A0A060VW05_ONCMY Loading...

Acyltransferase PGAP2

Involved in the fatty acid remodeling steps of GPI-anchor maturation where the unsaturated acyl chain at sn-2 of inositol phosphate is replaced by a saturated stearoyl chain. May catalyze the second step of the fatty acid remodeling, by reacylating a lyso-GPI intermediate at sn-2 of inositol phosphate by a saturated chain. The fatty acid remodeling steps is critical for the integration of GPI-APs into lipid rafts.

AlphaFold DB , UniProt , Accession A0A060VW05, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110490123, Length 254 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	43	Very low	243 Å²	243	152.8 Å²	152.8	100%	1.197	81%	0.811	S	S	*	*				0	100	0	-139.2	-179.8	-78.6	0	0	106.7
2	L	45	Very low	44.3	Very low	174 Å²	174	152.2 Å²	152.2	91%	0.911	81%	0.808	S	S	*	*			trans	-75	117	174.1	-96.1	100.3	0	0	0	108.6
3	Q	39.6	Very low	46.2	Very low	197 Å²	197	150.7 Å²	150.7	92%	0.921	79%	0.79	S	S	*	*			trans	-163.7	119.6	155.2	-137.5	144.7	-11.7	0	0	110.9
4	G	41	Very low	48.5	Very low	71 Å²	71	143.4 Å²	143.4	73%	0.732	76%	0.756	S	S	*	*			trans	142.4	-3.2	160.8	0	0	0	0	0	118.9	Y6	G4-Y6 VanDerWaalsContact C-N 3.27Å; G4-Y6 PolarHBondContact O-N 3.19Å
5	L	39.8	Very low	50.9	Low	174 Å²	174	141.8 Å²	141.8	91%	0.911	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	17.1	-173.4	-137.4	103	0	0	0	115.8
6	Y	39.7	Very low	53.2	Low	239 Å²	239	139.5 Å²	139.5	94%	0.937	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	18.5	-172.2	-100.1	-86.4	0	0	0	115.1	G4	G4-Y6 VanDerWaalsContact C-N 3.27Å; G4-Y6 PolarHBondContact O-N 3.19Å
7	G	41.4	Very low	55.3	Low	58 Å²	58	140.5 Å²	140.5	60%	0.598	73%	0.726	S	S	*	*	S	Bend	trans	-107.6	-3.5	-171.1	0	0	0	0	0	118.5
8	S	44.4	Very low	57.4	Low	95 Å²	95	136.3 Å²	136.3	66%	0.664	70%	0.704	S	S	*	*	S	Bend	trans	-128.2	4.1	-163.9	86.6	0	0	0	0	117.7
9	L	46.5	Very low	59.3	Low	162 Å²	162	131.8 Å²	131.8	85%	0.848	69%	0.685	S	S	*	*	S	Bend	trans	-98.5	-12.8	-176.3	-90.5	154.3	0	0	0	114.6
10	D	48.2	Very low	61	Low	120 Å²	120	125.6 Å²	125.6	64%	0.642	65%	0.652	S	S	*	*	S	Bend	trans	-105.5	-3.5	-178.4	-127.7	9.3	0	0	0	113.6	K13	D10-K13 VanDerWaalsContact OD1-CD 3.23Å; D10-K13 WeakPolarHBondContact OD1-CD 3.06Å; D10-K13 WeakPolarHBondContact OD1-CE 3.23Å; D10-K13 IonicContact OD1-NZ 2.66Å; D10-K13 PolarHBondContact OD1-NZ 3.44Å
11	R	50.5	Low	62.5	Low	148 Å²	148	120.5 Å²	120.5	56%	0.558	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-14.8	-173.5	-93.6	-179.9	162.1	-166.3	-11.2	115.2	E250	R11-E250 IonicContact NH2-OE2 3.92Å; R11-E250 PolarHBondContact NH2-OE2 2.9Å
12	D	58.2	Low	65.2	Low	145 Å²	145	113.1 Å²	113.1	78%	0.775	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	17.3	-176.4	-63.8	-34.4	0	0	0	113.1	P14	D12-P14 WeakPolarHBondContact O-CD 3.37Å
13	K	69.3	Low	67.6	Low	133 Å²	133	106.3 Å²	106.3	58%	0.578	56%	0.555	S	S	*	*			trans	-72.2	121.3	176	-76.9	-174.8	-176.7	161.8	0	109.4	D10 L15	D10-K13 VanDerWaalsContact OD1-CD 3.23Å; D10-K13 WeakPolarHBondContact OD1-CD 3.06Å; D10-K13 WeakPolarHBondContact OD1-CE 3.23Å; D10-K13 IonicContact OD1-NZ 2.66Å; D10-K13 PolarHBondContact OD1-NZ 3.44Å; K13-L15 PolarHBondContact O-N 2.66Å
14	P	77.9	Confident	70.2	Confident	48 Å²	48	97.1 Å²	97.1	31%	0.312	51%	0.513	S	S	.	.			trans	-61.8	133.3	174.7	26	-32.6	0	0	0	109.2	D12 I16 R17 M244 V245 T246	D12-P14 WeakPolarHBondContact O-CD 3.37Å; P14-I16 PolarHBondContact O-N 3.37Å; P14-R17 HydrophobicContact CB-CB 4.46Å; P14-R17 HydrophobicContact CG-CB 4.13Å; P14-M244 HydrophobicContact CB-CB 4.29Å; P14-M244 HydrophobicContact CB-CG 4.37Å; P14-M244 HydrophobicContact CB-SD 4.31Å; P14-M244 HydrophobicContact CG-SD 4.34Å; P14-V245 CarbonylContact C-O 3.52Å; P14-T246 HydrophobicContact CB-CG2 4.4Å
15	L	84.9	Confident	72.8	Confident	120 Å²	120	96.1 Å²	96.1	63%	0.628	49%	0.493	S	S	*	.	S	Bend	trans	-61.6	-38.9	175	-69.8	171.5	0	0	0	110.7	K13 V245 T247	K13-L15 PolarHBondContact O-N 2.66Å; L15-V245 HydrophobicContact CB-CG1 4.49Å; L15-V245 HydrophobicContact CD1-CG1 4.38Å; L15-V245 PolarHBondContact N-O 3.17Å; L15-T247 HydrophobicContact CD1-CG2 3.87Å; L15-T247 HydrophobicContact CD2-CG2 4.43Å; L15-T247 HydrophobicContact CG-CG2 4.2Å
16	I	87.9	Confident	75.5	Confident	105 Å²	105	89.5 Å²	89.5	54%	0.538	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.3	176.3	-58.6	176.7	0	0	0	107.5	P14 M244 V245	P14-I16 PolarHBondContact O-N 3.37Å; I16-M244 CarbonylContact O-C 3.58Å; I16-M244 VanDerWaalsContact O-CA 3.27Å; I16-M244 WeakPolarHBondContact O-CA 3.33Å; I16-V245 HydrophobicContact CB-CB 4.17Å; I16-V245 HydrophobicContact CB-CG2 4.21Å; I16-V245 PolarHBondContact N-O 3.22Å; I16-V245 PolarHBondContact O-N 3Å
17	R	89.3	Confident	78.2	Confident	157 Å²	157	78.4 Å²	78.4	59%	0.592	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	117.9	172.9	-174.1	175.1	-172.5	-151.1	-3.2	108.3	P14 E242 M244	P14-R17 HydrophobicContact CB-CB 4.46Å; P14-R17 HydrophobicContact CG-CB 4.13Å; R17-E242 IonicContact CZ-OE1 2.8Å; R17-E242 IonicContact CZ-OE2 3.51Å; R17-E242 IonicContact NE-OE1 3.37Å; R17-E242 PolarHBondContact NE-OE1 2.05Å; R17-E242 IonicContact NE-OE2 3.43Å; R17-E242 PolarHBondContact NE-OE2 3.11Å; R17-E242 IonicContact NH2-OE1 3.86Å; R17-E242 PolarHBondContact NH2-OE1 3.16Å; R17-E242 IonicContact NH2-OE2 3.66Å; R17-E242 PolarHBondContact NH2-OE2 2.77Å; R17-M244 HydrophobicContact CB-CG 4.32Å; R17-M244 HydrophobicContact CG-CG 3.95Å; R17-M244 HydrophobicContact CG-SD 4.28Å
18	L	91.9	Very high	80.9	Confident	64 Å²	64	76.8 Å²	76.8	34%	0.335	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.1	-176.7	-176.6	69.9	0	0	0	109.3	F20 D22 F23 E242 V243	L18-F20 PolarHBondContact O-N 3.09Å; L18-D22 HydrophobicContact CD1-CB 4.06Å; L18-D22 HydrophobicContact CG-CB 4.43Å; L18-F23 HydrophobicContact CD2-CB 3.73Å; L18-F23 HydrophobicContact CD2-CD2 4.02Å; L18-F23 HydrophobicContact CD2-CG 4.38Å; L18-F23 HydrophobicContact CG-CB 4.4Å; L18-E242 CarbonylContact O-C 3.54Å; L18-E242 WeakPolarHBondContact O-CA 3.27Å; L18-V243 PolarHBondContact N-O 2.74Å; L18-V243 PolarHBondContact O-N 2.69Å
19	P	93.9	Very high	83.4	Confident	51 Å²	51	76.2 Å²	76.2	33%	0.331	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	136.9	170.2	-24.5	35.6	0	0	0	110.8	T21 D22 F23	P19-T21 PolarHBondContact O-N 2.89Å; P19-D22 HydrophobicContact CB-CB 4.48Å; P19-D22 PolarHBondContact O-N 3.49Å; P19-D22 VanDerWaalsContact O-N 3.17Å; P19-F23 PolarHBondContact O-N 2.79Å; P19-F23 VanDerWaalsContact O-N 3.16Å
20	F	93.3	Very high	85.9	Confident	8 Å²	8	71.1 Å²	71.1	4%	0.035	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-29.8	-179.2	-167.7	-78	0	0	0	111.5	L18 F23 A24 V91 A94 A234 F238 K241 V243	L18-F20 PolarHBondContact O-N 3.09Å; F20-F23 WeakPolarHBondContact O-CB 3.33Å; F20-F23 PolarHBondContact O-N 2.99Å; F20-A24 HydrophobicContact CD1-CB 4.42Å; F20-A24 HydrophobicContact CE1-CB 4.36Å; F20-A24 WeakPolarHBondContact O-CB 3.49Å; F20-A24 PolarHBondContact O-N 2.69Å; F20-V91 HydrophobicContact CZ-CG2 4.03Å; F20-A94 HydrophobicContact CE2-CB 4.04Å; F20-A94 HydrophobicContact CZ-CB 4.32Å; F20-A234 HydrophobicContact CE1-CB 4.1Å; F20-F238 HydrophobicContact CB-CB 4.05Å; F20-F238 HydrophobicContact CD1-CB 3.29Å; F20-F238 AromaticContact CD1-CD2 3.89Å; F20-F238 HydrophobicContact CD1-CD2 3.89Å; F20-F238 AromaticContact CD1-CG 3.87Å; F20-F238 HydrophobicContact CD1-CG 3.87Å; F20-F238 HydrophobicContact CD2-CB 4.31Å; F20-F238 HydrophobicContact CE1-CB 3.75Å; F20-F238 AromaticContact CE1-CD2 3.36Å; F20-F238 HydrophobicContact CE1-CD2 3.36Å; F20-F238 HydrophobicContact CE1-CE2 4.17Å; F20-F238 AromaticContact CE1-CG 3.79Å; F20-F238 HydrophobicContact CE1-CG 3.79Å; F20-F238 HydrophobicContact CE2-CD2 4.43Å; F20-F238 HydrophobicContact CE2-CG 4.45Å; F20-F238 HydrophobicContact CG-CB 3.62Å; F20-F238 HydrophobicContact CG-CG 4.25Å; F20-F238 HydrophobicContact CZ-CB 4.4Å; F20-F238 AromaticContact CZ-CD2 3.66Å; F20-F238 HydrophobicContact CZ-CD2 3.66Å; F20-F238 HydrophobicContact CZ-CE2 4.07Å; F20-F238 HydrophobicContact CZ-CG 4.08Å; F20-K241 HydrophobicContact CB-CB 4.15Å; F20-K241 VanDerWaalsContact CB-O 3.26Å; F20-K241 WeakPolarHBondContact CB-O 3.43Å; F20-K241 PolarHBondContact N-O 3.04Å; F20-V243 HydrophobicContact CD2-CG2 3.73Å; F20-V243 HydrophobicContact CE2-CG2 4.35Å; F20-V243 HydrophobicContact CG-CG2 4.49Å
21	T	93.1	Very high	88.2	Confident	19 Å²	19	65.5 Å²	65.5	12%	0.117	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-50.7	173.9	50.3	0	0	0	0	111.8	P19 F23 A24 V25 F235	P19-T21 PolarHBondContact O-N 2.89Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.19Å; T21-A24 PolarHBondContact O-N 3.45Å; T21-V25 VanDerWaalsContact O-CG2 3.32Å; T21-V25 WeakPolarHBondContact O-CG2 3.43Å; T21-V25 PolarHBondContact O-N 2.79Å; T21-F235 HydrophobicContact CG2-CD2 3.72Å; T21-F235 HydrophobicContact CG2-CE2 3.74Å; T21-F235 HydrophobicContact CG2-CG 4.18Å; T21-F235 HydrophobicContact CG2-CZ 4.19Å
22	D	94.3	Very high	90.5	Very high	87 Å²	87	60.8 Å²	60.8	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-67.9	-39	-176.9	-60.8	-7.9	0	0	0	110.3	L18 P19 V25 G26	L18-D22 HydrophobicContact CD1-CB 4.06Å; L18-D22 HydrophobicContact CG-CB 4.43Å; P19-D22 HydrophobicContact CB-CB 4.48Å; P19-D22 PolarHBondContact O-N 3.49Å; P19-D22 VanDerWaalsContact O-N 3.17Å; D22-V25 PolarHBondContact O-N 2.93Å; D22-G26 PolarHBondContact O-N 3.22Å
23	F	94.6	Very high	92.4	Very high	31 Å²	31	58 Å²	58	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-47.2	172.2	-179.4	-105.1	0	0	0	112.3	L18 P19 F20 T21 T27 P87 L90 V91 V243	L18-F23 HydrophobicContact CD2-CB 3.73Å; L18-F23 HydrophobicContact CD2-CD2 4.02Å; L18-F23 HydrophobicContact CD2-CG 4.38Å; L18-F23 HydrophobicContact CG-CB 4.4Å; P19-F23 PolarHBondContact O-N 2.79Å; P19-F23 VanDerWaalsContact O-N 3.16Å; F20-F23 WeakPolarHBondContact O-CB 3.33Å; F20-F23 PolarHBondContact O-N 2.99Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.19Å; F23-T27 WeakPolarHBondContact O-CB 3.48Å; F23-T27 PolarHBondContact O-N 3.26Å; F23-T27 PolarHBondContact O-OG1 3.16Å; F23-P87 HydrophobicContact CE1-CB 4.12Å; F23-P87 HydrophobicContact CE2-CB 3.93Å; F23-P87 HydrophobicContact CE2-CG 4.22Å; F23-P87 HydrophobicContact CZ-CB 3.51Å; F23-P87 HydrophobicContact CZ-CG 4.23Å; F23-L90 HydrophobicContact CE1-CD2 3.9Å; F23-L90 HydrophobicContact CZ-CB 4.32Å; F23-L90 HydrophobicContact CZ-CD1 4.1Å; F23-L90 HydrophobicContact CZ-CD2 4.11Å; F23-L90 HydrophobicContact CZ-CG 4.42Å; F23-V91 HydrophobicContact CD1-CG2 4.4Å; F23-V91 HydrophobicContact CE1-CG2 3.88Å; F23-V243 HydrophobicContact CB-CG2 4.29Å; F23-V243 HydrophobicContact CD1-CG2 4.08Å; F23-V243 HydrophobicContact CG-CG2 4.07Å
24	A	94.1	Very high	93.7	Very high	5 Å²	5	51.6 Å²	51.6	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-44.6	178.8	0	0	0	0	0	111.9	F20 T21 T27 V28 M232	F20-A24 HydrophobicContact CD1-CB 4.42Å; F20-A24 HydrophobicContact CE1-CB 4.36Å; F20-A24 WeakPolarHBondContact O-CB 3.49Å; F20-A24 PolarHBondContact O-N 2.69Å; T21-A24 PolarHBondContact O-N 3.45Å; A24-T27 WeakPolarHBondContact O-CB 3.26Å; A24-T27 PolarHBondContact O-N 2.88Å; A24-V28 PolarHBondContact O-N 3.43Å; A24-M232 HydrophobicContact CB-CE 4.05Å
25	V	96.1	Very high	94.7	Very high	50 Å²	50	49.5 Å²	49.5	30%	0.303	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-51.7	176.9	171.9	0	0	0	0	110.2	T21 D22 T27 V28 L29 M232 F235	T21-V25 VanDerWaalsContact O-CG2 3.32Å; T21-V25 WeakPolarHBondContact O-CG2 3.43Å; T21-V25 PolarHBondContact O-N 2.79Å; D22-V25 PolarHBondContact O-N 2.93Å; V25-T27 VanDerWaalsContact C-N 3.27Å; V25-T27 PolarHBondContact O-N 2.93Å; V25-V28 PolarHBondContact O-N 3.01Å; V25-L29 HydrophobicContact CG1-CD1 3.69Å; V25-L29 HydrophobicContact CG1-CG 4.09Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 WeakPolarHBondContact O-CG 3.3Å; V25-L29 PolarHBondContact O-N 3.17Å; V25-M232 HydrophobicContact CB-CE 4.25Å; V25-M232 HydrophobicContact CG2-CE 3.36Å; V25-M232 HydrophobicContact CG2-SD 4.06Å; V25-F235 HydrophobicContact CG2-CD2 4.19Å; V25-F235 HydrophobicContact CG2-CE2 4.46Å
26	G	96.7	Very high	95.4	Very high	34 Å²	34	48.2 Å²	48.2	35%	0.351	26%	0.259	S	S	.	.	H	α-helix	trans	-58	-41.2	179.4	0	0	0	0	0	112.2	D22 L29 L30	D22-G26 PolarHBondContact O-N 3.22Å; G26-L29 PolarHBondContact O-N 2.99Å; G26-L30 WeakPolarHBondContact O-CG 3.07Å; G26-L30 PolarHBondContact O-N 3.07Å; G26-L30 VanDerWaalsContact O-N 3.13Å
27	T	96.4	Very high	95.8	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-55.1	174.6	-59	0	0	0	0	110.9	F23 A24 V25 L29 L30 H84 P87 R88	F23-T27 WeakPolarHBondContact O-CB 3.48Å; F23-T27 PolarHBondContact O-N 3.26Å; F23-T27 PolarHBondContact O-OG1 3.16Å; A24-T27 WeakPolarHBondContact O-CB 3.26Å; A24-T27 PolarHBondContact O-N 2.88Å; V25-T27 VanDerWaalsContact C-N 3.27Å; V25-T27 PolarHBondContact O-N 2.93Å; T27-L29 VanDerWaalsContact C-N 3.33Å; T27-L29 PolarHBondContact O-N 3.48Å; T27-L30 WeakPolarHBondContact O-CB 3.47Å; T27-L30 PolarHBondContact O-N 3.19Å; T27-H84 VanDerWaalsContact CG2-CD2 3.44Å; T27-H84 WeakPolarHBondContact CG2-CD2 3.49Å; T27-H84 PolarHBondContact O-CD2 2.9Å; T27-H84 VanDerWaalsContact O-CD2 3.28Å; T27-P87 HydrophobicContact CG2-CB 3.75Å; T27-P87 WeakPolarHBondContact OG1-CB 3.35Å; T27-R88 HydrophobicContact CG2-CG 3.99Å
28	V	97.3	Very high	96.3	Very high	23 Å²	23	37.1 Å²	37.1	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-39.1	-178.1	172.4	0	0	0	0	111.9	A24 V25 L30 A31 L32 M228 M232	A24-V28 PolarHBondContact O-N 3.43Å; V25-V28 PolarHBondContact O-N 3.01Å; V28-L30 VanDerWaalsContact C-N 3.32Å; V28-L30 PolarHBondContact O-N 3.45Å; V28-A31 PolarHBondContact O-N 2.88Å; V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 PolarHBondContact O-N 2.89Å; V28-M228 HydrophobicContact CG1-CB 4.05Å; V28-M232 HydrophobicContact CB-SD 4.16Å; V28-M232 HydrophobicContact CG2-CB 4.45Å; V28-M232 HydrophobicContact CG2-SD 3.99Å
