG2 3.7Å; I420-T427 HydrophobicContact CG2-CG2 4.13Å; I420-L435 HydrophobicContact CG2-CB 4.02Å; I420-L435 HydrophobicContact CG2-CD2 3.97Å; I420-L435 HydrophobicContact CG2-CG 4.42Å; I420-M436 HydrophobicContact CD1-CB 4.38Å; I420-M436 HydrophobicContact CD1-CG 4.25Å; I420-M436 HydrophobicContact CD1-SD 4.02Å; I420-F440 HydrophobicContact CD1-CE2 3.8Å; I420-F440 HydrophobicContact CD1-CZ 4.18Å; I420-I462 HydrophobicContact CB-CD1 4.1Å; I420-I462 HydrophobicContact CB-CG1 4.09Å; I420-I462 HydrophobicContact CD1-CD1 4.43Å; I420-I462 HydrophobicContact CG2-CD1 3.93Å; I420-I462 HydrophobicContact CG2-CG1 3.83Å; I420-I462 HydrophobicContact CG2-CG2 4.11Å
421	S	97.6	Very high	97.1	Very high	29 Å²	29	31 Å²	31	20%	0.203	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-21.3	176.4	59.7	0	0	0	0	113.6	G417 S418 L419 A461 S465	G417-S421 VanDerWaalsContact O-CB 3.25Å; G417-S421 WeakPolarHBondContact O-CB 3.32Å; G417-S421 PolarHBondContact O-N 3.25Å; G417-S421 PolarHBondContact O-OG 2.99Å; S418-S421 PolarHBondContact O-OG 3.23Å; L419-S421 PolarHBondContact O-N 2.92Å; S421-A461 WeakPolarHBondContact CB-O 3.38Å; S421-S465 WeakPolarHBondContact O-CB 3.47Å
422	T	97.8	Very high	97	Very high	54 Å²	54	32.2 Å²	32.2	33%	0.331	20%	0.204	S	C	.	.	H	α-helix	trans	-86.8	-35.9	174.2	-54.7	0	0	0	0	111.9	S418 L419 I420 P424	S418-T422 WeakPolarHBondContact O-CB 3.23Å; S418-T422 PolarHBondContact O-N 2.86Å; S418-T422 PolarHBondContact O-OG1 2.88Å; L419-T422 PolarHBondContact O-N 3.47Å; L419-T422 VanDerWaalsContact O-N 3.14Å; I420-T422 PolarHBondContact O-N 3.1Å; T422-P424 VanDerWaalsContact C-CD 3.42Å
423	F	97.9	Very high	96.9	Very high	6 Å²	6	38 Å²	38	3%	0.026	24%	0.235	C	C	.	.			trans	-128.1	57.2	-175	-56.1	-74.4	0	0	0	112.7	S383 L386 L387 V390 L419 I420 N425 E426 T427	S383-F423 WeakPolarHBondContact O-CE1 3.44Å; S383-F423 VanDerWaalsContact O-CZ 3.29Å; S383-F423 WeakPolarHBondContact O-CZ 3.25Å; L386-F423 HydrophobicContact CB-CE2 4.14Å; L386-F423 HydrophobicContact CB-CZ 3.76Å; L386-F423 HydrophobicContact CD1-CE2 4.44Å; L386-F423 HydrophobicContact CD1-CZ 4.44Å; L387-F423 HydrophobicContact CD2-CD1 3.74Å; L387-F423 HydrophobicContact CD2-CE1 3.65Å; L387-F423 HydrophobicContact CG-CE1 4.08Å; V390-F423 HydrophobicContact CG1-CB 4.12Å; V390-F423 HydrophobicContact CG1-CG 4.37Å; V390-F423 HydrophobicContact CG2-CB 4.3Å; V390-F423 HydrophobicContact CG2-CD1 3.92Å; V390-F423 HydrophobicContact CG2-CD2 3.73Å; V390-F423 HydrophobicContact CG2-CE1 4.12Å; V390-F423 HydrophobicContact CG2-CE2 3.95Å; V390-F423 HydrophobicContact CG2-CG 3.71Å; V390-F423 HydrophobicContact CG2-CZ 4.14Å; L419-F423 HydrophobicContact CD1-CD2 3.75Å; L419-F423 HydrophobicContact CD1-CE2 4.08Å; L419-F423 HydrophobicContact CG-CD2 4.47Å; L419-F423 WeakPolarHBondContact O-CD2 3.45Å; L419-F423 PolarHBondContact O-N 2.87Å; I420-F423 CarbonylContact O-C 3.57Å; I420-F423 PolarHBondContact O-N 3.47Å; F423-N425 VanDerWaalsContact C-N 3.29Å; F423-N425 PolarHBondContact O-N 3.09Å; F423-E426 VanDerWaalsContact CA-OE2 3.31Å; F423-E426 WeakPolarHBondContact CA-OE2 3.2Å; F423-E426 HydrophobicContact CB-CB 4.12Å; F423-E426 HydrophobicContact CB-CG 4.4Å; F423-E426 WeakPolarHBondContact CB-OE2 3.44Å; F423-E426 PolarHBondContact O-N 2.94Å; F423-T427 WeakPolarHBondContact O-CB 3.31Å; F423-T427 PolarHBondContact O-N 3.31Å; F423-T427 PolarHBondContact O-OG1 3.06Å
424	P	97.4	Very high	96.8	Very high	14 Å²	14	41 Å²	41	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-33.5	-174.4	24.8	-33.7	0	0	0	112.1	I420 T422 R428 L435 V466	I420-P424 VanDerWaalsContact O-CA 3.23Å; I420-P424 WeakPolarHBondContact O-CA 3.44Å; I420-P424 VanDerWaalsContact O-CD 3.25Å; I420-P424 WeakPolarHBondContact O-CD 3.29Å; T422-P424 VanDerWaalsContact C-CD 3.42Å; P424-R428 WeakPolarHBondContact O-CG 3.37Å; P424-R428 PolarHBondContact O-N 2.85Å; P424-L435 HydrophobicContact CB-CD1 4.47Å; P424-L435 HydrophobicContact CB-CD2 4.24Å; P424-L435 WeakPolarHBondContact O-CD2 3.3Å; P424-V466 HydrophobicContact CB-CG1 3.45Å; P424-V466 VanDerWaalsContact CB-CG1 3.45Å; P424-V466 HydrophobicContact CG-CG1 3.88Å
425	N	96.7	Very high	96.8	Very high	111 Å²	111	38.2 Å²	38.2	59%	0.594	23%	0.234	S	C	*	.	H	α-helix	trans	-71.4	-43.2	-179	-66.7	-29.4	0	0	0	111.6	F423 T427 R428 A429	F423-N425 VanDerWaalsContact C-N 3.29Å; F423-N425 PolarHBondContact O-N 3.09Å; N425-T427 VanDerWaalsContact C-N 3.3Å; N425-R428 PolarHBondContact O-N 3.48Å; N425-A429 WeakPolarHBondContact O-CB 3.15Å; N425-A429 PolarHBondContact O-N 3.38Å
426	E	97.4	Very high	96.7	Very high	67 Å²	67	38.3 Å²	38.3	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-66.8	-35.4	177	-62.9	73.1	-169.1	0	0	110.8	L387 V390 F423 A429 S430	L387-E426 HydrophobicContact CD2-CG 4.22Å; L387-E426 WeakPolarHBondContact CD2-OE1 3.33Å; V390-E426 HydrophobicContact CG1-CB 3.95Å; F423-E426 VanDerWaalsContact CA-OE2 3.31Å; F423-E426 WeakPolarHBondContact CA-OE2 3.2Å; F423-E426 HydrophobicContact CB-CB 4.12Å; F423-E426 HydrophobicContact CB-CG 4.4Å; F423-E426 WeakPolarHBondContact CB-OE2 3.44Å; F423-E426 PolarHBondContact O-N 2.94Å; E426-A429 PolarHBondContact O-N 3.23Å; E426-S430 WeakPolarHBondContact O-CB 3.43Å; E426-S430 PolarHBondContact O-N 2.93Å; E426-S430 PolarHBondContact O-OG 3.19Å
427	T	97.2	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-48.1	173.9	-53.4	0	0	0	0	110.8	L394 I420 F423 N425 S430 H432 L435	L394-T427 HydrophobicContact CD1-CG2 4.33Å; L394-T427 HydrophobicContact CD2-CG2 4.33Å; I420-T427 HydrophobicContact CB-CG2 4.45Å; I420-T427 HydrophobicContact CD1-CG2 4.02Å; I420-T427 HydrophobicContact CG1-CG2 3.7Å; I420-T427 HydrophobicContact CG2-CG2 4.13Å; F423-T427 WeakPolarHBondContact O-CB 3.31Å; F423-T427 PolarHBondContact O-N 3.31Å; F423-T427 PolarHBondContact O-OG1 3.06Å; N425-T427 VanDerWaalsContact C-N 3.3Å; T427-S430 WeakPolarHBondContact O-CB 3.4Å; T427-S430 PolarHBondContact O-N 3.46Å; T427-S430 VanDerWaalsContact O-N 3.16Å; T427-H432 HydrophobicContact CG2-CB 4.07Å; T427-H432 PolarHBondContact O-N 3.03Å; T427-L435 HydrophobicContact CG2-CD2 4.29Å
428	R	97	Very high	96.5	Very high	58 Å²	58	41.7 Å²	41.7	22%	0.219	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-45.6	174.2	-68.9	-168.9	177.6	113.1	-10.6	112	P424 N425 S430 G431 D433 L435 D468	P424-R428 WeakPolarHBondContact O-CG 3.37Å; P424-R428 PolarHBondContact O-N 2.85Å; N425-R428 PolarHBondContact O-N 3.48Å; R428-S430 PolarHBondContact O-N 3.48Å; R428-S430 VanDerWaalsContact O-N 3.09Å; R428-G431 PolarHBondContact O-N 2.88Å; R428-D433 PolarHBondContact NE-O 3.41Å; R428-L435 HydrophobicContact CG-CD2 3.59Å; R428-L435 HydrophobicContact CG-CG 4.37Å; R428-D468 IonicContact NH2-OD2 3.99Å; R428-D468 PolarHBondContact NH2-OD2 2.79Å
429	A	96	Very high	96.3	Very high	90 Å²	90	43.4 Å²	43.4	74%	0.744	26%	0.264	S	S	*	.	H	α-helix	trans	-60.7	-21.2	177	0	0	0	0	0	113.4	N425 E426 G431	N425-A429 WeakPolarHBondContact O-CB 3.15Å; N425-A429 PolarHBondContact O-N 3.38Å; E426-A429 PolarHBondContact O-N 3.23Å; A429-G431 VanDerWaalsContact C-N 3.27Å
430	S	95.2	Very high	96.2	Very high	62 Å²	62	43.4 Å²	43.4	43%	0.434	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.1	174	-55.2	0	0	0	0	113.6	E426 T427 R428	E426-S430 WeakPolarHBondContact O-CB 3.43Å; E426-S430 PolarHBondContact O-N 2.93Å; E426-S430 PolarHBondContact O-OG 3.19Å; T427-S430 WeakPolarHBondContact O-CB 3.4Å; T427-S430 PolarHBondContact O-N 3.46Å; T427-S430 VanDerWaalsContact O-N 3.16Å; R428-S430 PolarHBondContact O-N 3.48Å; R428-S430 VanDerWaalsContact O-N 3.09Å
431	G	95.2	Very high	96.1	Very high	59 Å²	59	43.9 Å²	43.9	61%	0.608	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.6	8	176.5	0	0	0	0	0	115.2	R428 A429	R428-G431 PolarHBondContact O-N 2.88Å; A429-G431 VanDerWaalsContact C-N 3.27Å
432	H	94.9	Very high	95.9	Very high	45 Å²	45	46 Å²	46	21%	0.208	27%	0.27	C	S	.	.			trans	-105.1	66.1	176.4	-58.4	-75.9	0	0	0	110.4	I398 T427 D434 L435 M436	I398-H432 WeakPolarHBondContact CD1-NE2 3.34Å; T427-H432 HydrophobicContact CG2-CB 4.07Å; T427-H432 PolarHBondContact O-N 3.03Å; H432-D434 PolarHBondContact O-N 2.84Å; H432-L435 PolarHBondContact O-N 3.29Å; H432-M436 HydrophobicContact CB-CG 3.95Å
433	D	94	Very high	95.7	Very high	121 Å²	121	43.4 Å²	43.4	65%	0.647	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.3	-175	-72.7	-26.2	0	0	0	113.2	R428 L435	R428-D433 PolarHBondContact NE-O 3.41Å; D433-L435 VanDerWaalsContact C-N 3.26Å; D433-L435 PolarHBondContact O-N 3.39Å
434	D	94.8	Very high	95.7	Very high	62 Å²	62	43.1 Å²	43.1	33%	0.332	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	7.9	177.8	76.3	-25	0	0	0	113.7	H432 M436 A437	H432-D434 PolarHBondContact O-N 2.84Å; D434-M436 PolarHBondContact O-N 3.07Å; D434-M436 WeakPolarHBondContact OD1-CA 3.49Å; D434-M436 PolarHBondContact OD1-N 3.17Å; D434-A437 HydrophobicContact CB-CB 4.31Å; D434-A437 WeakPolarHBondContact O-CB 3.48Å; D434-A437 PolarHBondContact O-N 3.43Å; D434-A437 VanDerWaalsContact O-N 3.13Å; D434-A437 PolarHBondContact OD2-N 2.69Å
435	L	97.2	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.6	-174.9	-57.2	178.3	0	0	0	113	I420 P424 T427 R428 H432 D433 A437 I462 V466 L471	I420-L435 HydrophobicContact CG2-CB 4.02Å; I420-L435 HydrophobicContact CG2-CD2 3.97Å; I420-L435 HydrophobicContact CG2-CG 4.42Å; P424-L435 HydrophobicContact CB-CD1 4.47Å; P424-L435 HydrophobicContact CB-CD2 4.24Å; P424-L435 WeakPolarHBondContact O-CD2 3.3Å; T427-L435 HydrophobicContact CG2-CD2 4.29Å; R428-L435 HydrophobicContact CG-CD2 3.59Å; R428-L435 HydrophobicContact CG-CG 4.37Å; H432-L435 PolarHBondContact O-N 3.29Å; D433-L435 VanDerWaalsContact C-N 3.26Å; D433-L435 PolarHBondContact O-N 3.39Å; L435-A437 VanDerWaalsContact C-N 3.32Å; L435-A437 PolarHBondContact O-N 3.18Å; L435-I462 HydrophobicContact CB-CG2 3.99Å; L435-I462 HydrophobicContact CD1-CG2 3.63Å; L435-I462 HydrophobicContact CG-CG2 4.45Å; L435-V466 HydrophobicContact CD1-CB 4.45Å; L435-V466 HydrophobicContact CD1-CG1 3.88Å; L435-V466 HydrophobicContact CD1-CG2 3.78Å; L435-L471 HydrophobicContact CB-CD2 4.41Å; L435-L471 HydrophobicContact CD1-CD2 3.9Å; L435-L471 HydrophobicContact CG-CD2 4.49Å
436	M	95.9	Very high	95.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	33.3	-179	-57.3	-174.3	63.2	0	0	114.2	L394 I398 L416 I420 H432 D434 S438 Q439 F440	L394-M436 HydrophobicContact CD1-SD 4.39Å; I398-M436 HydrophobicContact CD1-CE 4.21Å; I398-M436 HydrophobicContact CD1-SD 3.97Å; I398-M436 HydrophobicContact CG1-CE 3.72Å; I398-M436 HydrophobicContact CG1-SD 3.83Å; I398-M436 HydrophobicContact CG2-CE 4.47Å; L416-M436 HydrophobicContact CD1-SD 4.28Å; L416-M436 HydrophobicContact CD2-CE 3.81Å; L416-M436 HydrophobicContact CD2-SD 3.75Å; L416-M436 HydrophobicContact CG-SD 4.38Å; I420-M436 HydrophobicContact CD1-CB 4.38Å; I420-M436 HydrophobicContact CD1-CG 4.25Å; I420-M436 HydrophobicContact CD1-SD 4.02Å; H432-M436 HydrophobicContact CB-CG 3.95Å; D434-M436 PolarHBondContact O-N 3.07Å; D434-M436 WeakPolarHBondContact OD1-CA 3.49Å; D434-M436 PolarHBondContact OD1-N 3.17Å; M436-S438 VanDerWaalsContact C-N 3.26Å; M436-S438 PolarHBondContact O-N 2.92Å; M436-Q439 VanDerWaalsContact C-OE1 3.27Å; M436-Q439 VanDerWaalsContact CA-OE1 3.23Å; M436-Q439 HydrophobicContact CB-CB 4.36Å; M436-Q439 HydrophobicContact CE-CB 4.05Å; M436-Q439 HydrophobicContact CE-CG 3.82Å; M436-Q439 PolarHBondContact O-N 2.88Å; M436-Q439 VanDerWaalsContact O-N 3.11Å; M436-Q439 PolarHBondContact O-OE1 3.1Å; M436-F440 HydrophobicContact CB-CD2 4.21Å; M436-F440 HydrophobicContact CB-CE2 4.15Å; M436-F440 VanDerWaalsContact O-CD2 3.28Å; M436-F440 WeakPolarHBondContact O-CD2 3.43Å; M436-F440 PolarHBondContact O-N 3.31Å; M436-F440 VanDerWaalsContact O-N 3.07Å
437	A	96.8	Very high	94.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-52	-45.6	-178.1	0	0	0	0	0	112.6	D434 L435 Q439 F440 L441 L471 Y475	D434-A437 HydrophobicContact CB-CB 4.31Å; D434-A437 WeakPolarHBondContact O-CB 3.48Å; D434-A437 PolarHBondContact O-N 3.43Å; D434-A437 VanDerWaalsContact O-N 3.13Å; D434-A437 PolarHBondContact OD2-N 2.69Å; L435-A437 VanDerWaalsContact C-N 3.32Å; L435-A437 PolarHBondContact O-N 3.18Å; A437-Q439 VanDerWaalsContact C-N 3.32Å; A437-Q439 PolarHBondContact O-N 3.38Å; A437-F440 PolarHBondContact O-N 3.41Å; A437-L441 WeakPolarHBondContact O-CB 3.46Å; A437-L441 WeakPolarHBondContact O-CG 3.24Å; A437-L441 PolarHBondContact O-N 3.04Å; A437-L471 HydrophobicContact CB-CD1 3.63Å; A437-Y475 WeakPolarHBondContact CA-OH 3.3Å
438	S	93.5	Very high	94.5	Very high	71 Å²	71	35.7 Å²	35.7	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-59.9	-40.6	-179.1	-58.6	0	0	0	0	112.5	M436 L441 R442	M436-S438 VanDerWaalsContact C-N 3.26Å; M436-S438 PolarHBondContact O-N 2.92Å; S438-L441 PolarHBondContact O-N 3.17Å; S438-R442 PolarHBondContact O-N 3.18Å; S438-R442 VanDerWaalsContact O-N 3.1Å
439	Q	93.4	Very high	94.3	Very high	59 Å²	59	36.1 Å²	36.1	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-71.5	-42.5	-179.9	-65.9	78.4	1.7	0	0	111.2	F401 M436 A437 L441 R442 N443	F401-Q439 HydrophobicContact CD1-CB 4.26Å; F401-Q439 HydrophobicContact CE1-CB 3.7Å; F401-Q439 VanDerWaalsContact CE1-O 3.27Å; F401-Q439 WeakPolarHBondContact CE1-O 3.37Å; F401-Q439 HydrophobicContact CZ-CB 4.19Å; F401-Q439 WeakPolarHBondContact CZ-O 3.46Å; M436-Q439 VanDerWaalsContact C-OE1 3.27Å; M436-Q439 VanDerWaalsContact CA-OE1 3.23Å; M436-Q439 HydrophobicContact CB-CB 4.36Å; M436-Q439 HydrophobicContact CE-CB 4.05Å; M436-Q439 HydrophobicContact CE-CG 3.82Å; M436-Q439 PolarHBondContact O-N 2.88Å; M436-Q439 VanDerWaalsContact O-N 3.11Å; M436-Q439 PolarHBondContact O-OE1 3.1Å; A437-Q439 VanDerWaalsContact C-N 3.32Å; A437-Q439 PolarHBondContact O-N 3.38Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; Q439-L441 PolarHBondContact O-N 3.3Å; Q439-R442 WeakPolarHBondContact O-CB 3.23Å; Q439-R442 PolarHBondContact O-N 2.73Å; Q439-N443 PolarHBondContact O-N 3.19Å
440	F	97	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-37	174.5	-76.9	-71.5	0	0	0	112.6	F401 L416 I420 M436 A437 R442 N443 L444 S458 I459 I462	F401-F440 AromaticContact CE2-CD1 3.99Å; F401-F440 HydrophobicContact CE2-CD1 3.99Å; F401-F440 AromaticContact CE2-CE1 3.77Å; F401-F440 HydrophobicContact CE2-CE1 3.77Å; F401-F440 HydrophobicContact CE2-CZ 4.26Å; F401-F440 HydrophobicContact CZ-CD1 4.04Å; F401-F440 HydrophobicContact CZ-CE1 4.29Å; F401-F440 HydrophobicContact CZ-CG 4.42Å; L416-F440 HydrophobicContact CB-CZ 4.28Å; L416-F440 HydrophobicContact CD2-CE2 4.5Å; L416-F440 HydrophobicContact CD2-CZ 4.12Å; L416-F440 HydrophobicContact CG-CZ 4.03Å; I420-F440 HydrophobicContact CD1-CE2 3.8Å; I420-F440 HydrophobicContact CD1-CZ 4.18Å; M436-F440 HydrophobicContact CB-CD2 4.21Å; M436-F440 HydrophobicContact CB-CE2 4.15Å; M436-F440 VanDerWaalsContact O-CD2 3.28Å; M436-F440 WeakPolarHBondContact O-CD2 3.43Å; M436-F440 PolarHBondContact O-N 3.31Å; M436-F440 VanDerWaalsContact O-N 3.07Å; A437-F440 PolarHBondContact O-N 3.41Å; F440-R442 VanDerWaalsContact C-N 3.32Å; F440-R442 PolarHBondContact O-N 3.18Å; F440-N443 PolarHBondContact O-N 3.3Å; F440-L444 WeakPolarHBondContact O-CB 3.42Å; F440-L444 PolarHBondContact O-N 3.42Å; F440-S458 VanDerWaalsContact CE1-CB 3.46Å; F440-I459 HydrophobicContact CB-CD1 3.98Å; F440-I459 HydrophobicContact CB-CG1 3.64Å; F440-I459 HydrophobicContact CD1-CG1 4.45Å; F440-I459 HydrophobicContact CG-CG1 4.16Å; F440-I462 HydrophobicContact CD2-CD1 3.85Å; F440-I462 HydrophobicContact CE1-CD1 4.34Å; F440-I462 HydrophobicContact CE2-CD1 3.29Å; F440-I462 HydrophobicContact CZ-CD1 3.58Å
441	L	96.1	Very high	94	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-37.1	174.1	-74.4	-179.7	0	0	0	112.3	A437 S438 Q439 L444 S445 H474 Y475 H478	A437-L441 WeakPolarHBondContact O-CB 3.46Å; A437-L441 WeakPolarHBondContact O-CG 3.24Å; A437-L441 PolarHBondContact O-N 3.04Å; S438-L441 PolarHBondContact O-N 3.17Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; Q439-L441 PolarHBondContact O-N 3.3Å; L441-L444 HydrophobicContact CD2-CD2 4.07Å; L441-L444 WeakPolarHBondContact O-CB 3.13Å; L441-L444 PolarHBondContact O-N 2.87Å; L441-S445 PolarHBondContact O-N 2.81Å; L441-S445 PolarHBondContact O-OG 3.31Å; L441-H474 WeakPolarHBondContact CD1-NE2 3.47Å; L441-Y475 HydrophobicContact CD2-CD1 3.46Å; L441-Y475 VanDerWaalsContact CD2-CD1 3.46Å; L441-Y475 HydrophobicContact CD2-CE1 3.66Å; L441-Y475 HydrophobicContact CG-CD1 4.07Å; L441-Y475 HydrophobicContact CG-CE1 3.83Å; L441-H478 HydrophobicContact CD1-CB 4.19Å; L441-H478 HydrophobicContact CD2-CB 3.83Å; L441-H478 VanDerWaalsContact CD2-CG 3.45Å
442	R	93.4	Very high	94	Very high	72 Å²	72	28.1 Å²	28.1	27%	0.272	16%	0.155	S	C	.	.	H	α-helix	trans	-59.8	-47.6	172.6	-174.9	-177.8	67	-161.8	5.9	111.6	S438 Q439 F440 S445 D446 D550	S438-R442 PolarHBondContact O-N 3.18Å; S438-R442 VanDerWaalsContact O-N 3.1Å; Q439-R442 WeakPolarHBondContact O-CB 3.23Å; Q439-R442 PolarHBondContact O-N 2.73Å; F440-R442 VanDerWaalsContact C-N 3.32Å; F440-R442 PolarHBondContact O-N 3.18Å; R442-S445 CarbonylContact O-C 3.35Å; R442-S445 PolarHBondContact O-N 3.16Å; R442-S445 VanDerWaalsContact O-N 3.15Å; R442-D446 PolarHBondContact O-N 3.43Å; R442-D550 IonicContact CZ-OD2 3.62Å; R442-D550 IonicContact NH1-OD1 3.1Å; R442-D550 PolarHBondContact NH1-OD1 2.95Å; R442-D550 IonicContact NH1-OD2 3.01Å; R442-D550 PolarHBondContact NH1-OD2 3.39Å
443	N	93.8	Very high	94.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-71.6	-29.6	178.1	-76.8	23.3	0	0	0	112.7	F401 Q439 F440 S445 D446 V451 R452 A455	F401-N443 HydrophobicContact CE1-CB 4.29Å; F401-N443 VanDerWaalsContact CE1-ND2 3.27Å; F401-N443 WeakPolarHBondContact CE1-ND2 3.25Å; F401-N443 WeakPolarHBondContact CE1-OD1 3.43Å; F401-N443 HydrophobicContact CZ-CB 3.99Å; F401-N443 VanDerWaalsContact CZ-CG 3.45Å; F401-N443 WeakPolarHBondContact CZ-ND2 3.31Å; Q439-N443 PolarHBondContact O-N 3.19Å; F440-N443 PolarHBondContact O-N 3.3Å; N443-S445 PolarHBondContact O-N 3.09Å; N443-D446 WeakPolarHBondContact O-CB 3.46Å; N443-D446 PolarHBondContact O-N 2.9Å; N443-D446 VanDerWaalsContact O-N 3.16Å; N443-V451 HydrophobicContact CB-CG1 3.78Å; N443-R452 WeakPolarHBondContact O-CA 3.09Å; N443-A455 HydrophobicContact CB-CB 3.89Å
444	L	96.4	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-30.2	171	-168.7	68.9	0	0	0	111.1	F440 L441 R452 A455 A456 I459 G565 L569	F440-L444 WeakPolarHBondContact O-CB 3.42Å; F440-L444 PolarHBondContact O-N 3.42Å; L441-L444 HydrophobicContact CD2-CD2 4.07Å; L441-L444 WeakPolarHBondContact O-CB 3.13Å; L441-L444 PolarHBondContact O-N 2.87Å; L444-R452 VanDerWaalsContact O-CD 3.26Å; L444-R452 WeakPolarHBondContact O-CD 3.41Å; L444-R452 VanDerWaalsContact O-CG 3.24Å; L444-R452 WeakPolarHBondContact O-CG 3.09Å; L444-A455 HydrophobicContact CB-CB 4.08Å; L444-A455 HydrophobicContact CD1-CB 4.22Å; L444-A456 HydrophobicContact CD1-CB 3.76Å; L444-I459 HydrophobicContact CB-CD1 4.27Å; L444-I459 HydrophobicContact CD1-CD1 4.27Å; L444-I459 HydrophobicContact CD2-CD1 3.98Å; L444-I459 HydrophobicContact CG-CD1 4.42Å; L444-G565 VanDerWaalsContact CD1-O 3.29Å; L444-G565 WeakPolarHBondContact CD1-O 3.45Å; L444-G565 VanDerWaalsContact O-CA 3.26Å; L444-G565 WeakPolarHBondContact O-CA 3.28Å; L444-L569 HydrophobicContact CD1-CB 4.3Å; L444-L569 HydrophobicContact CD2-CB 4.23Å; L444-L569 HydrophobicContact CD2-CD2 3.81Å
445	S	94.8	Very high	94.3	Very high	12 Å²	12	19.2 Å²	19.2	8%	0.084	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	16.1	176	-67.9	0	0	0	0	113.4	L441 R442 N443 H478 S557	L441-S445 PolarHBondContact O-N 2.81Å; L441-S445 PolarHBondContact O-OG 3.31Å; R442-S445 CarbonylContact O-C 3.35Å; R442-S445 PolarHBondContact O-N 3.16Å; R442-S445 VanDerWaalsContact O-N 3.15Å; N443-S445 PolarHBondContact O-N 3.09Å; S445-H478 PolarHBondContact OG-NE2 3.05Å; S445-S557 WeakPolarHBondContact O-CB 3.48Å; S445-S557 PolarHBondContact O-OG 3.07Å
446	D	91.3	Very high	94.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.11	C	C	.	.			trans	-67.8	147	179.7	-165.4	-64.1	0	0	0	111.6	R409 R442 N443 I448 V451 R452 Q554	R409-D446 IonicContact CZ-OD2 2.76Å; R409-D446 IonicContact NE-OD2 2.62Å; R409-D446 PolarHBondContact NE-OD2 2.71Å; R409-D446 IonicContact NH2-OD1 2.72Å; R409-D446 IonicContact NH2-OD2 3.01Å; R409-D446 PolarHBondContact NH2-OD2 2.99Å; R442-D446 PolarHBondContact O-N 3.43Å; N443-D446 WeakPolarHBondContact O-CB 3.46Å; N443-D446 PolarHBondContact O-N 2.9Å; N443-D446 VanDerWaalsContact O-N 3.16Å; D446-I448 PolarHBondContact O-N 3Å; D446-I448 WeakPolarHBondContact OD1-CB 3.49Å; D446-I448 WeakPolarHBondContact OD1-CG1 3.49Å; D446-I448 PolarHBondContact OD1-N 3.09Å; D446-V451 HydrophobicContact CB-CB 3.92Å; D446-V451 HydrophobicContact CB-CG1 3.62Å; D446-R452 HydrophobicContact CB-CG 4.33Å; D446-R452 WeakPolarHBondContact O-CD 3.33Å; D446-R452 WeakPolarHBondContact O-CG 3.5Å; D446-R452 PolarHBondContact O-NH1 3.46Å; D446-Q554 PolarHBondContact OD1-NE2 3.17Å; D446-Q554 PolarHBondContact OD2-NE2 3.21Å
447	S	88.9	Confident	94.4	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.028	13%	0.13	C	C	.	.	S	Bend	trans	-59.1	-24.9	172.8	50.4	0	0	0	0	114	R452 S557	S447-R452 PolarHBondContact O-NH1 3Å; S447-S557 PolarHBondContact N-OG 3.4Å