29	L	97.6	Very high	96.6	Very high	84 Å²	84	35.1 Å²	35.1	44%	0.44	21%	0.206	S	C	.	.	H	α-helix	trans	-61.3	-37.8	178.2	-74.5	178.3	0	0	0	112.5	V25 G26 T27 A31 L32 T33	V25-L29 HydrophobicContact CG1-CD1 3.69Å; V25-L29 HydrophobicContact CG1-CG 4.09Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 WeakPolarHBondContact O-CG 3.3Å; V25-L29 PolarHBondContact O-N 3.17Å; G26-L29 PolarHBondContact O-N 2.99Å; T27-L29 VanDerWaalsContact C-N 3.33Å; T27-L29 PolarHBondContact O-N 3.48Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 2.85Å; L29-L32 HydrophobicContact CD2-CD2 4.43Å; L29-L32 PolarHBondContact O-N 3.26Å; L29-T33 WeakPolarHBondContact O-CB 3.32Å; L29-T33 PolarHBondContact O-N 3.21Å; L29-T33 PolarHBondContact O-OG1 3.28Å; L29-T33 VanDerWaalsContact O-OG1 3.05Å
30	L	97.4	Very high	96.8	Very high	54 Å²	54	35.9 Å²	35.9	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-56.3	-48.5	175.6	-73.2	167.1	0	0	0	111.6	G26 T27 V28 G34 C80 L83 H84	G26-L30 WeakPolarHBondContact O-CG 3.07Å; G26-L30 PolarHBondContact O-N 3.07Å; G26-L30 VanDerWaalsContact O-N 3.13Å; T27-L30 WeakPolarHBondContact O-CB 3.47Å; T27-L30 PolarHBondContact O-N 3.19Å; V28-L30 VanDerWaalsContact C-N 3.32Å; V28-L30 PolarHBondContact O-N 3.45Å; L30-G34 PolarHBondContact O-N 3.39Å; L30-G34 VanDerWaalsContact O-N 3.08Å; L30-C80 WeakPolarHBondContact O-CB 3.44Å; L30-L83 HydrophobicContact CD1-CB 3.9Å; L30-L83 HydrophobicContact CD2-CB 4.47Å; L30-L83 HydrophobicContact CD2-CD1 4.35Å; L30-H84 HydrophobicContact CB-CB 4.24Å
31	A	97.4	Very high	97	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-68.2	-41.4	179.4	0	0	0	0	0	111.9	V28 L29 G34 L35 I81 M228	V28-A31 PolarHBondContact O-N 2.88Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 2.85Å; A31-G34 PolarHBondContact O-N 3.18Å; A31-L35 WeakPolarHBondContact O-CB 3.32Å; A31-L35 PolarHBondContact O-N 2.88Å; A31-I81 HydrophobicContact CB-CD1 3.91Å; A31-M228 HydrophobicContact CB-CE 3.65Å; A31-M228 HydrophobicContact CB-SD 4.48Å
32	L	98.3	Very high	97.3	Very high	48 Å²	48	36.2 Å²	36.2	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-47.6	179.8	-178.6	62.6	0	0	0	112	V28 L29 G34 L35 I36 L225 M228	V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 PolarHBondContact O-N 2.89Å; L29-L32 HydrophobicContact CD2-CD2 4.43Å; L29-L32 PolarHBondContact O-N 3.26Å; L32-G34 VanDerWaalsContact C-N 3.34Å; L32-G34 PolarHBondContact O-N 2.81Å; L32-L35 PolarHBondContact O-N 3.28Å; L32-I36 HydrophobicContact CD1-CD1 3.87Å; L32-I36 HydrophobicContact CD1-CG1 4.25Å; L32-I36 HydrophobicContact CG-CD1 3.87Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.32Å; L32-L225 HydrophobicContact CD1-CD2 3.53Å; L32-M228 HydrophobicContact CB-SD 4.12Å; L32-M228 HydrophobicContact CD1-SD 4.23Å
33	T	98.1	Very high	97.4	Very high	86 Å²	86	34.7 Å²	34.7	53%	0.528	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-43	177.2	-61.7	0	0	0	0	110.9	L29 L35 I36 A37	L29-T33 WeakPolarHBondContact O-CB 3.32Å; L29-T33 PolarHBondContact O-N 3.21Å; L29-T33 PolarHBondContact O-OG1 3.28Å; L29-T33 VanDerWaalsContact O-OG1 3.05Å; T33-L35 VanDerWaalsContact C-N 3.35Å; T33-L35 PolarHBondContact O-N 3.14Å; T33-I36 PolarHBondContact O-N 2.51Å; T33-A37 VanDerWaalsContact O-CB 3.23Å; T33-A37 WeakPolarHBondContact O-CB 3.4Å; T33-A37 PolarHBondContact O-N 3.47Å
34	G	98.1	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-46.8	174.3	0	0	0	0	0	112.2	L30 A31 L32 C38	L30-G34 PolarHBondContact O-N 3.39Å; L30-G34 VanDerWaalsContact O-N 3.08Å; A31-G34 PolarHBondContact O-N 3.18Å; L32-G34 VanDerWaalsContact C-N 3.34Å; L32-G34 PolarHBondContact O-N 2.81Å; G34-C38 WeakPolarHBondContact O-CB 3.44Å; G34-C38 PolarHBondContact O-N 3.26Å; G34-C38 PolarHBondContact O-SG 2.85Å
35	L	98.1	Very high	97.8	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-50.4	-179.8	-179.2	62	0	0	0	111.8	A31 L32 T33 A37 C38 I39 I64 W77 V224 L225 M228	A31-L35 WeakPolarHBondContact O-CB 3.32Å; A31-L35 PolarHBondContact O-N 2.88Å; L32-L35 PolarHBondContact O-N 3.28Å; T33-L35 VanDerWaalsContact C-N 3.35Å; T33-L35 PolarHBondContact O-N 3.14Å; L35-A37 PolarHBondContact O-N 2.96Å; L35-C38 PolarHBondContact O-N 3.19Å; L35-I39 HydrophobicContact CD1-CD1 3.78Å; L35-I39 HydrophobicContact CD1-CG1 4.31Å; L35-I39 HydrophobicContact CG-CD1 3.87Å; L35-I39 WeakPolarHBondContact O-CG1 3.05Å; L35-I39 PolarHBondContact O-N 3.39Å; L35-I64 HydrophobicContact CD1-CD1 4.25Å; L35-I64 HydrophobicContact CD1-CG1 4.24Å; L35-I64 HydrophobicContact CD1-CG2 4.02Å; L35-W77 HydrophobicContact CB-CZ3 3.86Å; L35-W77 HydrophobicContact CD1-CZ3 4.42Å; L35-V224 HydrophobicContact CD2-CG1 4.07Å; L35-L225 HydrophobicContact CD2-CD2 4.48Å; L35-M228 HydrophobicContact CD2-CE 4.18Å
36	I	98.5	Very high	97.8	Very high	92 Å²	92	45.8 Å²	45.8	47%	0.472	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-46.2	-179.4	-67.9	170.5	0	0	0	110.1	L32 T33 C38 I39 V40	L32-I36 HydrophobicContact CD1-CD1 3.87Å; L32-I36 HydrophobicContact CD1-CG1 4.25Å; L32-I36 HydrophobicContact CG-CD1 3.87Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.32Å; T33-I36 PolarHBondContact O-N 2.51Å; I36-C38 VanDerWaalsContact C-N 3.34Å; I36-C38 PolarHBondContact O-N 2.88Å; I36-I39 PolarHBondContact O-N 3.46Å; I36-V40 HydrophobicContact CG2-CG2 4.11Å; I36-V40 WeakPolarHBondContact O-CB 3.21Å; I36-V40 VanDerWaalsContact O-CG2 3.25Å; I36-V40 WeakPolarHBondContact O-CG2 3.34Å; I36-V40 PolarHBondContact O-N 3.21Å
37	A	98.4	Very high	97.9	Very high	29 Å²	29	47.8 Å²	47.8	24%	0.24	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-45.8	178.9	0	0	0	0	0	111.5	T33 L35 V40 I41 I76	T33-A37 VanDerWaalsContact O-CB 3.23Å; T33-A37 WeakPolarHBondContact O-CB 3.4Å; T33-A37 PolarHBondContact O-N 3.47Å; L35-A37 PolarHBondContact O-N 2.96Å; A37-V40 PolarHBondContact O-N 3.13Å; A37-I41 WeakPolarHBondContact O-CB 3.16Å; A37-I41 WeakPolarHBondContact O-CD1 3.49Å; A37-I41 WeakPolarHBondContact O-CG1 3.45Å; A37-I41 PolarHBondContact O-N 3.02Å; A37-I76 HydrophobicContact CB-CG2 4.08Å
38	C	98.3	Very high	97.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-48.7	178.6	-64.7	0	0	0	0	111.9	G34 L35 I36 V40 I41 S42 I68 E73	G34-C38 WeakPolarHBondContact O-CB 3.44Å; G34-C38 PolarHBondContact O-N 3.26Å; G34-C38 PolarHBondContact O-SG 2.85Å; L35-C38 PolarHBondContact O-N 3.19Å; I36-C38 VanDerWaalsContact C-N 3.34Å; I36-C38 PolarHBondContact O-N 2.88Å; C38-V40 PolarHBondContact O-N 3.41Å; C38-I41 PolarHBondContact O-N 3.13Å; C38-S42 WeakPolarHBondContact O-CB 3.38Å; C38-S42 PolarHBondContact O-N 3.5Å; C38-S42 PolarHBondContact O-OG 3.39Å; C38-S42 VanDerWaalsContact O-OG 3.08Å; C38-I68 HydrophobicContact CB-CG2 4.28Å; C38-E73 HydrophobicContact CB-CB 4.04Å; C38-E73 HydrophobicContact CB-CG 4.32Å; C38-E73 PolarHBondContact SG-O 3.41Å
39	I	98.4	Very high	97.7	Very high	22 Å²	22	57.8 Å²	57.8	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-45.8	179.1	-68.5	168.2	0	0	0	111.1	L35 I36 S42 L43 Y221	L35-I39 HydrophobicContact CD1-CD1 3.78Å; L35-I39 HydrophobicContact CD1-CG1 4.31Å; L35-I39 HydrophobicContact CG-CD1 3.87Å; L35-I39 WeakPolarHBondContact O-CG1 3.05Å; L35-I39 PolarHBondContact O-N 3.39Å; I36-I39 PolarHBondContact O-N 3.46Å; I39-S42 PolarHBondContact O-N 3.2Å; I39-L43 HydrophobicContact CG2-CD1 3.79Å; I39-L43 HydrophobicContact CG2-CG 4.38Å; I39-L43 WeakPolarHBondContact O-CB 3.46Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.5Å; I39-L43 PolarHBondContact O-N 3.09Å; I39-Y221 HydrophobicContact CD1-CD1 4.13Å; I39-Y221 HydrophobicContact CD1-CD2 4.18Å; I39-Y221 HydrophobicContact CD1-CE1 3.83Å; I39-Y221 HydrophobicContact CD1-CE2 3.85Å; I39-Y221 HydrophobicContact CD1-CG 4.31Å; I39-Y221 HydrophobicContact CG1-CE1 4.37Å; I39-Y221 HydrophobicContact CG2-CE2 4.35Å
40	V	98.4	Very high	97.6	Very high	68 Å²	68	53.9 Å²	53.9	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-46.3	-179.3	170.1	0	0	0	0	111	I36 A37 C38 L43 M44	I36-V40 HydrophobicContact CG2-CG2 4.11Å; I36-V40 WeakPolarHBondContact O-CB 3.21Å; I36-V40 VanDerWaalsContact O-CG2 3.25Å; I36-V40 WeakPolarHBondContact O-CG2 3.34Å; I36-V40 PolarHBondContact O-N 3.21Å; A37-V40 PolarHBondContact O-N 3.13Å; C38-V40 PolarHBondContact O-N 3.41Å; V40-L43 PolarHBondContact O-N 3.38Å; V40-M44 HydrophobicContact CG1-CG 4.37Å; V40-M44 HydrophobicContact CG1-SD 3.96Å; V40-M44 WeakPolarHBondContact O-CB 3.26Å; V40-M44 WeakPolarHBondContact O-CG 3.16Å; V40-M44 PolarHBondContact O-N 3Å
41	I	98.4	Very high	97.6	Very high	33 Å²	33	51.9 Å²	51.9	17%	0.169	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-45.5	178.5	-67.3	166.3	0	0	0	110.1	A37 C38 L43 M44 F45 P72 E73 I76	A37-I41 WeakPolarHBondContact O-CB 3.16Å; A37-I41 WeakPolarHBondContact O-CD1 3.49Å; A37-I41 WeakPolarHBondContact O-CG1 3.45Å; A37-I41 PolarHBondContact O-N 3.02Å; C38-I41 PolarHBondContact O-N 3.13Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 2.72Å; I41-M44 PolarHBondContact O-N 3.04Å; I41-F45 HydrophobicContact CB-CD2 4.48Å; I41-F45 HydrophobicContact CG2-CD2 3.99Å; I41-F45 WeakPolarHBondContact O-CB 3.44Å; I41-F45 PolarHBondContact O-N 3.46Å; I41-P72 HydrophobicContact CG2-CG 4.44Å; I41-E73 HydrophobicContact CB-CG 3.82Å; I41-E73 VanDerWaalsContact CG2-CD 3.49Å; I41-E73 HydrophobicContact CG2-CG 3.67Å; I41-I76 HydrophobicContact CD1-CD1 3.42Å; I41-I76 VanDerWaalsContact CD1-CD1 3.42Å
42	S	97.9	Very high	97.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-40.9	177.7	-67	0	0	0	0	112.4	C38 I39 H46 F47 S50 S67 E73	C38-S42 WeakPolarHBondContact O-CB 3.38Å; C38-S42 PolarHBondContact O-N 3.5Å; C38-S42 PolarHBondContact O-OG 3.39Å; C38-S42 VanDerWaalsContact O-OG 3.08Å; I39-S42 PolarHBondContact O-N 3.2Å; S42-H46 CarbonylContact O-C 2.91Å; S42-H46 WeakPolarHBondContact O-CA 3.35Å; S42-H46 PolarHBondContact O-N 3.36Å; S42-F47 WeakPolarHBondContact O-CA 3.47Å; S42-F47 PolarHBondContact O-N 2.95Å; S42-S50 PolarHBondContact O-OG 2.94Å; S42-S67 WeakPolarHBondContact OG-CA 3.42Å; S42-S67 PolarHBondContact OG-O 3.08Å; S42-E73 WeakPolarHBondContact CA-OE1 3.42Å; S42-E73 PolarHBondContact N-OE1 2.86Å; S42-E73 PolarHBondContact OG-OE1 3.1Å
43	L	98.1	Very high	97.4	Very high	56 Å²	56	56.7 Å²	56.7	29%	0.293	28%	0.284	S	S	.	.	H	α-helix	trans	-69.7	-32.5	177.1	-73.9	172.7	0	0	0	113.5	I39 V40 I41 F47 Y60 L61 P62	I39-L43 HydrophobicContact CG2-CD1 3.79Å; I39-L43 HydrophobicContact CG2-CG 4.38Å; I39-L43 WeakPolarHBondContact O-CB 3.46Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.5Å; I39-L43 PolarHBondContact O-N 3.09Å; V40-L43 PolarHBondContact O-N 3.38Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 2.72Å; L43-F47 HydrophobicContact CD2-CD2 4.02Å; L43-F47 HydrophobicContact CD2-CE2 4.15Å; L43-Y60 WeakPolarHBondContact CD2-O 3.43Å; L43-L61 HydrophobicContact CD1-CD2 4.37Å; L43-P62 HydrophobicContact CD2-CG 4.35Å; L43-P62 HydrophobicContact CG-CG 4.47Å
44	M	98	Very high	97.2	Very high	133 Å²	133	58 Å²	58	66%	0.655	28%	0.284	S	S	*	.	H	α-helix	trans	-86.4	-38	-177	-72.7	-169.2	69.2	0	0	113.5	V40 I41	V40-M44 HydrophobicContact CG1-CG 4.37Å; V40-M44 HydrophobicContact CG1-SD 3.96Å; V40-M44 WeakPolarHBondContact O-CB 3.26Å; V40-M44 WeakPolarHBondContact O-CG 3.16Å; V40-M44 PolarHBondContact O-N 3Å; I41-M44 PolarHBondContact O-N 3.04Å
45	F	97.8	Very high	97.1	Very high	142 Å²	142	59 Å²	59	62%	0.623	29%	0.291	S	S	*	.	H	α-helix	trans	-117.7	-23	-167.9	-60.7	-74.3	0	0	0	113.7	I41	I41-F45 HydrophobicContact CB-CD2 4.48Å; I41-F45 HydrophobicContact CG2-CD2 3.99Å; I41-F45 WeakPolarHBondContact O-CB 3.44Å; I41-F45 PolarHBondContact O-N 3.46Å
46	H	96.9	Very high	97	Very high	44 Å²	44	66 Å²	66	20%	0.204	32%	0.324	C	S	.	.			trans	-131	40.4	-177.9	-55.7	127.9	0	0	0	111.9	S42 D48 E49 S50 L70 V71 E73	S42-H46 CarbonylContact O-C 2.91Å; S42-H46 WeakPolarHBondContact O-CA 3.35Å; S42-H46 PolarHBondContact O-N 3.36Å; H46-D48 PolarHBondContact O-N 3.5Å; H46-E49 VanDerWaalsContact CA-OE2 3.32Å; H46-E49 WeakPolarHBondContact CA-OE2 3.26Å; H46-E49 PolarHBondContact O-N 3.4Å; H46-S50 WeakPolarHBondContact O-CB 3.48Å; H46-S50 PolarHBondContact O-N 3.17Å; H46-S50 PolarHBondContact O-OG 3.22Å; H46-L70 HydrophobicContact CB-CD1 3.4Å; H46-L70 VanDerWaalsContact CB-CD1 3.4Å; H46-V71 PolarHBondContact CE1-O 2.84Å; H46-E73 IonicContact CE1-OE1 2.83Å; H46-E73 IonicContact CE1-OE2 3.69Å; H46-E73 IonicContact CG-OE1 3.91Å; H46-E73 IonicContact ND1-OE1 2.65Å; H46-E73 PolarHBondContact ND1-OE1 3.47Å; H46-E73 IonicContact ND1-OE2 2.86Å; H46-E73 PolarHBondContact ND1-OE2 3.19Å
47	F	97.3	Very high	96.9	Very high	75 Å²	75	63.4 Å²	63.4	33%	0.329	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-48.6	-171.1	180	-95.6	0	0	0	111.2	S42 L43 S50 T51 Y60	S42-F47 WeakPolarHBondContact O-CA 3.47Å; S42-F47 PolarHBondContact O-N 2.95Å; L43-F47 HydrophobicContact CD2-CD2 4.02Å; L43-F47 HydrophobicContact CD2-CE2 4.15Å; F47-S50 PolarHBondContact O-OG 2.85Å; F47-T51 HydrophobicContact CD2-CG2 4.21Å; F47-T51 HydrophobicContact CE2-CG2 3.97Å; F47-T51 HydrophobicContact CZ-CG2 4.19Å; F47-T51 WeakPolarHBondContact O-CB 3.39Å; F47-T51 WeakPolarHBondContact O-CG2 3.3Å; F47-T51 PolarHBondContact O-N 3.35Å; F47-T51 PolarHBondContact O-OG1 3.16Å; F47-Y60 HydrophobicContact CZ-CD1 4.17Å
48	D	96	Very high	96.8	Very high	123 Å²	123	65.7 Å²	65.7	66%	0.658	32%	0.324	S	S	*	.	H	α-helix	trans	-66.8	-45.6	-177.7	-66.3	-38.5	0	0	0	111.3	H46 Y52	H46-D48 PolarHBondContact O-N 3.5Å; D48-Y52 WeakPolarHBondContact O-CB 3.32Å; D48-Y52 PolarHBondContact O-N 3.34Å; D48-Y52 VanDerWaalsContact O-N 3.09Å
49	E	95.2	Very high	96.7	Very high	118 Å²	118	66 Å²	66	55%	0.551	33%	0.326	S	S	*	.	H	α-helix	trans	-68.4	-37.7	179.8	-61	91.3	168.8	0	0	112.7	H46 L70	H46-E49 VanDerWaalsContact CA-OE2 3.32Å; H46-E49 WeakPolarHBondContact CA-OE2 3.26Å; H46-E49 PolarHBondContact O-N 3.4Å; E49-L70 HydrophobicContact CB-CD1 3.92Å
50	S	95.7	Very high	96.7	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.014	35%	0.345	C	S	.	.	H	α-helix	trans	-79.8	-26.5	-175.6	69.5	0	0	0	0	113.2	S42 H46 F47 P62 A66	S42-S50 PolarHBondContact O-OG 2.94Å; H46-S50 WeakPolarHBondContact O-CB 3.48Å; H46-S50 PolarHBondContact O-N 3.17Å; H46-S50 PolarHBondContact O-OG 3.22Å; F47-S50 PolarHBondContact O-OG 2.85Å; S50-P62 WeakPolarHBondContact O-CA 3Å; S50-P62 WeakPolarHBondContact O-CB 3.39Å; S50-A66 WeakPolarHBondContact O-CB 3.47Å
51	T	97	Very high	96.7	Very high	11 Å²	11	70.1 Å²	70.1	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-96	-4.3	176.2	64.1	0	0	0	0	113.4	F47	F47-T51 HydrophobicContact CD2-CG2 4.21Å; F47-T51 HydrophobicContact CE2-CG2 3.97Å; F47-T51 HydrophobicContact CZ-CG2 4.19Å; F47-T51 WeakPolarHBondContact O-CB 3.39Å; F47-T51 WeakPolarHBondContact O-CG2 3.3Å; F47-T51 PolarHBondContact O-N 3.35Å; F47-T51 PolarHBondContact O-OG1 3.16Å
52	Y	95.4	Very high	96.6	Very high	141 Å²	141	68.5 Å²	68.5	55%	0.553	33%	0.328	S	S	*	.			trans	-60.5	136.1	178.6	-177.7	-97.4	0	0	0	112.4	D48 Q56	D48-Y52 WeakPolarHBondContact O-CB 3.32Å; D48-Y52 PolarHBondContact O-N 3.34Å; D48-Y52 VanDerWaalsContact O-N 3.09Å; Y52-Q56 HydrophobicContact CE2-CG 4.15Å
53	T	95.4	Very high	96.6	Very high	11 Å²	11	68.8 Å²	68.8	7%	0.067	33%	0.33	C	S	.	.			trans	-137.5	158.3	168.8	71.4	0	0	0	0	109.9	C55 Q56 H204 Y213	T53-C55 PolarHBondContact O-N 3.33Å; T53-Q56 PolarHBondContact O-N 3.48Å; T53-H204 PolarHBondContact OG1-NE2 2.99Å; T53-H204 VanDerWaalsContact OG1-NE2 3.09Å; T53-Y213 HydrophobicContact CG2-CD1 3.55Å; T53-Y213 HydrophobicContact CG2-CD2 3.94Å; T53-Y213 HydrophobicContact CG2-CE1 3.81Å; T53-Y213 HydrophobicContact CG2-CE2 4.18Å; T53-Y213 HydrophobicContact CG2-CG 3.62Å
54	H	94.3	Very high	96.6	Very high	115 Å²	115	66.9 Å²	66.9	53%	0.532	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.6	177.2	71.3	-77.5	0	0	0	114.2	Q56 N205	H54-Q56 VanDerWaalsContact C-N 3.28Å; H54-Q56 PolarHBondContact O-N 3.45Å; H54-N205 PolarHBondContact CE1-OD1 2.86Å
55	C	95.6	Very high	96.4	Very high	20 Å²	20	61.6 Å²	61.6	14%	0.135	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.2	177.5	-71	0	0	0	0	113.7	T53 V57 C208	T53-C55 PolarHBondContact O-N 3.33Å; C55-V57 HydrophobicContact CB-CG2 3.99Å; C55-V57 PolarHBondContact O-N 3.08Å; C55-V57 VanDerWaalsContact O-N 3.1Å; C55-C208 HydrophobicContact CB-CB 3.48Å; C55-C208 VanDerWaalsContact CB-CB 3.48Å; C55-C208 WeakPolarHBondContact CB-SG 3.34Å; C55-C208 WeakPolarHBondContact SG-CA 2.99Å; C55-C208 WeakPolarHBondContact SG-CB 3.41Å; C55-C208 CovalentContact SG-SG 2.05Å; C55-C208 PolarHBondContact SG-SG 3.28Å
56	Q	95.4	Very high	96.3	Very high	151 Å²	151	55.9 Å²	55.9	71%	0.706	28%	0.275	S	S	*	.			trans	52.7	32.5	-179.7	-58.5	-177.4	-20.5	0	0	114.1	Y52 T53 H54	Y52-Q56 HydrophobicContact CE2-CG 4.15Å; T53-Q56 PolarHBondContact O-N 3.48Å; H54-Q56 VanDerWaalsContact C-N 3.28Å; H54-Q56 PolarHBondContact O-N 3.45Å
57	V	96.6	Very high	96.3	Very high	37 Å²	37	53.8 Å²	53.8	22%	0.224	27%	0.265	C	S	.	.			trans	-101.8	152.9	174.7	-64.6	0	0	0	0	111.3	C55 N59 C208 P210	C55-V57 HydrophobicContact CB-CG2 3.99Å; C55-V57 PolarHBondContact O-N 3.08Å; C55-V57 VanDerWaalsContact O-N 3.1Å; V57-N59 PolarHBondContact O-N 3.36Å; V57-N59 PolarHBondContact O-ND2 3.24Å; V57-C208 WeakPolarHBondContact CG1-O 3.19Å; V57-P210 HydrophobicContact CB-CB 4.41Å
58	P	96.3	Very high	96.3	Very high	77 Å²	77	50.5 Å²	50.5	50%	0.5	25%	0.251	S	S	.	.			trans	-56.1	130.5	-179.8	-26.8	33.9	0	0	0	113.6	I211	P58-I211 PolarHBondContact O-N 3.09Å
59	N	97.4	Very high	96.1	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.037	22%	0.221	C	C	.	.			trans	-138.8	153	172.3	-67.7	-63.4	0	0	0	110	V57 Y213 T214	V57-N59 PolarHBondContact O-N 3.36Å; V57-N59 PolarHBondContact O-ND2 3.24Å; N59-Y213 WeakPolarHBondContact OD1-CB 3.29Å; N59-T214 VanDerWaalsContact CA-OG1 3.31Å; N59-T214 WeakPolarHBondContact CA-OG1 3.43Å; N59-T214 PolarHBondContact OD1-N 3.48Å; N59-T214 PolarHBondContact OD1-OG1 3.04Å
60	Y	97.6	Very high	96	Very high	133 Å²	133	41.3 Å²	41.3	52%	0.522	21%	0.206	S	C	.	.	S	Bend	trans	-124.8	-11.8	-171.8	-57.8	-75.4	0	0	0	114	L43 F47 I211 T214	L43-Y60 WeakPolarHBondContact CD2-O 3.43Å; F47-Y60 HydrophobicContact CZ-CD1 4.17Å; Y60-I211 HydrophobicContact CD2-CG1 4.25Å; Y60-I211 HydrophobicContact CE2-CD1 4.26Å; Y60-I211 HydrophobicContact CE2-CG1 3.88Å; Y60-T214 PolarHBondContact N-OG1 3.05Å
61	L	98	Very high	96	Very high	43 Å²	43	45 Å²	45	23%	0.225	23%	0.228	C	C	.	.	S	Bend	trans	-126.5	129.4	174.7	-66.4	175.2	0	0	0	109.6	L43 T214 A217 L218 Y221	L43-L61 HydrophobicContact CD1-CD2 4.37Å; L61-T214 HydrophobicContact CB-CG2 3.8Å; L61-T214 HydrophobicContact CD1-CG2 3.9Å; L61-T214 HydrophobicContact CG-CG2 3.74Å; L61-A217 HydrophobicContact CB-CB 4Å; L61-L218 HydrophobicContact CD1-CB 4.06Å; L61-L218 HydrophobicContact CD1-CD1 4.49Å; L61-Y221 HydrophobicContact CD1-CE2 4.43Å; L61-Y221 HydrophobicContact CD2-CE2 4.38Å
62	P	97.6	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.			trans	-74.1	147.5	173.6	30.6	-35.5	0	0	0	111	L43 S50 A66 S67 A217 Y221	L43-P62 HydrophobicContact CD2-CG 4.35Å; L43-P62 HydrophobicContact CG-CG 4.47Å; S50-P62 WeakPolarHBondContact O-CA 3Å; S50-P62 WeakPolarHBondContact O-CB 3.39Å; P62-A66 HydrophobicContact CB-CB 4.27Å; P62-S67 VanDerWaalsContact CG-OG 3.28Å; P62-S67 WeakPolarHBondContact CG-OG 3.41Å; P62-A217 WeakPolarHBondContact O-CB 2.97Å; P62-Y221 WeakPolarHBondContact O-CE1 3.37Å; P62-Y221 VanDerWaalsContact O-CZ 3.26Å; P62-Y221 PolarHBondContact O-OH 3.47Å
63	S	97.3	Very high	96.1	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	22%	0.217	C	C	.	.			trans	-61.6	160.6	167.2	56.2	0	0	0	0	110.7	S65 A66 S67 Y213 E220	S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 2.92Å; S63-A66 PolarHBondContact O-N 3.21Å; S63-A66 VanDerWaalsContact O-N 3.17Å; S63-A66 WeakPolarHBondContact OG-CB 3.27Å; S63-A66 PolarHBondContact OG-N 3.47Å; S63-S67 PolarHBondContact O-N 3.1Å; S63-S67 PolarHBondContact O-OG 3.22Å; S63-Y213 WeakPolarHBondContact CB-OH 3.35Å; S63-Y213 PolarHBondContact OG-OH 3.33Å; S63-Y213 VanDerWaalsContact OG-OH 3.06Å; S63-E220 WeakPolarHBondContact CA-OE2 3.37Å; S63-E220 WeakPolarHBondContact CB-OE2 3.11Å
64	I	97.1	Very high	96.1	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-44.3	176.4	-63.5	-179.2	0	0	0	109.5	L35 A66 S67 I68 E220 Y221 V224	L35-I64 HydrophobicContact CD1-CD1 4.25Å; L35-I64 HydrophobicContact CD1-CG1 4.24Å; L35-I64 HydrophobicContact CD1-CG2 4.02Å; I64-A66 VanDerWaalsContact C-N 3.27Å; I64-A66 PolarHBondContact O-N 3.49Å; I64-S67 WeakPolarHBondContact O-CB 3.31Å; I64-S67 PolarHBondContact O-N 3.17Å; I64-S67 VanDerWaalsContact O-N 3.09Å; I64-I68 HydrophobicContact CG2-CG2 4.24Å; I64-I68 WeakPolarHBondContact O-CG1 3.36Å; I64-I68 PolarHBondContact O-N 3.05Å; I64-E220 HydrophobicContact CD1-CB 4.08Å; I64-E220 HydrophobicContact CG1-CB 4.17Å; I64-E220 PolarHBondContact N-OE2 3.03Å; I64-E220 VanDerWaalsContact N-OE2 3.15Å; I64-Y221 HydrophobicContact CD1-CD1 3.97Å; I64-Y221 HydrophobicContact CG1-CD1 3.5Å; I64-Y221 VanDerWaalsContact CG1-CD1 3.5Å; I64-Y221 HydrophobicContact CG1-CE1 3.7Å; I64-V224 HydrophobicContact CD1-CB 3.89Å; I64-V224 HydrophobicContact CD1-CG1 4.49Å; I64-V224 HydrophobicContact CD1-CG2 3.44Å; I64-V224 VanDerWaalsContact CD1-CG2 3.44Å
65	S	95.6	Very high	96.2	Very high	23 Å²	23	43 Å²	43	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-36.9	177.5	-68.9	0	0	0	0	113.1	S63 S69 H142	S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 2.92Å; S65-S69 WeakPolarHBondContact O-CB 3.44Å; S65-S69 PolarHBondContact O-OG 3.39Å; S65-H142 WeakPolarHBondContact CB-NE2 3.22Å; S65-H142 PolarHBondContact OG-NE2 3.34Å
66	A	95.3	Very high	96.3	Very high	21 Å²	21	44.6 Å²	44.6	17%	0.174	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-45.3	173.8	0	0	0	0	0	111.2	S50 P62 S63 I64 I68 S69	S50-A66 WeakPolarHBondContact O-CB 3.47Å; P62-A66 HydrophobicContact CB-CB 4.27Å; S63-A66 PolarHBondContact O-N 3.21Å; S63-A66 VanDerWaalsContact O-N 3.17Å; S63-A66 WeakPolarHBondContact OG-CB 3.27Å; S63-A66 PolarHBondContact OG-N 3.47Å; I64-A66 VanDerWaalsContact C-N 3.27Å; I64-A66 PolarHBondContact O-N 3.49Å; A66-I68 VanDerWaalsContact C-N 3.27Å; A66-I68 PolarHBondContact O-N 2.83Å; A66-S69 PolarHBondContact O-N 2.96Å; A66-S69 VanDerWaalsContact O-N 3.14Å
67	S	96.8	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-32.3	-177.2	-50.7	0	0	0	0	113.4	S42 P62 S63 I64 E73	S42-S67 WeakPolarHBondContact OG-CA 3.42Å; S42-S67 PolarHBondContact OG-O 3.08Å; P62-S67 VanDerWaalsContact CG-OG 3.28Å; P62-S67 WeakPolarHBondContact CG-OG 3.41Å; S63-S67 PolarHBondContact O-N 3.1Å; S63-S67 PolarHBondContact O-OG 3.22Å; I64-S67 WeakPolarHBondContact O-CB 3.31Å; I64-S67 PolarHBondContact O-N 3.17Å; I64-S67 VanDerWaalsContact O-N 3.09Å; S67-E73 WeakPolarHBondContact O-CB 3.37Å
68	I	96	Very high	96.5	Very high	6 Å²	6	38 Å²	38	3%	0.031	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.5	-178.6	69.5	176.7	0	0	0	113.6	C38 I64 A66 R74 W77 L130	C38-I68 HydrophobicContact CB-CG2 4.28Å; I64-I68 HydrophobicContact CG2-CG2 4.24Å; I64-I68 WeakPolarHBondContact O-CG1 3.36Å; I64-I68 PolarHBondContact O-N 3.05Å; A66-I68 VanDerWaalsContact C-N 3.27Å; A66-I68 PolarHBondContact O-N 2.83Å; I68-R74 VanDerWaalsContact O-CA 3.29Å; I68-R74 WeakPolarHBondContact O-CA 3.44Å; I68-W77 HydrophobicContact CB-CB 4.16Å; I68-W77 HydrophobicContact CB-CD2 4.29Å; I68-W77 HydrophobicContact CB-CG 3.81Å; I68-W77 HydrophobicContact CG2-CB 4.16Å; I68-W77 HydrophobicContact CG2-CD2 3.61Å; I68-W77 HydrophobicContact CG2-CE3 4.05Å; I68-W77 HydrophobicContact CG2-CG 3.65Å; I68-L130 HydrophobicContact CD1-CD1 4.01Å
69	S	93.3	Very high	96.6	Very high	3 Å²	3	41 Å²	41	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-23.7	-172.1	-71.1	0	0	0	0	114.1	S65 A66 R74 S134 S135	S65-S69 WeakPolarHBondContact O-CB 3.44Å; S65-S69 PolarHBondContact O-OG 3.39Å; A66-S69 PolarHBondContact O-N 2.96Å; A66-S69 VanDerWaalsContact O-N 3.14Å; S69-R74 VanDerWaalsContact O-CZ 3.27Å; S69-R74 PolarHBondContact O-NE 3.29Å; S69-R74 PolarHBondContact O-NH2 3.4Å; S69-S134 WeakPolarHBondContact CB-OG 3.32Å; S69-S134 PolarHBondContact OG-OG 3.44Å; S69-S134 VanDerWaalsContact OG-OG 3.08Å; S69-S135 PolarHBondContact OG-OG 2.97Å
70	L	93.2	Very high	96.6	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.236	20%	0.2	C	C	.	.	S	Bend	trans	-84.2	170.4	-179.9	-60.3	176.9	0	0	0	112.1	H46 E49 E73 R74	H46-L70 HydrophobicContact CB-CD1 3.4Å; H46-L70 VanDerWaalsContact CB-CD1 3.4Å; E49-L70 HydrophobicContact CB-CD1 3.92Å; L70-E73 VanDerWaalsContact C-OE2 3.29Å; L70-E73 PolarHBondContact O-N 3.04Å; L70-R74 WeakPolarHBondContact O-CB 3.48Å; L70-R74 PolarHBondContact O-N 3.3Å
71	V	95.1	Very high	96.7	Very high	79 Å²	79	35 Å²	35	48%	0.479	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	129	179.8	172.7	0	0	0	0	108	H46 E73 Y75	H46-V71 PolarHBondContact CE1-O 2.84Å; V71-E73 PolarHBondContact N-OE2 3.2Å; V71-Y75 HydrophobicContact CB-CE2 4.5Å; V71-Y75 HydrophobicContact CG1-CD2 4.11Å; V71-Y75 HydrophobicContact CG1-CE2 3.83Å; V71-Y75 HydrophobicContact CG2-CD2 4.44Å; V71-Y75 HydrophobicContact CG2-CE2 3.88Å
72	P	96.3	Very high	96.6	Very high	59 Å²	59	33.9 Å²	33.9	38%	0.383	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.6	-3.1	16	35.9	-37.2	0	0	0	116.5	I41 R74 Y75 I76	I41-P72 HydrophobicContact CG2-CG 4.44Å; P72-R74 VanDerWaalsContact C-N 3.28Å; P72-R74 PolarHBondContact O-N 3.25Å; P72-Y75 PolarHBondContact O-N 3.23Å; P72-I76 HydrophobicContact CB-CD1 4.43Å; P72-I76 HydrophobicContact CG-CD1 4.36Å; P72-I76 PolarHBondContact O-N 3.4Å
73	E	97.2	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-53.4	-42.7	-171.8	-59.8	97.2	132.7	0	0	112.8	C38 I41 S42 H46 S67 L70 V71 Y75 I76 W77	C38-E73 HydrophobicContact CB-CB 4.04Å; C38-E73 HydrophobicContact CB-CG 4.32Å; C38-E73 PolarHBondContact SG-O 3.41Å; I41-E73 HydrophobicContact CB-CG 3.82Å; I41-E73 VanDerWaalsContact CG2-CD 3.49Å; I41-E73 HydrophobicContact CG2-CG 3.67Å; S42-E73 WeakPolarHBondContact CA-OE1 3.42Å; S42-E73 PolarHBondContact N-OE1 2.86Å; S42-E73 PolarHBondContact OG-OE1 3.1Å; H46-E73 IonicContact CE1-OE1 2.83Å; H46-E73 IonicContact CE1-OE2 3.69Å; H46-E73 IonicContact CG-OE1 3.91Å; H46-E73 IonicContact ND1-OE1 2.65Å; H46-E73 PolarHBondContact ND1-OE1 3.47Å; H46-E73 IonicContact ND1-OE2 2.86Å; H46-E73 PolarHBondContact ND1-OE2 3.19Å; S67-E73 WeakPolarHBondContact O-CB 3.37Å; L70-E73 VanDerWaalsContact C-OE2 3.29Å; L70-E73 PolarHBondContact O-N 3.04Å; V71-E73 PolarHBondContact N-OE2 3.2Å; E73-Y75 VanDerWaalsContact C-N 3.28Å; E73-Y75 PolarHBondContact O-N 2.94Å; E73-I76 PolarHBondContact O-N 2.62Å; E73-W77 WeakPolarHBondContact O-CB 3.47Å; E73-W77 PolarHBondContact O-N 2.77Å
74	R	95.5	Very high	96.6	Very high	39 Å²	39	38.4 Å²	38.4	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-54	-42.8	176.8	-175.6	-170.2	-60.1	-166.8	6.9	112.3	I68 S69 L70 P72 R78 T136 E137	I68-R74 VanDerWaalsContact O-CA 3.29Å; I68-R74 WeakPolarHBondContact O-CA 3.44Å; S69-R74 VanDerWaalsContact O-CZ 3.27Å; S69-R74 PolarHBondContact O-NE 3.29Å; S69-R74 PolarHBondContact O-NH2 3.4Å; L70-R74 WeakPolarHBondContact O-CB 3.48Å; L70-R74 PolarHBondContact O-N 3.3Å; P72-R74 VanDerWaalsContact C-N 3.28Å; P72-R74 PolarHBondContact O-N 3.25Å; R74-R78 VanDerWaalsContact O-CB 3.29Å; R74-R78 WeakPolarHBondContact O-CB 3.34Å; R74-R78 WeakPolarHBondContact O-CG 3.25Å; R74-R78 PolarHBondContact O-N 3.26Å; R74-T136 PolarHBondContact NH2-OG1 2.63Å; R74-E137 IonicContact CZ-OE1 3.88Å; R74-E137 IonicContact NH1-OE1 3.6Å; R74-E137 PolarHBondContact NH1-OE1 3.48Å