448	I	89.4	Confident	94.4	Very high	18 Å²	18	24.1 Å²	24.1	9%	0.092	13%	0.132	C	C	.	.	S	Bend	trans	-90.4	121.7	-176.8	-55.9	-58.9	0	0	0	111.3	W406 D446 S450 V451 R452 D526	W406-I448 HydrophobicContact CB-CG1 3.85Å; W406-I448 HydrophobicContact CD2-CG1 4.42Å; W406-I448 HydrophobicContact CD2-CG2 3.93Å; W406-I448 HydrophobicContact CE3-CG2 3.69Å; W406-I448 HydrophobicContact CG-CD1 4.32Å; W406-I448 HydrophobicContact CG-CG1 3.95Å; W406-I448 HydrophobicContact CG-CG2 4.32Å; W406-I448 HydrophobicContact CZ3-CG2 4.26Å; D446-I448 PolarHBondContact O-N 3Å; D446-I448 WeakPolarHBondContact OD1-CB 3.49Å; D446-I448 WeakPolarHBondContact OD1-CG1 3.49Å; D446-I448 PolarHBondContact OD1-N 3.09Å; I448-S450 VanDerWaalsContact C-N 3.34Å; I448-S450 PolarHBondContact O-N 3.35Å; I448-V451 HydrophobicContact CB-CB 4.25Å; I448-V451 HydrophobicContact CB-CG2 3.85Å; I448-V451 HydrophobicContact CG2-CG2 3.96Å; I448-V451 PolarHBondContact O-N 3.01Å; I448-R452 PolarHBondContact O-N 3.5Å; I448-D526 HydrophobicContact CD1-CB 4.49Å; I448-D526 VanDerWaalsContact CD1-O 3.31Å; I448-D526 WeakPolarHBondContact CD1-O 3.24Å
449	P	91.6	Very high	94.7	Very high	67 Å²	67	20.8 Å²	20.8	44%	0.435	11%	0.108	S	C	.	.	H	α-helix	trans	-58.3	-37.6	-177	-25.4	32.9	0	0	0	115.2	R452 D453	P449-R452 PolarHBondContact O-N 3.28Å; P449-D453 PolarHBondContact O-N 3.27Å
450	S	92.1	Very high	94.9	Very high	41 Å²	41	18 Å²	18	29%	0.287	10%	0.095	S	C	.	.	H	α-helix	trans	-68.9	-38.7	-179	74.1	0	0	0	0	112	W406 D410 I448 R452 D453 G454	W406-S450 WeakPolarHBondContact CZ3-OG 3.21Å; D410-S450 WeakPolarHBondContact OD2-CB 3.42Å; D410-S450 PolarHBondContact OD2-OG 3.47Å; I448-S450 VanDerWaalsContact C-N 3.34Å; I448-S450 PolarHBondContact O-N 3.35Å; S450-R452 VanDerWaalsContact C-N 3.33Å; S450-R452 PolarHBondContact O-N 2.97Å; S450-D453 PolarHBondContact O-N 3.09Å; S450-G454 PolarHBondContact O-N 3.49Å
451	V	93.3	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-42.2	174.3	-179.8	0	0	0	0	110.6	W406 D410 N443 D446 I448 G454 A455	W406-V451 HydrophobicContact CB-CG2 4.41Å; D410-V451 HydrophobicContact CB-CG2 3.89Å; N443-V451 HydrophobicContact CB-CG1 3.78Å; D446-V451 HydrophobicContact CB-CB 3.92Å; D446-V451 HydrophobicContact CB-CG1 3.62Å; I448-V451 HydrophobicContact CB-CB 4.25Å; I448-V451 HydrophobicContact CB-CG2 3.85Å; I448-V451 HydrophobicContact CG2-CG2 3.96Å; I448-V451 PolarHBondContact O-N 3.01Å; V451-G454 PolarHBondContact O-N 3.36Å; V451-A455 WeakPolarHBondContact O-CB 3.11Å; V451-A455 PolarHBondContact O-N 2.79Å
452	R	96.2	Very high	94.9	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-43.4	175	-61.9	-163.8	-66.3	-89.1	7.2	112.3	N443 L444 D446 S447 I448 P449 S450 A455 A456 E561 D564	N443-R452 WeakPolarHBondContact O-CA 3.09Å; L444-R452 VanDerWaalsContact O-CD 3.26Å; L444-R452 WeakPolarHBondContact O-CD 3.41Å; L444-R452 VanDerWaalsContact O-CG 3.24Å; L444-R452 WeakPolarHBondContact O-CG 3.09Å; D446-R452 HydrophobicContact CB-CG 4.33Å; D446-R452 WeakPolarHBondContact O-CD 3.33Å; D446-R452 WeakPolarHBondContact O-CG 3.5Å; D446-R452 PolarHBondContact O-NH1 3.46Å; S447-R452 PolarHBondContact O-NH1 3Å; I448-R452 PolarHBondContact O-N 3.5Å; P449-R452 PolarHBondContact O-N 3.28Å; S450-R452 VanDerWaalsContact C-N 3.33Å; S450-R452 PolarHBondContact O-N 2.97Å; R452-A455 PolarHBondContact O-N 2.85Å; R452-A456 WeakPolarHBondContact O-CB 3.45Å; R452-A456 PolarHBondContact O-N 3.31Å; R452-E561 WeakPolarHBondContact CD-O 3.22Å; R452-E561 PolarHBondContact NE-O 2.98Å; R452-D564 IonicContact CZ-OD2 2.76Å; R452-D564 VanDerWaalsContact CZ-OD2 3.26Å; R452-D564 IonicContact NE-OD2 2.84Å; R452-D564 PolarHBondContact NE-OD2 3.19Å; R452-D564 IonicContact NH2-OD2 3.94Å; R452-D564 PolarHBondContact NH2-OD2 2.92Å
453	D	95.6	Very high	95.1	Very high	39 Å²	39	15.7 Å²	15.7	21%	0.209	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-43.5	177.6	-173	60	0	0	0	112.3	P449 S450 A455 A456 K457 R568	P449-D453 PolarHBondContact O-N 3.27Å; S450-D453 PolarHBondContact O-N 3.09Å; D453-A455 VanDerWaalsContact C-N 3.34Å; D453-A455 PolarHBondContact O-N 3.32Å; D453-A456 PolarHBondContact O-N 3.49Å; D453-K457 WeakPolarHBondContact O-CG 3.34Å; D453-K457 PolarHBondContact O-N 2.97Å; D453-K457 IonicContact OD1-NZ 3.51Å; D453-K457 WeakPolarHBondContact OD2-CE 3.47Å; D453-K457 IonicContact OD2-NZ 3.46Å; D453-K457 PolarHBondContact OD2-NZ 3.09Å; D453-R568 IonicContact OD1-NH1 2.94Å
454	G	96	Very high	95.2	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-41.5	173.2	0	0	0	0	0	112.4	S450 V451 S458	S450-G454 PolarHBondContact O-N 3.49Å; V451-G454 PolarHBondContact O-N 3.36Å; G454-S458 VanDerWaalsContact O-CB 3.27Å; G454-S458 WeakPolarHBondContact O-CB 3.08Å; G454-S458 PolarHBondContact O-N 2.72Å; G454-S458 PolarHBondContact O-OG 3.24Å
455	A	97.7	Very high	95.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-47.7	175.2	0	0	0	0	0	112.2	C413 N443 L444 V451 R452 D453 K457 S458 I459	C413-A455 WeakPolarHBondContact SG-CA 3.47Å; N443-A455 HydrophobicContact CB-CB 3.89Å; L444-A455 HydrophobicContact CB-CB 4.08Å; L444-A455 HydrophobicContact CD1-CB 4.22Å; V451-A455 WeakPolarHBondContact O-CB 3.11Å; V451-A455 PolarHBondContact O-N 2.79Å; R452-A455 PolarHBondContact O-N 2.85Å; D453-A455 VanDerWaalsContact C-N 3.34Å; D453-A455 PolarHBondContact O-N 3.32Å; A455-K457 VanDerWaalsContact C-N 3.33Å; A455-K457 PolarHBondContact O-N 3.34Å; A455-S458 PolarHBondContact O-N 2.91Å; A455-I459 WeakPolarHBondContact O-CB 3.44Å; A455-I459 VanDerWaalsContact O-CG1 3.23Å; A455-I459 WeakPolarHBondContact O-CG1 3.44Å; A455-I459 PolarHBondContact O-N 2.91Å
456	A	98.3	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-45.3	178.2	0	0	0	0	0	111.9	L444 R452 D453 A460 R568 L569 Q572	L444-A456 HydrophobicContact CD1-CB 3.76Å; R452-A456 WeakPolarHBondContact O-CB 3.45Å; R452-A456 PolarHBondContact O-N 3.31Å; D453-A456 PolarHBondContact O-N 3.49Å; A456-A460 WeakPolarHBondContact O-CB 3.38Å; A456-A460 PolarHBondContact O-N 3.06Å; A456-A460 VanDerWaalsContact O-N 3.14Å; A456-R568 HydrophobicContact CB-CB 3.81Å; A456-L569 HydrophobicContact CB-CB 4.35Å; A456-Q572 HydrophobicContact CB-CG 4Å
457	K	97.1	Very high	95.2	Very high	100 Å²	100	31.3 Å²	31.3	44%	0.435	17%	0.172	S	C	.	.	H	α-helix	trans	-63	-43.7	176.4	-72.9	167.7	178.1	168	0	111.9	D453 A455 A460 A461 Q572	D453-K457 WeakPolarHBondContact O-CG 3.34Å; D453-K457 PolarHBondContact O-N 2.97Å; D453-K457 IonicContact OD1-NZ 3.51Å; D453-K457 WeakPolarHBondContact OD2-CE 3.47Å; D453-K457 IonicContact OD2-NZ 3.46Å; D453-K457 PolarHBondContact OD2-NZ 3.09Å; A455-K457 VanDerWaalsContact C-N 3.33Å; A455-K457 PolarHBondContact O-N 3.34Å; K457-A460 PolarHBondContact O-N 2.86Å; K457-A461 WeakPolarHBondContact O-CB 3.34Å; K457-A461 PolarHBondContact O-N 3.01Å; K457-Q572 HydrophobicContact CG-CG 4.31Å
458	S	97.9	Very high	95.5	Very high	6 Å²	6	33 Å²	33	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-46	-179.5	-62.9	0	0	0	0	112	C413 F440 G454 A455 A460 A461 I462	C413-S458 PolarHBondContact O-OG 2.89Å; C413-S458 VanDerWaalsContact O-OG 3.13Å; F440-S458 VanDerWaalsContact CE1-CB 3.46Å; G454-S458 VanDerWaalsContact O-CB 3.27Å; G454-S458 WeakPolarHBondContact O-CB 3.08Å; G454-S458 PolarHBondContact O-N 2.72Å; G454-S458 PolarHBondContact O-OG 3.24Å; A455-S458 PolarHBondContact O-N 2.91Å; S458-A460 VanDerWaalsContact C-N 3.35Å; S458-A460 PolarHBondContact O-N 2.9Å; S458-A461 PolarHBondContact O-N 3.35Å; S458-I462 VanDerWaalsContact O-CG1 3.29Å; S458-I462 WeakPolarHBondContact O-CG1 3.19Å; S458-I462 PolarHBondContact O-N 3.24Å
459	I	98.3	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-49.5	175.7	-69.5	164.3	0	0	0	110.2	F440 L444 A455 A461 I462 L463 Y475 L569	F440-I459 HydrophobicContact CB-CD1 3.98Å; F440-I459 HydrophobicContact CB-CG1 3.64Å; F440-I459 HydrophobicContact CD1-CG1 4.45Å; F440-I459 HydrophobicContact CG-CG1 4.16Å; L444-I459 HydrophobicContact CB-CD1 4.27Å; L444-I459 HydrophobicContact CD1-CD1 4.27Å; L444-I459 HydrophobicContact CD2-CD1 3.98Å; L444-I459 HydrophobicContact CG-CD1 4.42Å; A455-I459 WeakPolarHBondContact O-CB 3.44Å; A455-I459 VanDerWaalsContact O-CG1 3.23Å; A455-I459 WeakPolarHBondContact O-CG1 3.44Å; A455-I459 PolarHBondContact O-N 2.91Å; I459-A461 VanDerWaalsContact C-N 3.31Å; I459-A461 PolarHBondContact O-N 3.04Å; I459-I462 PolarHBondContact O-N 2.92Å; I459-L463 HydrophobicContact CG2-CD1 3.84Å; I459-L463 HydrophobicContact CG2-CG 4.29Å; I459-L463 WeakPolarHBondContact O-CB 3.32Å; I459-L463 WeakPolarHBondContact O-CG 3.36Å; I459-L463 PolarHBondContact O-N 2.96Å; I459-Y475 HydrophobicContact CB-CE1 4.27Å; I459-Y475 HydrophobicContact CD1-CD1 4.05Å; I459-Y475 HydrophobicContact CD1-CE1 3.61Å; I459-Y475 HydrophobicContact CG1-CD1 4.4Å; I459-Y475 HydrophobicContact CG1-CE1 3.68Å; I459-Y475 HydrophobicContact CG2-CD1 3.68Å; I459-Y475 HydrophobicContact CG2-CD2 3.8Å; I459-Y475 HydrophobicContact CG2-CE1 3.56Å; I459-Y475 HydrophobicContact CG2-CE2 3.64Å; I459-Y475 HydrophobicContact CG2-CG 3.82Å; I459-L569 HydrophobicContact CB-CD1 3.99Å; I459-L569 HydrophobicContact CD1-CD2 4.29Å; I459-L569 HydrophobicContact CG2-CD1 3.65Å; I459-L569 HydrophobicContact CG2-CD2 4.09Å
460	A	97	Very high	96	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-36	-178.3	0	0	0	0	0	112.5	A456 K457 S458 K464 Q572 M576	A456-A460 WeakPolarHBondContact O-CB 3.38Å; A456-A460 PolarHBondContact O-N 3.06Å; A456-A460 VanDerWaalsContact O-N 3.14Å; K457-A460 PolarHBondContact O-N 2.86Å; S458-A460 VanDerWaalsContact C-N 3.35Å; S458-A460 PolarHBondContact O-N 2.9Å; A460-K464 PolarHBondContact O-N 3.23Å; A460-K464 VanDerWaalsContact O-N 3.14Å; A460-Q572 HydrophobicContact CB-CB 3.57Å; A460-M576 HydrophobicContact CB-CG 4.37Å; A460-M576 HydrophobicContact CB-SD 3.38Å; A460-M576 WeakPolarHBondContact CB-SD 3.36Å; A460-M576 WeakPolarHBondContact O-CE 3.28Å
461	A	96.7	Very high	96.2	Very high	29 Å²	29	38.8 Å²	38.8	24%	0.24	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-44.9	172.8	0	0	0	0	0	112.4	S421 K457 S458 I459 K464 S465	S421-A461 WeakPolarHBondContact CB-O 3.38Å; K457-A461 WeakPolarHBondContact O-CB 3.34Å; K457-A461 PolarHBondContact O-N 3.01Å; S458-A461 PolarHBondContact O-N 3.35Å; I459-A461 VanDerWaalsContact C-N 3.31Å; I459-A461 PolarHBondContact O-N 3.04Å; A461-K464 PolarHBondContact O-N 3.04Å; A461-S465 PolarHBondContact O-N 2.87Å
462	I	97.9	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-50.1	176.1	-68	166.4	0	0	0	110.1	I420 L435 F440 S458 I459 K464 S465 V466 L471	I420-I462 HydrophobicContact CB-CD1 4.1Å; I420-I462 HydrophobicContact CB-CG1 4.09Å; I420-I462 HydrophobicContact CD1-CD1 4.43Å; I420-I462 HydrophobicContact CG2-CD1 3.93Å; I420-I462 HydrophobicContact CG2-CG1 3.83Å; I420-I462 HydrophobicContact CG2-CG2 4.11Å; L435-I462 HydrophobicContact CB-CG2 3.99Å; L435-I462 HydrophobicContact CD1-CG2 3.63Å; L435-I462 HydrophobicContact CG-CG2 4.45Å; F440-I462 HydrophobicContact CD2-CD1 3.85Å; F440-I462 HydrophobicContact CE1-CD1 4.34Å; F440-I462 HydrophobicContact CE2-CD1 3.29Å; F440-I462 HydrophobicContact CZ-CD1 3.58Å; S458-I462 VanDerWaalsContact O-CG1 3.29Å; S458-I462 WeakPolarHBondContact O-CG1 3.19Å; S458-I462 PolarHBondContact O-N 3.24Å; I459-I462 PolarHBondContact O-N 2.92Å; I462-K464 PolarHBondContact O-N 3.18Å; I462-K464 VanDerWaalsContact O-N 3.08Å; I462-S465 WeakPolarHBondContact O-CB 3.5Å; I462-S465 PolarHBondContact O-N 3.17Å; I462-S465 PolarHBondContact O-OG 3.13Å; I462-V466 PolarHBondContact O-N 3.26Å; I462-L471 HydrophobicContact CG2-CD2 4.48Å
463	L	97.1	Very high	96.4	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-58.2	-24.9	177.5	-72.6	175	0	0	0	113.3	I459 L471 F472 Y475 F577	I459-L463 HydrophobicContact CG2-CD1 3.84Å; I459-L463 HydrophobicContact CG2-CG 4.29Å; I459-L463 WeakPolarHBondContact O-CB 3.32Å; I459-L463 WeakPolarHBondContact O-CG 3.36Å; I459-L463 PolarHBondContact O-N 2.96Å; L463-L471 HydrophobicContact CD2-CB 4.48Å; L463-L471 HydrophobicContact CD2-CD2 4.08Å; L463-L471 HydrophobicContact CD2-CG 3.89Å; L463-F472 HydrophobicContact CD1-CD2 3.89Å; L463-F472 HydrophobicContact CD1-CE2 4.23Å; L463-F472 HydrophobicContact CD2-CB 4.18Å; L463-F472 HydrophobicContact CD2-CD2 4.11Å; L463-F472 HydrophobicContact CG-CD2 4.42Å; L463-Y475 HydrophobicContact CD1-CD2 3.84Å; L463-Y475 HydrophobicContact CD1-CE2 4.33Å; L463-Y475 HydrophobicContact CD2-CD2 3.9Å; L463-Y475 HydrophobicContact CD2-CE2 4.01Å; L463-Y475 HydrophobicContact CG-CD2 4.13Å; L463-Y475 HydrophobicContact CG-CE2 4.19Å; L463-F577 HydrophobicContact CB-CE2 3.98Å; L463-F577 HydrophobicContact CB-CZ 3.97Å
464	K	95.5	Very high	96.4	Very high	142 Å²	142	46.3 Å²	46.3	62%	0.617	24%	0.235	S	C	*	.	H	α-helix	trans	-82.9	-25	177.7	-178.5	177	176.3	-177	0	112.2	A460 A461 I462 V466 M576 F577	A460-K464 PolarHBondContact O-N 3.23Å; A460-K464 VanDerWaalsContact O-N 3.14Å; A461-K464 PolarHBondContact O-N 3.04Å; I462-K464 PolarHBondContact O-N 3.18Å; I462-K464 VanDerWaalsContact O-N 3.08Å; K464-V466 VanDerWaalsContact C-N 3.35Å; K464-M576 HydrophobicContact CB-CE 3.62Å; K464-M576 HydrophobicContact CD-CE 3.21Å; K464-M576 HydrophobicContact CG-CE 4.04Å; K464-F577 HydrophobicContact CB-CE1 4.21Å; K464-F577 HydrophobicContact CB-CZ 3.7Å; K464-F577 HydrophobicContact CG-CZ 4.47Å
465	S	95.6	Very high	96.5	Very high	42 Å²	42	46.1 Å²	46.1	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-78.4	-18.9	178.6	73	0	0	0	0	113.6	S421 A461 I462	S421-S465 WeakPolarHBondContact O-CB 3.47Å; A461-S465 PolarHBondContact O-N 2.87Å; I462-S465 WeakPolarHBondContact O-CB 3.5Å; I462-S465 PolarHBondContact O-N 3.17Å; I462-S465 PolarHBondContact O-OG 3.13Å
466	V	95.6	Very high	96.5	Very high	21 Å²	21	47.3 Å²	47.3	13%	0.127	24%	0.24	C	C	.	.			trans	-132.1	141.1	-177	-61.3	0	0	0	0	111.8	P424 L435 I462 K464 D468 L471	P424-V466 HydrophobicContact CB-CG1 3.45Å; P424-V466 VanDerWaalsContact CB-CG1 3.45Å; P424-V466 HydrophobicContact CG-CG1 3.88Å; L435-V466 HydrophobicContact CD1-CB 4.45Å; L435-V466 HydrophobicContact CD1-CG1 3.88Å; L435-V466 HydrophobicContact CD1-CG2 3.78Å; I462-V466 PolarHBondContact O-N 3.26Å; K464-V466 VanDerWaalsContact C-N 3.35Å; V466-D468 VanDerWaalsContact C-N 3.33Å; V466-D468 HydrophobicContact CB-CB 4.42Å; V466-D468 HydrophobicContact CG2-CB 3.91Å; V466-D468 PolarHBondContact O-N 3.23Å; V466-L471 HydrophobicContact CG2-CD2 4.28Å
467	D	92.6	Very high	96.4	Very high	137 Å²	137	51.5 Å²	51.5	73%	0.733	26%	0.262	S	S	*	.			trans	-90.9	71.5	167.9	-170.6	24.7	0	0	0	110	Q469 R580	D467-Q469 PolarHBondContact OD1-NE2 2.74Å; D467-R580 IonicContact OD1-NH2 2.76Å
468	D	94.9	Very high	96.4	Very high	39 Å²	39	47.8 Å²	47.8	21%	0.209	25%	0.246	C	C	.	.			trans	-113.4	96.2	-179.6	-168.1	-28	0	0	0	110.2	R428 V466 N470 L471 F472	R428-D468 IonicContact NH2-OD2 3.99Å; R428-D468 PolarHBondContact NH2-OD2 2.79Å; V466-D468 VanDerWaalsContact C-N 3.33Å; V466-D468 HydrophobicContact CB-CB 4.42Å; V466-D468 HydrophobicContact CG2-CB 3.91Å; V466-D468 PolarHBondContact O-N 3.23Å; D468-N470 VanDerWaalsContact C-N 3.31Å; D468-N470 PolarHBondContact O-N 3.35Å; D468-N470 PolarHBondContact OD1-N 3.29Å; D468-L471 HydrophobicContact CB-CB 3.83Å; D468-L471 HydrophobicContact CB-CD2 4.47Å; D468-L471 VanDerWaalsContact CG-CB 3.46Å; D468-L471 PolarHBondContact O-N 3.31Å; D468-L471 PolarHBondContact OD1-N 3.22Å; D468-F472 PolarHBondContact O-N 3.4Å
469	Q	94.9	Very high	96.4	Very high	100 Å²	100	47.5 Å²	47.5	47%	0.467	24%	0.244	S	C	.	.	H	α-helix	trans	-68.3	-31.2	-177.1	-61.7	-62.4	-35.7	0	0	112.5	D467 F472 Q473	D467-Q469 PolarHBondContact OD1-NE2 2.74Å; Q469-F472 PolarHBondContact O-N 3.36Å; Q469-Q473 WeakPolarHBondContact O-CB 3.48Å; Q469-Q473 PolarHBondContact O-N 3.39Å
470	N	96	Very high	96.4	Very high	138 Å²	138	49.7 Å²	49.7	74%	0.738	26%	0.258	S	S	*	.	H	α-helix	trans	-69	-44.9	178	-67.8	-31	0	0	0	110.1	D468 Q473 H474	D468-N470 VanDerWaalsContact C-N 3.31Å; D468-N470 PolarHBondContact O-N 3.35Å; D468-N470 PolarHBondContact OD1-N 3.29Å; N470-Q473 PolarHBondContact O-N 3.34Å; N470-H474 WeakPolarHBondContact O-CB 3.49Å; N470-H474 PolarHBondContact O-N 2.93Å
471	L	96.4	Very high	96.4	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-44.5	174.4	-178.3	61.7	0	0	0	111.3	L435 A437 I462 L463 V466 D468 Q473 H474 Y475	L435-L471 HydrophobicContact CB-CD2 4.41Å; L435-L471 HydrophobicContact CD1-CD2 3.9Å; L435-L471 HydrophobicContact CG-CD2 4.49Å; A437-L471 HydrophobicContact CB-CD1 3.63Å; I462-L471 HydrophobicContact CG2-CD2 4.48Å; L463-L471 HydrophobicContact CD2-CB 4.48Å; L463-L471 HydrophobicContact CD2-CD2 4.08Å; L463-L471 HydrophobicContact CD2-CG 3.89Å; V466-L471 HydrophobicContact CG2-CD2 4.28Å; D468-L471 HydrophobicContact CB-CB 3.83Å; D468-L471 HydrophobicContact CB-CD2 4.47Å; D468-L471 VanDerWaalsContact CG-CB 3.46Å; D468-L471 PolarHBondContact O-N 3.31Å; D468-L471 PolarHBondContact OD1-N 3.22Å; L471-Q473 PolarHBondContact O-N 3.1Å; L471-H474 WeakPolarHBondContact O-CB 3.01Å; L471-H474 PolarHBondContact O-N 3.19Å; L471-Y475 HydrophobicContact CD1-CD2 4.23Å; L471-Y475 HydrophobicContact CD1-CE2 3.53Å; L471-Y475 HydrophobicContact CD2-CE2 4.43Å; L471-Y475 HydrophobicContact CG-CD2 4.25Å; L471-Y475 HydrophobicContact CG-CE2 3.74Å; L471-Y475 WeakPolarHBondContact O-CD2 3.33Å; L471-Y475 PolarHBondContact O-N 2.94Å
472	F	96.4	Very high	96.4	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-50.1	176	-166.4	-84.8	0	0	0	111.2	L463 D468 Q469 H474 Y475 I476 I573 F577 R580	L463-F472 HydrophobicContact CD1-CD2 3.89Å; L463-F472 HydrophobicContact CD1-CE2 4.23Å; L463-F472 HydrophobicContact CD2-CB 4.18Å; L463-F472 HydrophobicContact CD2-CD2 4.11Å; L463-F472 HydrophobicContact CG-CD2 4.42Å; D468-F472 PolarHBondContact O-N 3.4Å; Q469-F472 PolarHBondContact O-N 3.36Å; F472-H474 VanDerWaalsContact C-N 3.28Å; F472-H474 PolarHBondContact O-N 2.76Å; F472-Y475 PolarHBondContact O-N 3.4Å; F472-I476 HydrophobicContact CD1-CD1 4.36Å; F472-I476 HydrophobicContact CD1-CG1 3.88Å; F472-I476 HydrophobicContact CE1-CD1 3.75Å; F472-I476 HydrophobicContact CE1-CG1 3.74Å; F472-I476 HydrophobicContact CZ-CD1 4.31Å; F472-I476 WeakPolarHBondContact O-CG1 3.04Å; F472-I476 PolarHBondContact O-N 2.94Å; F472-I476 VanDerWaalsContact O-N 3.17Å; F472-I573 HydrophobicContact CZ-CG2 4.13Å; F472-F577 HydrophobicContact CE2-CD2 4.12Å; F472-F577 HydrophobicContact CE2-CE2 4.4Å; F472-F577 HydrophobicContact CE2-CG 4.46Å; F472-R580 HydrophobicContact CE1-CB 4.18Å; F472-R580 HydrophobicContact CE2-CB 4.45Å; F472-R580 HydrophobicContact CZ-CB 3.65Å; F472-R580 HydrophobicContact CZ-CG 4.24Å
473	Q	96.3	Very high	96.4	Very high	99 Å²	99	55.1 Å²	55.1	46%	0.463	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-33.7	179.3	-171.4	60.4	49.9	0	0	112.6	Q469 N470 L471 Y475 I476 N477	Q469-Q473 WeakPolarHBondContact O-CB 3.48Å; Q469-Q473 PolarHBondContact O-N 3.39Å; N470-Q473 PolarHBondContact O-N 3.34Å; L471-Q473 PolarHBondContact O-N 3.1Å; Q473-Y475 PolarHBondContact O-N 2.94Å; Q473-I476 PolarHBondContact O-N 3.24Å; Q473-N477 PolarHBondContact NE2-OD1 2.86Å; Q473-N477 PolarHBondContact O-N 3.29Å; Q473-N477 PolarHBondContact O-OD1 3.37Å
474	H	96.9	Very high	96.3	Very high	83 Å²	83	57.9 Å²	57.9	38%	0.384	29%	0.292	S	S	.	.	H	α-helix	trans	-59.1	-45.6	175.6	-176.9	63	0	0	0	111.8	L441 N470 L471 F472 N477 H478	L441-H474 WeakPolarHBondContact CD1-NE2 3.47Å; N470-H474 WeakPolarHBondContact O-CB 3.49Å; N470-H474 PolarHBondContact O-N 2.93Å; L471-H474 WeakPolarHBondContact O-CB 3.01Å; L471-H474 PolarHBondContact O-N 3.19Å; F472-H474 VanDerWaalsContact C-N 3.28Å; F472-H474 PolarHBondContact O-N 2.76Å; H474-N477 PolarHBondContact O-N 2.85Å; H474-H478 PolarHBondContact O-N 2.89Å; H474-H478 VanDerWaalsContact O-N 3.12Å
475	Y	97.5	Very high	96.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-36.9	174.9	-71	-66.3	0	0	0	113.2	A437 L441 I459 L463 L471 F472 Q473 N477 H478 I479 L569	A437-Y475 WeakPolarHBondContact CA-OH 3.3Å; L441-Y475 HydrophobicContact CD2-CD1 3.46Å; L441-Y475 VanDerWaalsContact CD2-CD1 3.46Å; L441-Y475 HydrophobicContact CD2-CE1 3.66Å; L441-Y475 HydrophobicContact CG-CD1 4.07Å; L441-Y475 HydrophobicContact CG-CE1 3.83Å; I459-Y475 HydrophobicContact CB-CE1 4.27Å; I459-Y475 HydrophobicContact CD1-CD1 4.05Å; I459-Y475 HydrophobicContact CD1-CE1 3.61Å; I459-Y475 HydrophobicContact CG1-CD1 4.4Å; I459-Y475 HydrophobicContact CG1-CE1 3.68Å; I459-Y475 HydrophobicContact CG2-CD1 3.68Å; I459-Y475 HydrophobicContact CG2-CD2 3.8Å; I459-Y475 HydrophobicContact CG2-CE1 3.56Å; I459-Y475 HydrophobicContact CG2-CE2 3.64Å; I459-Y475 HydrophobicContact CG2-CG 3.82Å; L463-Y475 HydrophobicContact CD1-CD2 3.84Å; L463-Y475 HydrophobicContact CD1-CE2 4.33Å; L463-Y475 HydrophobicContact CD2-CD2 3.9Å; L463-Y475 HydrophobicContact CD2-CE2 4.01Å; L463-Y475 HydrophobicContact CG-CD2 4.13Å; L463-Y475 HydrophobicContact CG-CE2 4.19Å; L471-Y475 HydrophobicContact CD1-CD2 4.23Å; L471-Y475 HydrophobicContact CD1-CE2 3.53Å; L471-Y475 HydrophobicContact CD2-CE2 4.43Å; L471-Y475 HydrophobicContact CG-CD2 4.25Å; L471-Y475 HydrophobicContact CG-CE2 3.74Å; L471-Y475 WeakPolarHBondContact O-CD2 3.33Å; L471-Y475 PolarHBondContact O-N 2.94Å; F472-Y475 PolarHBondContact O-N 3.4Å; Q473-Y475 PolarHBondContact O-N 2.94Å; Y475-N477 VanDerWaalsContact C-N 3.35Å; Y475-H478 PolarHBondContact O-N 2.66Å; Y475-I479 WeakPolarHBondContact O-CG1 3.3Å; Y475-I479 PolarHBondContact O-N 3.1Å; Y475-L569 HydrophobicContact CD1-CD2 4.17Å; Y475-L569 HydrophobicContact CG-CD2 4.39Å