75	Y	97.2	Very high	96.6	Very high	139 Å²	139	38.8 Å²	38.8	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-75.4	-39	-179.1	-62.7	-63.1	0	0	0	111.7	V71 P72 E73 R78 F79	V71-Y75 HydrophobicContact CB-CE2 4.5Å; V71-Y75 HydrophobicContact CG1-CD2 4.11Å; V71-Y75 HydrophobicContact CG1-CE2 3.83Å; V71-Y75 HydrophobicContact CG2-CD2 4.44Å; V71-Y75 HydrophobicContact CG2-CE2 3.88Å; P72-Y75 PolarHBondContact O-N 3.23Å; E73-Y75 VanDerWaalsContact C-N 3.28Å; E73-Y75 PolarHBondContact O-N 2.94Å; Y75-R78 PolarHBondContact O-N 2.48Å; Y75-F79 WeakPolarHBondContact O-CB 3.36Å; Y75-F79 PolarHBondContact O-N 3.34Å
76	I	98.1	Very high	96.6	Very high	53 Å²	53	40.8 Å²	40.8	27%	0.272	22%	0.22	S	C	.	.	H	α-helix	trans	-59.2	-50.4	174.1	-63.8	169.1	0	0	0	109.6	A37 I41 P72 E73 F79 C80	A37-I76 HydrophobicContact CB-CG2 4.08Å; I41-I76 HydrophobicContact CD1-CD1 3.42Å; I41-I76 VanDerWaalsContact CD1-CD1 3.42Å; P72-I76 HydrophobicContact CB-CD1 4.43Å; P72-I76 HydrophobicContact CG-CD1 4.36Å; P72-I76 PolarHBondContact O-N 3.4Å; E73-I76 PolarHBondContact O-N 2.62Å; I76-F79 PolarHBondContact O-N 3.03Å; I76-C80 WeakPolarHBondContact O-CB 3.26Å; I76-C80 PolarHBondContact O-N 3.08Å; I76-C80 PolarHBondContact O-SG 2.93Å
77	W	97.9	Very high	96.6	Very high	9 Å²	9	40.9 Å²	40.9	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-50	178.1	-176.4	-111.7	0	0	0	112.3	L35 I68 E73 F79 C80 I81 L127 T131	L35-W77 HydrophobicContact CB-CZ3 3.86Å; L35-W77 HydrophobicContact CD1-CZ3 4.42Å; I68-W77 HydrophobicContact CB-CB 4.16Å; I68-W77 HydrophobicContact CB-CD2 4.29Å; I68-W77 HydrophobicContact CB-CG 3.81Å; I68-W77 HydrophobicContact CG2-CB 4.16Å; I68-W77 HydrophobicContact CG2-CD2 3.61Å; I68-W77 HydrophobicContact CG2-CE3 4.05Å; I68-W77 HydrophobicContact CG2-CG 3.65Å; E73-W77 WeakPolarHBondContact O-CB 3.47Å; E73-W77 PolarHBondContact O-N 2.77Å; W77-F79 VanDerWaalsContact C-N 3.31Å; W77-F79 PolarHBondContact O-N 3.37Å; W77-C80 PolarHBondContact O-N 3.26Å; W77-I81 HydrophobicContact CD2-CG1 3.77Å; W77-I81 VanDerWaalsContact CE2-CG1 3.41Å; W77-I81 HydrophobicContact CE3-CG1 4.11Å; W77-I81 HydrophobicContact CG-CG1 4.4Å; W77-I81 HydrophobicContact CH2-CD1 3.69Å; W77-I81 HydrophobicContact CH2-CG1 3.85Å; W77-I81 HydrophobicContact CZ2-CD1 3.73Å; W77-I81 HydrophobicContact CZ2-CG1 3.49Å; W77-I81 VanDerWaalsContact CZ2-CG1 3.49Å; W77-I81 HydrophobicContact CZ3-CD1 4.1Å; W77-I81 HydrophobicContact CZ3-CG1 4.13Å; W77-I81 WeakPolarHBondContact O-CB 3.37Å; W77-I81 PolarHBondContact O-N 3.45Å; W77-L127 HydrophobicContact CZ2-CD1 4.24Å; W77-T131 PolarHBondContact NE1-OG1 3.43Å
78	R	97.8	Very high	96.7	Very high	42 Å²	42	41.6 Å²	41.6	16%	0.158	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-40.9	178.6	-77.6	173.2	176.6	178.6	-1	112.1	R74 Y75 G82 T131 Y132 E137	R74-R78 VanDerWaalsContact O-CB 3.29Å; R74-R78 WeakPolarHBondContact O-CB 3.34Å; R74-R78 WeakPolarHBondContact O-CG 3.25Å; R74-R78 PolarHBondContact O-N 3.26Å; Y75-R78 PolarHBondContact O-N 2.48Å; R78-G82 WeakPolarHBondContact O-CA 3.32Å; R78-G82 PolarHBondContact O-N 3.02Å; R78-T131 HydrophobicContact CB-CG2 4.42Å; R78-T131 HydrophobicContact CG-CG2 3.91Å; R78-T131 WeakPolarHBondContact CG-O 3.17Å; R78-T131 PolarHBondContact NE-O 2.78Å; R78-Y132 HydrophobicContact CB-CE1 4.3Å; R78-Y132 HydrophobicContact CG-CD1 4.24Å; R78-Y132 HydrophobicContact CG-CE1 4.23Å; R78-Y132 PolarHBondContact NH2-O 2.6Å; R78-Y132 PolarHBondContact O-OH 2.9Å; R78-E137 IonicContact NH2-OE1 3.64Å; R78-E137 PolarHBondContact NH2-OE1 2.74Å; R78-E137 IonicContact NH2-OE2 3.75Å; R78-E137 PolarHBondContact NH2-OE2 2.89Å
79	F	98.1	Very high	96.7	Very high	139 Å²	139	44.2 Å²	44.2	61%	0.61	23%	0.232	S	C	*	.	H	α-helix	trans	-64.3	-52.3	176.6	177.5	-101.5	0	0	0	111.7	Y75 I76 W77 I81 G82 L83	Y75-F79 WeakPolarHBondContact O-CB 3.36Å; Y75-F79 PolarHBondContact O-N 3.34Å; I76-F79 PolarHBondContact O-N 3.03Å; W77-F79 VanDerWaalsContact C-N 3.31Å; W77-F79 PolarHBondContact O-N 3.37Å; F79-I81 PolarHBondContact O-N 3.02Å; F79-G82 PolarHBondContact O-N 3.42Å; F79-L83 HydrophobicContact CD1-CD1 4.28Å; F79-L83 HydrophobicContact CE1-CD1 3.63Å; F79-L83 HydrophobicContact CE2-CD1 3.95Å; F79-L83 HydrophobicContact CE2-CG 4.45Å; F79-L83 HydrophobicContact CZ-CD1 3.45Å; F79-L83 VanDerWaalsContact CZ-CD1 3.45Å; F79-L83 HydrophobicContact CZ-CG 4.4Å; F79-L83 PolarHBondContact O-N 2.97Å
80	C	98.3	Very high	96.9	Very high	13 Å²	13	47.7 Å²	47.7	9%	0.088	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-49.6	179.5	-74.5	0	0	0	0	112.2	L30 I76 W77 L83 H84	L30-C80 WeakPolarHBondContact O-CB 3.44Å; I76-C80 WeakPolarHBondContact O-CB 3.26Å; I76-C80 PolarHBondContact O-N 3.08Å; I76-C80 PolarHBondContact O-SG 2.93Å; W77-C80 PolarHBondContact O-N 3.26Å; C80-L83 PolarHBondContact O-N 3.33Å; C80-H84 VanDerWaalsContact O-CB 3.25Å; C80-H84 WeakPolarHBondContact O-CB 3.31Å; C80-H84 PolarHBondContact O-N 3.28Å
81	I	98.1	Very high	97	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-70.9	-33.2	179.3	-65.6	-55.1	0	0	0	112	A31 W77 F79 H84 S85 L127 L128 T131	A31-I81 HydrophobicContact CB-CD1 3.91Å; W77-I81 HydrophobicContact CD2-CG1 3.77Å; W77-I81 VanDerWaalsContact CE2-CG1 3.41Å; W77-I81 HydrophobicContact CE3-CG1 4.11Å; W77-I81 HydrophobicContact CG-CG1 4.4Å; W77-I81 HydrophobicContact CH2-CD1 3.69Å; W77-I81 HydrophobicContact CH2-CG1 3.85Å; W77-I81 HydrophobicContact CZ2-CD1 3.73Å; W77-I81 HydrophobicContact CZ2-CG1 3.49Å; W77-I81 VanDerWaalsContact CZ2-CG1 3.49Å; W77-I81 HydrophobicContact CZ3-CD1 4.1Å; W77-I81 HydrophobicContact CZ3-CG1 4.13Å; W77-I81 WeakPolarHBondContact O-CB 3.37Å; W77-I81 PolarHBondContact O-N 3.45Å; F79-I81 PolarHBondContact O-N 3.02Å; I81-H84 PolarHBondContact O-N 3.5Å; I81-S85 WeakPolarHBondContact O-CB 3.48Å; I81-S85 PolarHBondContact O-N 3.32Å; I81-L127 HydrophobicContact CD1-CD2 4.36Å; I81-L127 HydrophobicContact CG2-CD2 4.4Å; I81-L127 HydrophobicContact CG2-CG 4.16Å; I81-L128 HydrophobicContact CG2-CD2 4.29Å; I81-T131 HydrophobicContact CB-CG2 3.86Å; I81-T131 HydrophobicContact CG1-CG2 4.43Å; I81-T131 HydrophobicContact CG2-CG2 3.86Å
82	G	97.5	Very high	97.2	Very high	20 Å²	20	42.7 Å²	42.7	21%	0.206	22%	0.223	C	C	.	.	H	α-helix	trans	-56.4	-52.5	172.1	0	0	0	0	0	111.4	R78 F79 S85	R78-G82 WeakPolarHBondContact O-CA 3.32Å; R78-G82 PolarHBondContact O-N 3.02Å; F79-G82 PolarHBondContact O-N 3.42Å; G82-S85 PolarHBondContact O-N 3.16Å; G82-S85 PolarHBondContact O-OG 3.34Å
83	L	97.2	Very high	97.2	Very high	87 Å²	87	42.5 Å²	42.5	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-36.7	176.6	-69.9	178.9	0	0	0	113.2	L30 F79 C80 S85 P87	L30-L83 HydrophobicContact CD1-CB 3.9Å; L30-L83 HydrophobicContact CD2-CB 4.47Å; L30-L83 HydrophobicContact CD2-CD1 4.35Å; F79-L83 HydrophobicContact CD1-CD1 4.28Å; F79-L83 HydrophobicContact CE1-CD1 3.63Å; F79-L83 HydrophobicContact CE2-CD1 3.95Å; F79-L83 HydrophobicContact CE2-CG 4.45Å; F79-L83 HydrophobicContact CZ-CD1 3.45Å; F79-L83 VanDerWaalsContact CZ-CD1 3.45Å; F79-L83 HydrophobicContact CZ-CG 4.4Å; F79-L83 PolarHBondContact O-N 2.97Å; C80-L83 PolarHBondContact O-N 3.33Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 3Å; L83-P87 WeakPolarHBondContact O-CD 3.08Å; L83-P87 WeakPolarHBondContact O-CG 3.37Å
84	H	97	Very high	97.2	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.06	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-28.6	176.6	162.8	-96.8	0	0	0	113.1	T27 L30 C80 I81 P87 R88	T27-H84 VanDerWaalsContact CG2-CD2 3.44Å; T27-H84 WeakPolarHBondContact CG2-CD2 3.49Å; T27-H84 PolarHBondContact O-CD2 2.9Å; T27-H84 VanDerWaalsContact O-CD2 3.28Å; L30-H84 HydrophobicContact CB-CB 4.24Å; C80-H84 VanDerWaalsContact O-CB 3.25Å; C80-H84 WeakPolarHBondContact O-CB 3.31Å; C80-H84 PolarHBondContact O-N 3.28Å; I81-H84 PolarHBondContact O-N 3.5Å; H84-P87 WeakPolarHBondContact O-CD 3.36Å; H84-R88 WeakPolarHBondContact CE1-CG 3.24Å; H84-R88 VanDerWaalsContact NE2-CD 3.27Å; H84-R88 WeakPolarHBondContact NE2-CD 3.29Å; H84-R88 VanDerWaalsContact NE2-CG 3.31Å; H84-R88 WeakPolarHBondContact NE2-CG 3.35Å; H84-R88 WeakPolarHBondContact O-CG 3.19Å; H84-R88 PolarHBondContact O-N 3.31Å; H84-R88 VanDerWaalsContact O-N 3.16Å
85	S	96.2	Very high	97.2	Very high	23 Å²	23	42.5 Å²	42.5	16%	0.161	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-50.5	-169.7	68.6	0	0	0	0	114.3	I81 G82 L83 R88 F89	I81-S85 WeakPolarHBondContact O-CB 3.48Å; I81-S85 PolarHBondContact O-N 3.32Å; G82-S85 PolarHBondContact O-N 3.16Å; G82-S85 PolarHBondContact O-OG 3.34Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 3Å; S85-R88 WeakPolarHBondContact O-CB 3.39Å; S85-R88 PolarHBondContact O-N 3.04Å; S85-R88 VanDerWaalsContact O-N 3.14Å; S85-F89 WeakPolarHBondContact O-CD2 3.31Å; S85-F89 PolarHBondContact O-N 2.95Å; S85-F89 VanDerWaalsContact O-N 3.1Å
86	A	96.1	Very high	97.3	Very high	66 Å²	66	38.1 Å²	38.1	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-61.6	-45.9	-179.7	0	0	0	0	0	112.4	R88 F89 L90	A86-R88 VanDerWaalsContact C-N 3.28Å; A86-R88 PolarHBondContact O-N 3.3Å; A86-F89 PolarHBondContact O-N 3.14Å; A86-L90 PolarHBondContact O-N 3.31Å
87	P	96.5	Very high	97.2	Very high	23 Å²	23	39.5 Å²	39.5	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-54.4	-40.8	171.2	-29	34.8	0	0	0	114.3	F23 T27 L83 H84 F89 L90 V91	F23-P87 HydrophobicContact CE1-CB 4.12Å; F23-P87 HydrophobicContact CE2-CB 3.93Å; F23-P87 HydrophobicContact CE2-CG 4.22Å; F23-P87 HydrophobicContact CZ-CB 3.51Å; F23-P87 HydrophobicContact CZ-CG 4.23Å; T27-P87 HydrophobicContact CG2-CB 3.75Å; T27-P87 WeakPolarHBondContact OG1-CB 3.35Å; L83-P87 WeakPolarHBondContact O-CD 3.08Å; L83-P87 WeakPolarHBondContact O-CG 3.37Å; H84-P87 WeakPolarHBondContact O-CD 3.36Å; P87-F89 PolarHBondContact O-N 3Å; P87-L90 WeakPolarHBondContact O-CB 3.45Å; P87-L90 PolarHBondContact O-N 3.35Å; P87-V91 WeakPolarHBondContact O-CG2 3.38Å; P87-V91 PolarHBondContact O-N 3.45Å
88	R	97.3	Very high	97.1	Very high	14 Å²	14	41.6 Å²	41.6	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-40.9	178.4	-71.5	-79.1	-64.6	151.6	-1.7	113.5	T27 H84 S85 A86 L90 V91 A92 E123 N124 H231	T27-R88 HydrophobicContact CG2-CG 3.99Å; H84-R88 WeakPolarHBondContact CE1-CG 3.24Å; H84-R88 VanDerWaalsContact NE2-CD 3.27Å; H84-R88 WeakPolarHBondContact NE2-CD 3.29Å; H84-R88 VanDerWaalsContact NE2-CG 3.31Å; H84-R88 WeakPolarHBondContact NE2-CG 3.35Å; H84-R88 WeakPolarHBondContact O-CG 3.19Å; H84-R88 PolarHBondContact O-N 3.31Å; H84-R88 VanDerWaalsContact O-N 3.16Å; S85-R88 WeakPolarHBondContact O-CB 3.39Å; S85-R88 PolarHBondContact O-N 3.04Å; S85-R88 VanDerWaalsContact O-N 3.14Å; A86-R88 VanDerWaalsContact C-N 3.28Å; A86-R88 PolarHBondContact O-N 3.3Å; R88-L90 VanDerWaalsContact C-N 3.31Å; R88-V91 PolarHBondContact O-N 3.06Å; R88-A92 PolarHBondContact O-N 3.36Å; R88-E123 IonicContact NH2-OE1 3.19Å; R88-E123 PolarHBondContact NH2-OE1 2.89Å; R88-E123 VanDerWaalsContact NH2-OE1 3.13Å; R88-E123 IonicContact NH2-OE2 2.62Å; R88-N124 VanDerWaalsContact CB-OD1 3.31Å; R88-N124 WeakPolarHBondContact CB-OD1 3.47Å; R88-N124 PolarHBondContact NE-OD1 3.45Å; R88-N124 PolarHBondContact NH2-OD1 2.98Å; R88-H231 PolarHBondContact NH1-CD2 3.47Å; R88-H231 VanDerWaalsContact NH1-CD2 3.29Å; R88-H231 PolarHBondContact NH1-CE1 2.83Å; R88-H231 PolarHBondContact NH1-ND1 2.69Å; R88-H231 PolarHBondContact NH1-NE2 2.84Å; R88-H231 PolarHBondContact NH2-CE1 3.42Å; R88-H231 PolarHBondContact NH2-NE2 3.04Å
89	F	97.8	Very high	97	Very high	62 Å²	62	39.8 Å²	39.8	27%	0.272	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-39.4	173.6	-73.1	-66.6	0	0	0	111.5	S85 A86 P87 A92 A93 L121 N124 V125 L128	S85-F89 WeakPolarHBondContact O-CD2 3.31Å; S85-F89 PolarHBondContact O-N 2.95Å; S85-F89 VanDerWaalsContact O-N 3.1Å; A86-F89 PolarHBondContact O-N 3.14Å; P87-F89 PolarHBondContact O-N 3Å; F89-A92 PolarHBondContact O-N 3.23Å; F89-A93 PolarHBondContact O-N 3.15Å; F89-L121 HydrophobicContact CD1-CD2 3.51Å; F89-L121 HydrophobicContact CE1-CD2 3.9Å; F89-N124 HydrophobicContact CD1-CB 4.34Å; F89-N124 HydrophobicContact CE1-CB 3.68Å; F89-N124 HydrophobicContact CE2-CB 4.23Å; F89-N124 HydrophobicContact CZ-CB 3.61Å; F89-V125 HydrophobicContact CZ-CG2 4.3Å; F89-L128 HydrophobicContact CE2-CD1 3.9Å; F89-L128 HydrophobicContact CZ-CD1 4.13Å
90	L	96.3	Very high	96.8	Very high	76 Å²	76	40.6 Å²	40.6	40%	0.398	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-46	174.2	-169.6	158.9	0	0	0	111.4	F23 A86 P87 R88 A92 A93 A94 V243	F23-L90 HydrophobicContact CE1-CD2 3.9Å; F23-L90 HydrophobicContact CZ-CB 4.32Å; F23-L90 HydrophobicContact CZ-CD1 4.1Å; F23-L90 HydrophobicContact CZ-CD2 4.11Å; F23-L90 HydrophobicContact CZ-CG 4.42Å; A86-L90 PolarHBondContact O-N 3.31Å; P87-L90 WeakPolarHBondContact O-CB 3.45Å; P87-L90 PolarHBondContact O-N 3.35Å; R88-L90 VanDerWaalsContact C-N 3.31Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.81Å; L90-A93 PolarHBondContact O-N 2.68Å; L90-A94 WeakPolarHBondContact O-CB 3.37Å; L90-A94 PolarHBondContact O-N 3.1Å; L90-V243 HydrophobicContact CD1-CG1 4.43Å
91	V	96.6	Very high	96.5	Very high	11 Å²	11	43 Å²	43	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-42.7	176.4	172.2	0	0	0	0	111.1	F20 F23 P87 R88 A93 A94 Y95	F20-V91 HydrophobicContact CZ-CG2 4.03Å; F23-V91 HydrophobicContact CD1-CG2 4.4Å; F23-V91 HydrophobicContact CE1-CG2 3.88Å; P87-V91 WeakPolarHBondContact O-CG2 3.38Å; P87-V91 PolarHBondContact O-N 3.45Å; R88-V91 PolarHBondContact O-N 3.06Å; V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 PolarHBondContact O-N 2.87Å; V91-A94 PolarHBondContact O-N 2.85Å; V91-Y95 HydrophobicContact CG1-CD2 3.68Å; V91-Y95 HydrophobicContact CG1-CE2 3.66Å; V91-Y95 WeakPolarHBondContact O-CD2 3.41Å; V91-Y95 PolarHBondContact O-N 3.37Å
92	A	97.6	Very high	96.3	Very high	8 Å²	8	48.3 Å²	48.3	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-43.2	176.1	0	0	0	0	0	112	R88 F89 L90 F96 L117 A120	R88-A92 PolarHBondContact O-N 3.36Å; F89-A92 PolarHBondContact O-N 3.23Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.81Å; A92-F96 PolarHBondContact O-N 2.94Å; A92-L117 HydrophobicContact CB-CD1 4.14Å; A92-A120 HydrophobicContact CB-CB 3.89Å