476	I	97.1	Very high	96.2	Very high	24 Å²	24	49.8 Å²	49.8	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-44	174.9	-60.7	-62.7	0	0	0	111	F472 Q473 H478 I479 V480 I573 L585	F472-I476 HydrophobicContact CD1-CD1 4.36Å; F472-I476 HydrophobicContact CD1-CG1 3.88Å; F472-I476 HydrophobicContact CE1-CD1 3.75Å; F472-I476 HydrophobicContact CE1-CG1 3.74Å; F472-I476 HydrophobicContact CZ-CD1 4.31Å; F472-I476 WeakPolarHBondContact O-CG1 3.04Å; F472-I476 PolarHBondContact O-N 2.94Å; F472-I476 VanDerWaalsContact O-N 3.17Å; Q473-I476 PolarHBondContact O-N 3.24Å; I476-H478 VanDerWaalsContact C-N 3.32Å; I476-H478 PolarHBondContact O-N 3.36Å; I476-I479 HydrophobicContact CD1-CD1 4.43Å; I476-I479 WeakPolarHBondContact O-CB 3.28Å; I476-I479 PolarHBondContact O-N 2.9Å; I476-V480 WeakPolarHBondContact O-CG2 3.48Å; I476-V480 PolarHBondContact O-N 2.8Å; I476-V480 VanDerWaalsContact O-N 3.12Å; I476-I573 HydrophobicContact CD1-CD1 4.06Å; I476-L585 HydrophobicContact CD1-CD1 3.77Å; I476-L585 HydrophobicContact CD1-CD2 3.93Å; I476-L585 HydrophobicContact CD1-CG 4.3Å; I476-L585 HydrophobicContact CG2-CD2 4.41Å
477	N	97.4	Very high	96.1	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-40.9	177.4	-66.2	-10.9	0	0	0	111.4	Q473 H474 Y475 V480 E481	Q473-N477 PolarHBondContact NE2-OD1 2.86Å; Q473-N477 PolarHBondContact O-N 3.29Å; Q473-N477 PolarHBondContact O-OD1 3.37Å; H474-N477 PolarHBondContact O-N 2.85Å; Y475-N477 VanDerWaalsContact C-N 3.35Å; N477-V480 PolarHBondContact O-N 2.96Å; N477-E481 WeakPolarHBondContact O-CB 3.3Å; N477-E481 PolarHBondContact O-N 3.3Å
478	H	97.4	Very high	96.1	Very high	22 Å²	22	53.5 Å²	53.5	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-42.6	175.4	-170.2	94.8	0	0	0	112	L441 S445 H474 Y475 I476 V480 E481 K482	L441-H478 HydrophobicContact CD1-CB 4.19Å; L441-H478 HydrophobicContact CD2-CB 3.83Å; L441-H478 VanDerWaalsContact CD2-CG 3.45Å; S445-H478 PolarHBondContact OG-NE2 3.05Å; H474-H478 PolarHBondContact O-N 2.89Å; H474-H478 VanDerWaalsContact O-N 3.12Å; Y475-H478 PolarHBondContact O-N 2.66Å; I476-H478 VanDerWaalsContact C-N 3.32Å; I476-H478 PolarHBondContact O-N 3.36Å; H478-V480 VanDerWaalsContact C-N 3.34Å; H478-V480 PolarHBondContact O-N 3.44Å; H478-E481 PolarHBondContact O-N 3.02Å; H478-K482 WeakPolarHBondContact CE1-CE 3.19Å; H478-K482 WeakPolarHBondContact NE2-CE 3.4Å; H478-K482 WeakPolarHBondContact NE2-CG 3.38Å; H478-K482 WeakPolarHBondContact O-CG 3.39Å; H478-K482 PolarHBondContact O-N 3.37Å
479	I	97.9	Very high	96	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-51	175.6	-70.2	166.1	0	0	0	110.2	Y475 I476 E481 K482 I483 A566 L569 I570 I573 L585	Y475-I479 WeakPolarHBondContact O-CG1 3.3Å; Y475-I479 PolarHBondContact O-N 3.1Å; I476-I479 HydrophobicContact CD1-CD1 4.43Å; I476-I479 WeakPolarHBondContact O-CB 3.28Å; I476-I479 PolarHBondContact O-N 2.9Å; I479-E481 PolarHBondContact O-N 3.22Å; I479-K482 PolarHBondContact O-N 3.28Å; I479-I483 HydrophobicContact CG2-CG1 4.35Å; I479-I483 WeakPolarHBondContact O-CB 3.37Å; I479-I483 WeakPolarHBondContact O-CG1 3.46Å; I479-I483 PolarHBondContact O-N 3.48Å; I479-A566 HydrophobicContact CB-CB 4.36Å; I479-A566 HydrophobicContact CG1-CB 4.26Å; I479-A566 HydrophobicContact CG2-CB 4.28Å; I479-L569 HydrophobicContact CD1-CB 4.3Å; I479-L569 HydrophobicContact CD1-CD2 3.95Å; I479-L569 HydrophobicContact CD1-CG 4.01Å; I479-L569 HydrophobicContact CG1-CD2 4.17Å; I479-I570 HydrophobicContact CD1-CG1 4.08Å; I479-I570 HydrophobicContact CG2-CD1 3.79Å; I479-I570 HydrophobicContact CG2-CG1 3.9Å; I479-I573 HydrophobicContact CD1-CD1 3.96Å; I479-L585 HydrophobicContact CD1-CD2 4.27Å; I479-L585 HydrophobicContact CG2-CD2 4.13Å
480	V	97.3	Very high	95.7	Very high	46 Å²	46	50.3 Å²	50.3	28%	0.279	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-46	179.8	177.4	0	0	0	0	111	I476 N477 H478 K482 I483 D484 Q588	I476-V480 WeakPolarHBondContact O-CG2 3.48Å; I476-V480 PolarHBondContact O-N 2.8Å; I476-V480 VanDerWaalsContact O-N 3.12Å; N477-V480 PolarHBondContact O-N 2.96Å; H478-V480 VanDerWaalsContact C-N 3.34Å; H478-V480 PolarHBondContact O-N 3.44Å; V480-K482 PolarHBondContact O-N 2.9Å; V480-I483 PolarHBondContact O-N 3.46Å; V480-D484 WeakPolarHBondContact O-CB 3.14Å; V480-D484 VanDerWaalsContact O-CG 3.3Å; V480-D484 PolarHBondContact O-N 3.34Å; V480-Q588 HydrophobicContact CG2-CG 4.14Å
481	E	97.4	Very high	95.2	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.533	26%	0.26	S	S	.	.	H	α-helix	trans	-57.6	-47.3	178.9	-173.9	-161.3	130.6	0	0	112.1	N477 H478 I479 D484 G485	N477-E481 WeakPolarHBondContact O-CB 3.3Å; N477-E481 PolarHBondContact O-N 3.3Å; H478-E481 PolarHBondContact O-N 3.02Å; I479-E481 PolarHBondContact O-N 3.22Å; E481-D484 PolarHBondContact O-N 2.85Å; E481-G485 PolarHBondContact O-N 2.91Å
482	K	97.2	Very high	94.2	Very high	29 Å²	29	57.9 Å²	57.9	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-72.2	-35.5	-176.9	-61.4	-36.6	-173.7	176.6	0	112.1	H478 I479 V480 G485 E562 A566	H478-K482 WeakPolarHBondContact CE1-CE 3.19Å; H478-K482 WeakPolarHBondContact NE2-CE 3.4Å; H478-K482 WeakPolarHBondContact NE2-CG 3.38Å; H478-K482 WeakPolarHBondContact O-CG 3.39Å; H478-K482 PolarHBondContact O-N 3.37Å; I479-K482 PolarHBondContact O-N 3.28Å; V480-K482 PolarHBondContact O-N 2.9Å; K482-G485 PolarHBondContact O-N 2.99Å; K482-E562 HydrophobicContact CB-CB 4.3Å; K482-E562 HydrophobicContact CD-CB 4.12Å; K482-E562 WeakPolarHBondContact CD-OE2 3.2Å; K482-E562 WeakPolarHBondContact CE-OE2 3.47Å; K482-E562 HydrophobicContact CG-CB 4.18Å; K482-E562 IonicContact NZ-OE2 2.98Å; K482-E562 PolarHBondContact NZ-OE2 2.76Å; K482-A566 HydrophobicContact CB-CB 4.1Å
483	I	97	Very high	92.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-44	174.1	-64.2	-71.7	0	0	0	111.1	I479 V480 G485 L486 A563 A566 I567 Q588 K591 F604	I479-I483 HydrophobicContact CG2-CG1 4.35Å; I479-I483 WeakPolarHBondContact O-CB 3.37Å; I479-I483 WeakPolarHBondContact O-CG1 3.46Å; I479-I483 PolarHBondContact O-N 3.48Å; V480-I483 PolarHBondContact O-N 3.46Å; I483-G485 PolarHBondContact O-N 2.88Å; I483-L486 HydrophobicContact CD1-CD1 4.19Å; I483-L486 HydrophobicContact CG2-CD1 4.49Å; I483-L486 WeakPolarHBondContact O-CB 3.44Å; I483-L486 VanDerWaalsContact O-CD1 3.32Å; I483-L486 WeakPolarHBondContact O-CD1 3.29Å; I483-L486 PolarHBondContact O-N 3.23Å; I483-A563 HydrophobicContact CD1-CB 4.13Å; I483-A566 HydrophobicContact CD1-CB 4.36Å; I483-A566 HydrophobicContact CG1-CB 4.24Å; I483-I567 HydrophobicContact CD1-CG2 3.55Å; I483-Q588 HydrophobicContact CG1-CB 4.44Å; I483-Q588 HydrophobicContact CG2-CB 4.36Å; I483-Q588 WeakPolarHBondContact CG2-O 3.34Å; I483-K591 HydrophobicContact CG2-CB 4.46Å; I483-K591 HydrophobicContact CG2-CD 4.34Å; I483-K591 HydrophobicContact CG2-CG 4.45Å; I483-F604 HydrophobicContact CD1-CZ 4.41Å
484	D	96	Very high	90.9	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.342	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-30.6	173.8	-74.5	-12.8	0	0	0	112.3	V480 E481 L486 S487 K591	V480-D484 WeakPolarHBondContact O-CB 3.14Å; V480-D484 VanDerWaalsContact O-CG 3.3Å; V480-D484 PolarHBondContact O-N 3.34Å; E481-D484 PolarHBondContact O-N 2.85Å; D484-L486 VanDerWaalsContact C-N 3.29Å; D484-L486 PolarHBondContact O-N 3.17Å; D484-S487 WeakPolarHBondContact O-CB 3.42Å; D484-S487 PolarHBondContact O-N 3.22Å; D484-S487 PolarHBondContact O-OG 3.37Å; D484-K591 IonicContact OD1-NZ 3.63Å; D484-K591 PolarHBondContact OD1-NZ 3.39Å
485	G	95	Very high	88.4	Confident	14 Å²	14	56.6 Å²	56.6	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-27.6	175.7	0	0	0	0	0	114.9	E481 K482 I483 S487 K488	E481-G485 PolarHBondContact O-N 2.91Å; K482-G485 PolarHBondContact O-N 2.99Å; I483-G485 PolarHBondContact O-N 2.88Å; G485-S487 PolarHBondContact O-N 3.32Å; G485-S487 VanDerWaalsContact O-N 3.1Å; G485-K488 WeakPolarHBondContact O-CB 3.37Å; G485-K488 PolarHBondContact O-N 3.48Å
486	L	94	Very high	85.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-56.5	-28.3	177.3	-85.8	125.7	0	0	0	112.9	I483 D484 K488 Q489 W560 A563 Y595 Y598 F604	I483-L486 HydrophobicContact CD1-CD1 4.19Å; I483-L486 HydrophobicContact CG2-CD1 4.49Å; I483-L486 WeakPolarHBondContact O-CB 3.44Å; I483-L486 VanDerWaalsContact O-CD1 3.32Å; I483-L486 WeakPolarHBondContact O-CD1 3.29Å; I483-L486 PolarHBondContact O-N 3.23Å; D484-L486 VanDerWaalsContact C-N 3.29Å; D484-L486 PolarHBondContact O-N 3.17Å; L486-K488 PolarHBondContact O-N 3.26Å; L486-Q489 WeakPolarHBondContact O-CB 3.33Å; L486-Q489 PolarHBondContact O-N 3.44Å; L486-W560 HydrophobicContact CD2-CB 4.26Å; L486-A563 HydrophobicContact CD1-CB 3.14Å; L486-A563 HydrophobicContact CD2-CB 4.32Å; L486-A563 HydrophobicContact CG-CB 3.65Å; L486-Y595 HydrophobicContact CB-CD1 4.46Å; L486-Y595 HydrophobicContact CB-CD2 3.7Å; L486-Y595 HydrophobicContact CB-CE2 4.05Å; L486-Y595 HydrophobicContact CB-CG 3.93Å; L486-Y595 HydrophobicContact CD2-CD2 4.5Å; L486-Y595 HydrophobicContact CG-CD2 4.49Å; L486-Y598 HydrophobicContact CD2-CE1 4.05Å; L486-F604 HydrophobicContact CD1-CE2 4.3Å; L486-F604 HydrophobicContact CD1-CZ 4.36Å; L486-F604 HydrophobicContact CD2-CE2 4.43Å
487	S	92.7	Very high	82.8	Confident	71 Å²	71	65.2 Å²	65.2	50%	0.497	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-57.3	-21.1	175	63.3	0	0	0	0	113.7	D484 G485	D484-S487 WeakPolarHBondContact O-CB 3.42Å; D484-S487 PolarHBondContact O-N 3.22Å; D484-S487 PolarHBondContact O-OG 3.37Å; G485-S487 PolarHBondContact O-N 3.32Å; G485-S487 VanDerWaalsContact O-N 3.1Å
488	K	92.4	Very high	79.8	Confident	164 Å²	164	63.4 Å²	63.4	71%	0.713	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-95.3	-1.5	178.8	-56.3	173	-174.7	167.8	0	112.9	G485 L486 P490	G485-K488 WeakPolarHBondContact O-CB 3.37Å; G485-K488 PolarHBondContact O-N 3.48Å; L486-K488 PolarHBondContact O-N 3.26Å; K488-P490 VanDerWaalsContact O-CD 3.31Å; K488-P490 WeakPolarHBondContact O-CD 3.35Å
489	Q	92.6	Very high	76.9	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.028	37%	0.371	C	S	.	.			trans	-64.4	121.5	-178.3	-178.3	59.8	43.9	0	0	110.9	L486 S493 E558 P559 W560 N597 Y598	L486-Q489 WeakPolarHBondContact O-CB 3.33Å; L486-Q489 PolarHBondContact O-N 3.44Å; Q489-S493 PolarHBondContact NE2-OG 2.83Å; Q489-E558 PolarHBondContact NE2-OE2 3.26Å; Q489-P559 HydrophobicContact CB-CB 4.36Å; Q489-W560 HydrophobicContact CG-CB 4.34Å; Q489-N597 PolarHBondContact O-ND2 3.36Å; Q489-Y598 HydrophobicContact CB-CD1 4.33Å; Q489-Y598 HydrophobicContact CG-CD1 3.72Å; Q489-Y598 HydrophobicContact CG-CD2 3.93Å; Q489-Y598 HydrophobicContact CG-CE1 4.39Å; Q489-Y598 HydrophobicContact CG-CG 3.48Å; Q489-Y598 VanDerWaalsContact CG-CG 3.48Å
490	P	89	Confident	73.9	Confident	66 Å²	66	77.5 Å²	77.5	43%	0.429	41%	0.409	S	S	.	.			trans	-61.9	151	174	-23.2	34.5	0	0	0	112.4	K488 E492 Y598	K488-P490 VanDerWaalsContact O-CD 3.31Å; K488-P490 WeakPolarHBondContact O-CD 3.35Å; P490-E492 VanDerWaalsContact C-N 3.34Å; P490-E492 PolarHBondContact O-N 2.99Å; P490-Y598 VanDerWaalsContact O-CB 3.26Å; P490-Y598 WeakPolarHBondContact O-CB 3.38Å
491	K	86.2	Confident	71	Confident	159 Å²	159	81.5 Å²	81.5	69%	0.691	43%	0.432	S	S	*	.	S	Bend	trans	-61.8	-44.3	176.5	-64.6	-169.7	174.1	179.9	0	112.1	S493 N597 Y598 T599	K491-S493 PolarHBondContact O-N 3.34Å; K491-N597 VanDerWaalsContact CA-O 3.29Å; K491-N597 WeakPolarHBondContact CA-O 3.24Å; K491-N597 WeakPolarHBondContact CG-O 3.36Å; K491-Y598 WeakPolarHBondContact O-CA 3.46Å; K491-T599 PolarHBondContact O-N 2.81Å; K491-T599 VanDerWaalsContact O-N 3.14Å; K491-T599 PolarHBondContact O-OG1 2.76Å
492	E	74.6	Confident	67.9	Low	149 Å²	149	81.8 Å²	81.8	70%	0.696	45%	0.447	S	S	*	.	S	Bend	trans	-84.1	91.2	171	-63.4	-168.4	-175.6	0	0	107.5	P490 H494	P490-E492 VanDerWaalsContact C-N 3.34Å; P490-E492 PolarHBondContact O-N 2.99Å; E492-H494 PolarHBondContact O-N 3.3Å
493	S	65.5	Low	64.8	Low	10 Å²	10	83 Å²	83	7%	0.07	47%	0.468	C	S	.	.			trans	-67.1	121.5	162.7	-79.1	0	0	0	0	107.8	Q489 K491 G495 E558 H600	Q489-S493 PolarHBondContact NE2-OG 2.83Å; K491-S493 PolarHBondContact O-N 3.34Å; S493-G495 PolarHBondContact O-N 2.96Å; S493-E558 WeakPolarHBondContact CA-OE2 3.47Å; S493-E558 WeakPolarHBondContact CB-OE2 3.32Å; S493-E558 PolarHBondContact OG-OE2 2.91Å; S493-H600 WeakPolarHBondContact CB-ND1 3.46Å; S493-H600 PolarHBondContact O-CE1 2.67Å
494	H	57.3	Low	61.8	Low	123 Å²	123	93.1 Å²	93.1	57%	0.569	51%	0.512	S	S	*	.			trans	-72.5	76.5	178.8	-66.8	-62.5	0	0	0	110.8	E492 A496 E558	E492-H494 PolarHBondContact O-N 3.3Å; H494-A496 PolarHBondContact O-N 2.96Å; H494-A496 VanDerWaalsContact O-N 3.1Å; H494-E558 WeakPolarHBondContact CA-OE1 3.17Å; H494-E558 WeakPolarHBondContact CB-OE1 3.25Å; H494-E558 PolarHBondContact N-OE1 3.16Å
495	G	46	Very low	58.9	Low	38 Å²	38	93.3 Å²	93.3	39%	0.392	53%	0.529	S	S	.	.	S	Bend	trans	-78	73.9	156.4	0	0	0	0	0	109.3	S493 E497 H600	S493-G495 PolarHBondContact O-N 2.96Å; G495-E497 VanDerWaalsContact C-N 3.27Å; G495-E497 PolarHBondContact O-N 2.72Å; G495-H600 PolarHBondContact N-CE1 2.88Å
496	A	40.2	Very low	55.8	Low	55 Å²	55	99.5 Å²	99.5	46%	0.455	57%	0.567	S	S	.	*	S	Bend	trans	51	25.5	166.8	0	0	0	0	0	118.5	H494	H494-A496 PolarHBondContact O-N 2.96Å; H494-A496 VanDerWaalsContact O-N 3.1Å
497	E	35.6	Very low	52.9	Low	150 Å²	150	103.5 Å²	103.5	70%	0.701	61%	0.607	S	S	*	*			trans	-93.5	111.8	172.8	-81.1	-159.2	143.8	0	0	112.7	G495	G495-E497 VanDerWaalsContact C-N 3.27Å; G495-E497 PolarHBondContact O-N 2.72Å
498	S	34.8	Very low	50	Low	52 Å²	52	104 Å²	104	36%	0.364	62%	0.616	S	S	.	*			trans	-43.1	138.9	162.4	-167.8	0	0	0	0	111.4	R500 R523	S498-R500 VanDerWaalsContact C-N 3.27Å; S498-R500 PolarHBondContact O-N 2.83Å; S498-R523 PolarHBondContact OG-NH1 3.38Å
499	S	36.8	Very low	47	Very low	109 Å²	109	102.2 Å²	102.2	76%	0.762	62%	0.624	S	S	*	*			trans	-47.4	103.6	143.1	30.6	0	0	0	0	106.8	V501	S499-V501 PolarHBondContact O-N 3.43Å
500	R	33.7	Very low	44.2	Very low	209 Å²	209	109.1 Å²	109.1	79%	0.789	66%	0.656	S	S	*	*			trans	-57.5	107.6	174.3	-81.2	-178.2	-179.8	172	3.3	105.5	S498 S502	S498-R500 VanDerWaalsContact C-N 3.27Å; S498-R500 PolarHBondContact O-N 2.83Å; R500-S502 VanDerWaalsContact C-N 3.27Å; R500-S502 PolarHBondContact O-N 2.76Å
501	V	36.1	Very low	42	Very low	129 Å²	129	111.9 Å²	111.9	78%	0.782	67%	0.672	S	S	*	*			trans	-56.6	104.9	157.6	176.4	0	0	0	0	104.5	S499 G503	S499-V501 PolarHBondContact O-N 3.43Å; V501-G503 PolarHBondContact O-N 3.17Å
502	S	34.1	Very low	39.9	Very low	121 Å²	121	108.7 Å²	108.7	85%	0.846	67%	0.666	S	S	*	*			trans	-62.5	90.8	173.5	59.9	0	0	0	0	107.4	R500	R500-S502 VanDerWaalsContact C-N 3.27Å; R500-S502 PolarHBondContact O-N 2.76Å
503	G	31.6	Very low	38.5	Very low	54 Å²	54	107.8 Å²	107.8	56%	0.557	67%	0.67	S	S	*	*			trans	-178.3	95.1	-175.9	0	0	0	0	0	113.3	V501	V501-G503 PolarHBondContact O-N 3.17Å
504	K	34.6	Very low	37.5	Very low	213 Å²	213	111.1 Å²	111.1	93%	0.926	68%	0.684	S	S	*	*			trans	89.5	95.1	157.8	-53.5	179.3	-179.3	179.8	0	117.8
505	G	33.9	Very low	37.1	Very low	68 Å²	68	110.4 Å²	110.4	70%	0.701	69%	0.693	S	S	*	*			trans	75	130.3	131.1	0	0	0	0	0	119.2	G507	G505-G507 PolarHBondContact O-N 3.08Å
506	P	29.3	Very low	37.6	Very low	144 Å²	144	111 Å²	111	94%	0.935	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	121.3	170.2	30.8	-28.6	0	0	0	109.6
507	G	33.9	Very low	38.1	Very low	83 Å²	83	115.8 Å²	115.8	86%	0.856	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	141.8	-0.4	164.7	0	0	0	0	0	119	G505	G505-G507 PolarHBondContact O-N 3.08Å
508	A	31	Very low	38.8	Very low	82 Å²	82	110.6 Å²	110.6	68%	0.678	70%	0.7	S	S	*	*			trans	-109.5	97.7	179.5	0	0	0	0	0	111.8	H510	A508-H510 PolarHBondContact O-N 3.21Å
509	S	30.8	Very low	39.5	Very low	126 Å²	126	110.6 Å²	110.6	88%	0.881	70%	0.703	S	S	*	*			trans	-69.4	83.7	158.4	178.5	0	0	0	0	108
510	H	33.6	Very low	40.3	Very low	152 Å²	152	112.7 Å²	112.7	70%	0.704	70%	0.701	S	S	*	*			trans	-108.6	109.1	170.9	-117.8	-60.9	0	0	0	107.9	A508 T512	A508-H510 PolarHBondContact O-N 3.21Å; H510-T512 VanDerWaalsContact C-N 3.32Å; H510-T512 PolarHBondContact O-N 3.15Å; H510-T512 PolarHBondContact O-OG1 3.32Å
511	V	41.3	Very low	41.1	Very low	124 Å²	124	104.4 Å²	104.4	75%	0.752	67%	0.672	S	S	*	*			trans	-59.1	100.7	162.9	177.8	0	0	0	0	106.4	V513	V511-V513 HydrophobicContact CG1-CG2 4.47Å; V511-V513 PolarHBondContact O-N 2.7Å
512	T	42.1	Very low	42	Very low	92 Å²	92	101.9 Å²	101.9	56%	0.564	66%	0.66	S	S	*	*			trans	-85.9	105.2	173.8	-52.5	0	0	0	0	105.9	H510 H514	H510-T512 VanDerWaalsContact C-N 3.32Å; H510-T512 PolarHBondContact O-N 3.15Å; H510-T512 PolarHBondContact O-OG1 3.32Å; T512-H514 PolarHBondContact O-N 3.37Å
513	V	46.7	Very low	42.8	Very low	130 Å²	130	99.4 Å²	99.4	79%	0.788	63%	0.632	S	S	*	*			trans	-69.4	102.9	171.9	-176.7	0	0	0	0	106.7	V511	V511-V513 HydrophobicContact CG1-CG2 4.47Å; V511-V513 PolarHBondContact O-N 2.7Å
514	H	43	Very low	43.8	Very low	79 Å²	79	102.9 Å²	102.9	37%	0.366	63%	0.634	S	S	.	*			trans	-74	142.9	170	-67.6	-65.8	0	0	0	109.1	T512 A518 A519	T512-H514 PolarHBondContact O-N 3.37Å; H514-A518 HydrophobicContact CB-CB 3.83Å; H514-A518 VanDerWaalsContact CB-O 3.29Å; H514-A518 WeakPolarHBondContact CB-O 3.43Å; H514-A519 WeakPolarHBondContact O-CB 2.8Å
515	S	49.4	Very low	44.8	Very low	108 Å²	108	94.7 Å²	94.7	76%	0.755	60%	0.602	S	S	*	*			trans	-117.1	156.8	171.1	56.7	0	0	0	0	109.7
516	G	56.9	Low	45.7	Very low	51 Å²	51	92 Å²	92	53%	0.526	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	74.7	-150.1	-176.2	0	0	0	0	0	113.1	A518 A519	G516-A518 PolarHBondContact O-N 2.93Å; G516-A518 VanDerWaalsContact O-N 3.14Å; G516-A519 VanDerWaalsContact O-CB 3.24Å; G516-A519 WeakPolarHBondContact O-CB 3.35Å; G516-A519 PolarHBondContact O-N 3.2Å
517	D	51.5	Low	47	Very low	155 Å²	155	89.6 Å²	89.6	83%	0.829	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-57.5	-29.8	-177.5	-60.6	-25.9	0	0	0	113	A519 H520	D517-A519 VanDerWaalsContact C-N 3.27Å; D517-A519 PolarHBondContact O-N 2.92Å; D517-H520 CarbonylContact O-C 3.55Å; D517-H520 PolarHBondContact O-N 3.07Å
518	A	49.3	Very low	47.7	Very low	42 Å²	42	89.1 Å²	89.1	35%	0.347	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-72.2	-16.4	176.7	0	0	0	0	0	113.8	H514 G516	H514-A518 HydrophobicContact CB-CB 3.83Å; H514-A518 VanDerWaalsContact CB-O 3.29Å; H514-A518 WeakPolarHBondContact CB-O 3.43Å; G516-A518 PolarHBondContact O-N 2.93Å; G516-A518 VanDerWaalsContact O-N 3.14Å
519	A	50.2	Low	48.7	Very low	52 Å²	52	89.3 Å²	89.3	43%	0.43	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-76.8	-29.6	171.5	0	0	0	0	0	111.7	H514 G516 D517 D521	H514-A519 WeakPolarHBondContact O-CB 2.8Å; G516-A519 VanDerWaalsContact O-CB 3.24Å; G516-A519 WeakPolarHBondContact O-CB 3.35Å; G516-A519 PolarHBondContact O-N 3.2Å; D517-A519 VanDerWaalsContact C-N 3.27Å; D517-A519 PolarHBondContact O-N 2.92Å; A519-D521 PolarHBondContact O-N 3.49Å
520	H	52.7	Low	49.3	Very low	153 Å²	153	93.2 Å²	93.2	71%	0.708	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-89.9	35	175.2	-69.2	-69.9	0	0	0	111.8	D517 S522	D517-H520 CarbonylContact O-C 3.55Å; D517-H520 PolarHBondContact O-N 3.07Å; H520-S522 PolarHBondContact O-N 3.13Å
521	D	50.9	Low	49.7	Very low	34 Å²	34	88.7 Å²	88.7	18%	0.182	50%	0.498	C	S	.	.			trans	-65.9	125.5	179.7	-155.7	-56.9	0	0	0	110.4	A519 R523 H524 T525	A519-D521 PolarHBondContact O-N 3.49Å; D521-R523 HydrophobicContact CB-CB 4.31Å; D521-R523 PolarHBondContact O-N 2.94Å; D521-R523 WeakPolarHBondContact OD1-CB 3.38Å; D521-R523 WeakPolarHBondContact OD1-CG 3.33Å; D521-R523 PolarHBondContact OD1-N 3.24Å; D521-R523 IonicContact OD1-NE 3.3Å; D521-R523 PolarHBondContact OD1-NE 3.47Å; D521-R523 VanDerWaalsContact OD1-NE 3.1Å; D521-R523 IonicContact OD2-CZ 3.19Å; D521-R523 IonicContact OD2-NE 3.2Å; D521-R523 PolarHBondContact OD2-NE 2.87Å; D521-R523 IonicContact OD2-NH2 2.96Å; D521-R523 PolarHBondContact OD2-NH2 3.47Å; D521-H524 PolarHBondContact O-N 3.32Å; D521-T525 PolarHBondContact O-OG1 2.92Å
522	S	54.7	Low	50	Low	77 Å²	77	85 Å²	85	54%	0.538	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-55.7	-20.8	173.2	53.4	0	0	0	0	112	H520 H524 T525	H520-S522 PolarHBondContact O-N 3.13Å; S522-H524 VanDerWaalsContact C-N 3.25Å; S522-H524 PolarHBondContact O-N 2.91Å; S522-T525 PolarHBondContact O-N 3.28Å
523	R	50.8	Low	50.1	Low	69 Å²	69	82.2 Å²	82.2	26%	0.26	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-56.3	-34	170.8	-71.8	179.1	-64.8	158.9	10.1	113.3	S498 D521 Q527	S498-R523 PolarHBondContact OG-NH1 3.38Å; D521-R523 HydrophobicContact CB-CB 4.31Å; D521-R523 PolarHBondContact O-N 2.94Å; D521-R523 WeakPolarHBondContact OD1-CB 3.38Å; D521-R523 WeakPolarHBondContact OD1-CG 3.33Å; D521-R523 PolarHBondContact OD1-N 3.24Å; D521-R523 IonicContact OD1-NE 3.3Å; D521-R523 PolarHBondContact OD1-NE 3.47Å; D521-R523 VanDerWaalsContact OD1-NE 3.1Å; D521-R523 IonicContact OD2-CZ 3.19Å; D521-R523 IonicContact OD2-NE 3.2Å; D521-R523 PolarHBondContact OD2-NE 2.87Å; D521-R523 IonicContact OD2-NH2 2.96Å; D521-R523 PolarHBondContact OD2-NH2 3.47Å; R523-Q527 PolarHBondContact O-NE2 2.74Å; R523-Q527 VanDerWaalsContact O-NE2 3.08Å
524	H	53.8	Low	50.1	Low	126 Å²	126	78.3 Å²	78.3	58%	0.583	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-106.7	1	-172.8	-58.7	-51.7	0	0	0	113.7	D521 S522	D521-H524 PolarHBondContact O-N 3.32Å; S522-H524 VanDerWaalsContact C-N 3.25Å; S522-H524 PolarHBondContact O-N 2.91Å
525	T	54.2	Low	50.4	Low	41 Å²	41	79 Å²	79	25%	0.252	45%	0.451	S	S	.	.	S	Bend	trans	-100.2	139.6	-177.6	-46.7	0	0	0	0	109.3	D521 S522 Q527 H553	D521-T525 PolarHBondContact O-OG1 2.92Å; S522-T525 PolarHBondContact O-N 3.28Å; T525-Q527 VanDerWaalsContact C-N 3.29Å; T525-Q527 PolarHBondContact O-N 3.39Å; T525-H553 HydrophobicContact CG2-CB 4.4Å; T525-H553 WeakPolarHBondContact CG2-O 3.01Å