93	A	96.9	Very high	96.1	Very high	54 Å²	54	47.9 Å²	47.9	45%	0.446	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-39.4	174.9	0	0	0	0	0	112.5	F89 L90 V91 F96 S97	F89-A93 PolarHBondContact O-N 3.15Å; L90-A93 PolarHBondContact O-N 2.68Å; V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 PolarHBondContact O-N 2.87Å; A93-F96 PolarHBondContact O-N 3.47Å; A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 3.37Å
94	A	96.4	Very high	95.8	Very high	25 Å²	25	47.4 Å²	47.4	21%	0.207	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-46.1	177.1	0	0	0	0	0	111.7	F20 L90 V91 F96 S97 F98	F20-A94 HydrophobicContact CE2-CB 4.04Å; F20-A94 HydrophobicContact CZ-CB 4.32Å; L90-A94 WeakPolarHBondContact O-CB 3.37Å; L90-A94 PolarHBondContact O-N 3.1Å; V91-A94 PolarHBondContact O-N 2.85Å; A94-F96 PolarHBondContact O-N 3.22Å; A94-S97 PolarHBondContact O-N 3.44Å; A94-F98 WeakPolarHBondContact O-CB 3.16Å; A94-F98 PolarHBondContact O-N 3.09Å
95	Y	97.2	Very high	95.5	Very high	15 Å²	15	56.5 Å²	56.5	6%	0.059	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-42.2	173.2	-87.8	-72	0	0	0	112.5	V91 S97 F98 Y99 W164 A234 D237 F238	V91-Y95 HydrophobicContact CG1-CD2 3.68Å; V91-Y95 HydrophobicContact CG1-CE2 3.66Å; V91-Y95 WeakPolarHBondContact O-CD2 3.41Å; V91-Y95 PolarHBondContact O-N 3.37Å; Y95-S97 PolarHBondContact O-N 3.08Å; Y95-F98 WeakPolarHBondContact O-CB 3.23Å; Y95-F98 PolarHBondContact O-N 2.9Å; Y95-Y99 HydrophobicContact CD1-CE1 4.34Å; Y95-Y99 HydrophobicContact CD1-CE2 4.17Å; Y95-Y99 AromaticContact CD1-CZ 3.75Å; Y95-Y99 WeakPolarHBondContact CD1-OH 3.36Å; Y95-Y99 HydrophobicContact CG-CE2 4.49Å; Y95-Y99 WeakPolarHBondContact O-CB 3.37Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.43Å; Y95-Y99 VanDerWaalsContact O-CG 3.23Å; Y95-Y99 PolarHBondContact O-N 3.49Å; Y95-W164 HydrophobicContact CE1-CZ2 4.32Å; Y95-A234 HydrophobicContact CE2-CB 4.11Å; Y95-A234 VanDerWaalsContact OH-CA 3.25Å; Y95-A234 WeakPolarHBondContact OH-CA 3.18Å; Y95-A234 VanDerWaalsContact OH-CB 3.32Å; Y95-A234 WeakPolarHBondContact OH-CB 3.34Å; Y95-A234 PolarHBondContact OH-N 3.24Å; Y95-D237 HydrophobicContact CE1-CB 4.37Å; Y95-D237 VanDerWaalsContact CE1-OD2 3.29Å; Y95-D237 WeakPolarHBondContact CE1-OD2 3.05Å; Y95-D237 PolarHBondContact OH-OD2 2.86Å; Y95-F238 AromaticContact CD1-CE2 3.85Å; Y95-F238 HydrophobicContact CD1-CE2 3.85Å; Y95-F238 AromaticContact CD1-CZ 3.87Å; Y95-F238 HydrophobicContact CD1-CZ 3.87Å; Y95-F238 AromaticContact CD2-CE2 3.95Å; Y95-F238 HydrophobicContact CD2-CE2 3.95Å; Y95-F238 HydrophobicContact CD2-CZ 4.42Å; Y95-F238 AromaticContact CE1-CE2 3.64Å; Y95-F238 HydrophobicContact CE1-CE2 3.64Å; Y95-F238 HydrophobicContact CE1-CZ 4.07Å; Y95-F238 AromaticContact CE2-CE2 3.75Å; Y95-F238 HydrophobicContact CE2-CE2 3.75Å; Y95-F238 HydrophobicContact CG-CE2 4.01Å; Y95-F238 HydrophobicContact CG-CZ 4.07Å; Y95-F238 AromaticContact CZ-CE2 3.61Å
96	F	97.6	Very high	95.2	Very high	46 Å²	46	57 Å²	57	20%	0.202	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-43.5	176.9	177.5	-112.1	0	0	0	112.1	A92 A93 A94 F98 Y99 R100 M110 V114 L117	A92-F96 PolarHBondContact O-N 2.94Å; A93-F96 PolarHBondContact O-N 3.47Å; A94-F96 PolarHBondContact O-N 3.22Å; F96-F98 VanDerWaalsContact C-N 3.34Å; F96-F98 PolarHBondContact O-N 3.37Å; F96-Y99 PolarHBondContact O-N 2.95Å; F96-R100 VanDerWaalsContact O-CB 3.26Å; F96-R100 WeakPolarHBondContact O-CB 3.42Å; F96-R100 PolarHBondContact O-N 3.27Å; F96-M110 HydrophobicContact CE2-CE 4.28Å; F96-M110 HydrophobicContact CZ-CE 4.13Å; F96-V114 HydrophobicContact CE2-CB 4.47Å; F96-V114 HydrophobicContact CE2-CG2 3.73Å; F96-V114 HydrophobicContact CZ-CG2 4.18Å; F96-L117 HydrophobicContact CB-CB 4.21Å; F96-L117 HydrophobicContact CB-CD1 4.13Å; F96-L117 HydrophobicContact CB-CD2 4.09Å; F96-L117 HydrophobicContact CB-CG 4.37Å; F96-L117 HydrophobicContact CD1-CD2 3.91Å; F96-L117 HydrophobicContact CD2-CB 4.06Å; F96-L117 HydrophobicContact CD2-CD2 4.03Å; F96-L117 HydrophobicContact CE1-CD2 4.34Å; F96-L117 HydrophobicContact CE2-CD2 4.47Å; F96-L117 HydrophobicContact CG-CB 4.26Å; F96-L117 HydrophobicContact CG-CD2 3.73Å; F96-L117 HydrophobicContact CG-CG 4.43Å
97	S	96.4	Very high	95	Very high	83 Å²	83	63 Å²	63	58%	0.58	34%	0.336	S	S	*	.	H	α-helix	trans	-60	-44.8	175.1	-174.3	0	0	0	0	111.5	A93 A94 Y95 R100 G101	A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 3.37Å; A94-S97 PolarHBondContact O-N 3.44Å; Y95-S97 PolarHBondContact O-N 3.08Å; S97-R100 PolarHBondContact O-N 2.93Å; S97-G101 PolarHBondContact O-N 3.49Å; S97-G101 VanDerWaalsContact O-N 3.08Å
98	F	95.2	Very high	94.9	Very high	53 Å²	53	66.2 Å²	66.2	23%	0.232	36%	0.357	C	S	.	.	H	α-helix	trans	-59.2	-49.7	175.2	172.7	-102.8	0	0	0	112.1	A94 Y95 F96 G101 R102 W164 I167 F238	A94-F98 WeakPolarHBondContact O-CB 3.16Å; A94-F98 PolarHBondContact O-N 3.09Å; Y95-F98 WeakPolarHBondContact O-CB 3.23Å; Y95-F98 PolarHBondContact O-N 2.9Å; F96-F98 VanDerWaalsContact C-N 3.34Å; F96-F98 PolarHBondContact O-N 3.37Å; F98-G101 PolarHBondContact O-N 3.43Å; F98-R102 PolarHBondContact O-N 3.46Å; F98-R102 VanDerWaalsContact O-N 3.16Å; F98-W164 HydrophobicContact CE1-CH2 4.49Å; F98-W164 HydrophobicContact CE1-CZ2 4.01Å; F98-I167 HydrophobicContact CE1-CD1 3.78Å; F98-I167 HydrophobicContact CZ-CD1 4.32Å; F98-F238 HydrophobicContact CB-CE1 4.05Å; F98-F238 HydrophobicContact CB-CZ 4.18Å; F98-F238 HydrophobicContact CD2-CE1 4.37Å; F98-F238 HydrophobicContact CG-CE1 4.25Å; F98-F238 HydrophobicContact CG-CZ 4.45Å
99	Y	96.1	Very high	94.7	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-65.9	-41	179.5	-64.3	-35.4	0	0	0	112.6	Y95 F96 G101 R102 F103 S113 L163 W164 I167	Y95-Y99 HydrophobicContact CD1-CE1 4.34Å; Y95-Y99 HydrophobicContact CD1-CE2 4.17Å; Y95-Y99 AromaticContact CD1-CZ 3.75Å; Y95-Y99 WeakPolarHBondContact CD1-OH 3.36Å; Y95-Y99 HydrophobicContact CG-CE2 4.49Å; Y95-Y99 WeakPolarHBondContact O-CB 3.37Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.43Å; Y95-Y99 VanDerWaalsContact O-CG 3.23Å; Y95-Y99 PolarHBondContact O-N 3.49Å; F96-Y99 PolarHBondContact O-N 2.95Å; Y99-G101 VanDerWaalsContact C-N 3.29Å; Y99-G101 PolarHBondContact O-N 3.49Å; Y99-R102 PolarHBondContact O-N 3.42Å; Y99-R102 VanDerWaalsContact O-N 3.09Å; Y99-F103 AromaticContact CD1-CE2 3.99Å; Y99-F103 HydrophobicContact CD1-CE2 3.99Å; Y99-F103 HydrophobicContact CG-CE2 4.44Å; Y99-F103 WeakPolarHBondContact O-CB 3.35Å; Y99-F103 VanDerWaalsContact O-CD2 3.29Å; Y99-F103 WeakPolarHBondContact O-CD2 3.34Å; Y99-F103 PolarHBondContact O-N 3.24Å; Y99-S113 WeakPolarHBondContact CB-OG 3.35Å; Y99-L163 HydrophobicContact CD1-CD1 4.4Å; Y99-L163 HydrophobicContact CD2-CD1 3.89Å; Y99-L163 HydrophobicContact CE1-CB 4.49Å; Y99-L163 HydrophobicContact CE1-CD1 4.36Å; Y99-L163 HydrophobicContact CE2-CD1 3.85Å; Y99-L163 HydrophobicContact CG-CD1 4.2Å; Y99-W164 AromaticContact CE1-NE1 3.66Å; Y99-W164 AromaticContact CZ-NE1 3.75Å; Y99-W164 PolarHBondContact OH-NE1 3.31Å; Y99-I167 HydrophobicContact CD1-CD1 4.31Å; Y99-I167 HydrophobicContact CE1-CD1 4.12Å
100	R	94.9	Very high	94.7	Very high	156 Å²	156	65.9 Å²	65.9	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-57.8	-42.7	175.8	176.8	176.4	171.4	170.4	-2	111.4	F96 S97 R102 A104 M110	F96-R100 VanDerWaalsContact O-CB 3.26Å; F96-R100 WeakPolarHBondContact O-CB 3.42Å; F96-R100 PolarHBondContact O-N 3.27Å; S97-R100 PolarHBondContact O-N 2.93Å; R100-R102 VanDerWaalsContact C-N 3.35Å; R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.4Å; R100-A104 VanDerWaalsContact O-N 3.15Å; R100-M110 HydrophobicContact CB-CE 4.13Å; R100-M110 HydrophobicContact CB-SD 4.25Å; R100-M110 HydrophobicContact CG-CE 3.79Å; R100-M110 HydrophobicContact CG-SD 4.24Å
101	G	92.6	Very high	94.7	Very high	63 Å²	63	64.2 Å²	64.2	65%	0.649	36%	0.36	S	S	*	.	H	α-helix	trans	-63.2	-39	175.5	0	0	0	0	0	113	S97 F98 Y99	S97-G101 PolarHBondContact O-N 3.49Å; S97-G101 VanDerWaalsContact O-N 3.08Å; F98-G101 PolarHBondContact O-N 3.43Å; Y99-G101 VanDerWaalsContact C-N 3.29Å; Y99-G101 PolarHBondContact O-N 3.49Å
102	R	91.9	Very high	94.7	Very high	113 Å²	113	66.1 Å²	66.1	43%	0.426	37%	0.369	S	S	.	.	H	α-helix	trans	-78.3	-35.8	-177	-162.6	64.5	152.4	130.2	-3.7	113.5	F98 Y99 R100 I167 F170	F98-R102 PolarHBondContact O-N 3.46Å; F98-R102 VanDerWaalsContact O-N 3.16Å; Y99-R102 PolarHBondContact O-N 3.42Å; Y99-R102 VanDerWaalsContact O-N 3.09Å; R100-R102 VanDerWaalsContact C-N 3.35Å; R102-I167 HydrophobicContact CG-CG1 4.35Å; R102-F170 PolarHBondContact NH2-O 2.91Å
103	F	94.6	Very high	94.7	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.044	37%	0.366	C	S	.	.	H	α-helix	trans	-111.1	14.2	-170.9	-58.4	-60.3	0	0	0	114.1	Y99 K105 S106 D109 L163 V166 I167	Y99-F103 AromaticContact CD1-CE2 3.99Å; Y99-F103 HydrophobicContact CD1-CE2 3.99Å; Y99-F103 HydrophobicContact CG-CE2 4.44Å; Y99-F103 WeakPolarHBondContact O-CB 3.35Å; Y99-F103 VanDerWaalsContact O-CD2 3.29Å; Y99-F103 WeakPolarHBondContact O-CD2 3.34Å; Y99-F103 PolarHBondContact O-N 3.24Å; F103-K105 PolarHBondContact O-N 3.39Å; F103-S106 PolarHBondContact O-N 2.92Å; F103-D109 HydrophobicContact CB-CB 3.89Å; F103-D109 HydrophobicContact CD1-CB 3.53Å; F103-D109 HydrophobicContact CD2-CB 4.25Å; F103-D109 HydrophobicContact CE1-CB 4.05Å; F103-D109 HydrophobicContact CG-CB 3.63Å; F103-L163 HydrophobicContact CD2-CD2 4.2Å; F103-L163 HydrophobicContact CE2-CB 4.23Å; F103-L163 HydrophobicContact CE2-CD2 3.72Å; F103-L163 HydrophobicContact CE2-CG 4.43Å; F103-L163 HydrophobicContact CZ-CB 4.39Å; F103-L163 HydrophobicContact CZ-CD2 4.1Å; F103-V166 HydrophobicContact CE1-CB 4.16Å; F103-V166 HydrophobicContact CE1-CG1 3.92Å; F103-V166 HydrophobicContact CZ-CB 4.39Å; F103-I167 HydrophobicContact CE1-CG1 4.46Å; F103-I167 HydrophobicContact CE2-CD1 4.29Å; F103-I167 HydrophobicContact CE2-CG1 4.33Å; F103-I167 HydrophobicContact CZ-CD1 4.1Å; F103-I167 HydrophobicContact CZ-CG1 3.66Å
104	A	90.6	Very high	94.8	Very high	77 Å²	77	66 Å²	66	64%	0.636	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-28.9	-179.1	0	0	0	0	0	114.6	R100	R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.4Å; R100-A104 VanDerWaalsContact O-N 3.15Å
105	K	89.9	Confident	94.8	Very high	205 Å²	205	68.2 Å²	68.2	89%	0.891	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-7.2	-179.7	-61.1	-176.2	179.9	-179.1	0	114.2	F103	F103-K105 PolarHBondContact O-N 3.39Å
106	S	91.8	Very high	94.9	Very high	33 Å²	33	67.7 Å²	67.7	23%	0.231	37%	0.368	C	S	.	.			trans	-110.9	98.8	-179.7	-177.7	0	0	0	0	109.7	F103 P108 D109 M110	F103-S106 PolarHBondContact O-N 2.92Å; S106-P108 VanDerWaalsContact C-CD 3.49Å; S106-D109 WeakPolarHBondContact CB-OD2 3.37Å; S106-D109 PolarHBondContact O-N 3.13Å; S106-D109 PolarHBondContact OG-OD2 3.48Å; S106-M110 VanDerWaalsContact O-CB 3.28Å; S106-M110 WeakPolarHBondContact O-CB 3.39Å; S106-M110 PolarHBondContact O-N 2.91Å
107	F	90.6	Very high	94.9	Very high	191 Å²	191	67.2 Å²	67.2	84%	0.838	37%	0.368	S	S	*	.	H	α-helix	trans	-50.8	-47.5	175.9	-71.2	-75.1	0	0	0	114.5	M110 G111	F107-M110 PolarHBondContact O-N 3.45Å; F107-G111 PolarHBondContact O-N 2.96Å
108	P	94	Very high	95	Very high	92 Å²	92	67.8 Å²	67.8	60%	0.597	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-42.3	-179	25.2	-33.7	0	0	0	112.5	S106 M110 G111 L112	S106-P108 VanDerWaalsContact C-CD 3.49Å; P108-M110 VanDerWaalsContact C-N 3.34Å; P108-G111 PolarHBondContact O-N 3.13Å; P108-L112 PolarHBondContact O-N 3.07Å
109	D	94.3	Very high	95.2	Very high	20 Å²	20	65.5 Å²	65.5	11%	0.107	35%	0.354	C	S	.	.	H	α-helix	trans	-71.4	-32	-179.9	-59.7	-51.2	0	0	0	111.5	F103 S106 L112 S113 L163	F103-D109 HydrophobicContact CB-CB 3.89Å; F103-D109 HydrophobicContact CD1-CB 3.53Å; F103-D109 HydrophobicContact CD2-CB 4.25Å; F103-D109 HydrophobicContact CE1-CB 4.05Å; F103-D109 HydrophobicContact CG-CB 3.63Å; S106-D109 WeakPolarHBondContact CB-OD2 3.37Å; S106-D109 PolarHBondContact O-N 3.13Å; S106-D109 PolarHBondContact OG-OD2 3.48Å; D109-L112 PolarHBondContact O-N 2.87Å; D109-S113 WeakPolarHBondContact O-CB 3.48Å; D109-S113 PolarHBondContact O-N 3.04Å; D109-S113 PolarHBondContact O-OG 3.45Å; D109-L163 HydrophobicContact CB-CD2 4.27Å
110	M	96.3	Very high	95.3	Very high	48 Å²	48	65.5 Å²	65.5	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-42.8	171.2	-175.1	62.3	-173.3	0	0	111.5	F96 R100 S106 F107 P108 L112 S113 V114	F96-M110 HydrophobicContact CE2-CE 4.28Å; F96-M110 HydrophobicContact CZ-CE 4.13Å; R100-M110 HydrophobicContact CB-CE 4.13Å; R100-M110 HydrophobicContact CB-SD 4.25Å; R100-M110 HydrophobicContact CG-CE 3.79Å; R100-M110 HydrophobicContact CG-SD 4.24Å; S106-M110 VanDerWaalsContact O-CB 3.28Å; S106-M110 WeakPolarHBondContact O-CB 3.39Å; S106-M110 PolarHBondContact O-N 2.91Å; F107-M110 PolarHBondContact O-N 3.45Å; P108-M110 VanDerWaalsContact C-N 3.34Å; M110-L112 PolarHBondContact O-N 3.5Å; M110-S113 WeakPolarHBondContact O-CB 3.5Å; M110-S113 PolarHBondContact O-N 3.08Å; M110-S113 VanDerWaalsContact O-N 3.11Å; M110-V114 PolarHBondContact O-N 3.26Å
111	G	96.7	Very high	95.5	Very high	42 Å²	42	61.1 Å²	61.1	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-44.3	173.4	0	0	0	0	0	112.4	F107 P108 S113 V114 L115	F107-G111 PolarHBondContact O-N 2.96Å; P108-G111 PolarHBondContact O-N 3.13Å; G111-S113 VanDerWaalsContact C-N 3.28Å; G111-S113 PolarHBondContact O-N 2.95Å; G111-V114 PolarHBondContact O-N 3.39Å; G111-L115 PolarHBondContact O-N 3.14Å