526	D	54.4	Low	50.5	Low	13 Å²	13	75.1 Å²	75.1	7%	0.07	43%	0.426	C	S	.	.	S	Bend	trans	55.6	35.2	-178.5	-84.7	-11.1	0	0	0	115.2	R409 I448 Q554	R409-D526 IonicContact CZ-OD2 3.79Å; R409-D526 IonicContact NH1-OD1 2.84Å; R409-D526 IonicContact NH1-OD2 2.79Å; R409-D526 IonicContact NH2-OD1 3.26Å; R409-D526 IonicContact NH2-OD2 3.23Å; R409-D526 PolarHBondContact NH2-OD2 2.8Å; I448-D526 HydrophobicContact CD1-CB 4.49Å; I448-D526 VanDerWaalsContact CD1-O 3.31Å; I448-D526 WeakPolarHBondContact CD1-O 3.24Å; D526-Q554 WeakPolarHBondContact OD2-CA 3.27Å
527	Q	56	Low	50.3	Low	93 Å²	93	75.7 Å²	75.7	44%	0.435	42%	0.42	S	S	.	.			trans	-79.2	161.1	163.4	-63	-66	-20.3	0	0	110.4	W406 R523 T525 M529	W406-Q527 PolarHBondContact NE1-O 3.06Å; R523-Q527 PolarHBondContact O-NE2 2.74Å; R523-Q527 VanDerWaalsContact O-NE2 3.08Å; T525-Q527 VanDerWaalsContact C-N 3.29Å; T525-Q527 PolarHBondContact O-N 3.39Å; Q527-M529 PolarHBondContact O-N 3.02Å
528	V	48.7	Very low	50.5	Low	73 Å²	73	69.2 Å²	69.2	44%	0.442	39%	0.385	S	S	.	.			trans	-58.3	110.3	173.1	-174.8	0	0	0	0	108.7	W406 Y530	W406-V528 HydrophobicContact CZ2-CG1 4.09Å; V528-Y530 HydrophobicContact CB-CD2 4.41Å; V528-Y530 HydrophobicContact CB-CE2 3.68Å; V528-Y530 HydrophobicContact CG1-CD1 4.37Å; V528-Y530 HydrophobicContact CG1-CD2 4.13Å; V528-Y530 HydrophobicContact CG1-CE1 3.76Å; V528-Y530 HydrophobicContact CG1-CE2 3.49Å; V528-Y530 VanDerWaalsContact CG1-CE2 3.49Å; V528-Y530 WeakPolarHBondContact CG1-OH 3.29Å; V528-Y530 VanDerWaalsContact O-CD2 3.22Å; V528-Y530 WeakPolarHBondContact O-CD2 3.36Å; V528-Y530 WeakPolarHBondContact O-CE2 3.41Å
529	M	50.8	Low	50.6	Low	85 Å²	85	72.1 Å²	72.1	42%	0.419	39%	0.394	S	S	.	.			trans	-81.3	125.5	178.6	-72	-165.3	176.7	0	0	108.9	Q527	Q527-M529 PolarHBondContact O-N 3.02Å
530	Y	44.6	Very low	50.6	Low	208 Å²	208	75.9 Å²	75.9	82%	0.816	40%	0.403	S	S	*	.			trans	-110.8	12.9	-177.9	-69.6	-77.5	0	0	0	113.9	V528	V528-Y530 HydrophobicContact CB-CD2 4.41Å; V528-Y530 HydrophobicContact CB-CE2 3.68Å; V528-Y530 HydrophobicContact CG1-CD1 4.37Å; V528-Y530 HydrophobicContact CG1-CD2 4.13Å; V528-Y530 HydrophobicContact CG1-CE1 3.76Å; V528-Y530 HydrophobicContact CG1-CE2 3.49Å; V528-Y530 VanDerWaalsContact CG1-CE2 3.49Å; V528-Y530 WeakPolarHBondContact CG1-OH 3.29Å; V528-Y530 VanDerWaalsContact O-CD2 3.22Å; V528-Y530 WeakPolarHBondContact O-CD2 3.36Å; V528-Y530 WeakPolarHBondContact O-CE2 3.41Å
531	S	42.7	Very low	50.6	Low	57 Å²	57	75.1 Å²	75.1	40%	0.399	40%	0.397	S	S	.	.			trans	-120.2	115.3	-174.3	-173.9	0	0	0	0	113.1	G533 S534	S531-G533 PolarHBondContact O-N 3.16Å; S531-G533 PolarHBondContact OG-N 3.39Å; S531-S534 WeakPolarHBondContact CB-OG 3.19Å; S531-S534 PolarHBondContact O-OG 3.16Å; S531-S534 VanDerWaalsContact O-OG 3.12Å; S531-S534 PolarHBondContact OG-N 3.33Å
532	C	47	Very low	50.3	Low	46 Å²	46	76.5 Å²	76.5	31%	0.311	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.1	168.3	64.7	0	0	0	0	113.7	V320	V320-C532 HydrophobicContact CG1-CB 3.48Å; V320-C532 VanDerWaalsContact CG1-CB 3.48Å
533	G	44.7	Very low	50	Low	35 Å²	35	77.9 Å²	77.9	36%	0.361	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-9.3	-177.7	0	0	0	0	0	114.6	S531 L535	S531-G533 PolarHBondContact O-N 3.16Å; S531-G533 PolarHBondContact OG-N 3.39Å; G533-L535 PolarHBondContact O-N 3.07Å; G533-L535 VanDerWaalsContact O-N 3.14Å
534	S	45.3	Very low	49.3	Very low	48 Å²	48	84.3 Å²	84.3	34%	0.336	44%	0.443	S	S	.	.			trans	-76.5	102.9	169.7	52.2	0	0	0	0	108.2	S531 A536	S531-S534 WeakPolarHBondContact CB-OG 3.19Å; S531-S534 PolarHBondContact O-OG 3.16Å; S531-S534 VanDerWaalsContact O-OG 3.12Å; S531-S534 PolarHBondContact OG-N 3.33Å; S534-A536 VanDerWaalsContact C-N 3.32Å; S534-A536 PolarHBondContact O-N 2.88Å
535	L	49.8	Very low	48.1	Very low	92 Å²	92	82.5 Å²	82.5	48%	0.482	46%	0.459	S	S	.	.			trans	-55.5	104.4	160.6	-67.9	168.6	0	0	0	106.2	N276 N363 G533 P537	N276-L535 HydrophobicContact CB-CD2 4.11Å; N363-L535 HydrophobicContact CB-CD2 4.35Å; G533-L535 PolarHBondContact O-N 3.07Å; G533-L535 VanDerWaalsContact O-N 3.14Å; L535-P537 WeakPolarHBondContact O-CD 3.45Å
536	A	51.5	Low	46.8	Very low	27 Å²	27	84.2 Å²	84.2	22%	0.223	48%	0.484	C	S	.	.			trans	-94.2	78.7	160.8	0	0	0	0	0	104.9	D362 S534 K538	D362-A536 CarbonylContact O-C 3.59Å; S534-A536 VanDerWaalsContact C-N 3.32Å; S534-A536 PolarHBondContact O-N 2.88Å; A536-K538 PolarHBondContact O-N 3.26Å
537	P	52.5	Low	45.7	Very low	63 Å²	63	86.7 Å²	86.7	41%	0.409	51%	0.513	S	S	.	.			trans	-55.3	136.7	-173.8	24.6	-34.3	0	0	0	108.5	D362 L535 L539	D362-P537 WeakPolarHBondContact O-CA 3.37Å; L535-P537 WeakPolarHBondContact O-CD 3.45Å; P537-L539 PolarHBondContact O-N 3Å
538	K	56.4	Low	44.5	Very low	19 Å²	19	87.1 Å²	87.1	8%	0.083	53%	0.525	C	S	.	.			trans	-60	106.5	172.4	-167.5	174.5	-172.1	166	0	107.1	S359 D360 A536 H540	S359-K538 PolarHBondContact O-NZ 2.95Å; D360-K538 IonicContact OD1-NZ 3.37Å; D360-K538 PolarHBondContact OD1-NZ 3.15Å; A536-K538 PolarHBondContact O-N 3.26Å; K538-H540 PolarHBondContact O-N 3.1Å; K538-H540 VanDerWaalsContact O-N 3.16Å
539	L	50.1	Low	43.7	Very low	103 Å²	103	91.5 Å²	91.5	54%	0.539	54%	0.54	S	S	.	.	S	Bend	trans	-66.1	-22	-172.6	-57.4	167.1	0	0	0	111.4	E404 P537	E404-L539 VanDerWaalsContact OE1-CB 3.27Å; E404-L539 WeakPolarHBondContact OE1-CB 3.47Å; E404-L539 WeakPolarHBondContact OE2-CD1 3.35Å; E404-L539 VanDerWaalsContact OE2-CG 3.22Å; E404-L539 WeakPolarHBondContact OE2-CG 3.5Å; E404-L539 PolarHBondContact OE2-N 3.24Å; P537-L539 PolarHBondContact O-N 3Å
540	H	51.6	Low	43.4	Very low	132 Å²	132	92.1 Å²	92.1	61%	0.611	55%	0.545	S	S	*	.			trans	-120.5	95.4	178.2	-58.5	87.7	0	0	0	111.7	E404 K538	E404-H540 IonicContact OE1-CE1 3.97Å; E404-H540 IonicContact OE1-ND1 3.25Å; E404-H540 PolarHBondContact OE1-ND1 2.91Å; K538-H540 PolarHBondContact O-N 3.1Å; K538-H540 VanDerWaalsContact O-N 3.16Å
541	K	51	Low	43.4	Very low	137 Å²	137	84.5 Å²	84.5	60%	0.596	53%	0.529	S	S	*	.			trans	-87.1	115.1	168.4	-75	-176.7	176.8	170.4	0	110.5	D362	D362-K541 WeakPolarHBondContact OD1-CE 3.45Å; D362-K541 IonicContact OD1-NZ 3.41Å; D362-K541 PolarHBondContact OD1-NZ 3.11Å; D362-K541 IonicContact OD2-NZ 2.85Å; D362-K541 PolarHBondContact OD2-NZ 3.42Å
542	G	45.9	Very low	43.6	Very low	63 Å²	63	88 Å²	88	65%	0.649	54%	0.543	S	S	*	.			trans	143.9	130.7	168.9	0	0	0	0	0	113.8	K544	G542-K544 PolarHBondContact O-N 3.43Å
543	R	48.5	Very low	43.9	Very low	105 Å²	105	88.9 Å²	88.9	40%	0.396	54%	0.542	S	S	.	.	S	Bend	trans	-78.6	5	177.6	-65	-178.9	-178.6	-147.5	-11.8	114.5	D360	D360-R543 IonicContact OD2-NE 3.92Å; D360-R543 PolarHBondContact OD2-NE 3.1Å; D360-R543 IonicContact OD2-NH2 3.95Å
544	K	35	Very low	44.7	Very low	204 Å²	204	89.7 Å²	89.7	89%	0.887	54%	0.537	S	S	*	.	S	Bend	trans	-128.5	105.9	-173.5	-74.7	-172.3	176.7	-178.1	0	111	G542	G542-K544 PolarHBondContact O-N 3.43Å
545	G	29	Very low	46.1	Very low	89 Å²	89	90.4 Å²	90.4	92%	0.918	53%	0.532	S	S	*	.	S	Bend	trans	94.9	96.5	156.1	0	0	0	0	0	115.2
546	G	28.3	Very low	47.5	Very low	76 Å²	76	90.3 Å²	90.3	78%	0.784	54%	0.544	S	S	*	.			trans	163.1	89.6	167.9	0	0	0	0	0	108.8
547	G	29.5	Very low	49.2	Very low	65 Å²	65	90.3 Å²	90.3	67%	0.67	54%	0.543	S	S	*	.			trans	-54	153.3	-177.2	0	0	0	0	0	112.6	H549	G547-H549 VanDerWaalsContact C-N 3.34Å; G547-H549 PolarHBondContact O-N 3.3Å
548	C	31.1	Very low	51	Low	102 Å²	102	88.2 Å²	88.2	69%	0.689	53%	0.528	S	S	*	.			trans	-31.4	89.1	165.7	-63.5	0	0	0	0	113.1
549	H	31.6	Very low	52.9	Low	166 Å²	166	89 Å²	89	77%	0.769	54%	0.535	S	S	*	.			trans	-94.4	69.2	144.3	-75.9	-64.4	0	0	0	106.3	G547 G551 L552	G547-H549 VanDerWaalsContact C-N 3.34Å; G547-H549 PolarHBondContact O-N 3.3Å; H549-G551 PolarHBondContact O-N 2.97Å; H549-G551 VanDerWaalsContact O-N 3.11Å; H549-L552 HydrophobicContact CB-CD1 4.46Å
550	D	44.4	Very low	55	Low	98 Å²	98	84.9 Å²	84.9	52%	0.524	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	109.8	167	-64.2	-18.3	0	0	0	107.3	R442	R442-D550 IonicContact CZ-OD2 3.62Å; R442-D550 IonicContact NH1-OD1 3.1Å; R442-D550 PolarHBondContact NH1-OD1 2.95Å; R442-D550 IonicContact NH1-OD2 3.01Å; R442-D550 PolarHBondContact NH1-OD2 3.39Å
551	G	45	Very low	57.1	Low	47 Å²	47	79 Å²	79	49%	0.485	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	129.6	1.2	167.8	0	0	0	0	0	118.4	H549 H553	H549-G551 PolarHBondContact O-N 2.97Å; H549-G551 VanDerWaalsContact O-N 3.11Å; G551-H553 PolarHBondContact O-N 3.39Å
552	L	47	Very low	59.2	Low	131 Å²	131	74.9 Å²	74.9	69%	0.686	47%	0.468	S	S	*	.	S	Bend	trans	-66.9	-17.3	180	-78.8	169.1	0	0	0	114.5	H549	H549-L552 HydrophobicContact CB-CD1 4.46Å
553	H	53.9	Low	61.7	Low	64 Å²	64	71.9 Å²	71.9	30%	0.296	44%	0.437	S	S	.	.	S	Bend	trans	-130.6	7.6	-176	-56.3	-64.2	0	0	0	114	T525 G551	T525-H553 HydrophobicContact CG2-CB 4.4Å; T525-H553 WeakPolarHBondContact CG2-O 3.01Å; G551-H553 PolarHBondContact O-N 3.39Å
554	Q	62	Low	64	Low	52 Å²	52	67 Å²	67	24%	0.243	42%	0.418	C	S	.	.	S	Bend	trans	-115.5	127.6	177.9	-179.6	168.8	20.7	0	0	108.3	D446 D526	D446-Q554 PolarHBondContact OD1-NE2 3.17Å; D446-Q554 PolarHBondContact OD2-NE2 3.21Å; D526-Q554 WeakPolarHBondContact OD2-CA 3.27Å
555	R	73	Confident	67	Low	64 Å²	64	57.2 Å²	57.2	24%	0.242	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-63.2	147.1	169.1	68.2	166	-180	81.3	-2.5	108.7	S557 E561	R555-S557 PolarHBondContact O-N 2.93Å; R555-E561 IonicContact CZ-OE1 2.8Å; R555-E561 IonicContact CZ-OE2 3.79Å; R555-E561 IonicContact NH1-OE1 3.55Å; R555-E561 PolarHBondContact NH1-OE1 3.39Å; R555-E561 IonicContact NH1-OE2 3.5Å; R555-E561 PolarHBondContact NH1-OE2 3.48Å; R555-E561 IonicContact NH2-OE1 3.65Å; R555-E561 PolarHBondContact NH2-OE1 3.16Å; R555-E561 IonicContact NH2-OE2 3.42Å; R555-E561 PolarHBondContact NH2-OE2 3.46Å
556	A	79.2	Confident	70.3	Confident	89 Å²	89	53 Å²	53	74%	0.736	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-55.7	133.3	172.6	0	0	0	0	0	110.1
557	S	88.1	Confident	73.7	Confident	27 Å²	27	49.4 Å²	49.4	19%	0.189	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-66.1	143.1	172.5	-56	0	0	0	0	110.1	S445 S447 R555 E561	S445-S557 WeakPolarHBondContact O-CB 3.48Å; S445-S557 PolarHBondContact O-OG 3.07Å; S447-S557 PolarHBondContact N-OG 3.4Å; R555-S557 PolarHBondContact O-N 2.93Å; S557-E561 WeakPolarHBondContact CA-OE2 3.37Å
558	E	91.2	Very high	76.9	Confident	20 Å²	20	48.2 Å²	48.2	9%	0.093	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-82.6	152.5	172.1	-59.5	-161.2	151.8	0	0	111	Q489 S493 H494 W560 E561 E562	Q489-E558 PolarHBondContact NE2-OE2 3.26Å; S493-E558 WeakPolarHBondContact CA-OE2 3.47Å; S493-E558 WeakPolarHBondContact CB-OE2 3.32Å; S493-E558 PolarHBondContact OG-OE2 2.91Å; H494-E558 WeakPolarHBondContact CA-OE1 3.17Å; H494-E558 WeakPolarHBondContact CB-OE1 3.25Å; H494-E558 PolarHBondContact N-OE1 3.16Å; E558-W560 PolarHBondContact O-N 3.26Å; E558-W560 VanDerWaalsContact O-N 3.1Å; E558-W560 PolarHBondContact OE2-NE1 3.45Å; E558-E561 HydrophobicContact CB-CG 4.19Å; E558-E561 PolarHBondContact N-OE2 3.13Å; E558-E561 WeakPolarHBondContact O-CA 3.44Å; E558-E561 WeakPolarHBondContact O-CB 3.26Å; E558-E561 PolarHBondContact O-N 3.23Å; E558-E562 PolarHBondContact O-N 2.93Å; E558-E562 VanDerWaalsContact O-N 3.12Å
559	P	94.9	Very high	80.1	Confident	36 Å²	36	43.3 Å²	43.3	23%	0.234	24%	0.238	C	C	.	.	H	α-helix	trans	-49.6	-37.6	176.9	-29.4	32.5	0	0	0	115	Q489 E561 E562 A563	Q489-P559 HydrophobicContact CB-CB 4.36Å; P559-E561 VanDerWaalsContact C-N 3.31Å; P559-E561 PolarHBondContact O-N 3Å; P559-E562 PolarHBondContact O-N 3.4Å; P559-A563 WeakPolarHBondContact O-CB 3.18Å; P559-A563 PolarHBondContact O-N 3.41Å
560	W	95.1	Very high	83.3	Confident	16 Å²	16	35.5 Å²	35.5	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-29.2	176.5	79.2	-88.5	0	0	0	113.2	L486 Q489 E558 D564 Y598 H600 F604	L486-W560 HydrophobicContact CD2-CB 4.26Å; Q489-W560 HydrophobicContact CG-CB 4.34Å; E558-W560 PolarHBondContact O-N 3.26Å; E558-W560 VanDerWaalsContact O-N 3.1Å; E558-W560 PolarHBondContact OE2-NE1 3.45Å; W560-D564 VanDerWaalsContact O-CB 3.31Å; W560-D564 WeakPolarHBondContact O-CB 3.23Å; W560-D564 PolarHBondContact O-N 3.35Å; W560-Y598 HydrophobicContact CB-CD2 4.17Å; W560-Y598 HydrophobicContact CB-CE2 3.48Å; W560-Y598 VanDerWaalsContact CB-CE2 3.48Å; W560-Y598 HydrophobicContact CD2-CE2 4.14Å; W560-Y598 HydrophobicContact CG-CD2 4.12Å; W560-Y598 AromaticContact CG-CE2 3.64Å; W560-Y598 HydrophobicContact CG-CE2 3.64Å; W560-H600 HydrophobicContact CD2-CB 4.21Å; W560-H600 HydrophobicContact CH2-CB 4.17Å; W560-H600 HydrophobicContact CZ2-CB 3.65Å; W560-H600 AromaticContact CZ2-CG 3.99Å; W560-F604 HydrophobicContact CE3-CB 4.43Å
561	E	94.8	Very high	85.8	Confident	7 Å²	7	30.8 Å²	30.8	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-74.9	-40.9	177.3	-58.9	179.7	137.8	0	0	110.7	R452 R555 S557 E558 P559 A563 D564 G565	R452-E561 WeakPolarHBondContact CD-O 3.22Å; R452-E561 PolarHBondContact NE-O 2.98Å; R555-E561 IonicContact CZ-OE1 2.8Å; R555-E561 IonicContact CZ-OE2 3.79Å; R555-E561 IonicContact NH1-OE1 3.55Å; R555-E561 PolarHBondContact NH1-OE1 3.39Å; R555-E561 IonicContact NH1-OE2 3.5Å; R555-E561 PolarHBondContact NH1-OE2 3.48Å; R555-E561 IonicContact NH2-OE1 3.65Å; R555-E561 PolarHBondContact NH2-OE1 3.16Å; R555-E561 IonicContact NH2-OE2 3.42Å; R555-E561 PolarHBondContact NH2-OE2 3.46Å; S557-E561 WeakPolarHBondContact CA-OE2 3.37Å; E558-E561 HydrophobicContact CB-CG 4.19Å; E558-E561 PolarHBondContact N-OE2 3.13Å; E558-E561 WeakPolarHBondContact O-CA 3.44Å; E558-E561 WeakPolarHBondContact O-CB 3.26Å; E558-E561 PolarHBondContact O-N 3.23Å; P559-E561 VanDerWaalsContact C-N 3.31Å; P559-E561 PolarHBondContact O-N 3Å; E561-A563 VanDerWaalsContact C-N 3.27Å; E561-A563 PolarHBondContact O-N 2.88Å; E561-D564 WeakPolarHBondContact O-CB 3.25Å; E561-D564 PolarHBondContact O-N 3.47Å; E561-G565 PolarHBondContact O-N 3.42Å; E561-G565 VanDerWaalsContact O-N 3.13Å
562	E	96.5	Very high	88.3	Confident	51 Å²	51	29.5 Å²	29.5	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-41.6	172.5	-56.8	-170.8	-170.7	0	0	111	K482 E558 P559 G565 A566	K482-E562 HydrophobicContact CB-CB 4.3Å; K482-E562 HydrophobicContact CD-CB 4.12Å; K482-E562 WeakPolarHBondContact CD-OE2 3.2Å; K482-E562 WeakPolarHBondContact CE-OE2 3.47Å; K482-E562 HydrophobicContact CG-CB 4.18Å; K482-E562 IonicContact NZ-OE2 2.98Å; K482-E562 PolarHBondContact NZ-OE2 2.76Å; E558-E562 PolarHBondContact O-N 2.93Å; E558-E562 VanDerWaalsContact O-N 3.12Å; P559-E562 PolarHBondContact O-N 3.4Å; E562-G565 PolarHBondContact O-N 2.87Å; E562-A566 PolarHBondContact O-N 3.16Å
563	A	97.6	Very high	90.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.4	-34.9	177.5	0	0	0	0	0	113.6	I483 L486 P559 E561 G565 A566 I567 F604	I483-A563 HydrophobicContact CD1-CB 4.13Å; L486-A563 HydrophobicContact CD1-CB 3.14Å; L486-A563 HydrophobicContact CD2-CB 4.32Å; L486-A563 HydrophobicContact CG-CB 3.65Å; P559-A563 WeakPolarHBondContact O-CB 3.18Å; P559-A563 PolarHBondContact O-N 3.41Å; E561-A563 VanDerWaalsContact C-N 3.27Å; E561-A563 PolarHBondContact O-N 2.88Å; A563-G565 VanDerWaalsContact C-N 3.26Å; A563-G565 PolarHBondContact O-N 2.92Å; A563-A566 WeakPolarHBondContact O-CB 3.4Å; A563-A566 PolarHBondContact O-N 3.22Å; A563-A566 VanDerWaalsContact O-N 3.09Å; A563-I567 PolarHBondContact O-N 3.15Å; A563-F604 HydrophobicContact CB-CE2 3.81Å
564	D	97.5	Very high	92.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.011	11%	0.111	C	C	.	.	H	α-helix	trans	-57.4	-43.1	172.8	179.4	85.7	0	0	0	110.5	R452 W560 E561 I567 R568 F604 T607	R452-D564 IonicContact CZ-OD2 2.76Å; R452-D564 VanDerWaalsContact CZ-OD2 3.26Å; R452-D564 IonicContact NE-OD2 2.84Å; R452-D564 PolarHBondContact NE-OD2 3.19Å; R452-D564 IonicContact NH2-OD2 3.94Å; R452-D564 PolarHBondContact NH2-OD2 2.92Å; W560-D564 VanDerWaalsContact O-CB 3.31Å; W560-D564 WeakPolarHBondContact O-CB 3.23Å; W560-D564 PolarHBondContact O-N 3.35Å; E561-D564 WeakPolarHBondContact O-CB 3.25Å; E561-D564 PolarHBondContact O-N 3.47Å; D564-I567 WeakPolarHBondContact O-CG1 3.36Å; D564-I567 PolarHBondContact O-N 3.1Å; D564-R568 VanDerWaalsContact O-CG 3.3Å; D564-R568 WeakPolarHBondContact O-CG 3.4Å; D564-R568 PolarHBondContact O-N 3.36Å; D564-R568 VanDerWaalsContact O-N 3.13Å; D564-R568 IonicContact OD1-NH2 3.94Å; D564-R568 IonicContact OD2-CZ 2.87Å; D564-R568 IonicContact OD2-NE 2.6Å; D564-R568 PolarHBondContact OD2-NE 2.8Å; D564-R568 IonicContact OD2-NH2 3.6Å; D564-F604 HydrophobicContact CB-CD2 4.19Å; D564-T607 WeakPolarHBondContact OD1-CB 3.17Å; D564-T607 WeakPolarHBondContact OD1-CG2 3.28Å; D564-T607 PolarHBondContact OD1-OG1 3.05Å
565	G	97.9	Very high	94.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-44.6	170.9	0	0	0	0	0	113.7	L444 E561 E562 A563 I567 R568 L569	L444-G565 VanDerWaalsContact CD1-O 3.29Å; L444-G565 WeakPolarHBondContact CD1-O 3.45Å; L444-G565 VanDerWaalsContact O-CA 3.26Å; L444-G565 WeakPolarHBondContact O-CA 3.28Å; E561-G565 PolarHBondContact O-N 3.42Å; E561-G565 VanDerWaalsContact O-N 3.13Å; E562-G565 PolarHBondContact O-N 2.87Å; A563-G565 VanDerWaalsContact C-N 3.26Å; A563-G565 PolarHBondContact O-N 2.92Å; G565-I567 PolarHBondContact O-N 3.4Å; G565-R568 WeakPolarHBondContact O-CB 3.02Å; G565-R568 PolarHBondContact O-N 3.15Å; G565-L569 PolarHBondContact O-N 3.31Å; G565-L569 VanDerWaalsContact O-N 3.1Å
566	A	98.3	Very high	95.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-44.9	177.9	0	0	0	0	0	112.5	I479 K482 I483 E562 A563 R568 L569 I570	I479-A566 HydrophobicContact CB-CB 4.36Å; I479-A566 HydrophobicContact CG1-CB 4.26Å; I479-A566 HydrophobicContact CG2-CB 4.28Å; K482-A566 HydrophobicContact CB-CB 4.1Å; I483-A566 HydrophobicContact CD1-CB 4.36Å; I483-A566 HydrophobicContact CG1-CB 4.24Å; E562-A566 PolarHBondContact O-N 3.16Å; A563-A566 WeakPolarHBondContact O-CB 3.4Å; A563-A566 PolarHBondContact O-N 3.22Å; A563-A566 VanDerWaalsContact O-N 3.09Å; A566-R568 PolarHBondContact O-N 2.92Å; A566-L569 WeakPolarHBondContact O-CB 3.24Å; A566-L569 PolarHBondContact O-N 3.45Å; A566-I570 PolarHBondContact O-N 3.37Å; A566-I570 VanDerWaalsContact O-N 3.11Å
567	I	98.2	Very high	96	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.1	-32.5	178	63.5	167.6	0	0	0	112.8	I483 A563 D564 G565 L569 I570 G571 L589 F604 T607 A608 V611	I483-I567 HydrophobicContact CD1-CG2 3.55Å; A563-I567 PolarHBondContact O-N 3.15Å; D564-I567 WeakPolarHBondContact O-CG1 3.36Å; D564-I567 PolarHBondContact O-N 3.1Å; G565-I567 PolarHBondContact O-N 3.4Å; I567-L569 VanDerWaalsContact C-N 3.27Å; I567-L569 PolarHBondContact O-N 2.91Å; I567-I570 HydrophobicContact CG2-CD1 4.37Å; I567-I570 WeakPolarHBondContact O-CB 3.47Å; I567-I570 PolarHBondContact O-N 3.19Å; I567-I570 VanDerWaalsContact O-N 3.16Å; I567-G571 PolarHBondContact O-N 3.17Å; I567-L589 HydrophobicContact CB-CD1 3.92Å; I567-L589 HydrophobicContact CD1-CD1 4.32Å; I567-L589 HydrophobicContact CG2-CD1 3.77Å; I567-F604 HydrophobicContact CD1-CD1 4.37Å; I567-F604 HydrophobicContact CD1-CD2 4.24Å; I567-F604 HydrophobicContact CD1-CE1 3.98Å; I567-F604 HydrophobicContact CD1-CE2 3.85Å; I567-F604 HydrophobicContact CD1-CG 4.49Å; I567-F604 HydrophobicContact CD1-CZ 3.71Å; I567-F604 HydrophobicContact CG1-CE2 4.26Å; I567-F604 HydrophobicContact CG1-CZ 4.31Å; I567-F604 HydrophobicContact CG2-CE2 4.26Å; I567-F604 HydrophobicContact CG2-CZ 3.75Å; I567-T607 HydrophobicContact CD1-CG2 3.57Å; I567-T607 HydrophobicContact CG1-CG2 3.79Å; I567-A608 HydrophobicContact CD1-CB 4.21Å; I567-V611 VanDerWaalsContact O-CG2 3.26Å; I567-V611 WeakPolarHBondContact O-CG2 3.43Å
568	R	98.2	Very high	96.2	Very high	40 Å²	40	18.4 Å²	18.4	15%	0.151	9%	0.093	C	C	.	.	H	α-helix	trans	-59.4	-41.7	171.5	-71.1	170.3	-176.8	-75.3	-8.4	110.8	D453 A456 D564 G565 A566 G571 Q572 T607	D453-R568 IonicContact OD1-NH1 2.94Å; A456-R568 HydrophobicContact CB-CB 3.81Å; D564-R568 VanDerWaalsContact O-CG 3.3Å; D564-R568 WeakPolarHBondContact O-CG 3.4Å; D564-R568 PolarHBondContact O-N 3.36Å; D564-R568 VanDerWaalsContact O-N 3.13Å; D564-R568 IonicContact OD1-NH2 3.94Å; D564-R568 IonicContact OD2-CZ 2.87Å; D564-R568 IonicContact OD2-NE 2.6Å; D564-R568 PolarHBondContact OD2-NE 2.8Å; D564-R568 IonicContact OD2-NH2 3.6Å; G565-R568 WeakPolarHBondContact O-CB 3.02Å; G565-R568 PolarHBondContact O-N 3.15Å; A566-R568 PolarHBondContact O-N 2.92Å; R568-G571 PolarHBondContact O-N 3.3Å; R568-Q572 WeakPolarHBondContact O-CG 3.38Å; R568-Q572 PolarHBondContact O-N 3.06Å; R568-T607 HydrophobicContact CG-CG2 3.56Å; R568-T607 PolarHBondContact NH2-OG1 3.25Å
569	L	98.1	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.4	-37.3	175.8	-176.1	56.7	0	0	0	112.2	L444 A456 I459 Y475 I479 G565 A566 I567 G571 Q572 I573	L444-L569 HydrophobicContact CD1-CB 4.3Å; L444-L569 HydrophobicContact CD2-CB 4.23Å; L444-L569 HydrophobicContact CD2-CD2 3.81Å; A456-L569 HydrophobicContact CB-CB 4.35Å; I459-L569 HydrophobicContact CB-CD1 3.99Å; I459-L569 HydrophobicContact CD1-CD2 4.29Å; I459-L569 HydrophobicContact CG2-CD1 3.65Å; I459-L569 HydrophobicContact CG2-CD2 4.09Å; Y475-L569 HydrophobicContact CD1-CD2 4.17Å; Y475-L569 HydrophobicContact CG-CD2 4.39Å; I479-L569 HydrophobicContact CD1-CB 4.3Å; I479-L569 HydrophobicContact CD1-CD2 3.95Å; I479-L569 HydrophobicContact CD1-CG 4.01Å; I479-L569 HydrophobicContact CG1-CD2 4.17Å; G565-L569 PolarHBondContact O-N 3.31Å; G565-L569 VanDerWaalsContact O-N 3.1Å; A566-L569 WeakPolarHBondContact O-CB 3.24Å; A566-L569 PolarHBondContact O-N 3.45Å; I567-L569 VanDerWaalsContact C-N 3.27Å; I567-L569 PolarHBondContact O-N 2.91Å; L569-G571 VanDerWaalsContact C-N 3.3Å; L569-G571 PolarHBondContact O-N 3.46Å; L569-Q572 PolarHBondContact O-N 2.77Å; L569-I573 HydrophobicContact CD1-CD1 4.36Å; L569-I573 HydrophobicContact CD1-CG1 4.25Å; L569-I573 HydrophobicContact CG-CD1 3.99Å; L569-I573 HydrophobicContact CG-CG1 4.38Å; L569-I573 WeakPolarHBondContact O-CB 3.41Å; L569-I573 VanDerWaalsContact O-CG1 3.29Å; L569-I573 WeakPolarHBondContact O-CG1 3.45Å; L569-I573 PolarHBondContact O-N 3.4Å