112	L	97.2	Very high	95.8	Very high	50 Å²	50	59.4 Å²	59.4	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-36.2	172.7	-74.3	176.5	0	0	0	112.3	P108 D109 M110 L115 A116 I159 R162 L163	P108-L112 PolarHBondContact O-N 3.07Å; D109-L112 PolarHBondContact O-N 2.87Å; M110-L112 PolarHBondContact O-N 3.5Å; L112-L115 PolarHBondContact O-N 3.33Å; L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 2.86Å; L112-I159 HydrophobicContact CB-CG2 4.05Å; L112-I159 HydrophobicContact CD2-CG2 4.26Å; L112-I159 WeakPolarHBondContact O-CG2 3.46Å; L112-R162 HydrophobicContact CD1-CG 4.16Å; L112-L163 HydrophobicContact CB-CD2 3.86Å; L112-L163 HydrophobicContact CB-CG 4.42Å; L112-L163 HydrophobicContact CD1-CD2 4.43Å
113	S	97.4	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-39.4	177.6	-55.5	0	0	0	0	112.2	Y99 D109 M110 G111 A116 L117	Y99-S113 WeakPolarHBondContact CB-OG 3.35Å; D109-S113 WeakPolarHBondContact O-CB 3.48Å; D109-S113 PolarHBondContact O-N 3.04Å; D109-S113 PolarHBondContact O-OG 3.45Å; M110-S113 WeakPolarHBondContact O-CB 3.5Å; M110-S113 PolarHBondContact O-N 3.08Å; M110-S113 VanDerWaalsContact O-N 3.11Å; G111-S113 VanDerWaalsContact C-N 3.28Å; G111-S113 PolarHBondContact O-N 2.95Å; S113-A116 PolarHBondContact O-N 3.29Å; S113-L117 PolarHBondContact O-N 3.19Å; S113-L117 VanDerWaalsContact O-N 3.1Å
114	V	98.1	Very high	96.2	Very high	59 Å²	59	53.8 Å²	53.8	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-44.1	172.6	175.1	0	0	0	0	110.5	F96 M110 G111 A116 L117 I118	F96-V114 HydrophobicContact CE2-CB 4.47Å; F96-V114 HydrophobicContact CE2-CG2 3.73Å; F96-V114 HydrophobicContact CZ-CG2 4.18Å; M110-V114 PolarHBondContact O-N 3.26Å; G111-V114 PolarHBondContact O-N 3.39Å; V114-A116 VanDerWaalsContact C-N 3.31Å; V114-A116 PolarHBondContact O-N 2.83Å; V114-L117 WeakPolarHBondContact O-CB 3.45Å; V114-L117 PolarHBondContact O-N 2.82Å; V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 WeakPolarHBondContact O-CG1 3.2Å; V114-I118 PolarHBondContact O-N 2.88Å
115	L	98.2	Very high	96.6	Very high	73 Å²	73	54 Å²	54	38%	0.382	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-37.5	177.7	-173.2	62.8	0	0	0	111.9	G111 L112 I118 A119 I159	G111-L115 PolarHBondContact O-N 3.14Å; L112-L115 PolarHBondContact O-N 3.33Å; L115-I118 PolarHBondContact O-N 3.44Å; L115-A119 WeakPolarHBondContact O-CB 3.36Å; L115-A119 PolarHBondContact O-N 3.28Å; L115-I159 HydrophobicContact CB-CD1 4.09Å; L115-I159 HydrophobicContact CD2-CD1 3.6Å; L115-I159 HydrophobicContact CG-CD1 3.54Å
116	A	98.2	Very high	97	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-43.8	173.4	0	0	0	0	0	111.5	L112 S113 V114 A119 A120 H156 I159 L163	L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 2.86Å; S113-A116 PolarHBondContact O-N 3.29Å; V114-A116 VanDerWaalsContact C-N 3.31Å; V114-A116 PolarHBondContact O-N 2.83Å; A116-A119 PolarHBondContact O-N 2.98Å; A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 2.85Å; A116-H156 PolarHBondContact O-CD2 2.93Å; A116-I159 HydrophobicContact CB-CB 4.39Å; A116-I159 HydrophobicContact CB-CG2 3.78Å; A116-L163 HydrophobicContact CB-CD1 4.36Å
117	L	98.6	Very high	97.3	Very high	37 Å²	37	43.7 Å²	43.7	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-51.2	174.4	175.9	64	0	0	0	110.9	A92 F96 S113 V114 A119 A120 L121	A92-L117 HydrophobicContact CB-CD1 4.14Å; F96-L117 HydrophobicContact CB-CB 4.21Å; F96-L117 HydrophobicContact CB-CD1 4.13Å; F96-L117 HydrophobicContact CB-CD2 4.09Å; F96-L117 HydrophobicContact CB-CG 4.37Å; F96-L117 HydrophobicContact CD1-CD2 3.91Å; F96-L117 HydrophobicContact CD2-CB 4.06Å; F96-L117 HydrophobicContact CD2-CD2 4.03Å; F96-L117 HydrophobicContact CE1-CD2 4.34Å; F96-L117 HydrophobicContact CE2-CD2 4.47Å; F96-L117 HydrophobicContact CG-CB 4.26Å; F96-L117 HydrophobicContact CG-CD2 3.73Å; F96-L117 HydrophobicContact CG-CG 4.43Å; S113-L117 PolarHBondContact O-N 3.19Å; S113-L117 VanDerWaalsContact O-N 3.1Å; V114-L117 WeakPolarHBondContact O-CB 3.45Å; V114-L117 PolarHBondContact O-N 2.82Å; L117-A119 VanDerWaalsContact C-N 3.31Å; L117-A119 PolarHBondContact O-N 3.4Å; L117-A120 PolarHBondContact O-N 3.34Å; L117-A120 VanDerWaalsContact O-N 3.16Å; L117-L121 HydrophobicContact CD1-CD1 4.2Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 4.05Å; L117-L121 HydrophobicContact CG-CD1 4.1Å; L117-L121 HydrophobicContact CG-CG 4.32Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.29Å; L117-L121 PolarHBondContact O-N 3.29Å
118	I	98.6	Very high	97.6	Very high	95 Å²	95	36.6 Å²	36.6	49%	0.487	22%	0.217	S	C	.	.	H	α-helix	trans	-58.4	-44.9	179.7	-66.7	168.1	0	0	0	110.7	V114 L115 L121 A122	V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 WeakPolarHBondContact O-CG1 3.2Å; V114-I118 PolarHBondContact O-N 2.88Å; L115-I118 PolarHBondContact O-N 3.44Å; I118-L121 PolarHBondContact O-N 3.48Å; I118-A122 VanDerWaalsContact O-CB 3.31Å; I118-A122 WeakPolarHBondContact O-CB 3.42Å; I118-A122 PolarHBondContact O-N 2.88Å
119	A	98.6	Very high	97.7	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-42.9	177.1	0	0	0	0	0	111.8	L115 A116 L117 A122 E123 C152 L155 H156	L115-A119 WeakPolarHBondContact O-CB 3.36Å; L115-A119 PolarHBondContact O-N 3.28Å; A116-A119 PolarHBondContact O-N 2.98Å; L117-A119 VanDerWaalsContact C-N 3.31Å; L117-A119 PolarHBondContact O-N 3.4Å; A119-A122 PolarHBondContact O-N 3.09Å; A119-E123 VanDerWaalsContact O-CB 3.29Å; A119-E123 WeakPolarHBondContact O-CB 3.4Å; A119-E123 PolarHBondContact O-N 2.86Å; A119-C152 WeakPolarHBondContact O-CB 3.3Å; A119-L155 HydrophobicContact CB-CD2 4.26Å; A119-L155 HydrophobicContact CB-CG 4.28Å; A119-H156 HydrophobicContact CB-CB 3.86Å
120	A	98.4	Very high	97.8	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-39	176.3	0	0	0	0	0	112.7	A92 A116 L117 N124	A92-A120 HydrophobicContact CB-CB 3.89Å; A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 2.85Å; L117-A120 PolarHBondContact O-N 3.34Å; L117-A120 VanDerWaalsContact O-N 3.16Å; A120-N124 PolarHBondContact O-N 3.19Å; A120-N124 VanDerWaalsContact O-N 3.13Å; A120-N124 PolarHBondContact O-ND2 3.37Å
121	L	98.6	Very high	97.7	Very high	65 Å²	65	32.8 Å²	32.8	34%	0.34	19%	0.193	S	C	.	.	H	α-helix	trans	-64.9	-47.4	174.8	-66.2	179.5	0	0	0	110.7	F89 L117 I118 E123 N124 V125	F89-L121 HydrophobicContact CD1-CD2 3.51Å; F89-L121 HydrophobicContact CE1-CD2 3.9Å; L117-L121 HydrophobicContact CD1-CD1 4.2Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 4.05Å; L117-L121 HydrophobicContact CG-CD1 4.1Å; L117-L121 HydrophobicContact CG-CG 4.32Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.29Å; L117-L121 PolarHBondContact O-N 3.29Å; I118-L121 PolarHBondContact O-N 3.48Å; L121-E123 PolarHBondContact O-N 3.44Å; L121-N124 PolarHBondContact O-N 3.2Å; L121-V125 WeakPolarHBondContact O-CG2 3.18Å; L121-V125 PolarHBondContact O-N 2.81Å
122	A	98.6	Very high	97.6	Very high	27 Å²	27	36.1 Å²	36.1	22%	0.223	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-37.7	178.5	0	0	0	0	0	112.4	I118 A119 V125 G126 C152	I118-A122 VanDerWaalsContact O-CB 3.31Å; I118-A122 WeakPolarHBondContact O-CB 3.42Å; I118-A122 PolarHBondContact O-N 2.88Å; A119-A122 PolarHBondContact O-N 3.09Å; A122-V125 PolarHBondContact O-N 3.19Å; A122-G126 PolarHBondContact O-N 2.87Å; A122-C152 HydrophobicContact CB-CB 4.04Å; A122-C152 WeakPolarHBondContact CB-SG 3.35Å
123	E	98.4	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.2	-50.8	171.2	179	-171	162.4	0	0	110.7	R88 A119 L121 G126 L127 F149 C152 H156 N227 H231	R88-E123 IonicContact NH2-OE1 3.19Å; R88-E123 PolarHBondContact NH2-OE1 2.89Å; R88-E123 VanDerWaalsContact NH2-OE1 3.13Å; R88-E123 IonicContact NH2-OE2 2.62Å; A119-E123 VanDerWaalsContact O-CB 3.29Å; A119-E123 WeakPolarHBondContact O-CB 3.4Å; A119-E123 PolarHBondContact O-N 2.86Å; L121-E123 PolarHBondContact O-N 3.44Å; E123-G126 PolarHBondContact O-N 2.98Å; E123-L127 PolarHBondContact O-N 3.27Å; E123-F149 HydrophobicContact CG-CD2 3.8Å; E123-F149 HydrophobicContact CG-CE2 3.92Å; E123-C152 HydrophobicContact CB-CB 4.06Å; E123-H156 IonicContact OE2-CG 3.26Å; E123-H156 IonicContact OE2-ND1 2.89Å; E123-N227 PolarHBondContact OE1-ND2 3.11Å; E123-H231 IonicContact OE1-CD2 3.2Å; E123-H231 IonicContact OE1-CE1 2.69Å; E123-H231 IonicContact OE1-NE2 3.08Å; E123-H231 PolarHBondContact OE1-NE2 2.94Å; E123-H231 IonicContact OE2-CE1 2.69Å; E123-H231 IonicContact OE2-NE2 3.44Å
124	N	98.2	Very high	96.7	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-38.3	-179.9	-73.2	-51.9	0	0	0	112.8	R88 F89 A120 L121 L127 L128	R88-N124 VanDerWaalsContact CB-OD1 3.31Å; R88-N124 WeakPolarHBondContact CB-OD1 3.47Å; R88-N124 PolarHBondContact NE-OD1 3.45Å; R88-N124 PolarHBondContact NH2-OD1 2.98Å; F89-N124 HydrophobicContact CD1-CB 4.34Å; F89-N124 HydrophobicContact CE1-CB 3.68Å; F89-N124 HydrophobicContact CE2-CB 4.23Å; F89-N124 HydrophobicContact CZ-CB 3.61Å; A120-N124 PolarHBondContact O-N 3.19Å; A120-N124 VanDerWaalsContact O-N 3.13Å; A120-N124 PolarHBondContact O-ND2 3.37Å; L121-N124 PolarHBondContact O-N 3.2Å; N124-L127 PolarHBondContact O-N 3.35Å; N124-L128 WeakPolarHBondContact O-CG 3.28Å; N124-L128 PolarHBondContact O-N 2.94Å
125	V	98.2	Very high	96	Very high	83 Å²	83	33.9 Å²	33.9	50%	0.503	18%	0.183	S	C	.	.	H	α-helix	trans	-64	-42.3	173.6	171.3	0	0	0	0	110.8	F89 L121 A122 L127 L128 L129	F89-V125 HydrophobicContact CZ-CG2 4.3Å; L121-V125 WeakPolarHBondContact O-CG2 3.18Å; L121-V125 PolarHBondContact O-N 2.81Å; A122-V125 PolarHBondContact O-N 3.19Å; V125-L127 PolarHBondContact O-N 3.38Å; V125-L128 PolarHBondContact O-N 3.04Å; V125-L129 WeakPolarHBondContact O-CB 3.36Å; V125-L129 PolarHBondContact O-N 2.9Å
126	G	98.1	Very high	95.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-43.9	174.6	0	0	0	0	0	112.4	A122 E123 L129 L130	A122-G126 PolarHBondContact O-N 2.87Å; E123-G126 PolarHBondContact O-N 2.98Å; G126-L129 PolarHBondContact O-N 3.13Å; G126-L130 WeakPolarHBondContact O-CG 3.42Å; G126-L130 PolarHBondContact O-N 3.16Å
127	L	98	Very high	94.4	Very high	20 Å²	20	39 Å²	39	11%	0.105	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-42.2	175.4	179.8	60.4	0	0	0	112.2	W77 I81 E123 N124 V125 L130 T131 F149	W77-L127 HydrophobicContact CZ2-CD1 4.24Å; I81-L127 HydrophobicContact CD1-CD2 4.36Å; I81-L127 HydrophobicContact CG2-CD2 4.4Å; I81-L127 HydrophobicContact CG2-CG 4.16Å; E123-L127 PolarHBondContact O-N 3.27Å; N124-L127 PolarHBondContact O-N 3.35Å; V125-L127 PolarHBondContact O-N 3.38Å; L127-L130 HydrophobicContact CD1-CD1 4.09Å; L127-L130 HydrophobicContact CD1-CD2 4.45Å; L127-L130 HydrophobicContact CD1-CG 4.43Å; L127-L130 WeakPolarHBondContact O-CG 3.28Å; L127-T131 WeakPolarHBondContact O-CB 3.35Å; L127-T131 PolarHBondContact O-N 3.46Å; L127-T131 VanDerWaalsContact O-N 3.14Å; L127-T131 PolarHBondContact O-OG1 3.48Å; L127-F149 HydrophobicContact CB-CD2 3.85Å; L127-F149 HydrophobicContact CB-CE2 4.26Å; L127-F149 HydrophobicContact CD1-CE2 4.44Å
128	L	97.8	Very high	94	Very high	41 Å²	41	40.5 Å²	40.5	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-42.9	174.5	-77.4	171.8	0	0	0	111.4	I81 F89 N124 V125 T131 Y132	I81-L128 HydrophobicContact CG2-CD2 4.29Å; F89-L128 HydrophobicContact CE2-CD1 3.9Å; F89-L128 HydrophobicContact CZ-CD1 4.13Å; N124-L128 WeakPolarHBondContact O-CG 3.28Å; N124-L128 PolarHBondContact O-N 2.94Å; V125-L128 PolarHBondContact O-N 3.04Å; L128-T131 WeakPolarHBondContact O-CB 3.44Å; L128-T131 PolarHBondContact O-N 3.42Å; L128-Y132 HydrophobicContact CD2-CD2 4.07Å; L128-Y132 HydrophobicContact CD2-CE2 3.7Å; L128-Y132 WeakPolarHBondContact O-CD2 3.42Å; L128-Y132 PolarHBondContact O-N 3.29Å
129	L	96.2	Very high	93.5	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-49.3	-179.8	-170.8	64.3	0	0	0	111.3	V125 G126 T131 V133 V141	V125-L129 WeakPolarHBondContact O-CB 3.36Å; V125-L129 PolarHBondContact O-N 2.9Å; G126-L129 PolarHBondContact O-N 3.13Å; L129-T131 PolarHBondContact O-N 2.81Å; L129-V133 HydrophobicContact CD1-CG2 3.88Å; L129-V133 WeakPolarHBondContact O-CA 3.45Å; L129-V133 VanDerWaalsContact O-CB 3.23Å; L129-V133 WeakPolarHBondContact O-CB 3.39Å; L129-V133 PolarHBondContact O-N 3.4Å; L129-V141 HydrophobicContact CD1-CG1 3.64Å; L129-V141 HydrophobicContact CD2-CG1 3.99Å; L129-V141 HydrophobicContact CG-CG1 3.91Å
130	L	94.6	Very high	93.3	Very high	13 Å²	13	46 Å²	46	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-68.1	-20.7	178.4	71.2	82.6	0	0	0	113.5	I68 G126 L127 H142 F149	I68-L130 HydrophobicContact CD1-CD1 4.01Å; G126-L130 WeakPolarHBondContact O-CG 3.42Å; G126-L130 PolarHBondContact O-N 3.16Å; L127-L130 HydrophobicContact CD1-CD1 4.09Å; L127-L130 HydrophobicContact CD1-CD2 4.45Å; L127-L130 HydrophobicContact CD1-CG 4.43Å; L127-L130 WeakPolarHBondContact O-CG 3.28Å; L130-H142 PolarHBondContact O-CE1 3.49Å; L130-H142 PolarHBondContact O-ND1 2.88Å; L130-F149 HydrophobicContact CD2-CB 3.9Å; L130-F149 HydrophobicContact CD2-CD1 4.23Å; L130-F149 HydrophobicContact CD2-CG 4.13Å
131	T	95.6	Very high	93	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-82.1	-46.3	178.8	-67.8	0	0	0	0	111.9	W77 R78 I81 L127 L128 L129	W77-T131 PolarHBondContact NE1-OG1 3.43Å; R78-T131 HydrophobicContact CB-CG2 4.42Å; R78-T131 HydrophobicContact CG-CG2 3.91Å; R78-T131 WeakPolarHBondContact CG-O 3.17Å; R78-T131 PolarHBondContact NE-O 2.78Å; I81-T131 HydrophobicContact CB-CG2 3.86Å; I81-T131 HydrophobicContact CG1-CG2 4.43Å; I81-T131 HydrophobicContact CG2-CG2 3.86Å; L127-T131 WeakPolarHBondContact O-CB 3.35Å; L127-T131 PolarHBondContact O-N 3.46Å; L127-T131 VanDerWaalsContact O-N 3.14Å; L127-T131 PolarHBondContact O-OG1 3.48Å; L128-T131 WeakPolarHBondContact O-CB 3.44Å; L128-T131 PolarHBondContact O-N 3.42Å; L129-T131 PolarHBondContact O-N 2.81Å
132	Y	94.8	Very high	92.8	Very high	112 Å²	112	45.6 Å²	45.6	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-87.4	-23.3	-176.7	-77.1	-83.7	0	0	0	112.6	R78 L128	R78-Y132 HydrophobicContact CB-CE1 4.3Å; R78-Y132 HydrophobicContact CG-CD1 4.24Å; R78-Y132 HydrophobicContact CG-CE1 4.23Å; R78-Y132 PolarHBondContact NH2-O 2.6Å; R78-Y132 PolarHBondContact O-OH 2.9Å; L128-Y132 HydrophobicContact CD2-CD2 4.07Å; L128-Y132 HydrophobicContact CD2-CE2 3.7Å; L128-Y132 WeakPolarHBondContact O-CD2 3.42Å; L128-Y132 PolarHBondContact O-N 3.29Å