570	I	98	Very high	96.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-46.2	171.3	-62.5	172.2	0	0	0	110.6	I479 A566 I567 Q572 I573 S574 L585 Q588 L589 V611	I479-I570 HydrophobicContact CD1-CG1 4.08Å; I479-I570 HydrophobicContact CG2-CD1 3.79Å; I479-I570 HydrophobicContact CG2-CG1 3.9Å; A566-I570 PolarHBondContact O-N 3.37Å; A566-I570 VanDerWaalsContact O-N 3.11Å; I567-I570 HydrophobicContact CG2-CD1 4.37Å; I567-I570 WeakPolarHBondContact O-CB 3.47Å; I567-I570 PolarHBondContact O-N 3.19Å; I567-I570 VanDerWaalsContact O-N 3.16Å; I570-Q572 PolarHBondContact O-N 2.74Å; I570-I573 PolarHBondContact O-N 3.48Å; I570-S574 PolarHBondContact O-N 3.21Å; I570-L585 HydrophobicContact CG1-CD2 4.39Å; I570-L585 HydrophobicContact CG2-CB 4.44Å; I570-Q588 HydrophobicContact CD1-CB 4.45Å; I570-L589 HydrophobicContact CD1-CB 4.21Å; I570-V611 HydrophobicContact CG2-CG1 4.47Å
571	G	97.3	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.8	-50.1	175.1	0	0	0	0	0	112.4	I567 R568 L569 I573 S574 N575 Q614	I567-G571 PolarHBondContact O-N 3.17Å; R568-G571 PolarHBondContact O-N 3.3Å; L569-G571 VanDerWaalsContact C-N 3.3Å; L569-G571 PolarHBondContact O-N 3.46Å; G571-I573 PolarHBondContact O-N 2.89Å; G571-S574 WeakPolarHBondContact O-CB 3.36Å; G571-S574 PolarHBondContact O-N 3.42Å; G571-S574 VanDerWaalsContact O-N 3.15Å; G571-S574 PolarHBondContact O-OG 3.46Å; G571-N575 PolarHBondContact O-N 3.26Å; G571-N575 VanDerWaalsContact O-N 3.14Å; G571-Q614 PolarHBondContact O-OE1 3.31Å
572	Q	97.4	Very high	96	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.093	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-38.6	178.8	-61.7	-56.6	-32.1	0	0	113.1	A456 K457 A460 R568 L569 I570 S574 N575 M576	A456-Q572 HydrophobicContact CB-CG 4Å; K457-Q572 HydrophobicContact CG-CG 4.31Å; A460-Q572 HydrophobicContact CB-CB 3.57Å; R568-Q572 WeakPolarHBondContact O-CG 3.38Å; R568-Q572 PolarHBondContact O-N 3.06Å; L569-Q572 PolarHBondContact O-N 2.77Å; I570-Q572 PolarHBondContact O-N 2.74Å; Q572-S574 VanDerWaalsContact C-N 3.32Å; Q572-S574 PolarHBondContact O-N 2.88Å; Q572-N575 PolarHBondContact O-N 2.91Å; Q572-M576 PolarHBondContact O-N 3.36Å
573	I	96.5	Very high	96	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-42.6	173	-70.3	167.9	0	0	0	110.2	F472 I476 I479 L569 I570 G571 N575 M576 F577 A581 L585	F472-I573 HydrophobicContact CZ-CG2 4.13Å; I476-I573 HydrophobicContact CD1-CD1 4.06Å; I479-I573 HydrophobicContact CD1-CD1 3.96Å; L569-I573 HydrophobicContact CD1-CD1 4.36Å; L569-I573 HydrophobicContact CD1-CG1 4.25Å; L569-I573 HydrophobicContact CG-CD1 3.99Å; L569-I573 HydrophobicContact CG-CG1 4.38Å; L569-I573 WeakPolarHBondContact O-CB 3.41Å; L569-I573 VanDerWaalsContact O-CG1 3.29Å; L569-I573 WeakPolarHBondContact O-CG1 3.45Å; L569-I573 PolarHBondContact O-N 3.4Å; I570-I573 PolarHBondContact O-N 3.48Å; G571-I573 PolarHBondContact O-N 2.89Å; I573-N575 VanDerWaalsContact C-N 3.28Å; I573-N575 PolarHBondContact O-N 2.88Å; I573-M576 PolarHBondContact O-N 3.47Å; I573-F577 HydrophobicContact CG2-CB 4.5Å; I573-F577 CarbonylContact O-C 3.51Å; I573-F577 VanDerWaalsContact O-CA 3.28Å; I573-F577 WeakPolarHBondContact O-CA 3.17Å; I573-F577 PolarHBondContact O-N 3.27Å; I573-A581 HydrophobicContact CG2-CB 4.34Å; I573-L585 HydrophobicContact CG2-CD1 4.42Å
574	S	96.1	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-35	178.3	82	0	0	0	0	113.2	I570 G571 Q572 P578 L615 H618	I570-S574 PolarHBondContact O-N 3.21Å; G571-S574 WeakPolarHBondContact O-CB 3.36Å; G571-S574 PolarHBondContact O-N 3.42Å; G571-S574 VanDerWaalsContact O-N 3.15Å; G571-S574 PolarHBondContact O-OG 3.46Å; Q572-S574 VanDerWaalsContact C-N 3.32Å; Q572-S574 PolarHBondContact O-N 2.88Å; S574-P578 WeakPolarHBondContact O-CA 3.47Å; S574-P578 WeakPolarHBondContact O-CG 3.07Å; S574-L615 VanDerWaalsContact CB-CD2 3.43Å; S574-H618 WeakPolarHBondContact O-CB 3.44Å
575	N	95.6	Very high	95.8	Very high	69 Å²	69	32.6 Å²	32.6	37%	0.369	17%	0.167	S	C	.	.	H	α-helix	trans	-71.7	-48.9	176.9	176.4	23.6	0	0	0	111.9	G571 Q572 I573 H618	G571-N575 PolarHBondContact O-N 3.26Å; G571-N575 VanDerWaalsContact O-N 3.14Å; Q572-N575 PolarHBondContact O-N 2.91Å; I573-N575 VanDerWaalsContact C-N 3.28Å; I573-N575 PolarHBondContact O-N 2.88Å; N575-H618 PolarHBondContact OD1-CE1 3.13Å; N575-H618 PolarHBondContact OD1-NE2 2.79Å
576	M	94.1	Very high	95.8	Very high	49 Å²	49	32.7 Å²	32.7	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-87.8	-27.6	-171.8	-59.9	-172.3	73.5	0	0	113.5	A460 K464 Q572 I573	A460-M576 HydrophobicContact CB-CG 4.37Å; A460-M576 HydrophobicContact CB-SD 3.38Å; A460-M576 WeakPolarHBondContact CB-SD 3.36Å; A460-M576 WeakPolarHBondContact O-CE 3.28Å; K464-M576 HydrophobicContact CB-CE 3.62Å; K464-M576 HydrophobicContact CD-CE 3.21Å; K464-M576 HydrophobicContact CG-CE 4.04Å; Q572-M576 PolarHBondContact O-N 3.36Å; I573-M576 PolarHBondContact O-N 3.47Å
577	F	94.1	Very high	95.7	Very high	31 Å²	31	37 Å²	37	14%	0.136	19%	0.188	C	C	.	.			trans	-138.2	66.7	-179.2	-45.2	-80.8	0	0	0	111.5	L463 K464 F472 I573 N579 R580 A581	L463-F577 HydrophobicContact CB-CE2 3.98Å; L463-F577 HydrophobicContact CB-CZ 3.97Å; K464-F577 HydrophobicContact CB-CE1 4.21Å; K464-F577 HydrophobicContact CB-CZ 3.7Å; K464-F577 HydrophobicContact CG-CZ 4.47Å; F472-F577 HydrophobicContact CE2-CD2 4.12Å; F472-F577 HydrophobicContact CE2-CE2 4.4Å; F472-F577 HydrophobicContact CE2-CG 4.46Å; I573-F577 HydrophobicContact CG2-CB 4.5Å; I573-F577 CarbonylContact O-C 3.51Å; I573-F577 VanDerWaalsContact O-CA 3.28Å; I573-F577 WeakPolarHBondContact O-CA 3.17Å; I573-F577 PolarHBondContact O-N 3.27Å; F577-N579 PolarHBondContact O-N 2.96Å; F577-R580 HydrophobicContact CB-CB 3.86Å; F577-R580 HydrophobicContact CB-CG 4.06Å; F577-R580 PolarHBondContact O-N 3.25Å; F577-A581 PolarHBondContact O-N 3.2Å
578	P	93.2	Very high	95.6	Very high	44 Å²	44	38.6 Å²	38.6	29%	0.286	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-34.1	-177.4	-25.4	30.8	0	0	0	114.4	S574 R580 H618 R623	S574-P578 WeakPolarHBondContact O-CA 3.47Å; S574-P578 WeakPolarHBondContact O-CG 3.07Å; P578-R580 VanDerWaalsContact C-N 3.33Å; P578-R580 PolarHBondContact O-N 2.92Å; P578-H618 HydrophobicContact CG-CB 4.49Å; P578-R623 PolarHBondContact O-NH1 2.91Å
579	N	92.4	Very high	95.6	Very high	141 Å²	141	36.7 Å²	36.7	75%	0.754	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.7	178.8	-62.8	-16.5	0	0	0	113.8	F577	F577-N579 PolarHBondContact O-N 2.96Å
580	R	92.8	Very high	95.6	Very high	76 Å²	76	37.6 Å²	37.6	29%	0.287	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.2	178.8	-59.8	-170.7	-176.3	-173.3	3.9	113.3	D467 F472 F577 P578 T582	D467-R580 IonicContact OD1-NH2 2.76Å; F472-R580 HydrophobicContact CE1-CB 4.18Å; F472-R580 HydrophobicContact CE2-CB 4.45Å; F472-R580 HydrophobicContact CZ-CB 3.65Å; F472-R580 HydrophobicContact CZ-CG 4.24Å; F577-R580 HydrophobicContact CB-CB 3.86Å; F577-R580 HydrophobicContact CB-CG 4.06Å; F577-R580 PolarHBondContact O-N 3.25Å; P578-R580 VanDerWaalsContact C-N 3.33Å; P578-R580 PolarHBondContact O-N 2.92Å; R580-T582 PolarHBondContact O-N 2.77Å
581	A	92.3	Very high	95.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.206	C	C	.	.	S	Bend	trans	-72.2	75.1	168.2	0	0	0	0	0	109	I573 F577 L619 R623	I573-A581 HydrophobicContact CG2-CB 4.34Å; F577-A581 PolarHBondContact O-N 3.2Å; A581-L619 HydrophobicContact CB-CD2 4.05Å; A581-R623 PolarHBondContact O-NH1 3.25Å; A581-R623 PolarHBondContact O-NH2 2.79Å
582	T	94.3	Very high	95.5	Very high	55 Å²	55	40.6 Å²	40.6	34%	0.337	21%	0.206	S	C	.	.			trans	-64.8	165.6	-171.6	59.6	0	0	0	0	113.3	R580 D584 L585 I586 R623	R580-T582 PolarHBondContact O-N 2.77Å; T582-D584 PolarHBondContact O-N 2.8Å; T582-L585 PolarHBondContact O-N 3.4Å; T582-L585 VanDerWaalsContact O-N 3.17Å; T582-L585 PolarHBondContact OG1-N 2.94Å; T582-I586 PolarHBondContact O-N 3.42Å; T582-R623 PolarHBondContact O-NH2 3.2Å
583	D	95.7	Very high	95.5	Very high	46 Å²	46	39.9 Å²	39.9	25%	0.246	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-35.8	177.6	-79.4	10.2	0	0	0	109.7	L585 I586 E587 R623 K626 Y627	D583-L585 VanDerWaalsContact C-N 3.33Å; D583-L585 PolarHBondContact O-N 3.27Å; D583-I586 PolarHBondContact O-N 3.36Å; D583-I586 VanDerWaalsContact O-N 3.16Å; D583-E587 WeakPolarHBondContact O-CB 3.37Å; D583-E587 WeakPolarHBondContact O-CG 3.02Å; D583-E587 PolarHBondContact O-N 3.27Å; D583-R623 IonicContact OD1-CZ 3.74Å; D583-R623 IonicContact OD1-NE 3.33Å; D583-R623 PolarHBondContact OD1-NE 3.31Å; D583-R623 IonicContact OD1-NH2 2.9Å; D583-R623 PolarHBondContact OD1-NH2 3.34Å; D583-K626 IonicContact OD2-NZ 2.77Å; D583-K626 PolarHBondContact OD2-NZ 2.73Å; D583-Y627 VanDerWaalsContact CB-OH 3.24Å; D583-Y627 WeakPolarHBondContact CB-OH 3.38Å
584	D	95.6	Very high	95.4	Very high	108 Å²	108	46.5 Å²	46.5	58%	0.578	23%	0.234	S	C	*	.	H	α-helix	trans	-56.6	-43.1	172	-53.2	-45.2	0	0	0	112.3	T582 E587 Q588	T582-D584 PolarHBondContact O-N 2.8Å; D584-E587 PolarHBondContact O-N 3.47Å; D584-Q588 WeakPolarHBondContact O-CG 3.39Å; D584-Q588 PolarHBondContact O-N 3.13Å
585	L	95.9	Very high	95.3	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-38.3	177.6	-73.6	177.5	0	0	0	112.4	I476 I479 I570 I573 T582 D583 E587 Q588 L589	I476-L585 HydrophobicContact CD1-CD1 3.77Å; I476-L585 HydrophobicContact CD1-CD2 3.93Å; I476-L585 HydrophobicContact CD1-CG 4.3Å; I476-L585 HydrophobicContact CG2-CD2 4.41Å; I479-L585 HydrophobicContact CD1-CD2 4.27Å; I479-L585 HydrophobicContact CG2-CD2 4.13Å; I570-L585 HydrophobicContact CG1-CD2 4.39Å; I570-L585 HydrophobicContact CG2-CB 4.44Å; I573-L585 HydrophobicContact CG2-CD1 4.42Å; T582-L585 PolarHBondContact O-N 3.4Å; T582-L585 VanDerWaalsContact O-N 3.17Å; T582-L585 PolarHBondContact OG1-N 2.94Å; D583-L585 VanDerWaalsContact C-N 3.33Å; D583-L585 PolarHBondContact O-N 3.27Å; L585-E587 VanDerWaalsContact C-N 3.28Å; L585-E587 PolarHBondContact O-N 2.93Å; L585-Q588 PolarHBondContact O-N 2.86Å; L585-L589 PolarHBondContact O-N 3.19Å; L585-L589 VanDerWaalsContact O-N 3.09Å
586	I	96.9	Very high	95.2	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-40.1	174.6	-61.2	169	0	0	0	109.5	T582 D583 L589 L590 L619 Y627 F631	T582-I586 PolarHBondContact O-N 3.42Å; D583-I586 PolarHBondContact O-N 3.36Å; D583-I586 VanDerWaalsContact O-N 3.16Å; I586-L589 WeakPolarHBondContact O-CB 3.37Å; I586-L589 PolarHBondContact O-N 2.99Å; I586-L590 HydrophobicContact CG2-CD1 4.21Å; I586-L590 WeakPolarHBondContact O-CG 3.4Å; I586-L590 PolarHBondContact O-N 3.38Å; I586-L619 HydrophobicContact CD1-CD1 3.68Å; I586-Y627 HydrophobicContact CB-CE2 4.31Å; I586-Y627 HydrophobicContact CD1-CD2 4.09Å; I586-Y627 HydrophobicContact CD1-CE2 3.86Å; I586-Y627 HydrophobicContact CG2-CD1 3.86Å; I586-Y627 HydrophobicContact CG2-CD2 3.85Å; I586-Y627 HydrophobicContact CG2-CE1 3.99Å; I586-Y627 HydrophobicContact CG2-CE2 3.99Å; I586-Y627 HydrophobicContact CG2-CG 3.79Å; I586-F631 HydrophobicContact CG2-CE1 4.08Å; I586-F631 HydrophobicContact CG2-CZ 3.78Å
587	E	97.1	Very high	95	Very high	92 Å²	92	53.4 Å²	53.4	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-67.1	-33.7	176.4	-72.6	169.1	-159	0	0	112.4	D583 D584 L585 L590 K591 Y627	D583-E587 WeakPolarHBondContact O-CB 3.37Å; D583-E587 WeakPolarHBondContact O-CG 3.02Å; D583-E587 PolarHBondContact O-N 3.27Å; D584-E587 PolarHBondContact O-N 3.47Å; L585-E587 VanDerWaalsContact C-N 3.28Å; L585-E587 PolarHBondContact O-N 2.93Å; E587-L590 PolarHBondContact O-N 3.21Å; E587-K591 VanDerWaalsContact O-CB 3.26Å; E587-K591 WeakPolarHBondContact O-CB 3.42Å; E587-K591 PolarHBondContact O-N 3.42Å; E587-Y627 HydrophobicContact CG-CE1 4.09Å; E587-Y627 PolarHBondContact OE1-OH 3.29Å
588	Q	97	Very high	94.9	Very high	32 Å²	32	52.1 Å²	52.1	15%	0.15	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-44.9	170.3	-68.6	-55.6	-42.2	0	0	112.3	V480 I483 I570 D584 L585 L590 K591 G592	V480-Q588 HydrophobicContact CG2-CG 4.14Å; I483-Q588 HydrophobicContact CG1-CB 4.44Å; I483-Q588 HydrophobicContact CG2-CB 4.36Å; I483-Q588 WeakPolarHBondContact CG2-O 3.34Å; I570-Q588 HydrophobicContact CD1-CB 4.45Å; D584-Q588 WeakPolarHBondContact O-CG 3.39Å; D584-Q588 PolarHBondContact O-N 3.13Å; L585-Q588 PolarHBondContact O-N 2.86Å; Q588-L590 VanDerWaalsContact C-N 3.33Å; Q588-L590 PolarHBondContact O-N 2.87Å; Q588-K591 PolarHBondContact O-N 3.45Å; Q588-G592 PolarHBondContact O-N 3.36Å
589	L	97.5	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-49.6	174.4	168.5	66.1	0	0	0	110.9	I567 I570 L585 I586 G592 C593 A608 V611 I612 L615	I567-L589 HydrophobicContact CB-CD1 3.92Å; I567-L589 HydrophobicContact CD1-CD1 4.32Å; I567-L589 HydrophobicContact CG2-CD1 3.77Å; I570-L589 HydrophobicContact CD1-CB 4.21Å; L585-L589 PolarHBondContact O-N 3.19Å; L585-L589 VanDerWaalsContact O-N 3.09Å; I586-L589 WeakPolarHBondContact O-CB 3.37Å; I586-L589 PolarHBondContact O-N 2.99Å; L589-G592 PolarHBondContact O-N 2.94Å; L589-C593 PolarHBondContact O-N 2.92Å; L589-C593 PolarHBondContact O-SG 3.24Å; L589-C593 VanDerWaalsContact O-SG 3.38Å; L589-A608 HydrophobicContact CD1-CB 4.09Å; L589-V611 HydrophobicContact CD1-CG1 4.24Å; L589-V611 HydrophobicContact CD2-CB 4.49Å; L589-V611 HydrophobicContact CD2-CG1 3.76Å; L589-I612 HydrophobicContact CD2-CG1 4.13Å; L589-L615 HydrophobicContact CD2-CD1 3.63Å
590	L	97.6	Very high	94.7	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-42.7	-178.9	-67.8	173.7	0	0	0	111.9	I586 E587 Q588 G592 C593 E594 Y627 T630 F631 V634	I586-L590 HydrophobicContact CG2-CD1 4.21Å; I586-L590 WeakPolarHBondContact O-CG 3.4Å; I586-L590 PolarHBondContact O-N 3.38Å; E587-L590 PolarHBondContact O-N 3.21Å; Q588-L590 VanDerWaalsContact C-N 3.33Å; Q588-L590 PolarHBondContact O-N 2.87Å; L590-G592 VanDerWaalsContact C-N 3.29Å; L590-G592 PolarHBondContact O-N 3.17Å; L590-C593 WeakPolarHBondContact O-CB 3.44Å; L590-C593 PolarHBondContact O-N 3.38Å; L590-C593 VanDerWaalsContact O-N 3.09Å; L590-E594 PolarHBondContact O-N 3.25Å; L590-Y627 HydrophobicContact CD1-CD1 3.69Å; L590-Y627 HydrophobicContact CD1-CE1 4.21Å; L590-T630 HydrophobicContact CD1-CG2 3.97Å; L590-T630 HydrophobicContact CD2-CG2 3.76Å; L590-T630 HydrophobicContact CG-CG2 4.37Å; L590-F631 HydrophobicContact CD2-CD1 3.85Å; L590-F631 HydrophobicContact CD2-CE1 3.87Å; L590-F631 HydrophobicContact CG-CE1 4.36Å; L590-V634 HydrophobicContact CD2-CG2 4.08Å
591	K	96.8	Very high	94.8	Very high	65 Å²	65	48.9 Å²	48.9	28%	0.283	24%	0.236	S	C	.	.	H	α-helix	trans	-56.5	-42.3	174.1	-178.8	-178.9	-179.3	179.7	0	111.9	I483 D484 E587 Q588 C593 E594 Y595	I483-K591 HydrophobicContact CG2-CB 4.46Å; I483-K591 HydrophobicContact CG2-CD 4.34Å; I483-K591 HydrophobicContact CG2-CG 4.45Å; D484-K591 IonicContact OD1-NZ 3.63Å; D484-K591 PolarHBondContact OD1-NZ 3.39Å; E587-K591 VanDerWaalsContact O-CB 3.26Å; E587-K591 WeakPolarHBondContact O-CB 3.42Å; E587-K591 PolarHBondContact O-N 3.42Å; Q588-K591 PolarHBondContact O-N 3.45Å; K591-C593 VanDerWaalsContact C-N 3.32Å; K591-C593 PolarHBondContact O-N 3.43Å; K591-E594 WeakPolarHBondContact O-CB 3.35Å; K591-E594 PolarHBondContact O-N 3.21Å; K591-Y595 HydrophobicContact CG-CE2 4.28Å; K591-Y595 VanDerWaalsContact O-CD2 3.29Å; K591-Y595 WeakPolarHBondContact O-CD2 3.39Å
592	G	96.5	Very high	94.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-42.7	175	0	0	0	0	0	112.7	Q588 L589 L590 E594 Y595	Q588-G592 PolarHBondContact O-N 3.36Å; L589-G592 PolarHBondContact O-N 2.94Å; L590-G592 VanDerWaalsContact C-N 3.29Å; L590-G592 PolarHBondContact O-N 3.17Å; G592-E594 PolarHBondContact O-N 3.23Å; G592-Y595 PolarHBondContact O-N 3.09Å
593	C	96.9	Very high	94.9	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-18.3	179.5	-62.9	0	0	0	0	114.3	L589 L590 K591 Y595 L605 A608 V634	L589-C593 PolarHBondContact O-N 2.92Å; L589-C593 PolarHBondContact O-SG 3.24Å; L589-C593 VanDerWaalsContact O-SG 3.38Å; L590-C593 WeakPolarHBondContact O-CB 3.44Å; L590-C593 PolarHBondContact O-N 3.38Å; L590-C593 VanDerWaalsContact O-N 3.09Å; K591-C593 VanDerWaalsContact C-N 3.32Å; K591-C593 PolarHBondContact O-N 3.43Å; C593-Y595 VanDerWaalsContact C-N 3.33Å; C593-L605 HydrophobicContact CB-CD2 4.06Å; C593-A608 VanDerWaalsContact SG-CB 3.52Å; C593-V634 HydrophobicContact CB-CG1 4.35Å; C593-V634 HydrophobicContact CB-CG2 3.95Å
594	E	95.6	Very high	94.9	Very high	140 Å²	140	49.2 Å²	49.2	65%	0.654	23%	0.231	S	C	*	.	H	α-helix	trans	-71.1	-29.9	176.4	-66.2	177.9	178.9	0	0	112.1	L590 K591 G592 R596	L590-E594 PolarHBondContact O-N 3.25Å; K591-E594 WeakPolarHBondContact O-CB 3.35Å; K591-E594 PolarHBondContact O-N 3.21Å; G592-E594 PolarHBondContact O-N 3.23Å; E594-R596 PolarHBondContact O-N 2.87Å
595	Y	94.6	Very high	95	Very high	59 Å²	59	44.2 Å²	44.2	23%	0.231	20%	0.204	C	C	.	.			trans	-74.7	106.2	178.2	-66	-80	0	0	0	110.9	L486 K591 G592 C593 Y598	L486-Y595 HydrophobicContact CB-CD1 4.46Å; L486-Y595 HydrophobicContact CB-CD2 3.7Å; L486-Y595 HydrophobicContact CB-CE2 4.05Å; L486-Y595 HydrophobicContact CB-CG 3.93Å; L486-Y595 HydrophobicContact CD2-CD2 4.5Å; L486-Y595 HydrophobicContact CG-CD2 4.49Å; K591-Y595 HydrophobicContact CG-CE2 4.28Å; K591-Y595 VanDerWaalsContact O-CD2 3.29Å; K591-Y595 WeakPolarHBondContact O-CD2 3.39Å; G592-Y595 PolarHBondContact O-N 3.09Å; C593-Y595 VanDerWaalsContact C-N 3.33Å; Y595-Y598 WeakPolarHBondContact O-CE1 3.49Å
596	R	93.2	Very high	95.1	Very high	131 Å²	131	46.1 Å²	46.1	49%	0.494	21%	0.213	S	C	.	.			trans	-127.8	14.9	-178	-60.8	172.5	-68.3	163.8	-3.1	112.6	E594 Y598 Y601	E594-R596 PolarHBondContact O-N 2.87Å; R596-Y598 VanDerWaalsContact C-N 3.27Å; R596-Y598 PolarHBondContact O-N 3.21Å; R596-Y601 HydrophobicContact CB-CD1 4.48Å; R596-Y601 HydrophobicContact CB-CD2 4.07Å; R596-Y601 HydrophobicContact CB-CE2 4.4Å; R596-Y601 HydrophobicContact CB-CG 4.14Å; R596-Y601 HydrophobicContact CG-CD2 3.88Å; R596-Y601 HydrophobicContact CG-CE2 4.26Å; R596-Y601 HydrophobicContact CG-CG 4.38Å
597	N	89.7	Confident	95.1	Very high	73 Å²	73	46.3 Å²	46.3	39%	0.39	21%	0.214	S	C	.	.			trans	-84	6.9	-172.8	61.1	-68.2	0	0	0	114	Q489 K491	Q489-N597 PolarHBondContact O-ND2 3.36Å; K491-N597 VanDerWaalsContact CA-O 3.29Å; K491-N597 WeakPolarHBondContact CA-O 3.24Å; K491-N597 WeakPolarHBondContact CG-O 3.36Å
598	Y	92.5	Very high	95.2	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.02	19%	0.193	C	C	.	.	S	Bend	trans	-131.9	146	-173.3	62.1	-84.8	0	0	0	112	L486 Q489 P490 K491 W560 Y595 R596 H600 Y601 F604	L486-Y598 HydrophobicContact CD2-CE1 4.05Å; Q489-Y598 HydrophobicContact CB-CD1 4.33Å; Q489-Y598 HydrophobicContact CG-CD1 3.72Å; Q489-Y598 HydrophobicContact CG-CD2 3.93Å; Q489-Y598 HydrophobicContact CG-CE1 4.39Å; Q489-Y598 HydrophobicContact CG-CG 3.48Å; Q489-Y598 VanDerWaalsContact CG-CG 3.48Å; P490-Y598 VanDerWaalsContact O-CB 3.26Å; P490-Y598 WeakPolarHBondContact O-CB 3.38Å; K491-Y598 WeakPolarHBondContact O-CA 3.46Å; W560-Y598 HydrophobicContact CB-CD2 4.17Å; W560-Y598 HydrophobicContact CB-CE2 3.48Å; W560-Y598 VanDerWaalsContact CB-CE2 3.48Å; W560-Y598 HydrophobicContact CD2-CE2 4.14Å; W560-Y598 HydrophobicContact CG-CD2 4.12Å; W560-Y598 AromaticContact CG-CE2 3.64Å; W560-Y598 HydrophobicContact CG-CE2 3.64Å; Y595-Y598 WeakPolarHBondContact O-CE1 3.49Å; R596-Y598 VanDerWaalsContact C-N 3.27Å; R596-Y598 PolarHBondContact O-N 3.21Å; Y598-H600 VanDerWaalsContact C-N 3.27Å; Y598-H600 HydrophobicContact CD2-CB 4.31Å; Y598-H600 HydrophobicContact CE2-CB 4.46Å; Y598-H600 PolarHBondContact O-N 3.18Å; Y598-H600 VanDerWaalsContact O-N 3.11Å; Y598-Y601 VanDerWaalsContact CD2-N 3.32Å; Y598-Y601 VanDerWaalsContact CZ-CA 3.45Å; Y598-Y601 WeakPolarHBondContact O-CB 3.48Å; Y598-Y601 VanDerWaalsContact O-CD1 3.24Å; Y598-Y601 WeakPolarHBondContact O-CD1 3.41Å; Y598-Y601 PolarHBondContact O-N 2.94Å; Y598-Y601 VanDerWaalsContact O-N 3.17Å; Y598-F604 WeakPolarHBondContact OH-CB 3.44Å
599	T	90.2	Very high	95.2	Very high	97 Å²	97	40.4 Å²	40.4	60%	0.595	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.4	-170.6	-51.7	0	0	0	0	114.9	K491 P602	K491-T599 PolarHBondContact O-N 2.81Å; K491-T599 VanDerWaalsContact O-N 3.14Å; K491-T599 PolarHBondContact O-OG1 2.76Å; T599-P602 WeakPolarHBondContact O-CD 3.26Å
600	H	90.9	Very high	95.2	Very high	39 Å²	39	43.6 Å²	43.6	18%	0.181	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6.5	-173.7	-68.2	76.2	0	0	0	114.3	S493 G495 W560 Y598 P602 Y603	S493-H600 WeakPolarHBondContact CB-ND1 3.46Å; S493-H600 PolarHBondContact O-CE1 2.67Å; G495-H600 PolarHBondContact N-CE1 2.88Å; W560-H600 HydrophobicContact CD2-CB 4.21Å; W560-H600 HydrophobicContact CH2-CB 4.17Å; W560-H600 HydrophobicContact CZ2-CB 3.65Å; W560-H600 AromaticContact CZ2-CG 3.99Å; Y598-H600 VanDerWaalsContact C-N 3.27Å; Y598-H600 HydrophobicContact CD2-CB 4.31Å; Y598-H600 HydrophobicContact CE2-CB 4.46Å; Y598-H600 PolarHBondContact O-N 3.18Å; Y598-H600 VanDerWaalsContact O-N 3.11Å; H600-P602 WeakPolarHBondContact O-CD 3.44Å; H600-P602 VanDerWaalsContact O-N 3.08Å; H600-Y603 HydrophobicContact CB-CD2 3.99Å; H600-Y603 AromaticContact CD2-CD2 3.75Å; H600-Y603 AromaticContact CD2-CE2 3.66Å; H600-Y603 PolarHBondContact O-N 3.44Å
601	Y	94.4	Very high	95.2	Very high	56 Å²	56	42.8 Å²	42.8	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-52	-31.6	179	87.6	-92	0	0	0	114.8	R596 Y598 Y603 F604 L605	R596-Y601 HydrophobicContact CB-CD1 4.48Å; R596-Y601 HydrophobicContact CB-CD2 4.07Å; R596-Y601 HydrophobicContact CB-CE2 4.4Å; R596-Y601 HydrophobicContact CB-CG 4.14Å; R596-Y601 HydrophobicContact CG-CD2 3.88Å; R596-Y601 HydrophobicContact CG-CE2 4.26Å; R596-Y601 HydrophobicContact CG-CG 4.38Å; Y598-Y601 VanDerWaalsContact CD2-N 3.32Å; Y598-Y601 VanDerWaalsContact CZ-CA 3.45Å; Y598-Y601 WeakPolarHBondContact O-CB 3.48Å; Y598-Y601 VanDerWaalsContact O-CD1 3.24Å; Y598-Y601 WeakPolarHBondContact O-CD1 3.41Å; Y598-Y601 PolarHBondContact O-N 2.94Å; Y598-Y601 VanDerWaalsContact O-N 3.17Å; Y601-Y603 VanDerWaalsContact C-N 3.27Å; Y601-Y603 PolarHBondContact O-N 2.83Å; Y601-F604 WeakPolarHBondContact O-CB 3.44Å; Y601-F604 PolarHBondContact O-N 3.4Å; Y601-L605 HydrophobicContact CD2-CD1 3.6Å; Y601-L605 HydrophobicContact CD2-CG 4.16Å; Y601-L605 HydrophobicContact CE2-CD1 3.61Å; Y601-L605 WeakPolarHBondContact O-CG 3.39Å; Y601-L605 PolarHBondContact O-N 3.26Å
602	P	94.6	Very high	95.3	Very high	15 Å²	15	39.7 Å²	39.7	10%	0.097	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-30.4	178	-25	38.7	0	0	0	113.5	T599 H600 L605 E606 L643	T599-P602 WeakPolarHBondContact O-CD 3.26Å; H600-P602 WeakPolarHBondContact O-CD 3.44Å; H600-P602 VanDerWaalsContact O-N 3.08Å; P602-L605 PolarHBondContact O-N 3.08Å; P602-E606 PolarHBondContact O-N 3.37Å; P602-L643 HydrophobicContact CB-CB 3.81Å; P602-L643 HydrophobicContact CB-CD2 3.68Å; P602-L643 HydrophobicContact CB-CG 4.35Å
603	Y	94.2	Very high	95.3	Very high	94 Å²	94	40.6 Å²	40.6	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-71.3	-35.1	175.5	-62.6	-73.7	0	0	0	112	H600 Y601 L605 E606 T607 L643	H600-Y603 HydrophobicContact CB-CD2 3.99Å; H600-Y603 AromaticContact CD2-CD2 3.75Å; H600-Y603 AromaticContact CD2-CE2 3.66Å; H600-Y603 PolarHBondContact O-N 3.44Å; Y601-Y603 VanDerWaalsContact C-N 3.27Å; Y601-Y603 PolarHBondContact O-N 2.83Å; Y603-L605 VanDerWaalsContact C-N 3.32Å; Y603-E606 WeakPolarHBondContact O-CB 3.28Å; Y603-E606 PolarHBondContact O-N 2.92Å; Y603-T607 PolarHBondContact O-N 3.44Å; Y603-T607 PolarHBondContact O-OG1 3.18Å; Y603-L643 HydrophobicContact CD1-CD2 3.61Å; Y603-L643 HydrophobicContact CD2-CD2 4.49Å; Y603-L643 HydrophobicContact CE1-CD1 4.17Å; Y603-L643 HydrophobicContact CE1-CD2 3.64Å; Y603-L643 HydrophobicContact CG-CD2 4.06Å
604	F	96.5	Very high	95.3	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-40.3	171.4	-175.3	-85	0	0	0	111	I483 L486 W560 A563 D564 I567 Y598 Y601 T607 A608	I483-F604 HydrophobicContact CD1-CZ 4.41Å; L486-F604 HydrophobicContact CD1-CE2 4.3Å; L486-F604 HydrophobicContact CD1-CZ 4.36Å; L486-F604 HydrophobicContact CD2-CE2 4.43Å; W560-F604 HydrophobicContact CE3-CB 4.43Å; A563-F604 HydrophobicContact CB-CE2 3.81Å; D564-F604 HydrophobicContact CB-CD2 4.19Å; I567-F604 HydrophobicContact CD1-CD1 4.37Å; I567-F604 HydrophobicContact CD1-CD2 4.24Å; I567-F604 HydrophobicContact CD1-CE1 3.98Å; I567-F604 HydrophobicContact CD1-CE2 3.85Å; I567-F604 HydrophobicContact CD1-CG 4.49Å; I567-F604 HydrophobicContact CD1-CZ 3.71Å; I567-F604 HydrophobicContact CG1-CE2 4.26Å; I567-F604 HydrophobicContact CG1-CZ 4.31Å; I567-F604 HydrophobicContact CG2-CE2 4.26Å; I567-F604 HydrophobicContact CG2-CZ 3.75Å; Y598-F604 WeakPolarHBondContact OH-CB 3.44Å; Y601-F604 WeakPolarHBondContact O-CB 3.44Å; Y601-F604 PolarHBondContact O-N 3.4Å; F604-T607 PolarHBondContact O-N 2.99Å; F604-A608 WeakPolarHBondContact O-CB 3.42Å; F604-A608 PolarHBondContact O-N 3.35Å
605	L	97.4	Very high	95.4	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-67.3	-35.6	177	-70.4	-178.1	0	0	0	113.4	C593 Y601 P602 Y603 A608 C609 V634 I637	C593-L605 HydrophobicContact CB-CD2 4.06Å; Y601-L605 HydrophobicContact CD2-CD1 3.6Å; Y601-L605 HydrophobicContact CD2-CG 4.16Å; Y601-L605 HydrophobicContact CE2-CD1 3.61Å; Y601-L605 WeakPolarHBondContact O-CG 3.39Å; Y601-L605 PolarHBondContact O-N 3.26Å; P602-L605 PolarHBondContact O-N 3.08Å; Y603-L605 VanDerWaalsContact C-N 3.32Å; L605-A608 PolarHBondContact O-N 3.48Å; L605-C609 PolarHBondContact O-N 3.19Å; L605-C609 PolarHBondContact O-SG 3.35Å; L605-V634 HydrophobicContact CD2-CG1 4.2Å; L605-I637 HydrophobicContact CD1-CB 4.39Å; L605-I637 HydrophobicContact CD1-CG2 3.6Å
606	E	97	Very high	95.5	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	16%	0.161	C	C	.	.	H	α-helix	trans	-53.5	-55	169.1	177.9	-168.3	169.2	0	0	110.3	P602 Y603 A608 C609 D610 L645 A646 A649	P602-E606 PolarHBondContact O-N 3.37Å; Y603-E606 WeakPolarHBondContact O-CB 3.28Å; Y603-E606 PolarHBondContact O-N 2.92Å; E606-A608 VanDerWaalsContact C-N 3.31Å; E606-A608 PolarHBondContact O-N 3.29Å; E606-C609 WeakPolarHBondContact O-CB 3.44Å; E606-C609 PolarHBondContact O-N 3.38Å; E606-D610 PolarHBondContact O-N 3.29Å; E606-L645 VanDerWaalsContact CD-CB 3.46Å; E606-L645 HydrophobicContact CG-CB 4.2Å; E606-L645 VanDerWaalsContact OE2-CB 3.32Å; E606-L645 WeakPolarHBondContact OE2-CB 3.14Å; E606-A646 HydrophobicContact CB-CB 4.15Å; E606-A649 HydrophobicContact CG-CB 4.06Å
607	T	97.5	Very high	95.6	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-40.7	176.8	-56	0	0	0	0	111.9	D564 I567 R568 Y603 F604 C609 D610 V611	D564-T607 WeakPolarHBondContact OD1-CB 3.17Å; D564-T607 WeakPolarHBondContact OD1-CG2 3.28Å; D564-T607 PolarHBondContact OD1-OG1 3.05Å; I567-T607 HydrophobicContact CD1-CG2 3.57Å; I567-T607 HydrophobicContact CG1-CG2 3.79Å; R568-T607 HydrophobicContact CG-CG2 3.56Å; R568-T607 PolarHBondContact NH2-OG1 3.25Å; Y603-T607 PolarHBondContact O-N 3.44Å; Y603-T607 PolarHBondContact O-OG1 3.18Å; F604-T607 PolarHBondContact O-N 2.99Å; T607-C609 VanDerWaalsContact C-N 3.33Å; T607-C609 PolarHBondContact O-N 3.35Å; T607-D610 PolarHBondContact O-N 3.37Å; T607-V611 HydrophobicContact CG2-CG2 4.44Å; T607-V611 VanDerWaalsContact O-CG2 3.32Å; T607-V611 WeakPolarHBondContact O-CG2 3.26Å; T607-V611 PolarHBondContact O-N 2.77Å
608	A	98.3	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-39.8	178	0	0	0	0	0	112.1	I567 L589 C593 F604 L605 E606 D610 V611 I612 V634	I567-A608 HydrophobicContact CD1-CB 4.21Å; L589-A608 HydrophobicContact CD1-CB 4.09Å; C593-A608 VanDerWaalsContact SG-CB 3.52Å; F604-A608 WeakPolarHBondContact O-CB 3.42Å; F604-A608 PolarHBondContact O-N 3.35Å; L605-A608 PolarHBondContact O-N 3.48Å; E606-A608 VanDerWaalsContact C-N 3.31Å; E606-A608 PolarHBondContact O-N 3.29Å; A608-D610 PolarHBondContact O-N 3.36Å; A608-V611 PolarHBondContact O-N 2.71Å; A608-I612 VanDerWaalsContact O-CG1 3.23Å; A608-I612 WeakPolarHBondContact O-CG1 3.22Å; A608-I612 PolarHBondContact O-N 2.61Å; A608-V634 HydrophobicContact CB-CG1 4.47Å
609	C	98.2	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-43.5	174.8	-70.7	0	0	0	0	111.7	L605 E606 T607 V611 I612 A613 L635 S638 A649	L605-C609 PolarHBondContact O-N 3.19Å; L605-C609 PolarHBondContact O-SG 3.35Å; E606-C609 WeakPolarHBondContact O-CB 3.44Å; E606-C609 PolarHBondContact O-N 3.38Å; T607-C609 VanDerWaalsContact C-N 3.33Å; T607-C609 PolarHBondContact O-N 3.35Å; C609-V611 VanDerWaalsContact C-N 3.35Å; C609-V611 PolarHBondContact O-N 3.17Å; C609-I612 PolarHBondContact O-N 3.16Å; C609-A613 PolarHBondContact O-N 3.28Å; C609-L635 HydrophobicContact CB-CD2 4.44Å; C609-S638 PolarHBondContact SG-OG 2.87Å; C609-A649 HydrophobicContact CB-CB 3.76Å
610	D	97.4	Very high	96.2	Very high	67 Å²	67	34.9 Å²	34.9	36%	0.358	16%	0.162	S	C	.	.	H	α-helix	trans	-63	-40.9	175.6	-75	-20.8	0	0	0	112	E606 T607 A608 A613 Q614	E606-D610 PolarHBondContact O-N 3.29Å; T607-D610 PolarHBondContact O-N 3.37Å; A608-D610 PolarHBondContact O-N 3.36Å; D610-A613 WeakPolarHBondContact O-CB 3.37Å; D610-A613 PolarHBondContact O-N 3.11Å; D610-Q614 WeakPolarHBondContact O-CG 3.34Å; D610-Q614 PolarHBondContact O-N 3.31Å
611	V	97.9	Very high	96.4	Very high	2 Å²	2	38 Å²	38	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-41.3	175.9	174	0	0	0	0	111	I567 I570 L589 T607 A608 C609 A613 Q614 L615	I567-V611 VanDerWaalsContact O-CG2 3.26Å; I567-V611 WeakPolarHBondContact O-CG2 3.43Å; I570-V611 HydrophobicContact CG2-CG1 4.47Å; L589-V611 HydrophobicContact CD1-CG1 4.24Å; L589-V611 HydrophobicContact CD2-CB 4.49Å; L589-V611 HydrophobicContact CD2-CG1 3.76Å; T607-V611 HydrophobicContact CG2-CG2 4.44Å; T607-V611 VanDerWaalsContact O-CG2 3.32Å; T607-V611 WeakPolarHBondContact O-CG2 3.26Å; T607-V611 PolarHBondContact O-N 2.77Å; A608-V611 PolarHBondContact O-N 2.71Å; C609-V611 VanDerWaalsContact C-N 3.35Å; C609-V611 PolarHBondContact O-N 3.17Å; V611-A613 VanDerWaalsContact C-N 3.32Å; V611-A613 PolarHBondContact O-N 3.41Å; V611-Q614 WeakPolarHBondContact O-CB 3.44Å; V611-Q614 PolarHBondContact O-N 3.26Å; V611-L615 HydrophobicContact CG1-CD1 4.16Å; V611-L615 HydrophobicContact CG1-CG 4.44Å; V611-L615 WeakPolarHBondContact O-CG 3.43Å; V611-L615 PolarHBondContact O-N 2.93Å
612	I	98.2	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-39.9	174.8	-67.4	166	0	0	0	110.6	L589 A608 C609 Q614 L615 C616 F624 F631 V634 C653	L589-I612 HydrophobicContact CD2-CG1 4.13Å; A608-I612 VanDerWaalsContact O-CG1 3.23Å; A608-I612 WeakPolarHBondContact O-CG1 3.22Å; A608-I612 PolarHBondContact O-N 2.61Å; C609-I612 PolarHBondContact O-N 3.16Å; I612-Q614 VanDerWaalsContact C-N 3.33Å; I612-Q614 PolarHBondContact O-N 3.12Å; I612-L615 PolarHBondContact O-N 2.74Å; I612-C616 VanDerWaalsContact O-CB 3.28Å; I612-C616 WeakPolarHBondContact O-CB 3.5Å; I612-C616 PolarHBondContact O-N 3.35Å; I612-F624 HydrophobicContact CG2-CE2 4.26Å; I612-F624 HydrophobicContact CG2-CZ 4.19Å; I612-F631 HydrophobicContact CD1-CB 4.34Å; I612-F631 HydrophobicContact CD1-CD1 3.77Å; I612-F631 HydrophobicContact CD1-CE1 4.48Å; I612-F631 HydrophobicContact CD1-CG 4.32Å; I612-F631 HydrophobicContact CG1-CD1 3.78Å; I612-F631 HydrophobicContact CG1-CE1 4.09Å; I612-F631 HydrophobicContact CG1-CG 4.35Å; I612-F631 HydrophobicContact CG2-CB 3.97Å; I612-F631 HydrophobicContact CG2-CD1 4.13Å; I612-F631 HydrophobicContact CG2-CD2 4.14Å; I612-F631 HydrophobicContact CG2-CG 3.84Å; I612-V634 HydrophobicContact CD1-CB 4.06Å; I612-V634 HydrophobicContact CD1-CG1 3.82Å; I612-C653 VanDerWaalsContact CG2-SG 3.59Å
613	A	97.1	Very high	96.4	Very high	19 Å²	19	41.8 Å²	41.8	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-39.7	174.5	0	0	0	0	0	111.8	C609 D610 V611 C616 K617 C653	C609-A613 PolarHBondContact O-N 3.28Å; D610-A613 WeakPolarHBondContact O-CB 3.37Å; D610-A613 PolarHBondContact O-N 3.11Å; V611-A613 VanDerWaalsContact C-N 3.32Å; V611-A613 PolarHBondContact O-N 3.41Å; A613-C616 WeakPolarHBondContact O-CB 3.49Å; A613-C616 PolarHBondContact O-N 3.23Å; A613-K617 PolarHBondContact O-N 3.36Å; A613-C653 HydrophobicContact CB-CB 4.09Å
614	Q	96.5	Very high	96.5	Very high	51 Å²	51	37.3 Å²	37.3	24%	0.238	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-47.5	173.4	-68.2	173.3	33.7	0	0	111.8	G571 D610 V611 I612 C616 K617 H618	G571-Q614 PolarHBondContact O-OE1 3.31Å; D610-Q614 WeakPolarHBondContact O-CG 3.34Å; D610-Q614 PolarHBondContact O-N 3.31Å; V611-Q614 WeakPolarHBondContact O-CB 3.44Å; V611-Q614 PolarHBondContact O-N 3.26Å; I612-Q614 VanDerWaalsContact C-N 3.33Å; I612-Q614 PolarHBondContact O-N 3.12Å; Q614-C616 PolarHBondContact O-N 3.47Å; Q614-K617 WeakPolarHBondContact O-CA 3.29Å; Q614-K617 WeakPolarHBondContact O-CB 3.37Å; Q614-K617 PolarHBondContact O-N 3.24Å; Q614-H618 PolarHBondContact O-CD2 3.49Å; Q614-H618 PolarHBondContact O-N 2.92Å
615	L	97.5	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-40.9	174	-68.1	167.3	0	0	0	110.9	S574 L589 V611 I612 K617 H618 L619 F624 F631	S574-L615 VanDerWaalsContact CB-CD2 3.43Å; L589-L615 HydrophobicContact CD2-CD1 3.63Å; V611-L615 HydrophobicContact CG1-CD1 4.16Å; V611-L615 HydrophobicContact CG1-CG 4.44Å; V611-L615 WeakPolarHBondContact O-CG 3.43Å; V611-L615 PolarHBondContact O-N 2.93Å; I612-L615 PolarHBondContact O-N 2.74Å; L615-K617 PolarHBondContact O-N 3.3Å; L615-H618 PolarHBondContact O-N 2.93Å; L615-L619 HydrophobicContact CB-CD1 4.05Å; L615-L619 HydrophobicContact CB-CG 4.34Å; L615-L619 HydrophobicContact CD2-CD1 3.7Å; L615-L619 HydrophobicContact CD2-CD2 4.45Å; L615-L619 HydrophobicContact CD2-CG 3.97Å; L615-L619 HydrophobicContact CG-CD1 4.43Å; L615-L619 WeakPolarHBondContact O-CB 3.5Å; L615-L619 PolarHBondContact O-N 3.28Å; L615-F624 HydrophobicContact CB-CD2 4.3Å; L615-F624 HydrophobicContact CB-CE2 4.25Å; L615-F631 HydrophobicContact CD1-CZ 4.31Å
616	C	96.5	Very high	96.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-33	175.4	-166.3	0	0	0	0	111.5	I612 A613 Q614 F624 M657 R660	I612-C616 VanDerWaalsContact O-CB 3.28Å; I612-C616 WeakPolarHBondContact O-CB 3.5Å; I612-C616 PolarHBondContact O-N 3.35Å; A613-C616 WeakPolarHBondContact O-CB 3.49Å; A613-C616 PolarHBondContact O-N 3.23Å; Q614-C616 PolarHBondContact O-N 3.47Å; C616-F624 HydrophobicContact CB-CD2 4.15Å; C616-F624 HydrophobicContact CB-CE1 4.33Å; C616-F624 HydrophobicContact CB-CE2 3.49Å; C616-F624 VanDerWaalsContact CB-CE2 3.49Å; C616-F624 HydrophobicContact CB-CZ 3.59Å; C616-M657 HydrophobicContact CB-CG 4.39Å; C616-R660 WeakPolarHBondContact O-CD 3.45Å; C616-R660 PolarHBondContact O-NE 3.31Å; C616-R660 VanDerWaalsContact O-NE 3.08Å; C616-R660 PolarHBondContact O-NH1 3.19Å
617	K	95.8	Very high	96.2	Very high	156 Å²	156	45.9 Å²	45.9	68%	0.678	22%	0.218	S	C	*	.	H	α-helix	trans	-77.5	-40.6	176.9	-172.5	175	176.3	-175.6	0	112.6	A613 Q614 L615	A613-K617 PolarHBondContact O-N 3.36Å; Q614-K617 WeakPolarHBondContact O-CA 3.29Å; Q614-K617 WeakPolarHBondContact O-CB 3.37Å; Q614-K617 PolarHBondContact O-N 3.24Å; L615-K617 PolarHBondContact O-N 3.3Å
618	H	95.5	Very high	96.1	Very high	48 Å²	48	46 Å²	46	22%	0.222	22%	0.219	C	C	.	.	H	α-helix	trans	-106	-29.5	-162.9	-63.3	-72.1	0	0	0	115.9	S574 N575 P578 Q614 L615	S574-H618 WeakPolarHBondContact O-CB 3.44Å; N575-H618 PolarHBondContact OD1-CE1 3.13Å; N575-H618 PolarHBondContact OD1-NE2 2.79Å; P578-H618 HydrophobicContact CG-CB 4.49Å; Q614-H618 PolarHBondContact O-CD2 3.49Å; Q614-H618 PolarHBondContact O-N 2.92Å; L615-H618 PolarHBondContact O-N 2.93Å
619	L	95.3	Very high	95.9	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	-72.9	154.9	176.8	-67.1	-176.4	0	0	0	112	A581 I586 L615 F624 R660	A581-L619 HydrophobicContact CB-CD2 4.05Å; I586-L619 HydrophobicContact CD1-CD1 3.68Å; L615-L619 HydrophobicContact CB-CD1 4.05Å; L615-L619 HydrophobicContact CB-CG 4.34Å; L615-L619 HydrophobicContact CD2-CD1 3.7Å; L615-L619 HydrophobicContact CD2-CD2 4.45Å; L615-L619 HydrophobicContact CD2-CG 3.97Å; L615-L619 HydrophobicContact CG-CD1 4.43Å; L615-L619 WeakPolarHBondContact O-CB 3.5Å; L615-L619 PolarHBondContact O-N 3.28Å; L619-F624 HydrophobicContact CB-CB 4.5Å; L619-R660 PolarHBondContact O-NH1 3.32Å; L619-R660 PolarHBondContact O-NH2 3.46Å
620	E	94.2	Very high	95.8	Very high	131 Å²	131	51.5 Å²	51.5	61%	0.612	25%	0.25	S	S	*	.			trans	-61.4	145.4	171.1	-61	-173.5	163.4	0	0	112.3	R623 F624	E620-R623 PolarHBondContact O-N 3.14Å; E620-R623 VanDerWaalsContact O-N 3.15Å; E620-F624 PolarHBondContact O-N 2.93Å
621	K	94.3	Very high	95.8	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	23%	0.233	S	C	.	.	H	α-helix	trans	-54	-45.7	-176.3	-71.3	-167.4	-175.8	-163.4	0	113.9	R623 K625 R660 F661	K621-R623 VanDerWaalsContact C-N 3.3Å; K621-R623 PolarHBondContact O-N 3Å; K621-K625 WeakPolarHBondContact O-CB 3.36Å; K621-K625 VanDerWaalsContact O-CG 3.29Å; K621-K625 WeakPolarHBondContact O-CG 3.45Å; K621-K625 PolarHBondContact O-N 3.41Å; K621-R660 PolarHBondContact NZ-O 3.33Å; K621-F661 HydrophobicContact CB-CE1 4.02Å; K621-F661 HydrophobicContact CD-CE1 4.2Å; K621-F661 HydrophobicContact CG-CE1 4Å; K621-F661 HydrophobicContact CG-CZ 4.43Å
622	P	94.5	Very high	95.7	Very high	96 Å²	96	48.2 Å²	48.2	62%	0.623	23%	0.233	S	C	*	.	H	α-helix	trans	-62.7	-39.2	180	-22.7	34.9	0	0	0	112.4	K625 K626	P622-K625 WeakPolarHBondContact O-CB 3.35Å; P622-K625 PolarHBondContact O-N 2.78Å; P622-K626 PolarHBondContact O-N 2.95Å; P622-K626 VanDerWaalsContact O-N 3.15Å
623	R	94.2	Very high	95.6	Very high	55 Å²	55	51.1 Å²	51.1	21%	0.208	25%	0.246	C	C	.	.	H	α-helix	trans	-69.7	-44.1	-178	-165.4	169	-176.5	-135.2	-18.5	112.3	P578 A581 T582 D583 E620 K621 K625 K626	P578-R623 PolarHBondContact O-NH1 2.91Å; A581-R623 PolarHBondContact O-NH1 3.25Å; A581-R623 PolarHBondContact O-NH2 2.79Å; T582-R623 PolarHBondContact O-NH2 3.2Å; D583-R623 IonicContact OD1-CZ 3.74Å; D583-R623 IonicContact OD1-NE 3.33Å; D583-R623 PolarHBondContact OD1-NE 3.31Å; D583-R623 IonicContact OD1-NH2 2.9Å; D583-R623 PolarHBondContact OD1-NH2 3.34Å; E620-R623 PolarHBondContact O-N 3.14Å; E620-R623 VanDerWaalsContact O-N 3.15Å; K621-R623 VanDerWaalsContact C-N 3.3Å; K621-R623 PolarHBondContact O-N 3Å; R623-K625 VanDerWaalsContact C-N 3.32Å; R623-K625 PolarHBondContact O-N 2.75Å; R623-K626 VanDerWaalsContact O-CB 3.28Å; R623-K626 WeakPolarHBondContact O-CB 3.17Å; R623-K626 PolarHBondContact O-N 3.45Å
624	F	95.9	Very high	95.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-41.3	171.7	-173.5	-88.5	0	0	0	111.5	I612 L615 C616 L619 E620 K626 Y627 M628 F631 M657 F661	I612-F624 HydrophobicContact CG2-CE2 4.26Å; I612-F624 HydrophobicContact CG2-CZ 4.19Å; L615-F624 HydrophobicContact CB-CD2 4.3Å; L615-F624 HydrophobicContact CB-CE2 4.25Å; C616-F624 HydrophobicContact CB-CD2 4.15Å; C616-F624 HydrophobicContact CB-CE1 4.33Å; C616-F624 HydrophobicContact CB-CE2 3.49Å; C616-F624 VanDerWaalsContact CB-CE2 3.49Å; C616-F624 HydrophobicContact CB-CZ 3.59Å; L619-F624 HydrophobicContact CB-CB 4.5Å; E620-F624 PolarHBondContact O-N 2.93Å; F624-K626 PolarHBondContact O-N 2.95Å; F624-Y627 PolarHBondContact O-N 3.39Å; F624-Y627 VanDerWaalsContact O-N 3.11Å; F624-M628 HydrophobicContact CD1-CE 3.87Å; F624-M628 HydrophobicContact CD1-SD 4.36Å; F624-M628 HydrophobicContact CE1-CE 3.85Å; F624-M628 HydrophobicContact CE1-SD 3.81Å; F624-M628 PolarHBondContact O-N 3.44Å; F624-F631 HydrophobicContact CD2-CD2 4.26Å; F624-F631 AromaticContact CD2-CE2 3.74Å; F624-F631 HydrophobicContact CD2-CE2 3.74Å; F624-F631 HydrophobicContact CE1-CD2 4.11Å; F624-F631 HydrophobicContact CE1-CE2 4.5Å; F624-F631 AromaticContact CE2-CD2 3.66Å; F624-F631 HydrophobicContact CE2-CD2 3.66Å; F624-F631 AromaticContact CE2-CE2 3.49Å; F624-F631 HydrophobicContact CE2-CE2 3.49Å; F624-F631 VanDerWaalsContact CE2-CE2 3.49Å; F624-F631 HydrophobicContact CE2-CZ 4.49Å; F624-F631 HydrophobicContact CG-CE2 4.35Å; F624-F631 AromaticContact CZ-CD2 3.58Å; F624-F631 HydrophobicContact CZ-CD2 3.58Å; F624-F631 AromaticContact CZ-CE2 3.92Å; F624-F631 HydrophobicContact CZ-CE2 3.92Å; F624-M657 HydrophobicContact CE1-CE 4.08Å; F624-M657 HydrophobicContact CE1-CG 4.25Å; F624-M657 HydrophobicContact CZ-CE 4.24Å; F624-M657 HydrophobicContact CZ-CG 4.11Å; F624-M657 HydrophobicContact CZ-SD 4.41Å; F624-F661 HydrophobicContact CB-CZ 4.33Å; F624-F661 AromaticContact CD1-CE2 3.49Å; F624-F661 HydrophobicContact CD1-CE2 3.49Å; F624-F661 VanDerWaalsContact CD1-CE2 3.49Å; F624-F661 AromaticContact CD1-CZ 3.54Å; F624-F661 HydrophobicContact CD1-CZ 3.54Å; F624-F661 AromaticContact CE1-CE2 3.74Å; F624-F661 HydrophobicContact CE1-CE2 3.74Å; F624-F661 HydrophobicContact CE1-CZ 4.27Å; F624-F661 HydrophobicContact CG-CE2 4.43Å; F624-F661 HydrophobicContact CG-CZ 4.25Å
625	K	94.7	Very high	95.7	Very high	92 Å²	92	48.2 Å²	48.2	40%	0.4	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-28.1	178.2	-81.9	-177.7	176.8	-170.5	0	113.9	K621 P622 R623 Y627 M628 F661	K621-K625 WeakPolarHBondContact O-CB 3.36Å; K621-K625 VanDerWaalsContact O-CG 3.29Å; K621-K625 WeakPolarHBondContact O-CG 3.45Å; K621-K625 PolarHBondContact O-N 3.41Å; P622-K625 WeakPolarHBondContact O-CB 3.35Å; P622-K625 PolarHBondContact O-N 2.78Å; R623-K625 VanDerWaalsContact C-N 3.32Å; R623-K625 PolarHBondContact O-N 2.75Å; K625-Y627 PolarHBondContact O-N 3.47Å; K625-M628 HydrophobicContact CG-CE 4.02Å; K625-M628 WeakPolarHBondContact O-CB 3.21Å; K625-M628 PolarHBondContact O-N 2.7Å; K625-F661 HydrophobicContact CD-CE1 4.16Å; K625-F661 VanDerWaalsContact CE-CD1 3.49Å; K625-F661 HydrophobicContact CG-CD1 4.33Å; K625-F661 HydrophobicContact CG-CE1 3.73Å; K625-F661 HydrophobicContact CG-CZ 4.28Å
626	K	95.2	Very high	95.6	Very high	121 Å²	121	48.2 Å²	48.2	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-57.3	-35	175.2	-174.6	-171.6	172.9	-154.5	0	112	D583 P622 R623 F624	D583-K626 IonicContact OD2-NZ 2.77Å; D583-K626 PolarHBondContact OD2-NZ 2.73Å; P622-K626 PolarHBondContact O-N 2.95Å; P622-K626 VanDerWaalsContact O-N 3.15Å; R623-K626 VanDerWaalsContact O-CB 3.28Å; R623-K626 WeakPolarHBondContact O-CB 3.17Å; R623-K626 PolarHBondContact O-N 3.45Å; F624-K626 PolarHBondContact O-N 2.95Å