133	V	91.6	Very high	92.6	Very high	29 Å²	29	49 Å²	49	18%	0.176	26%	0.258	C	S	.	.	S	Bend	trans	-105.5	103	171.8	-174	0	0	0	0	108.9	L129 T138 V141 H142	L129-V133 HydrophobicContact CD1-CG2 3.88Å; L129-V133 WeakPolarHBondContact O-CA 3.45Å; L129-V133 VanDerWaalsContact O-CB 3.23Å; L129-V133 WeakPolarHBondContact O-CB 3.39Å; L129-V133 PolarHBondContact O-N 3.4Å; V133-T138 WeakPolarHBondContact CG1-OG1 3.28Å; V133-V141 HydrophobicContact CB-CG1 4.23Å; V133-V141 HydrophobicContact CG1-CB 4.02Å; V133-V141 HydrophobicContact CG1-CG1 3.95Å; V133-V141 HydrophobicContact CG2-CG1 4.01Å; V133-H142 PolarHBondContact O-ND1 3.13Å
134	S	83	Confident	92.5	Very high	4 Å²	4	53 Å²	53	3%	0.028	28%	0.279	C	S	.	.			trans	-68.8	150.5	179.6	175.3	0	0	0	0	110.9	S69 T136 E137 T138	S69-S134 WeakPolarHBondContact CB-OG 3.32Å; S69-S134 PolarHBondContact OG-OG 3.44Å; S69-S134 VanDerWaalsContact OG-OG 3.08Å; S134-T136 PolarHBondContact O-N 3.46Å; S134-T136 PolarHBondContact OG-N 2.99Å; S134-T136 PolarHBondContact OG-OG1 3.34Å; S134-E137 PolarHBondContact N-OE2 3.11Å; S134-E137 PolarHBondContact O-N 2.89Å; S134-T138 PolarHBondContact O-N 3.41Å
135	S	83.6	Confident	92.5	Very high	29 Å²	29	52.8 Å²	52.8	20%	0.203	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.4	176.7	64.7	0	0	0	0	112.6	S69 H142	S69-S135 PolarHBondContact OG-OG 2.97Å; S135-H142 PolarHBondContact N-ND1 3.29Å
136	T	79.8	Confident	92.3	Very high	95 Å²	95	52.6 Å²	52.6	58%	0.583	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-20.5	177	65.4	0	0	0	0	113.5	R74 S134	R74-T136 PolarHBondContact NH2-OG1 2.63Å; S134-T136 PolarHBondContact O-N 3.46Å; S134-T136 PolarHBondContact OG-N 2.99Å; S134-T136 PolarHBondContact OG-OG1 3.34Å
137	E	83	Confident	92.3	Very high	90 Å²	90	56.6 Å²	56.6	42%	0.421	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-61.1	-178.6	-70.9	166.9	168.6	0	0	110.3	R74 R78 S134	R74-E137 IonicContact CZ-OE1 3.88Å; R74-E137 IonicContact NH1-OE1 3.6Å; R74-E137 PolarHBondContact NH1-OE1 3.48Å; R78-E137 IonicContact NH2-OE1 3.64Å; R78-E137 PolarHBondContact NH2-OE1 2.74Å; R78-E137 IonicContact NH2-OE2 3.75Å; R78-E137 PolarHBondContact NH2-OE2 2.89Å; S134-E137 PolarHBondContact N-OE2 3.11Å; S134-E137 PolarHBondContact O-N 2.89Å
138	T	90.4	Very high	92.3	Very high	68 Å²	68	58.2 Å²	58.2	42%	0.417	30%	0.302	S	S	.	.			trans	-142.5	91.4	175.1	53.5	0	0	0	0	110.7	V133 S134 S140 V141 H142	V133-T138 WeakPolarHBondContact CG1-OG1 3.28Å; S134-T138 PolarHBondContact O-N 3.41Å; T138-S140 PolarHBondContact O-N 2.92Å; T138-S140 VanDerWaalsContact O-N 3.11Å; T138-V141 PolarHBondContact O-N 3.4Å; T138-V141 VanDerWaalsContact O-N 3.1Å; T138-H142 PolarHBondContact O-N 3.38Å
139	Y	88.8	Confident	92.3	Very high	133 Å²	133	57 Å²	57	52%	0.522	30%	0.295	S	S	.	.	H	α-helix	trans	-51.8	-39.4	-176.3	178.1	-107.1	0	0	0	113.6	H142 K143	Y139-H142 PolarHBondContact O-N 2.93Å; Y139-K143 HydrophobicContact CE1-CD 4.08Å; Y139-K143 WeakPolarHBondContact O-CB 3.33Å; Y139-K143 PolarHBondContact O-N 3.4Å
140	S	93.4	Very high	92.4	Very high	80 Å²	80	55.3 Å²	55.3	56%	0.559	29%	0.29	S	S	*	.	H	α-helix	trans	-61	-47.7	179.6	-175.1	0	0	0	0	112.6	T138 K143 N144	T138-S140 PolarHBondContact O-N 2.92Å; T138-S140 VanDerWaalsContact O-N 3.11Å; S140-K143 PolarHBondContact O-N 2.86Å; S140-N144 WeakPolarHBondContact O-CB 3.25Å; S140-N144 PolarHBondContact O-N 2.96Å; S140-N144 PolarHBondContact O-ND2 3.2Å
141	V	93.2	Very high	92.6	Very high	56 Å²	56	57.5 Å²	57.5	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-69.7	-43.4	-179.4	177.2	0	0	0	0	110.4	L129 V133 T138 K143 N144 G145	L129-V141 HydrophobicContact CD1-CG1 3.64Å; L129-V141 HydrophobicContact CD2-CG1 3.99Å; L129-V141 HydrophobicContact CG-CG1 3.91Å; V133-V141 HydrophobicContact CB-CG1 4.23Å; V133-V141 HydrophobicContact CG1-CB 4.02Å; V133-V141 HydrophobicContact CG1-CG1 3.95Å; V133-V141 HydrophobicContact CG2-CG1 4.01Å; T138-V141 PolarHBondContact O-N 3.4Å; T138-V141 VanDerWaalsContact O-N 3.1Å; V141-K143 PolarHBondContact O-N 3.35Å; V141-N144 PolarHBondContact O-N 3.37Å; V141-G145 PolarHBondContact O-N 3.1Å
142	H	94.8	Very high	92.7	Very high	5 Å²	5	58.4 Å²	58.4	2%	0.023	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-48.5	174.9	-179.3	88	0	0	0	111.7	S65 L130 V133 S135 T138 Y139 N144 G145 F146	S65-H142 WeakPolarHBondContact CB-NE2 3.22Å; S65-H142 PolarHBondContact OG-NE2 3.34Å; L130-H142 PolarHBondContact O-CE1 3.49Å; L130-H142 PolarHBondContact O-ND1 2.88Å; V133-H142 PolarHBondContact O-ND1 3.13Å; S135-H142 PolarHBondContact N-ND1 3.29Å; T138-H142 PolarHBondContact O-N 3.38Å; Y139-H142 PolarHBondContact O-N 2.93Å; H142-N144 VanDerWaalsContact C-N 3.35Å; H142-N144 PolarHBondContact O-N 3.25Å; H142-G145 PolarHBondContact O-N 2.99Å; H142-F146 PolarHBondContact O-N 3.29Å
143	K	94.2	Very high	92.9	Very high	99 Å²	99	53.2 Å²	53.2	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-43.8	177.3	179.1	-174.4	174.2	-171.9	0	111.6	Y139 S140 V141 G145 F146 I147	Y139-K143 HydrophobicContact CE1-CD 4.08Å; Y139-K143 WeakPolarHBondContact O-CB 3.33Å; Y139-K143 PolarHBondContact O-N 3.4Å; S140-K143 PolarHBondContact O-N 2.86Å; V141-K143 PolarHBondContact O-N 3.35Å; K143-G145 VanDerWaalsContact C-N 3.34Å; K143-F146 PolarHBondContact O-N 3.05Å; K143-I147 HydrophobicContact CG-CD1 4.07Å; K143-I147 WeakPolarHBondContact O-CG1 3.36Å; K143-I147 PolarHBondContact O-N 3.44Å
144	N	95.5	Very high	93.2	Very high	84 Å²	84	54 Å²	54	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-40.9	176.8	-70.6	-18	0	0	0	111.2	S140 V141 H142 F146 I147 T148	S140-N144 WeakPolarHBondContact O-CB 3.25Å; S140-N144 PolarHBondContact O-N 2.96Å; S140-N144 PolarHBondContact O-ND2 3.2Å; V141-N144 PolarHBondContact O-N 3.37Å; H142-N144 VanDerWaalsContact C-N 3.35Å; H142-N144 PolarHBondContact O-N 3.25Å; N144-F146 PolarHBondContact O-N 3.49Å; N144-I147 PolarHBondContact O-N 3.49Å; N144-T148 WeakPolarHBondContact O-CB 3.33Å; N144-T148 PolarHBondContact O-N 3.46Å; N144-T148 PolarHBondContact O-OG1 3.43Å; N144-T148 VanDerWaalsContact O-OG1 3.04Å
145	G	97.3	Very high	94	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-43.6	173.1	0	0	0	0	0	113.1	V141 H142 K143 T148 F149	V141-G145 PolarHBondContact O-N 3.1Å; H142-G145 PolarHBondContact O-N 2.99Å; K143-G145 VanDerWaalsContact C-N 3.34Å; G145-T148 PolarHBondContact O-N 3Å; G145-F149 WeakPolarHBondContact O-CB 3.48Å; G145-F149 PolarHBondContact O-N 3.42Å
146	F	95.9	Very high	94.7	Very high	79 Å²	79	56.3 Å²	56.3	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-47.6	173.8	176.7	-93	0	0	0	112.3	H142 K143 N144 T148 F149 A150	H142-F146 PolarHBondContact O-N 3.29Å; K143-F146 PolarHBondContact O-N 3.05Å; N144-F146 PolarHBondContact O-N 3.49Å; F146-T148 PolarHBondContact O-N 2.98Å; F146-F149 PolarHBondContact O-N 3.38Å; F146-A150 WeakPolarHBondContact O-CB 3.4Å; F146-A150 PolarHBondContact O-N 2.9Å
147	I	96.7	Very high	95.6	Very high	84 Å²	84	51.8 Å²	51.8	43%	0.431	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-45.7	177.9	-68.5	167.2	0	0	0	110.5	K143 N144 A150 A151	K143-I147 HydrophobicContact CG-CD1 4.07Å; K143-I147 WeakPolarHBondContact O-CG1 3.36Å; K143-I147 PolarHBondContact O-N 3.44Å; N144-I147 PolarHBondContact O-N 3.49Å; I147-A150 PolarHBondContact O-N 3.23Å; I147-A151 VanDerWaalsContact O-CB 3.23Å; I147-A151 WeakPolarHBondContact O-CB 3.28Å; I147-A151 PolarHBondContact O-N 2.94Å
148	T	98.2	Very high	96.3	Very high	55 Å²	55	51.8 Å²	51.8	34%	0.337	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-49.4	176.6	-62.8	0	0	0	0	110.9	N144 G145 F146 A150 C152	N144-T148 WeakPolarHBondContact O-CB 3.33Å; N144-T148 PolarHBondContact O-N 3.46Å; N144-T148 PolarHBondContact O-OG1 3.43Å; N144-T148 VanDerWaalsContact O-OG1 3.04Å; G145-T148 PolarHBondContact O-N 3Å; F146-T148 PolarHBondContact O-N 2.98Å; T148-A150 PolarHBondContact O-N 3.41Å; T148-C152 WeakPolarHBondContact O-CB 3.44Å; T148-C152 PolarHBondContact O-N 3.41Å; T148-C152 PolarHBondContact O-SG 2.92Å
149	F	98.4	Very high	96.7	Very high	16 Å²	16	49 Å²	49	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-53.6	176.7	168.5	-107.3	0	0	0	111.5	E123 L127 L130 G145 F146 S153 V224	E123-F149 HydrophobicContact CG-CD2 3.8Å; E123-F149 HydrophobicContact CG-CE2 3.92Å; L127-F149 HydrophobicContact CB-CD2 3.85Å; L127-F149 HydrophobicContact CB-CE2 4.26Å; L127-F149 HydrophobicContact CD1-CE2 4.44Å; L130-F149 HydrophobicContact CD2-CB 3.9Å; L130-F149 HydrophobicContact CD2-CD1 4.23Å; L130-F149 HydrophobicContact CD2-CG 4.13Å; G145-F149 WeakPolarHBondContact O-CB 3.48Å; G145-F149 PolarHBondContact O-N 3.42Å; F146-F149 PolarHBondContact O-N 3.38Å; F149-S153 WeakPolarHBondContact O-CB 3.3Å; F149-S153 PolarHBondContact O-N 3.44Å; F149-V224 HydrophobicContact CE1-CG2 4.49Å
150	A	97.9	Very high	97.2	Very high	26 Å²	26	42.7 Å²	42.7	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-49.2	-176.1	0	0	0	0	0	112.4	F146 I147 T148 S153 L154	F146-A150 WeakPolarHBondContact O-CB 3.4Å; F146-A150 PolarHBondContact O-N 2.9Å; I147-A150 PolarHBondContact O-N 3.23Å; T148-A150 PolarHBondContact O-N 3.41Å; A150-S153 PolarHBondContact O-N 3Å; A150-L154 WeakPolarHBondContact O-CG 3.35Å; A150-L154 PolarHBondContact O-N 3.27Å
151	A	98.3	Very high	97.4	Very high	58 Å²	58	39.4 Å²	39.4	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-66	-44.7	-178.2	0	0	0	0	0	111.9	I147 L154 L155	I147-A151 VanDerWaalsContact O-CB 3.23Å; I147-A151 WeakPolarHBondContact O-CB 3.28Å; I147-A151 PolarHBondContact O-N 2.94Å; A151-L154 PolarHBondContact O-N 3.15Å; A151-L155 WeakPolarHBondContact O-CB 3.41Å; A151-L155 PolarHBondContact O-N 2.84Å
152	C	98.6	Very high	97.6	Very high	25 Å²	25	42.1 Å²	42.1	17%	0.169	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-35.7	179	-65.5	0	0	0	0	112.1	A119 A122 E123 T148 L155 H156	A119-C152 WeakPolarHBondContact O-CB 3.3Å; A122-C152 HydrophobicContact CB-CB 4.04Å; A122-C152 WeakPolarHBondContact CB-SG 3.35Å; E123-C152 HydrophobicContact CB-CB 4.06Å; T148-C152 WeakPolarHBondContact O-CB 3.44Å; T148-C152 PolarHBondContact O-N 3.41Å; T148-C152 PolarHBondContact O-SG 2.92Å; C152-L155 PolarHBondContact O-N 2.96Å; C152-H156 WeakPolarHBondContact O-CB 3.2Å; C152-H156 PolarHBondContact O-N 3.33Å
153	S	98.4	Very high	97.7	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-51.5	171.2	163	0	0	0	0	111.5	F149 A150 L155 H156 M157 N227	F149-S153 WeakPolarHBondContact O-CB 3.3Å; F149-S153 PolarHBondContact O-N 3.44Å; A150-S153 PolarHBondContact O-N 3Å; S153-L155 PolarHBondContact O-N 3.33Å; S153-H156 PolarHBondContact O-N 2.86Å; S153-M157 WeakPolarHBondContact O-CB 3.44Å; S153-M157 VanDerWaalsContact O-CG 3.29Å; S153-M157 WeakPolarHBondContact O-CG 3.29Å; S153-M157 PolarHBondContact O-N 3.47Å; S153-M157 WeakPolarHBondContact OG-CE 3.5Å; S153-N227 PolarHBondContact OG-ND2 3.1Å
154	L	98.6	Very high	97.8	Very high	44 Å²	44	37.2 Å²	37.2	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-42.5	179.9	-73.2	177.1	0	0	0	112	A150 A151 M157 L158 F187 N190 V191	A150-L154 WeakPolarHBondContact O-CG 3.35Å; A150-L154 PolarHBondContact O-N 3.27Å; A151-L154 PolarHBondContact O-N 3.15Å; L154-M157 PolarHBondContact O-N 2.75Å; L154-L158 WeakPolarHBondContact O-CB 3.13Å; L154-L158 PolarHBondContact O-N 2.92Å; L154-F187 HydrophobicContact CD2-CE2 4.48Å; L154-N190 WeakPolarHBondContact CD2-OD1 3.4Å; L154-V191 HydrophobicContact CD2-CG2 3.7Å
155	L	98.6	Very high	97.8	Very high	71 Å²	71	37.6 Å²	37.6	37%	0.372	20%	0.199	S	C	.	.	H	α-helix	trans	-62.8	-46.2	176	-178.7	61.3	0	0	0	111.3	A119 A151 C152 S153 L158 I159	A119-L155 HydrophobicContact CB-CD2 4.26Å; A119-L155 HydrophobicContact CB-CG 4.28Å; A151-L155 WeakPolarHBondContact O-CB 3.41Å; A151-L155 PolarHBondContact O-N 2.84Å; C152-L155 PolarHBondContact O-N 2.96Å; S153-L155 PolarHBondContact O-N 3.33Å; L155-L158 PolarHBondContact O-N 3.43Å; L155-I159 HydrophobicContact CD1-CD1 3.8Å; L155-I159 HydrophobicContact CD1-CG1 4.17Å; L155-I159 HydrophobicContact CG-CD1 3.76Å; L155-I159 WeakPolarHBondContact O-CD1 3.48Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.46Å; L155-I159 PolarHBondContact O-N 3.44Å
156	H	98.6	Very high	97.6	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-46.3	176.9	169.9	-107	0	0	0	111.7	A116 A119 E123 C152 S153 I159 T160 H231	A116-H156 PolarHBondContact O-CD2 2.93Å; A119-H156 HydrophobicContact CB-CB 3.86Å; E123-H156 IonicContact OE2-CG 3.26Å; E123-H156 IonicContact OE2-ND1 2.89Å; C152-H156 WeakPolarHBondContact O-CB 3.2Å; C152-H156 PolarHBondContact O-N 3.33Å; S153-H156 PolarHBondContact O-N 2.86Å; H156-I159 PolarHBondContact O-N 2.99Å; H156-T160 PolarHBondContact NE2-OG1 3.43Å; H156-T160 WeakPolarHBondContact O-CB 3.18Å; H156-T160 PolarHBondContact O-N 2.8Å; H156-T160 PolarHBondContact O-OG1 3.41Å; H156-H231 AromaticContact CE1-CE1 3.6Å; H156-H231 AromaticContact ND1-CE1 3.69Å
157	M	98.7	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-43.3	177	-71.5	-179.9	-173.9	0	0	112.3	S153 L154 T160 C161 F187 N190 N227 F230	S153-M157 WeakPolarHBondContact O-CB 3.44Å; S153-M157 VanDerWaalsContact O-CG 3.29Å; S153-M157 WeakPolarHBondContact O-CG 3.29Å; S153-M157 PolarHBondContact O-N 3.47Å; S153-M157 WeakPolarHBondContact OG-CE 3.5Å; L154-M157 PolarHBondContact O-N 2.75Å; M157-T160 PolarHBondContact O-N 2.85Å; M157-C161 WeakPolarHBondContact O-CB 3.29Å; M157-C161 PolarHBondContact O-N 2.83Å; M157-C161 PolarHBondContact O-SG 2.88Å; M157-F187 HydrophobicContact CB-CB 4.36Å; M157-F187 HydrophobicContact CB-CD2 3.53Å; M157-F187 HydrophobicContact CB-CE2 4.25Å; M157-F187 HydrophobicContact CB-CG 4.28Å; M157-F187 HydrophobicContact SD-CD2 4.32Å; M157-N190 HydrophobicContact SD-CB 4.19Å; M157-N227 VanDerWaalsContact CE-CA 3.47Å; M157-N227 HydrophobicContact CE-CB 3.66Å; M157-N227 WeakPolarHBondContact CE-ND2 3.43Å; M157-F230 HydrophobicContact CB-CD2 4.41Å; M157-F230 HydrophobicContact CB-CE1 4.29Å; M157-F230 HydrophobicContact CB-CE2 3.96Å; M157-F230 HydrophobicContact CB-CZ 3.91Å; M157-F230 HydrophobicContact CE-CB 3.86Å; M157-F230 HydrophobicContact CE-CD1 4.43Å; M157-F230 HydrophobicContact CE-CG 4.05Å; M157-F230 HydrophobicContact CG-CD1 3.81Å; M157-F230 HydrophobicContact CG-CD2 3.89Å; M157-F230 HydrophobicContact CG-CE1 3.83Å; M157-F230 HydrophobicContact CG-CE2 3.89Å; M157-F230 HydrophobicContact CG-CG 3.86Å; M157-F230 HydrophobicContact CG-CZ 3.87Å; M157-F230 HydrophobicContact SD-CD2 4.18Å; M157-F230 HydrophobicContact SD-CG 4.23Å