627	Y	96.3	Very high	95.6	Very high	13 Å²	13	49.5 Å²	49.5	5%	0.051	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	4.7	-175.8	-63.6	-82	0	0	0	113.5	D583 I586 E587 L590 F624 K625 D629 T630 F631	D583-Y627 VanDerWaalsContact CB-OH 3.24Å; D583-Y627 WeakPolarHBondContact CB-OH 3.38Å; I586-Y627 HydrophobicContact CB-CE2 4.31Å; I586-Y627 HydrophobicContact CD1-CD2 4.09Å; I586-Y627 HydrophobicContact CD1-CE2 3.86Å; I586-Y627 HydrophobicContact CG2-CD1 3.86Å; I586-Y627 HydrophobicContact CG2-CD2 3.85Å; I586-Y627 HydrophobicContact CG2-CE1 3.99Å; I586-Y627 HydrophobicContact CG2-CE2 3.99Å; I586-Y627 HydrophobicContact CG2-CG 3.79Å; E587-Y627 HydrophobicContact CG-CE1 4.09Å; E587-Y627 PolarHBondContact OE1-OH 3.29Å; L590-Y627 HydrophobicContact CD1-CD1 3.69Å; L590-Y627 HydrophobicContact CD1-CE1 4.21Å; F624-Y627 PolarHBondContact O-N 3.39Å; F624-Y627 VanDerWaalsContact O-N 3.11Å; K625-Y627 PolarHBondContact O-N 3.47Å; Y627-D629 VanDerWaalsContact C-N 3.33Å; Y627-D629 PolarHBondContact O-N 2.93Å; Y627-T630 PolarHBondContact O-N 3.22Å; Y627-F631 VanDerWaalsContact CB-CE2 3.45Å; Y627-F631 HydrophobicContact CG-CZ 4.27Å; Y627-F631 WeakPolarHBondContact O-CD2 3.45Å; Y627-F631 WeakPolarHBondContact O-CG 3.44Å; Y627-F631 PolarHBondContact O-N 3.31Å
628	M	94.5	Very high	95.6	Very high	6 Å²	6	42 Å²	42	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-52.4	-47.5	-173.3	-177.6	77.1	72	0	0	113	F624 K625 F631 L632 M657 F661 L666	F624-M628 HydrophobicContact CD1-CE 3.87Å; F624-M628 HydrophobicContact CD1-SD 4.36Å; F624-M628 HydrophobicContact CE1-CE 3.85Å; F624-M628 HydrophobicContact CE1-SD 3.81Å; F624-M628 PolarHBondContact O-N 3.44Å; K625-M628 HydrophobicContact CG-CE 4.02Å; K625-M628 WeakPolarHBondContact O-CB 3.21Å; K625-M628 PolarHBondContact O-N 2.7Å; M628-F631 PolarHBondContact O-N 2.98Å; M628-L632 HydrophobicContact CG-CD1 4.38Å; M628-L632 WeakPolarHBondContact O-CG 3.48Å; M628-L632 PolarHBondContact O-N 3.2Å; M628-M657 HydrophobicContact SD-CE 3.25Å; M628-M657 WeakPolarHBondContact SD-CE 3.25Å; M628-F661 HydrophobicContact CE-CD1 4.23Å; M628-F661 HydrophobicContact CE-CD2 3.68Å; M628-F661 HydrophobicContact CE-CE1 4.18Å; M628-F661 HydrophobicContact CE-CE2 3.64Å; M628-F661 HydrophobicContact CE-CG 3.98Å; M628-F661 HydrophobicContact CE-CZ 3.9Å; M628-L666 HydrophobicContact SD-CD1 4.46Å
629	D	94.2	Very high	95.6	Very high	58 Å²	58	40.8 Å²	40.8	31%	0.31	20%	0.2	S	C	.	.	H	α-helix	trans	-67	-43.1	-175.6	-61.9	-36.1	0	0	0	110.6	Y627 F631 L632 E633 R669 H673	Y627-D629 VanDerWaalsContact C-N 3.33Å; Y627-D629 PolarHBondContact O-N 2.93Å; D629-F631 VanDerWaalsContact C-N 3.35Å; D629-F631 PolarHBondContact O-N 3.47Å; D629-L632 WeakPolarHBondContact O-CB 3.27Å; D629-L632 PolarHBondContact O-N 2.95Å; D629-L632 VanDerWaalsContact O-N 3.16Å; D629-E633 PolarHBondContact O-N 2.84Å; D629-R669 IonicContact OD1-CZ 2.66Å; D629-R669 IonicContact OD1-NE 3.32Å; D629-R669 PolarHBondContact OD1-NE 3.14Å; D629-R669 IonicContact OD1-NH2 3.44Å; D629-R669 PolarHBondContact OD1-NH2 3Å; D629-R669 IonicContact OD2-CZ 2.92Å; D629-R669 IonicContact OD2-NE 2.75Å; D629-R669 IonicContact OD2-NH2 3.62Å; D629-R669 PolarHBondContact OD2-NH2 2.75Å; D629-H673 PolarHBondContact O-NE2 3.36Å; D629-H673 IonicContact OD1-CD2 2.58Å
630	T	95.8	Very high	95.6	Very high	58 Å²	58	44.8 Å²	44.8	36%	0.356	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-37.2	174.8	-40.8	0	0	0	0	112.3	L590 Y627 L632 E633 V634	L590-T630 HydrophobicContact CD1-CG2 3.97Å; L590-T630 HydrophobicContact CD2-CG2 3.76Å; L590-T630 HydrophobicContact CG-CG2 4.37Å; Y627-T630 PolarHBondContact O-N 3.22Å; T630-L632 VanDerWaalsContact C-N 3.33Å; T630-L632 PolarHBondContact O-N 3.49Å; T630-E633 WeakPolarHBondContact O-CB 3.47Å; T630-E633 PolarHBondContact O-N 3.37Å; T630-V634 WeakPolarHBondContact O-CG2 3.44Å; T630-V634 PolarHBondContact O-N 3.45Å; T630-V634 VanDerWaalsContact O-N 3.08Å
631	F	97.1	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-38.4	173.6	-65.2	-33.5	0	0	0	112.2	I586 L590 I612 L615 F624 Y627 M628 D629 E633 V634 L635	I586-F631 HydrophobicContact CG2-CE1 4.08Å; I586-F631 HydrophobicContact CG2-CZ 3.78Å; L590-F631 HydrophobicContact CD2-CD1 3.85Å; L590-F631 HydrophobicContact CD2-CE1 3.87Å; L590-F631 HydrophobicContact CG-CE1 4.36Å; I612-F631 HydrophobicContact CD1-CB 4.34Å; I612-F631 HydrophobicContact CD1-CD1 3.77Å; I612-F631 HydrophobicContact CD1-CE1 4.48Å; I612-F631 HydrophobicContact CD1-CG 4.32Å; I612-F631 HydrophobicContact CG1-CD1 3.78Å; I612-F631 HydrophobicContact CG1-CE1 4.09Å; I612-F631 HydrophobicContact CG1-CG 4.35Å; I612-F631 HydrophobicContact CG2-CB 3.97Å; I612-F631 HydrophobicContact CG2-CD1 4.13Å; I612-F631 HydrophobicContact CG2-CD2 4.14Å; I612-F631 HydrophobicContact CG2-CG 3.84Å; L615-F631 HydrophobicContact CD1-CZ 4.31Å; F624-F631 HydrophobicContact CD2-CD2 4.26Å; F624-F631 AromaticContact CD2-CE2 3.74Å; F624-F631 HydrophobicContact CD2-CE2 3.74Å; F624-F631 HydrophobicContact CE1-CD2 4.11Å; F624-F631 HydrophobicContact CE1-CE2 4.5Å; F624-F631 AromaticContact CE2-CD2 3.66Å; F624-F631 HydrophobicContact CE2-CD2 3.66Å; F624-F631 AromaticContact CE2-CE2 3.49Å; F624-F631 HydrophobicContact CE2-CE2 3.49Å; F624-F631 VanDerWaalsContact CE2-CE2 3.49Å; F624-F631 HydrophobicContact CE2-CZ 4.49Å; F624-F631 HydrophobicContact CG-CE2 4.35Å; F624-F631 AromaticContact CZ-CD2 3.58Å; F624-F631 HydrophobicContact CZ-CD2 3.58Å; F624-F631 AromaticContact CZ-CE2 3.92Å; F624-F631 HydrophobicContact CZ-CE2 3.92Å; Y627-F631 VanDerWaalsContact CB-CE2 3.45Å; Y627-F631 HydrophobicContact CG-CZ 4.27Å; Y627-F631 WeakPolarHBondContact O-CD2 3.45Å; Y627-F631 WeakPolarHBondContact O-CG 3.44Å; Y627-F631 PolarHBondContact O-N 3.31Å; M628-F631 PolarHBondContact O-N 2.98Å; D629-F631 VanDerWaalsContact C-N 3.35Å; D629-F631 PolarHBondContact O-N 3.47Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.47Å; F631-V634 PolarHBondContact O-N 3.49Å; F631-L635 WeakPolarHBondContact O-CD1 3.41Å; F631-L635 VanDerWaalsContact O-CG 3.27Å; F631-L635 WeakPolarHBondContact O-CG 3.32Å; F631-L635 PolarHBondContact O-N 3.49Å
632	L	96.6	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-36.8	173.6	-69.7	172.6	0	0	0	111.7	M628 D629 T630 L635 A636 L654 M657 L666 R669 I670 V678 L682	M628-L632 HydrophobicContact CG-CD1 4.38Å; M628-L632 WeakPolarHBondContact O-CG 3.48Å; M628-L632 PolarHBondContact O-N 3.2Å; D629-L632 WeakPolarHBondContact O-CB 3.27Å; D629-L632 PolarHBondContact O-N 2.95Å; D629-L632 VanDerWaalsContact O-N 3.16Å; T630-L632 VanDerWaalsContact C-N 3.33Å; T630-L632 PolarHBondContact O-N 3.49Å; L632-L635 HydrophobicContact CD2-CD1 4.22Å; L632-L635 PolarHBondContact O-N 3.2Å; L632-A636 WeakPolarHBondContact O-CB 3.48Å; L632-A636 PolarHBondContact O-N 3.41Å; L632-L654 HydrophobicContact CD2-CD2 3.94Å; L632-M657 HydrophobicContact CD2-CE 3.9Å; L632-M657 HydrophobicContact CG-CE 4.27Å; L632-L666 HydrophobicContact CD2-CD1 4.09Å; L632-R669 HydrophobicContact CD1-CG 4.34Å; L632-I670 HydrophobicContact CD1-CG1 3.93Å; L632-I670 HydrophobicContact CD2-CD1 3.98Å; L632-I670 HydrophobicContact CD2-CG1 3.84Å; L632-I670 HydrophobicContact CG-CG1 4.48Å; L632-V678 HydrophobicContact CB-CG1 3.84Å; L632-L682 HydrophobicContact CB-CD1 4.38Å; L632-L682 HydrophobicContact CD2-CD1 3.98Å; L632-L682 WeakPolarHBondContact O-CD1 3.49Å
633	E	96.3	Very high	95.3	Very high	62 Å²	62	39 Å²	39	29%	0.29	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-44.5	172.3	-68.1	-176.6	159.6	0	0	112.3	D629 T630 F631 L635 A636 I637 H673 V678	D629-E633 PolarHBondContact O-N 2.84Å; T630-E633 WeakPolarHBondContact O-CB 3.47Å; T630-E633 PolarHBondContact O-N 3.37Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.47Å; E633-L635 VanDerWaalsContact C-N 3.34Å; E633-L635 PolarHBondContact O-N 3.08Å; E633-A636 PolarHBondContact O-N 2.92Å; E633-I637 VanDerWaalsContact O-CG1 3.25Å; E633-I637 WeakPolarHBondContact O-CG1 3.4Å; E633-I637 PolarHBondContact O-N 3.09Å; E633-H673 IonicContact OE1-CE1 2.72Å; E633-H673 PolarHBondContact OE1-CE1 3.31Å; E633-V678 HydrophobicContact CB-CG2 4.4Å; E633-V678 HydrophobicContact CG-CG2 3.73Å
634	V	97.2	Very high	95.3	Very high	8 Å²	8	41 Å²	41	5%	0.048	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-44.5	176	175.3	0	0	0	0	111.4	L590 C593 L605 A608 I612 T630 F631 A636 I637 S638	L590-V634 HydrophobicContact CD2-CG2 4.08Å; C593-V634 HydrophobicContact CB-CG1 4.35Å; C593-V634 HydrophobicContact CB-CG2 3.95Å; L605-V634 HydrophobicContact CD2-CG1 4.2Å; A608-V634 HydrophobicContact CB-CG1 4.47Å; I612-V634 HydrophobicContact CD1-CB 4.06Å; I612-V634 HydrophobicContact CD1-CG1 3.82Å; T630-V634 WeakPolarHBondContact O-CG2 3.44Å; T630-V634 PolarHBondContact O-N 3.45Å; T630-V634 VanDerWaalsContact O-N 3.08Å; F631-V634 PolarHBondContact O-N 3.49Å; V634-A636 PolarHBondContact O-N 3.13Å; V634-I637 PolarHBondContact O-N 3.3Å; V634-S638 PolarHBondContact O-N 3.25Å; V634-S638 PolarHBondContact O-OG 2.9Å
635	L	97.1	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-44.5	176.7	-70	159	0	0	0	111.2	C609 F631 L632 E633 I637 S638 V639 A650 C653 L654 M657 L682	C609-L635 HydrophobicContact CB-CD2 4.44Å; F631-L635 WeakPolarHBondContact O-CD1 3.41Å; F631-L635 VanDerWaalsContact O-CG 3.27Å; F631-L635 WeakPolarHBondContact O-CG 3.32Å; F631-L635 PolarHBondContact O-N 3.49Å; L632-L635 HydrophobicContact CD2-CD1 4.22Å; L632-L635 PolarHBondContact O-N 3.2Å; E633-L635 VanDerWaalsContact C-N 3.34Å; E633-L635 PolarHBondContact O-N 3.08Å; L635-I637 PolarHBondContact O-N 2.84Å; L635-S638 WeakPolarHBondContact O-CB 3.24Å; L635-S638 PolarHBondContact O-N 3.45Å; L635-V639 WeakPolarHBondContact O-CG2 3.49Å; L635-V639 PolarHBondContact O-N 3.44Å; L635-A650 VanDerWaalsContact CD2-CA 3.49Å; L635-A650 HydrophobicContact CD2-CB 3.72Å; L635-A650 WeakPolarHBondContact CD2-O 3.4Å; L635-C653 HydrophobicContact CD2-CB 3.65Å; L635-L654 HydrophobicContact CD1-CD2 4.11Å; L635-L654 HydrophobicContact CD1-CG 4.31Å; L635-M657 HydrophobicContact CD1-CE 4.31Å; L635-M657 HydrophobicContact CD1-SD 3.62Å; L635-L682 HydrophobicContact CB-CD1 3.92Å; L635-L682 HydrophobicContact CB-CD2 4.17Å
636	A	96.8	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-41.5	178.7	0	0	0	0	0	112.1	L632 E633 V634 S638 V639 E640 F677 V678 N681 L682	L632-A636 WeakPolarHBondContact O-CB 3.48Å; L632-A636 PolarHBondContact O-N 3.41Å; E633-A636 PolarHBondContact O-N 2.92Å; V634-A636 PolarHBondContact O-N 3.13Å; A636-S638 VanDerWaalsContact C-N 3.3Å; A636-S638 PolarHBondContact O-N 2.89Å; A636-V639 PolarHBondContact O-N 2.97Å; A636-E640 PolarHBondContact O-N 3.22Å; A636-F677 HydrophobicContact CB-CD1 3.8Å; A636-F677 HydrophobicContact CB-CE1 3.5Å; A636-F677 VanDerWaalsContact CB-CE1 3.5Å; A636-F677 HydrophobicContact CB-CZ 4.37Å; A636-V678 HydrophobicContact CB-CB 4.39Å; A636-V678 HydrophobicContact CB-CG2 4.09Å; A636-N681 HydrophobicContact CB-CB 4.04Å; A636-L682 HydrophobicContact CB-CD1 4.24Å; A636-L682 HydrophobicContact CB-CD2 4.23Å; A636-L682 HydrophobicContact CB-CG 4.01Å
637	I	96	Very high	95.2	Very high	28 Å²	28	37.1 Å²	37.1	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-38.7	175.5	-63.3	165.1	0	0	0	110.5	L605 E633 V634 L635 V639 E640 S641 F677	L605-I637 HydrophobicContact CD1-CB 4.39Å; L605-I637 HydrophobicContact CD1-CG2 3.6Å; E633-I637 VanDerWaalsContact O-CG1 3.25Å; E633-I637 WeakPolarHBondContact O-CG1 3.4Å; E633-I637 PolarHBondContact O-N 3.09Å; V634-I637 PolarHBondContact O-N 3.3Å; L635-I637 PolarHBondContact O-N 2.84Å; I637-V639 VanDerWaalsContact C-N 3.31Å; I637-V639 PolarHBondContact O-N 3.5Å; I637-E640 PolarHBondContact O-N 3.36Å; I637-S641 PolarHBondContact O-N 3.12Å; I637-F677 HydrophobicContact CB-CE1 4.5Å; I637-F677 HydrophobicContact CG1-CE1 3.78Å; I637-F677 HydrophobicContact CG1-CZ 4.31Å
638	S	96.2	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-38.9	177.9	-54.6	0	0	0	0	111.6	C609 V634 L635 A636 S641	C609-S638 PolarHBondContact SG-OG 2.87Å; V634-S638 PolarHBondContact O-N 3.25Å; V634-S638 PolarHBondContact O-OG 2.9Å; L635-S638 WeakPolarHBondContact O-CB 3.24Å; L635-S638 PolarHBondContact O-N 3.45Å; A636-S638 VanDerWaalsContact C-N 3.3Å; A636-S638 PolarHBondContact O-N 2.89Å; S638-S641 WeakPolarHBondContact O-CB 3.37Å; S638-S641 PolarHBondContact O-N 2.94Å; S638-S641 PolarHBondContact O-OG 3.22Å
639	V	95.6	Very high	95.3	Very high	22 Å²	22	41.3 Å²	41.3	13%	0.133	22%	0.22	C	C	.	.	H	α-helix	trans	-68.6	-45.7	175.3	176.2	0	0	0	0	111.6	L635 A636 I637 S641 K642 A650 N681 L682 L685	L635-V639 WeakPolarHBondContact O-CG2 3.49Å; L635-V639 PolarHBondContact O-N 3.44Å; A636-V639 PolarHBondContact O-N 2.97Å; I637-V639 VanDerWaalsContact C-N 3.31Å; I637-V639 PolarHBondContact O-N 3.5Å; V639-S641 PolarHBondContact O-N 3.23Å; V639-K642 PolarHBondContact O-N 3.29Å; V639-K642 VanDerWaalsContact O-N 3.09Å; V639-A650 HydrophobicContact CG2-CB 3.93Å; V639-N681 HydrophobicContact CB-CB 4.35Å; V639-N681 HydrophobicContact CG1-CB 4.31Å; V639-L682 HydrophobicContact CB-CD2 4.47Å; V639-L682 HydrophobicContact CG2-CD2 3.79Å; V639-L685 HydrophobicContact CB-CD1 4.37Å; V639-L685 HydrophobicContact CG1-CD1 4.08Å; V639-L685 HydrophobicContact CG2-CD1 3.34Å
640	E	95.2	Very high	95.4	Very high	86 Å²	86	38.6 Å²	38.6	40%	0.402	21%	0.205	S	C	.	.	H	α-helix	trans	-61.3	-27.4	177.9	-179.9	59.3	-144.9	0	0	112.7	A636 I637 K642 F677 N681	A636-E640 PolarHBondContact O-N 3.22Å; I637-E640 PolarHBondContact O-N 3.36Å; E640-K642 WeakPolarHBondContact O-CG 3.34Å; E640-K642 PolarHBondContact O-N 3.13Å; E640-K642 VanDerWaalsContact O-N 3.08Å; E640-F677 HydrophobicContact CB-CE2 3.9Å; E640-F677 HydrophobicContact CB-CZ 3.6Å; E640-F677 HydrophobicContact CG-CE2 3.89Å; E640-F677 HydrophobicContact CG-CZ 4.01Å; E640-N681 PolarHBondContact OE2-OD1 3.29Å
641	S	92.5	Very high	95.4	Very high	22 Å²	22	37.5 Å²	37.5	15%	0.154	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.3	176.5	82.4	0	0	0	0	113.7	I637 S638 V639 L643	I637-S641 PolarHBondContact O-N 3.12Å; S638-S641 WeakPolarHBondContact O-CB 3.37Å; S638-S641 PolarHBondContact O-N 2.94Å; S638-S641 PolarHBondContact O-OG 3.22Å; V639-S641 PolarHBondContact O-N 3.23Å; S641-L643 PolarHBondContact O-N 3.18Å; S641-L643 PolarHBondContact OG-N 2.98Å
642	K	92.4	Very high	95.3	Very high	156 Å²	156	41.4 Å²	41.4	68%	0.678	22%	0.219	S	C	*	.			trans	59.2	8.5	-177.8	-64.5	163.5	-170.2	169.6	0	114.7	V639 E640 P644	V639-K642 PolarHBondContact O-N 3.29Å; V639-K642 VanDerWaalsContact O-N 3.09Å; E640-K642 WeakPolarHBondContact O-CG 3.34Å; E640-K642 PolarHBondContact O-N 3.13Å; E640-K642 VanDerWaalsContact O-N 3.08Å; K642-P644 WeakPolarHBondContact O-CD 3.31Å
643	L	92.1	Very high	95.3	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.162	22%	0.219	C	C	.	.			trans	-73.4	118.5	171.6	-179.8	69.6	0	0	0	108.9	P602 Y603 S641 L645 A646 V647	P602-L643 HydrophobicContact CB-CB 3.81Å; P602-L643 HydrophobicContact CB-CD2 3.68Å; P602-L643 HydrophobicContact CB-CG 4.35Å; Y603-L643 HydrophobicContact CD1-CD2 3.61Å; Y603-L643 HydrophobicContact CD2-CD2 4.49Å; Y603-L643 HydrophobicContact CE1-CD1 4.17Å; Y603-L643 HydrophobicContact CE1-CD2 3.64Å; Y603-L643 HydrophobicContact CG-CD2 4.06Å; S641-L643 PolarHBondContact O-N 3.18Å; S641-L643 PolarHBondContact OG-N 2.98Å; L643-L645 PolarHBondContact O-N 3.42Å; L643-L645 VanDerWaalsContact O-N 3.11Å; L643-A646 HydrophobicContact CB-CB 4.12Å; L643-A646 HydrophobicContact CD2-CB 4.27Å; L643-A646 HydrophobicContact CG-CB 4.48Å; L643-A646 PolarHBondContact O-N 2.88Å; L643-V647 WeakPolarHBondContact O-CG2 3.33Å; L643-V647 PolarHBondContact O-N 2.92Å
644	P	94.7	Very high	95.2	Very high	99 Å²	99	38.5 Å²	38.5	64%	0.643	21%	0.205	S	C	*	.	H	α-helix	trans	-54.7	-36.9	-173.7	-29.7	36.6	0	0	0	114.5	K642 N648	K642-P644 WeakPolarHBondContact O-CD 3.31Å; P644-N648 VanDerWaalsContact O-CB 3.3Å; P644-N648 WeakPolarHBondContact O-CB 3.16Å; P644-N648 PolarHBondContact O-N 3.22Å
645	L	93.1	Very high	95	Very high	93 Å²	93	42.6 Å²	42.6	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-66.4	-46.5	178	-63.9	175.2	0	0	0	112	E606 L643 V647 N648 A649	E606-L645 VanDerWaalsContact CD-CB 3.46Å; E606-L645 HydrophobicContact CG-CB 4.2Å; E606-L645 VanDerWaalsContact OE2-CB 3.32Å; E606-L645 WeakPolarHBondContact OE2-CB 3.14Å; L643-L645 PolarHBondContact O-N 3.42Å; L643-L645 VanDerWaalsContact O-N 3.11Å; L645-V647 PolarHBondContact O-N 3.25Å; L645-N648 PolarHBondContact O-N 3.27Å; L645-A649 WeakPolarHBondContact O-CB 3.26Å; L645-A649 PolarHBondContact O-N 3.17Å
646	A	94.8	Very high	94.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-40.8	176.6	0	0	0	0	0	112.3	E606 L643 A649 A650	E606-A646 HydrophobicContact CB-CB 4.15Å; L643-A646 HydrophobicContact CB-CB 4.12Å; L643-A646 HydrophobicContact CD2-CB 4.27Å; L643-A646 HydrophobicContact CG-CB 4.48Å; L643-A646 PolarHBondContact O-N 2.88Å; A646-A649 PolarHBondContact O-N 3.05Å; A646-A650 WeakPolarHBondContact O-CB 3.45Å; A646-A650 PolarHBondContact O-N 2.98Å
647	V	96	Very high	94.8	Very high	38 Å²	38	44.9 Å²	44.9	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-44.1	175.2	-179.2	0	0	0	0	110.9	L643 L645 A650 S651	L643-V647 WeakPolarHBondContact O-CG2 3.33Å; L643-V647 PolarHBondContact O-N 2.92Å; L645-V647 PolarHBondContact O-N 3.25Å; V647-A650 PolarHBondContact O-N 2.82Å; V647-S651 PolarHBondContact O-N 3.36Å
648	N	95.6	Very high	94.7	Very high	102 Å²	102	43.7 Å²	43.7	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-44.6	178.3	-175.8	68.5	0	0	0	112.1	P644 L645 A650 S651 E652	P644-N648 VanDerWaalsContact O-CB 3.3Å; P644-N648 WeakPolarHBondContact O-CB 3.16Å; P644-N648 PolarHBondContact O-N 3.22Å; L645-N648 PolarHBondContact O-N 3.27Å; N648-A650 VanDerWaalsContact C-N 3.31Å; N648-A650 PolarHBondContact O-N 3.36Å; N648-S651 PolarHBondContact O-N 3.01Å; N648-E652 PolarHBondContact O-N 3.29Å
649	A	96.4	Very high	94.5	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-41.4	175.4	0	0	0	0	0	111.6	E606 C609 L645 A646 E652 C653	E606-A649 HydrophobicContact CG-CB 4.06Å; C609-A649 HydrophobicContact CB-CB 3.76Å; L645-A649 WeakPolarHBondContact O-CB 3.26Å; L645-A649 PolarHBondContact O-N 3.17Å; A646-A649 PolarHBondContact O-N 3.05Å; A649-E652 PolarHBondContact O-N 3.44Å; A649-C653 WeakPolarHBondContact O-CB 3.45Å; A649-C653 PolarHBondContact O-N 3.26Å
650	A	96.6	Very high	94.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-42	175.3	0	0	0	0	0	112.5	L635 V639 A646 V647 N648 C653 L654	L635-A650 VanDerWaalsContact CD2-CA 3.49Å; L635-A650 HydrophobicContact CD2-CB 3.72Å; L635-A650 WeakPolarHBondContact CD2-O 3.4Å; V639-A650 HydrophobicContact CG2-CB 3.93Å; A646-A650 WeakPolarHBondContact O-CB 3.45Å; A646-A650 PolarHBondContact O-N 2.98Å; V647-A650 PolarHBondContact O-N 2.82Å; N648-A650 VanDerWaalsContact C-N 3.31Å; N648-A650 PolarHBondContact O-N 3.36Å; A650-C653 PolarHBondContact O-N 3.32Å; A650-L654 PolarHBondContact O-N 3.46Å
651	S	95.1	Very high	94.4	Very high	35 Å²	35	48.7 Å²	48.7	25%	0.245	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-46.4	176.8	-174.2	0	0	0	0	112.4	V647 N648 C653 L654 K655	V647-S651 PolarHBondContact O-N 3.36Å; N648-S651 PolarHBondContact O-N 3.01Å; S651-C653 VanDerWaalsContact C-N 3.34Å; S651-C653 PolarHBondContact O-N 3.18Å; S651-L654 PolarHBondContact O-N 3.43Å; S651-K655 WeakPolarHBondContact O-CB 3.25Å; S651-K655 PolarHBondContact O-N 3.4Å
652	E	94.8	Very high	94.3	Very high	83 Å²	83	48.7 Å²	48.7	39%	0.388	26%	0.26	S	S	.	.	H	α-helix	trans	-67.8	-33	177.1	-75.8	-63.8	140.6	0	0	112.4	N648 A649 K655 S656	N648-E652 PolarHBondContact O-N 3.29Å; A649-E652 PolarHBondContact O-N 3.44Å; E652-K655 PolarHBondContact O-N 2.85Å; E652-K655 IonicContact OE1-NZ 3.77Å; E652-K655 PolarHBondContact OE1-NZ 2.91Å; E652-K655 IonicContact OE2-NZ 3.34Å; E652-K655 PolarHBondContact OE2-NZ 3.47Å; E652-S656 PolarHBondContact O-N 3.06Å; E652-S656 PolarHBondContact O-OG 3.08Å
653	C	96.4	Very high	94.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-46.4	171.3	-177.8	0	0	0	0	111.8	I612 A613 L635 A649 A650 S651 K655 S656 M657	I612-C653 VanDerWaalsContact CG2-SG 3.59Å; A613-C653 HydrophobicContact CB-CB 4.09Å; L635-C653 HydrophobicContact CD2-CB 3.65Å; A649-C653 WeakPolarHBondContact O-CB 3.45Å; A649-C653 PolarHBondContact O-N 3.26Å; A650-C653 PolarHBondContact O-N 3.32Å; S651-C653 VanDerWaalsContact C-N 3.34Å; S651-C653 PolarHBondContact O-N 3.18Å; C653-K655 VanDerWaalsContact C-N 3.31Å; C653-K655 PolarHBondContact O-N 2.95Å; C653-S656 WeakPolarHBondContact O-CB 3.18Å; C653-S656 PolarHBondContact O-N 3.37Å; C653-S656 VanDerWaalsContact O-N 3.1Å; C653-M657 WeakPolarHBondContact O-CG 3.34Å; C653-M657 PolarHBondContact O-N 3.09Å
654	L	95.1	Very high	94	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-42.8	175.4	-84	175.7	0	0	0	112.3	L632 L635 A650 S651 S656 M657 G658 L666 I670 L682 L685 L686	L632-L654 HydrophobicContact CD2-CD2 3.94Å; L635-L654 HydrophobicContact CD1-CD2 4.11Å; L635-L654 HydrophobicContact CD1-CG 4.31Å; A650-L654 PolarHBondContact O-N 3.46Å; S651-L654 PolarHBondContact O-N 3.43Å; L654-S656 VanDerWaalsContact C-N 3.34Å; L654-S656 PolarHBondContact O-N 3.4Å; L654-M657 PolarHBondContact O-N 2.72Å; L654-G658 PolarHBondContact O-N 2.9Å; L654-L666 HydrophobicContact CD2-CD2 4.08Å; L654-L666 WeakPolarHBondContact O-CD2 3.43Å; L654-I670 HydrophobicContact CD2-CD1 4.07Å; L654-L682 HydrophobicContact CD1-CB 4.21Å; L654-L682 HydrophobicContact CD1-CD1 4.44Å; L654-L682 HydrophobicContact CD1-CD2 4.02Å; L654-L682 HydrophobicContact CD1-CG 4.45Å; L654-L682 HydrophobicContact CD2-CD1 4.28Å; L654-L685 HydrophobicContact CD1-CB 3.94Å; L654-L685 HydrophobicContact CD1-CD1 4.48Å; L654-L686 HydrophobicContact CD2-CD2 4.38Å
655	K	93.6	Very high	93.8	Very high	94 Å²	94	44.8 Å²	44.8	41%	0.409	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-42	174.6	-177.3	-176.7	174.9	-169.1	0	111.9	S651 E652 C653 G658 N659	S651-K655 WeakPolarHBondContact O-CB 3.25Å; S651-K655 PolarHBondContact O-N 3.4Å; E652-K655 PolarHBondContact O-N 2.85Å; E652-K655 IonicContact OE1-NZ 3.77Å; E652-K655 PolarHBondContact OE1-NZ 2.91Å; E652-K655 IonicContact OE2-NZ 3.34Å; E652-K655 PolarHBondContact OE2-NZ 3.47Å; C653-K655 VanDerWaalsContact C-N 3.31Å; C653-K655 PolarHBondContact O-N 2.95Å; K655-G658 PolarHBondContact O-N 3.47Å; K655-N659 WeakPolarHBondContact O-CB 3.43Å; K655-N659 VanDerWaalsContact O-CG 3.23Å; K655-N659 PolarHBondContact O-N 3.32Å; K655-N659 PolarHBondContact O-ND2 2.95Å
656	S	93.9	Very high	93.7	Very high	48 Å²	48	40.6 Å²	40.6	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-43.2	174.9	-62.8	0	0	0	0	112	E652 C653 L654 R660	E652-S656 PolarHBondContact O-N 3.06Å; E652-S656 PolarHBondContact O-OG 3.08Å; C653-S656 WeakPolarHBondContact O-CB 3.18Å; C653-S656 PolarHBondContact O-N 3.37Å; C653-S656 VanDerWaalsContact O-N 3.1Å; L654-S656 VanDerWaalsContact C-N 3.34Å; L654-S656 PolarHBondContact O-N 3.4Å; S656-R660 PolarHBondContact O-N 3.24Å
657	M	95.2	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-44.7	174.7	-66.1	166.2	74	0	0	111.7	C616 F624 M628 L632 L635 C653 L654 N659 R660 F661 L666	C616-M657 HydrophobicContact CB-CG 4.39Å; F624-M657 HydrophobicContact CE1-CE 4.08Å; F624-M657 HydrophobicContact CE1-CG 4.25Å; F624-M657 HydrophobicContact CZ-CE 4.24Å; F624-M657 HydrophobicContact CZ-CG 4.11Å; F624-M657 HydrophobicContact CZ-SD 4.41Å; M628-M657 HydrophobicContact SD-CE 3.25Å; M628-M657 WeakPolarHBondContact SD-CE 3.25Å; L632-M657 HydrophobicContact CD2-CE 3.9Å; L632-M657 HydrophobicContact CG-CE 4.27Å; L635-M657 HydrophobicContact CD1-CE 4.31Å; L635-M657 HydrophobicContact CD1-SD 3.62Å; C653-M657 WeakPolarHBondContact O-CG 3.34Å; C653-M657 PolarHBondContact O-N 3.09Å; L654-M657 PolarHBondContact O-N 2.72Å; M657-N659 PolarHBondContact O-N 2.86Å; M657-R660 PolarHBondContact O-N 3.19Å; M657-R660 VanDerWaalsContact O-N 3.12Å; M657-F661 WeakPolarHBondContact O-CD2 3.18Å; M657-F661 PolarHBondContact O-N 3.47Å; M657-L666 HydrophobicContact CB-CD1 4.39Å; M657-L666 HydrophobicContact CB-CD2 3.93Å; M657-L666 HydrophobicContact CE-CD1 4.13Å
658	G	93.1	Very high	93.4	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-45.1	178.1	0	0	0	0	0	112	L654 K655 R660 G662 P663	L654-G658 PolarHBondContact O-N 2.9Å; K655-G658 PolarHBondContact O-N 3.47Å; G658-R660 VanDerWaalsContact C-N 3.27Å; G658-R660 PolarHBondContact O-N 2.96Å; G658-G662 CarbonylContact O-C 3.34Å; G658-G662 VanDerWaalsContact O-C 3.29Å; G658-G662 WeakPolarHBondContact O-CA 3.32Å; G658-G662 PolarHBondContact O-N 2.86Å; G658-P663 WeakPolarHBondContact O-CD 3.3Å
659	N	92.9	Very high	93.2	Very high	129 Å²	129	42.1 Å²	42.1	69%	0.69	23%	0.234	S	C	*	.	H	α-helix	trans	-61.9	-32.9	175.4	-72.4	-23.1	0	0	0	112.7	K655 M657	K655-N659 WeakPolarHBondContact O-CB 3.43Å; K655-N659 VanDerWaalsContact O-CG 3.23Å; K655-N659 PolarHBondContact O-N 3.32Å; K655-N659 PolarHBondContact O-ND2 2.95Å; M657-N659 PolarHBondContact O-N 2.86Å
660	R	94.1	Very high	93	Very high	58 Å²	58	41.9 Å²	41.9	22%	0.219	23%	0.232	C	C	.	.	H	α-helix	trans	-85.4	-36.1	-175.9	-170.9	169.1	-158.9	-147.2	3.9	114.3	C616 L619 K621 S656 M657 G658	C616-R660 WeakPolarHBondContact O-CD 3.45Å; C616-R660 PolarHBondContact O-NE 3.31Å; C616-R660 VanDerWaalsContact O-NE 3.08Å; C616-R660 PolarHBondContact O-NH1 3.19Å; L619-R660 PolarHBondContact O-NH1 3.32Å; L619-R660 PolarHBondContact O-NH2 3.46Å; K621-R660 PolarHBondContact NZ-O 3.33Å; S656-R660 PolarHBondContact O-N 3.24Å; M657-R660 PolarHBondContact O-N 3.19Å; M657-R660 VanDerWaalsContact O-N 3.12Å; G658-R660 VanDerWaalsContact C-N 3.27Å; G658-R660 PolarHBondContact O-N 2.96Å
661	F	93.5	Very high	92.8	Very high	25 Å²	25	46.8 Å²	46.8	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-111.6	-13.7	-172.6	-63.6	-75.9	0	0	0	114.1	K621 F624 K625 M628 M657 V665	K621-F661 HydrophobicContact CB-CE1 4.02Å; K621-F661 HydrophobicContact CD-CE1 4.2Å; K621-F661 HydrophobicContact CG-CE1 4Å; K621-F661 HydrophobicContact CG-CZ 4.43Å; F624-F661 HydrophobicContact CB-CZ 4.33Å; F624-F661 AromaticContact CD1-CE2 3.49Å; F624-F661 HydrophobicContact CD1-CE2 3.49Å; F624-F661 VanDerWaalsContact CD1-CE2 3.49Å; F624-F661 AromaticContact CD1-CZ 3.54Å; F624-F661 HydrophobicContact CD1-CZ 3.54Å; F624-F661 AromaticContact CE1-CE2 3.74Å; F624-F661 HydrophobicContact CE1-CE2 3.74Å; F624-F661 HydrophobicContact CE1-CZ 4.27Å; F624-F661 HydrophobicContact CG-CE2 4.43Å; F624-F661 HydrophobicContact CG-CZ 4.25Å; K625-F661 HydrophobicContact CD-CE1 4.16Å; K625-F661 VanDerWaalsContact CE-CD1 3.49Å; K625-F661 HydrophobicContact CG-CD1 4.33Å; K625-F661 HydrophobicContact CG-CE1 3.73Å; K625-F661 HydrophobicContact CG-CZ 4.28Å; M628-F661 HydrophobicContact CE-CD1 4.23Å; M628-F661 HydrophobicContact CE-CD2 3.68Å; M628-F661 HydrophobicContact CE-CE1 4.18Å; M628-F661 HydrophobicContact CE-CE2 3.64Å; M628-F661 HydrophobicContact CE-CG 3.98Å; M628-F661 HydrophobicContact CE-CZ 3.9Å; M657-F661 WeakPolarHBondContact O-CD2 3.18Å; M657-F661 PolarHBondContact O-N 3.47Å; F661-V665 WeakPolarHBondContact O-CG2 3.41Å
662	G	91	Very high	92.6	Very high	23 Å²	23	49.6 Å²	49.6	24%	0.237	27%	0.274	C	S	.	.			trans	100.5	128.8	-174.7	0	0	0	0	0	111.4	G658 S664 V665 L666	G658-G662 CarbonylContact O-C 3.34Å; G658-G662 VanDerWaalsContact O-C 3.29Å; G658-G662 WeakPolarHBondContact O-CA 3.32Å; G658-G662 PolarHBondContact O-N 2.86Å; G662-S664 VanDerWaalsContact C-N 3.3Å; G662-S664 PolarHBondContact O-N 3.21Å; G662-V665 PolarHBondContact O-N 2.78Å; G662-L666 PolarHBondContact O-N 3.1Å
663	P	88.6	Confident	92.5	Very high	46 Å²	46	46.5 Å²	46.5	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-39.3	179.6	-26.3	34.7	0	0	0	113.5	G658 L666 R667	G658-P663 WeakPolarHBondContact O-CD 3.3Å; P663-L666 PolarHBondContact O-N 2.95Å; P663-R667 VanDerWaalsContact O-CB 3.28Å; P663-R667 WeakPolarHBondContact O-CB 3.49Å; P663-R667 PolarHBondContact O-N 3.24Å
664	S	90.5	Very high	92.1	Very high	75 Å²	75	54.4 Å²	54.4	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-37.2	177.7	41.4	0	0	0	0	113.1	G662 G668	G662-S664 VanDerWaalsContact C-N 3.3Å; G662-S664 PolarHBondContact O-N 3.21Å; S664-G668 PolarHBondContact O-N 3.38Å
665	V	89.7	Confident	91.7	Very high	83 Å²	83	57.5 Å²	57.5	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-67	-43.6	174.9	178.1	0	0	0	0	110.5	F661 G662 R669	F661-V665 WeakPolarHBondContact O-CG2 3.41Å; G662-V665 PolarHBondContact O-N 2.78Å; V665-R669 PolarHBondContact O-N 3.42Å; V665-R669 VanDerWaalsContact O-N 3.15Å
666	L	91.6	Very high	91.5	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-45.7	178.9	-172.3	61.6	0	0	0	111.3	M628 L632 L654 M657 G662 P663 G668 R669 I670 L686	M628-L666 HydrophobicContact SD-CD1 4.46Å; L632-L666 HydrophobicContact CD2-CD1 4.09Å; L654-L666 HydrophobicContact CD2-CD2 4.08Å; L654-L666 WeakPolarHBondContact O-CD2 3.43Å; M657-L666 HydrophobicContact CB-CD1 4.39Å; M657-L666 HydrophobicContact CB-CD2 3.93Å; M657-L666 HydrophobicContact CE-CD1 4.13Å; G662-L666 PolarHBondContact O-N 3.1Å; P663-L666 PolarHBondContact O-N 2.95Å; L666-G668 PolarHBondContact O-N 3.24Å; L666-R669 PolarHBondContact O-N 2.74Å; L666-I670 HydrophobicContact CD1-CD1 4.31Å; L666-I670 HydrophobicContact CG-CD1 3.95Å; L666-I670 WeakPolarHBondContact O-CG1 3.45Å; L666-I670 PolarHBondContact O-N 2.77Å; L666-L686 HydrophobicContact CD2-CD2 3.85Å; L666-L686 HydrophobicContact CG-CD2 4.16Å
667	R	91.4	Very high	91.4	Very high	64 Å²	64	56.2 Å²	56.2	24%	0.242	32%	0.316	C	S	.	.	H	α-helix	trans	-54.8	-52.6	174.2	177	176.1	-75.6	-87	-1	111.5	P663 R669 I670 E671 L686	P663-R667 VanDerWaalsContact O-CB 3.28Å; P663-R667 WeakPolarHBondContact O-CB 3.49Å; P663-R667 PolarHBondContact O-N 3.24Å; R667-R669 PolarHBondContact O-N 2.95Å; R667-I670 PolarHBondContact O-N 2.97Å; R667-I670 VanDerWaalsContact O-N 3.13Å; R667-E671 WeakPolarHBondContact CD-OE1 3.33Å; R667-E671 HydrophobicContact CG-CG 4.25Å; R667-E671 WeakPolarHBondContact CG-OE1 3.47Å; R667-E671 IonicContact NH1-OE1 3.32Å; R667-E671 PolarHBondContact NH1-OE1 2.67Å; R667-E671 WeakPolarHBondContact O-CB 3.36Å; R667-E671 WeakPolarHBondContact O-CG 3.49Å; R667-E671 PolarHBondContact O-N 2.63Å; R667-L686 HydrophobicContact CB-CD1 3.9Å; R667-L686 HydrophobicContact CG-CD1 4.24Å
668	G	91.8	Very high	91.2	Very high	31 Å²	31	56.2 Å²	56.2	32%	0.32	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-34.7	179.4	0	0	0	0	0	112.9	S664 L666 S672	S664-G668 PolarHBondContact O-N 3.38Å; L666-G668 PolarHBondContact O-N 3.24Å; G668-S672 VanDerWaalsContact O-CB 3.31Å; G668-S672 WeakPolarHBondContact O-CB 3.24Å; G668-S672 PolarHBondContact O-N 3.43Å; G668-S672 PolarHBondContact O-OG 3.06Å
669	R	92	Very high	90.9	Very high	77 Å²	77	57.4 Å²	57.4	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-75.2	-32.7	177.9	-163	158.1	-175.4	155.7	0.1	113.5	D629 L632 V665 L666 R667 H673	D629-R669 IonicContact OD1-CZ 2.66Å; D629-R669 IonicContact OD1-NE 3.32Å; D629-R669 PolarHBondContact OD1-NE 3.14Å; D629-R669 IonicContact OD1-NH2 3.44Å; D629-R669 PolarHBondContact OD1-NH2 3Å; D629-R669 IonicContact OD2-CZ 2.92Å; D629-R669 IonicContact OD2-NE 2.75Å; D629-R669 IonicContact OD2-NH2 3.62Å; D629-R669 PolarHBondContact OD2-NH2 2.75Å; L632-R669 HydrophobicContact CD1-CG 4.34Å; V665-R669 PolarHBondContact O-N 3.42Å; V665-R669 VanDerWaalsContact O-N 3.15Å; L666-R669 PolarHBondContact O-N 2.74Å; R667-R669 PolarHBondContact O-N 2.95Å; R669-H673 WeakPolarHBondContact O-CA 3.5Å; R669-H673 WeakPolarHBondContact O-CB 3.46Å; R669-H673 PolarHBondContact O-N 3.14Å; R669-H673 VanDerWaalsContact O-N 3.13Å
670	I	93.4	Very high	90.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71.2	-46.7	173.3	-71.9	164.8	0	0	0	110.5	L632 L654 L666 R667 S672 H673 V678 L682 I683 L686	L632-I670 HydrophobicContact CD1-CG1 3.93Å; L632-I670 HydrophobicContact CD2-CD1 3.98Å; L632-I670 HydrophobicContact CD2-CG1 3.84Å; L632-I670 HydrophobicContact CG-CG1 4.48Å; L654-I670 HydrophobicContact CD2-CD1 4.07Å; L666-I670 HydrophobicContact CD1-CD1 4.31Å; L666-I670 HydrophobicContact CG-CD1 3.95Å; L666-I670 WeakPolarHBondContact O-CG1 3.45Å; L666-I670 PolarHBondContact O-N 2.77Å; R667-I670 PolarHBondContact O-N 2.97Å; R667-I670 VanDerWaalsContact O-N 3.13Å; I670-S672 VanDerWaalsContact C-N 3.3Å; I670-S672 PolarHBondContact O-N 3.07Å; I670-H673 VanDerWaalsContact O-CB 3.27Å; I670-H673 WeakPolarHBondContact O-CB 3.36Å; I670-H673 PolarHBondContact O-N 3.32Å; I670-V678 HydrophobicContact CG2-CG1 4.44Å; I670-L682 HydrophobicContact CD1-CB 4.23Å; I670-L682 HydrophobicContact CG2-CB 4.15Å; I670-I683 HydrophobicContact CG2-CG1 3.77Å; I670-L686 HydrophobicContact CD1-CD1 3.83Å; I670-L686 HydrophobicContact CD1-CD2 3.82Å; I670-L686 HydrophobicContact CD1-CG 4.12Å
671	E	92.2	Very high	90.7	Very high	103 Å²	103	56.6 Å²	56.6	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-33.6	179.5	-73.2	170.8	-178.3	0	0	112.4	R667 I683	R667-E671 WeakPolarHBondContact CD-OE1 3.33Å; R667-E671 HydrophobicContact CG-CG 4.25Å; R667-E671 WeakPolarHBondContact CG-OE1 3.47Å; R667-E671 IonicContact NH1-OE1 3.32Å; R667-E671 PolarHBondContact NH1-OE1 2.67Å; R667-E671 WeakPolarHBondContact O-CB 3.36Å; R667-E671 WeakPolarHBondContact O-CG 3.49Å; R667-E671 PolarHBondContact O-N 2.63Å; E671-I683 HydrophobicContact CG-CD1 3.86Å; E671-I683 HydrophobicContact CG-CG1 4.4Å
672	S	90.3	Very high	90.6	Very high	94 Å²	94	55.4 Å²	55.4	66%	0.657	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	10.2	177.2	63.9	0	0	0	0	114.2	G668 I670	G668-S672 VanDerWaalsContact O-CB 3.31Å; G668-S672 WeakPolarHBondContact O-CB 3.24Å; G668-S672 PolarHBondContact O-N 3.43Å; G668-S672 PolarHBondContact O-OG 3.06Å; I670-S672 VanDerWaalsContact C-N 3.3Å; I670-S672 PolarHBondContact O-N 3.07Å
673	H	92.7	Very high	90.5	Very high	18 Å²	18	56.4 Å²	56.4	8%	0.083	31%	0.314	C	S	.	.			trans	-62	139.2	-178.1	-162.7	-90.2	0	0	0	110.8	D629 E633 R669 I670 N675 V678	D629-H673 PolarHBondContact O-NE2 3.36Å; D629-H673 IonicContact OD1-CD2 2.58Å; E633-H673 IonicContact OE1-CE1 2.72Å; E633-H673 PolarHBondContact OE1-CE1 3.31Å; R669-H673 WeakPolarHBondContact O-CA 3.5Å; R669-H673 WeakPolarHBondContact O-CB 3.46Å; R669-H673 PolarHBondContact O-N 3.14Å; R669-H673 VanDerWaalsContact O-N 3.13Å; I670-H673 VanDerWaalsContact O-CB 3.27Å; I670-H673 WeakPolarHBondContact O-CB 3.36Å; I670-H673 PolarHBondContact O-N 3.32Å; H673-N675 PolarHBondContact ND1-N 2.98Å; H673-N675 VanDerWaalsContact ND1-N 3.16Å; H673-N675 PolarHBondContact ND1-O 3.25Å; H673-N675 PolarHBondContact O-N 3.45Å; H673-V678 HydrophobicContact CB-CB 4.1Å; H673-V678 HydrophobicContact CB-CG1 4.14Å; H673-V678 WeakPolarHBondContact ND1-CG2 3.28Å
674	I	87.8	Confident	90.4	Very high	167 Å²	167	61.3 Å²	61.3	86%	0.856	34%	0.338	S	S	*	.	S	Bend	trans	-61.2	-30.8	-176.8	-165.7	167.8	0	0	0	112.4
675	N	87.5	Confident	90.2	Very high	65 Å²	65	60 Å²	60	35%	0.348	33%	0.325	S	S	.	.	S	Bend	trans	-98.5	108.8	176	-171.1	-7.7	0	0	0	110.2	H673 F677 V678	H673-N675 PolarHBondContact ND1-N 2.98Å; H673-N675 VanDerWaalsContact ND1-N 3.16Å; H673-N675 PolarHBondContact ND1-O 3.25Å; H673-N675 PolarHBondContact O-N 3.45Å; N675-F677 PolarHBondContact O-N 2.92Å; N675-F677 VanDerWaalsContact O-N 3.13Å; N675-F677 WeakPolarHBondContact OD1-CB 3.36Å; N675-F677 PolarHBondContact OD1-N 3.29Å; N675-V678 HydrophobicContact CB-CG2 4.39Å; N675-V678 WeakPolarHBondContact O-CB 3.49Å; N675-V678 PolarHBondContact O-N 3.33Å
676	A	89.2	Confident	89.7	Confident	59 Å²	59	56.9 Å²	56.9	49%	0.488	31%	0.305	S	S	.	.	H	α-helix	trans	-56.9	-27.6	-179.3	0	0	0	0	0	113.2	V678 S679 E680	A676-V678 PolarHBondContact O-N 3.18Å; A676-S679 WeakPolarHBondContact O-CB 3.26Å; A676-S679 PolarHBondContact O-N 2.95Å; A676-E680 WeakPolarHBondContact O-CG 3.38Å; A676-E680 PolarHBondContact O-N 3.36Å
677	F	91.2	Very high	88.5	Confident	56 Å²	56	59.4 Å²	59.4	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-53.7	-34.8	174.8	174	-102.3	0	0	0	113.2	A636 I637 E640 N675 N681	A636-F677 HydrophobicContact CB-CD1 3.8Å; A636-F677 HydrophobicContact CB-CE1 3.5Å; A636-F677 VanDerWaalsContact CB-CE1 3.5Å; A636-F677 HydrophobicContact CB-CZ 4.37Å; I637-F677 HydrophobicContact CB-CE1 4.5Å; I637-F677 HydrophobicContact CG1-CE1 3.78Å; I637-F677 HydrophobicContact CG1-CZ 4.31Å; E640-F677 HydrophobicContact CB-CE2 3.9Å; E640-F677 HydrophobicContact CB-CZ 3.6Å; E640-F677 HydrophobicContact CG-CE2 3.89Å; E640-F677 HydrophobicContact CG-CZ 4.01Å; N675-F677 PolarHBondContact O-N 2.92Å; N675-F677 VanDerWaalsContact O-N 3.13Å; N675-F677 WeakPolarHBondContact OD1-CB 3.36Å; N675-F677 PolarHBondContact OD1-N 3.29Å; F677-N681 VanDerWaalsContact CD2-ND2 3.33Å; F677-N681 WeakPolarHBondContact CD2-ND2 3.15Å; F677-N681 WeakPolarHBondContact CE2-ND2 3.47Å; F677-N681 WeakPolarHBondContact O-CB 3.46Å; F677-N681 PolarHBondContact O-N 3.36Å; F677-N681 PolarHBondContact O-ND2 3.11Å
678	V	91.6	Very high	87.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-45.2	177.9	174.5	0	0	0	0	111	L632 E633 A636 I670 H673 N675 A676 N681 L682	L632-V678 HydrophobicContact CB-CG1 3.84Å; E633-V678 HydrophobicContact CB-CG2 4.4Å; E633-V678 HydrophobicContact CG-CG2 3.73Å; A636-V678 HydrophobicContact CB-CB 4.39Å; A636-V678 HydrophobicContact CB-CG2 4.09Å; I670-V678 HydrophobicContact CG2-CG1 4.44Å; H673-V678 HydrophobicContact CB-CB 4.1Å; H673-V678 HydrophobicContact CB-CG1 4.14Å; H673-V678 WeakPolarHBondContact ND1-CG2 3.28Å; N675-V678 HydrophobicContact CB-CG2 4.39Å; N675-V678 WeakPolarHBondContact O-CB 3.49Å; N675-V678 PolarHBondContact O-N 3.33Å; A676-V678 PolarHBondContact O-N 3.18Å; V678-N681 PolarHBondContact O-N 2.96Å; V678-L682 HydrophobicContact CG1-CD1 3.89Å; V678-L682 HydrophobicContact CG1-CG 4.44Å; V678-L682 VanDerWaalsContact O-CB 3.3Å; V678-L682 WeakPolarHBondContact O-CB 3.3Å; V678-L682 WeakPolarHBondContact O-CG 3.43Å; V678-L682 PolarHBondContact O-N 3.21Å
679	S	86.4	Confident	86.3	Confident	29 Å²	29	67.2 Å²	67.2	20%	0.203	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-47.8	177.4	-173.3	0	0	0	0	110.9	A676 N681 I683	A676-S679 WeakPolarHBondContact O-CB 3.26Å; A676-S679 PolarHBondContact O-N 2.95Å; S679-N681 VanDerWaalsContact C-N 3.3Å; S679-N681 PolarHBondContact O-N 3.36Å; S679-I683 WeakPolarHBondContact O-CB 3.47Å; S679-I683 VanDerWaalsContact O-CG1 3.23Å; S679-I683 WeakPolarHBondContact O-CG1 3.34Å; S679-I683 PolarHBondContact O-N 3.35Å; S679-I683 WeakPolarHBondContact OG-CD1 3.49Å
680	E	90.3	Very high	86	Confident	146 Å²	146	66.8 Å²	66.8	68%	0.682	38%	0.376	S	S	*	.	H	α-helix	trans	-60.6	-34.3	-179.7	-71.3	174	-180	0	0	113.6	A676	A676-E680 WeakPolarHBondContact O-CG 3.38Å; A676-E680 PolarHBondContact O-N 3.36Å
681	N	91.3	Very high	85.6	Confident	24 Å²	24	70.3 Å²	70.3	13%	0.128	40%	0.396	C	S	.	.	H	α-helix	trans	-95.6	-25.9	-175.7	-81.2	-84	0	0	0	114.5	A636 V639 E640 F677 V678 S679	A636-N681 HydrophobicContact CB-CB 4.04Å; V639-N681 HydrophobicContact CB-CB 4.35Å; V639-N681 HydrophobicContact CG1-CB 4.31Å; E640-N681 PolarHBondContact OE2-OD1 3.29Å; F677-N681 VanDerWaalsContact CD2-ND2 3.33Å; F677-N681 WeakPolarHBondContact CD2-ND2 3.15Å; F677-N681 WeakPolarHBondContact CE2-ND2 3.47Å; F677-N681 WeakPolarHBondContact O-CB 3.46Å; F677-N681 PolarHBondContact O-N 3.36Å; F677-N681 PolarHBondContact O-ND2 3.11Å; V678-N681 PolarHBondContact O-N 2.96Å; S679-N681 VanDerWaalsContact C-N 3.3Å; S679-N681 PolarHBondContact O-N 3.36Å
682	L	93.4	Very high	85.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-107.7	-21.8	-169.8	-59.2	-169.9	0	0	0	115	L632 L635 A636 V639 L654 I670 V678 D684 L685	L632-L682 HydrophobicContact CB-CD1 4.38Å; L632-L682 HydrophobicContact CD2-CD1 3.98Å; L632-L682 WeakPolarHBondContact O-CD1 3.49Å; L635-L682 HydrophobicContact CB-CD1 3.92Å; L635-L682 HydrophobicContact CB-CD2 4.17Å; A636-L682 HydrophobicContact CB-CD1 4.24Å; A636-L682 HydrophobicContact CB-CD2 4.23Å; A636-L682 HydrophobicContact CB-CG 4.01Å; V639-L682 HydrophobicContact CB-CD2 4.47Å; V639-L682 HydrophobicContact CG2-CD2 3.79Å; L654-L682 HydrophobicContact CD1-CB 4.21Å; L654-L682 HydrophobicContact CD1-CD1 4.44Å; L654-L682 HydrophobicContact CD1-CD2 4.02Å; L654-L682 HydrophobicContact CD1-CG 4.45Å; L654-L682 HydrophobicContact CD2-CD1 4.28Å; I670-L682 HydrophobicContact CD1-CB 4.23Å; I670-L682 HydrophobicContact CG2-CB 4.15Å; V678-L682 HydrophobicContact CG1-CD1 3.89Å; V678-L682 HydrophobicContact CG1-CG 4.44Å; V678-L682 VanDerWaalsContact O-CB 3.3Å; V678-L682 WeakPolarHBondContact O-CB 3.3Å; V678-L682 WeakPolarHBondContact O-CG 3.43Å; V678-L682 PolarHBondContact O-N 3.21Å; L682-D684 VanDerWaalsContact C-N 3.27Å; L682-D684 PolarHBondContact O-N 3.21Å; L682-L685 HydrophobicContact CD2-CD1 4.43Å; L682-L685 PolarHBondContact O-N 3.34Å; L682-L685 VanDerWaalsContact O-N 3.1Å
683	I	87.4	Confident	85	Confident	43 Å²	43	66.9 Å²	66.9	22%	0.221	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-56.9	-42.7	-174.9	-80.2	177.9	0	0	0	112.1	I670 E671 S679 L685 L686	I670-I683 HydrophobicContact CG2-CG1 3.77Å; E671-I683 HydrophobicContact CG-CD1 3.86Å; E671-I683 HydrophobicContact CG-CG1 4.4Å; S679-I683 WeakPolarHBondContact O-CB 3.47Å; S679-I683 VanDerWaalsContact O-CG1 3.23Å; S679-I683 WeakPolarHBondContact O-CG1 3.34Å; S679-I683 PolarHBondContact O-N 3.35Å; S679-I683 WeakPolarHBondContact OG-CD1 3.49Å; I683-L685 PolarHBondContact O-N 3.42Å; I683-L686 PolarHBondContact O-N 2.83Å
684	D	86.8	Confident	84.5	Confident	149 Å²	149	70 Å²	70	80%	0.797	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-74.8	-13.7	-175.9	-67.9	-21	0	0	0	113.3	L682	L682-D684 VanDerWaalsContact C-N 3.27Å; L682-D684 PolarHBondContact O-N 3.21Å
685	L	86.3	Confident	84.2	Confident	49 Å²	49	63.5 Å²	63.5	26%	0.257	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-91.8	-8.6	176.9	-65.8	176.4	0	0	0	113.2	V639 L654 L682 I683	V639-L685 HydrophobicContact CB-CD1 4.37Å; V639-L685 HydrophobicContact CG1-CD1 4.08Å; V639-L685 HydrophobicContact CG2-CD1 3.34Å; L654-L685 HydrophobicContact CD1-CB 3.94Å; L654-L685 HydrophobicContact CD1-CD1 4.48Å; L682-L685 HydrophobicContact CD2-CD1 4.43Å; L682-L685 PolarHBondContact O-N 3.34Å; L682-L685 VanDerWaalsContact O-N 3.1Å; I683-L685 PolarHBondContact O-N 3.42Å
686	L	79.9	Confident	84	Confident	16 Å²	16	63.4 Å²	63.4	8%	0.084	37%	0.365	C	S	.	.	S	Bend	trans	-74	137.4	177.7	-68.8	173.2	0	0	0	110.6	L654 L666 R667 I670 I683	L654-L686 HydrophobicContact CD2-CD2 4.38Å; L666-L686 HydrophobicContact CD2-CD2 3.85Å; L666-L686 HydrophobicContact CG-CD2 4.16Å; R667-L686 HydrophobicContact CB-CD1 3.9Å; R667-L686 HydrophobicContact CG-CD1 4.24Å; I670-L686 HydrophobicContact CD1-CD1 3.83Å; I670-L686 HydrophobicContact CD1-CD2 3.82Å; I670-L686 HydrophobicContact CD1-CG 4.12Å; I683-L686 PolarHBondContact O-N 2.83Å
687	P	66.9	Low	83.6	Confident	58 Å²	58	63.8 Å²	63.8	38%	0.377	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-58.3	145.9	169.2	23.5	-30.5	0	0	0	110.2	V689	P687-V689 PolarHBondContact O-N 2.96Å
688	P	68.9	Low	83	Confident	122 Å²	122	64.4 Å²	64.4	79%	0.792	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-56.8	138.5	172.4	23.2	-30.9	0	0	0	109.6
689	V	66.7	Low	82.2	Confident	137 Å²	137	70.3 Å²	70.3	83%	0.83	40%	0.397	S	S	*	.			trans	-73.4	0	-176.5	178.9	0	0	0	0	111.3	P687	P687-V689 PolarHBondContact O-N 2.96Å

Retrieved 689 of 689 residues in 559.1 ms (Link to these results)

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