158	L	98.6	Very high	97.3	Very high	91 Å²	91	34.9 Å²	34.9	48%	0.476	19%	0.186	S	C	.	.	H	α-helix	trans	-61	-50.8	178.1	174.8	62.8	0	0	0	111.1	L154 L155 T160 C161 R162 F187	L154-L158 WeakPolarHBondContact O-CB 3.13Å; L154-L158 PolarHBondContact O-N 2.92Å; L155-L158 PolarHBondContact O-N 3.43Å; L158-T160 VanDerWaalsContact C-N 3.33Å; L158-T160 PolarHBondContact O-N 2.88Å; L158-C161 PolarHBondContact O-N 2.8Å; L158-R162 PolarHBondContact O-N 2.81Å; L158-F187 HydrophobicContact CB-CE2 3.95Å; L158-F187 HydrophobicContact CB-CZ 3.86Å; L158-F187 HydrophobicContact CD1-CE1 3.96Å; L158-F187 HydrophobicContact CD1-CZ 3.8Å; L158-F187 HydrophobicContact CG-CZ 4.36Å
159	I	98.4	Very high	96.9	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-43.7	179.7	-63	163.7	0	0	0	110.1	L112 L115 A116 L155 H156 C161 R162 L163	L112-I159 HydrophobicContact CB-CG2 4.05Å; L112-I159 HydrophobicContact CD2-CG2 4.26Å; L112-I159 WeakPolarHBondContact O-CG2 3.46Å; L115-I159 HydrophobicContact CB-CD1 4.09Å; L115-I159 HydrophobicContact CD2-CD1 3.6Å; L115-I159 HydrophobicContact CG-CD1 3.54Å; A116-I159 HydrophobicContact CB-CB 4.39Å; A116-I159 HydrophobicContact CB-CG2 3.78Å; L155-I159 HydrophobicContact CD1-CD1 3.8Å; L155-I159 HydrophobicContact CD1-CG1 4.17Å; L155-I159 HydrophobicContact CG-CD1 3.76Å; L155-I159 WeakPolarHBondContact O-CD1 3.48Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.46Å; L155-I159 PolarHBondContact O-N 3.44Å; H156-I159 PolarHBondContact O-N 2.99Å; I159-C161 PolarHBondContact O-N 3.32Å; I159-R162 WeakPolarHBondContact O-CB 3.09Å; I159-R162 PolarHBondContact O-N 2.99Å; I159-R162 VanDerWaalsContact O-N 3.09Å; I159-L163 HydrophobicContact CG2-CD1 3.97Å; I159-L163 HydrophobicContact CG2-CG 4.21Å; I159-L163 WeakPolarHBondContact O-CG 3.18Å; I159-L163 PolarHBondContact O-N 2.97Å
160	T	98.1	Very high	96.3	Very high	2 Å²	2	46 Å²	46	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-47.2	175.9	-65.4	0	0	0	0	110.7	H156 M157 L158 R162 L163 W164 K183 F230	H156-T160 PolarHBondContact NE2-OG1 3.43Å; H156-T160 WeakPolarHBondContact O-CB 3.18Å; H156-T160 PolarHBondContact O-N 2.8Å; H156-T160 PolarHBondContact O-OG1 3.41Å; M157-T160 PolarHBondContact O-N 2.85Å; L158-T160 VanDerWaalsContact C-N 3.33Å; L158-T160 PolarHBondContact O-N 2.88Å; T160-R162 VanDerWaalsContact C-N 3.3Å; T160-R162 PolarHBondContact O-N 3.2Å; T160-L163 PolarHBondContact O-N 3.13Å; T160-W164 WeakPolarHBondContact O-CB 3.12Å; T160-W164 PolarHBondContact O-N 3.46Å; T160-K183 HydrophobicContact CG2-CD 3.92Å; T160-F230 HydrophobicContact CG2-CE1 3.89Å; T160-F230 HydrophobicContact CG2-CZ 3.65Å
161	C	98.3	Very high	95.7	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-41.5	174.8	-70.5	0	0	0	0	112	M157 L158 I159 W164 Q165 V184	M157-C161 WeakPolarHBondContact O-CB 3.29Å; M157-C161 PolarHBondContact O-N 2.83Å; M157-C161 PolarHBondContact O-SG 2.88Å; L158-C161 PolarHBondContact O-N 2.8Å; I159-C161 PolarHBondContact O-N 3.32Å; C161-W164 PolarHBondContact O-N 3.32Å; C161-Q165 WeakPolarHBondContact O-CB 3.41Å; C161-Q165 PolarHBondContact O-N 3.08Å; C161-V184 HydrophobicContact CB-CG2 4.33Å
162	R	97.6	Very high	95.1	Very high	112 Å²	112	51.1 Å²	51.1	42%	0.423	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-42.3	178.3	179.9	61.7	-177	83.3	5.5	112.7	L112 L158 I159 T160 V166	L112-R162 HydrophobicContact CD1-CG 4.16Å; L158-R162 PolarHBondContact O-N 2.81Å; I159-R162 WeakPolarHBondContact O-CB 3.09Å; I159-R162 PolarHBondContact O-N 2.99Å; I159-R162 VanDerWaalsContact O-N 3.09Å; T160-R162 VanDerWaalsContact C-N 3.3Å; T160-R162 PolarHBondContact O-N 3.2Å; R162-V166 PolarHBondContact O-N 2.96Å
163	L	96.8	Very high	94.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-47.3	176.4	-70.1	173.8	0	0	0	110.5	Y99 F103 D109 L112 A116 I159 T160 Q165 V166 I167	Y99-L163 HydrophobicContact CD1-CD1 4.4Å; Y99-L163 HydrophobicContact CD2-CD1 3.89Å; Y99-L163 HydrophobicContact CE1-CB 4.49Å; Y99-L163 HydrophobicContact CE1-CD1 4.36Å; Y99-L163 HydrophobicContact CE2-CD1 3.85Å; Y99-L163 HydrophobicContact CG-CD1 4.2Å; F103-L163 HydrophobicContact CD2-CD2 4.2Å; F103-L163 HydrophobicContact CE2-CB 4.23Å; F103-L163 HydrophobicContact CE2-CD2 3.72Å; F103-L163 HydrophobicContact CE2-CG 4.43Å; F103-L163 HydrophobicContact CZ-CB 4.39Å; F103-L163 HydrophobicContact CZ-CD2 4.1Å; D109-L163 HydrophobicContact CB-CD2 4.27Å; L112-L163 HydrophobicContact CB-CD2 3.86Å; L112-L163 HydrophobicContact CB-CG 4.42Å; L112-L163 HydrophobicContact CD1-CD2 4.43Å; A116-L163 HydrophobicContact CB-CD1 4.36Å; I159-L163 HydrophobicContact CG2-CD1 3.97Å; I159-L163 HydrophobicContact CG2-CG 4.21Å; I159-L163 WeakPolarHBondContact O-CG 3.18Å; I159-L163 PolarHBondContact O-N 2.97Å; T160-L163 PolarHBondContact O-N 3.13Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 2.88Å; L163-V166 WeakPolarHBondContact O-CA 3.29Å; L163-V166 WeakPolarHBondContact O-CB 3.44Å; L163-V166 PolarHBondContact O-N 3.34Å; L163-I167 WeakPolarHBondContact O-CG1 3.49Å; L163-I167 PolarHBondContact O-N 3.47Å
164	W	96.3	Very high	94.3	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-26.9	179.5	-81.3	78.9	0	0	0	113.4	Y95 F98 Y99 T160 C161 V166 I167 K168 E176 F180 K183 D237	Y95-W164 HydrophobicContact CE1-CZ2 4.32Å; F98-W164 HydrophobicContact CE1-CH2 4.49Å; F98-W164 HydrophobicContact CE1-CZ2 4.01Å; Y99-W164 AromaticContact CE1-NE1 3.66Å; Y99-W164 AromaticContact CZ-NE1 3.75Å; Y99-W164 PolarHBondContact OH-NE1 3.31Å; T160-W164 WeakPolarHBondContact O-CB 3.12Å; T160-W164 PolarHBondContact O-N 3.46Å; C161-W164 PolarHBondContact O-N 3.32Å; W164-V166 VanDerWaalsContact C-N 3.28Å; W164-V166 PolarHBondContact O-N 3.45Å; W164-I167 HydrophobicContact CD2-CD1 4.27Å; W164-I167 HydrophobicContact CG-CD1 4.44Å; W164-I167 PolarHBondContact O-N 2.96Å; W164-K168 VanDerWaalsContact O-CB 3.26Å; W164-K168 WeakPolarHBondContact O-CB 3.24Å; W164-K168 PolarHBondContact O-N 2.76Å; W164-E176 HydrophobicContact CH2-CG 4.42Å; W164-E176 HydrophobicContact CZ3-CB 3.95Å; W164-E176 HydrophobicContact CZ3-CG 4.03Å; W164-F180 HydrophobicContact CB-CD2 3.71Å; W164-F180 HydrophobicContact CE3-CB 4.48Å; W164-K183 HydrophobicContact CB-CD 4.28Å; W164-K183 HydrophobicContact CD2-CD 3.99Å; W164-K183 HydrophobicContact CG-CD 3.77Å; W164-D237 HydrophobicContact CH2-CB 3.75Å; W164-D237 WeakPolarHBondContact CH2-OD1 3.4Å; W164-D237 HydrophobicContact CZ2-CB 3.81Å; W164-D237 WeakPolarHBondContact CZ2-OD1 3.35Å; W164-D237 WeakPolarHBondContact CZ2-OD2 3.33Å
165	Q	95.3	Very high	93.9	Very high	91 Å²	91	58.1 Å²	58.1	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-36.2	168.9	-173.3	-176.9	-8	0	0	111.8	C161 L163 K169 F180	C161-Q165 WeakPolarHBondContact O-CB 3.41Å; C161-Q165 PolarHBondContact O-N 3.08Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 2.88Å; Q165-K169 WeakPolarHBondContact O-CG 3.46Å; Q165-F180 HydrophobicContact CB-CE2 3.73Å; Q165-F180 HydrophobicContact CB-CZ 4.05Å; Q165-F180 HydrophobicContact CG-CE2 4.43Å; Q165-F180 HydrophobicContact CG-CZ 4.25Å
166	V	94.2	Very high	93.6	Very high	21 Å²	21	56.3 Å²	56.3	13%	0.127	27%	0.274	C	S	.	.	H	α-helix	trans	-70.9	-47.9	174	-174.1	0	0	0	0	110.2	F103 R162 L163 W164 K168 K169 F170	F103-V166 HydrophobicContact CE1-CB 4.16Å; F103-V166 HydrophobicContact CE1-CG1 3.92Å; F103-V166 HydrophobicContact CZ-CB 4.39Å; R162-V166 PolarHBondContact O-N 2.96Å; L163-V166 WeakPolarHBondContact O-CA 3.29Å; L163-V166 WeakPolarHBondContact O-CB 3.44Å; L163-V166 PolarHBondContact O-N 3.34Å; W164-V166 VanDerWaalsContact C-N 3.28Å; W164-V166 PolarHBondContact O-N 3.45Å; V166-K168 VanDerWaalsContact C-N 3.3Å; V166-K168 PolarHBondContact O-N 3.26Å; V166-K169 WeakPolarHBondContact O-CB 3.32Å; V166-K169 PolarHBondContact O-N 2.66Å; V166-K169 VanDerWaalsContact O-N 3.08Å; V166-F170 HydrophobicContact CG1-CD2 4.48Å; V166-F170 HydrophobicContact CG1-CE2 4.2Å; V166-F170 WeakPolarHBondContact O-CD2 3.46Å
167	I	92.9	Very high	93.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-47.6	-179.7	-63.2	173.7	0	0	0	110.5	F98 Y99 R102 F103 L163 W164 K169 F170 S171	F98-I167 HydrophobicContact CE1-CD1 3.78Å; F98-I167 HydrophobicContact CZ-CD1 4.32Å; Y99-I167 HydrophobicContact CD1-CD1 4.31Å; Y99-I167 HydrophobicContact CE1-CD1 4.12Å; R102-I167 HydrophobicContact CG-CG1 4.35Å; F103-I167 HydrophobicContact CE1-CG1 4.46Å; F103-I167 HydrophobicContact CE2-CD1 4.29Å; F103-I167 HydrophobicContact CE2-CG1 4.33Å; F103-I167 HydrophobicContact CZ-CD1 4.1Å; F103-I167 HydrophobicContact CZ-CG1 3.66Å; L163-I167 WeakPolarHBondContact O-CG1 3.49Å; L163-I167 PolarHBondContact O-N 3.47Å; W164-I167 HydrophobicContact CD2-CD1 4.27Å; W164-I167 HydrophobicContact CG-CD1 4.44Å; W164-I167 PolarHBondContact O-N 2.96Å; I167-K169 PolarHBondContact O-N 2.94Å; I167-F170 CarbonylContact O-C 3.47Å; I167-F170 PolarHBondContact O-N 2.96Å; I167-S171 WeakPolarHBondContact O-CB 3.2Å; I167-S171 PolarHBondContact O-N 3.28Å
168	K	92.6	Very high	93.1	Very high	84 Å²	84	60.2 Å²	60.2	37%	0.365	30%	0.297	S	S	.	.	H	α-helix	trans	-54.8	-37.7	178.6	-174.9	-150.5	176.5	-177.4	0	112.8	W164 V166 F170 S171 I177 F180	W164-K168 VanDerWaalsContact O-CB 3.26Å; W164-K168 WeakPolarHBondContact O-CB 3.24Å; W164-K168 PolarHBondContact O-N 2.76Å; V166-K168 VanDerWaalsContact C-N 3.3Å; V166-K168 PolarHBondContact O-N 3.26Å; K168-F170 PolarHBondContact O-N 2.93Å; K168-F170 VanDerWaalsContact O-N 3.17Å; K168-S171 PolarHBondContact O-N 3.47Å; K168-I177 HydrophobicContact CG-CG1 4.47Å; K168-F180 HydrophobicContact CB-CG 4.44Å; K168-F180 HydrophobicContact CD-CD1 3.6Å; K168-F180 HydrophobicContact CD-CE1 3.73Å; K168-F180 HydrophobicContact CD-CG 4.31Å; K168-F180 HydrophobicContact CG-CD1 4.29Å
169	K	89.1	Confident	93	Very high	150 Å²	150	55.9 Å²	55.9	65%	0.652	27%	0.274	S	S	*	.	H	α-helix	trans	-60.6	-26.2	-179.7	-72.3	178.2	179.3	-173.6	0	112.8	Q165 V166 I167	Q165-K169 WeakPolarHBondContact O-CG 3.46Å; V166-K169 WeakPolarHBondContact O-CB 3.32Å; V166-K169 PolarHBondContact O-N 2.66Å; V166-K169 VanDerWaalsContact O-N 3.08Å; I167-K169 PolarHBondContact O-N 2.94Å
170	F	86	Confident	92.9	Very high	153 Å²	153	56.8 Å²	56.8	67%	0.671	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	20.9	-176.3	-54.3	-76.6	0	0	0	112.2	R102 V166 I167 K168	R102-F170 PolarHBondContact NH2-O 2.91Å; V166-F170 HydrophobicContact CG1-CD2 4.48Å; V166-F170 HydrophobicContact CG1-CE2 4.2Å; V166-F170 WeakPolarHBondContact O-CD2 3.46Å; I167-F170 CarbonylContact O-C 3.47Å; I167-F170 PolarHBondContact O-N 2.96Å; K168-F170 PolarHBondContact O-N 2.93Å; K168-F170 VanDerWaalsContact O-N 3.17Å
171	S	85.6	Confident	92.9	Very high	17 Å²	17	63.1 Å²	63.1	12%	0.119	30%	0.301	C	S	.	.			trans	-116.9	134	180	-174	0	0	0	0	111.4	I167 K168 N173 E176	I167-S171 WeakPolarHBondContact O-CB 3.2Å; I167-S171 PolarHBondContact O-N 3.28Å; K168-S171 PolarHBondContact O-N 3.47Å; S171-N173 PolarHBondContact OG-N 3.45Å; S171-N173 VanDerWaalsContact OG-N 3.14Å; S171-E176 WeakPolarHBondContact CB-OE2 3.23Å; S171-E176 PolarHBondContact OG-OE2 2.89Å
172	L	86.2	Confident	92.9	Very high	175 Å²	175	67.7 Å²	67.7	92%	0.916	32%	0.317	S	S	*	.			trans	-102.3	-0.7	169.3	-60.1	177	0	0	0	111.7	P174	L172-P174 WeakPolarHBondContact O-CD 3.31Å
173	N	88.8	Confident	92.9	Very high	54 Å²	54	62.4 Å²	62.4	29%	0.289	30%	0.297	S	S	.	.			trans	-77.2	118.9	-177	-176.4	-4.6	0	0	0	110.4	S171 E175 E176 I177	S171-N173 PolarHBondContact OG-N 3.45Å; S171-N173 VanDerWaalsContact OG-N 3.14Å; N173-E175 PolarHBondContact O-N 2.89Å; N173-E175 WeakPolarHBondContact OD1-CB 3.4Å; N173-E175 PolarHBondContact OD1-N 3.37Å; N173-E176 HydrophobicContact CB-CB 4.18Å; N173-E176 HydrophobicContact CB-CG 3.99Å; N173-E176 PolarHBondContact O-N 3.14Å; N173-I177 WeakPolarHBondContact O-CG1 3.5Å; N173-I177 PolarHBondContact O-N 2.82Å
174	P	90.4	Very high	93	Very high	90 Å²	90	64.5 Å²	64.5	58%	0.584	31%	0.31	S	S	*	.	H	α-helix	trans	-61.1	-29.6	178.7	25.2	-35.2	0	0	0	113.6	L172 I177 T178	L172-P174 WeakPolarHBondContact O-CD 3.31Å; P174-I177 PolarHBondContact O-N 3.24Å; P174-T178 WeakPolarHBondContact O-CB 3.48Å; P174-T178 PolarHBondContact O-N 2.78Å; P174-T178 PolarHBondContact O-OG1 3.28Å
175	E	91.9	Very high	93.1	Very high	76 Å²	76	71.4 Å²	71.4	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-44.3	177.3	-64.5	-177.1	157.6	0	0	111.2	N173 I177 T178 S179 W236	N173-E175 PolarHBondContact O-N 2.89Å; N173-E175 WeakPolarHBondContact OD1-CB 3.4Å; N173-E175 PolarHBondContact OD1-N 3.37Å; E175-I177 VanDerWaalsContact C-N 3.31Å; E175-I177 PolarHBondContact O-N 2.89Å; E175-T178 PolarHBondContact O-N 3.28Å; E175-S179 VanDerWaalsContact O-CB 3.3Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.18Å; E175-W236 HydrophobicContact CB-CB 4.38Å
176	E	91.3	Very high	93.3	Very high	33 Å²	33	68.1 Å²	68.1	15%	0.154	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-36.9	177	-69.9	-177.6	-170.8	0	0	111.8	W164 S171 N173 F180	W164-E176 HydrophobicContact CH2-CG 4.42Å; W164-E176 HydrophobicContact CZ3-CB 3.95Å; W164-E176 HydrophobicContact CZ3-CG 4.03Å; S171-E176 WeakPolarHBondContact CB-OE2 3.23Å; S171-E176 PolarHBondContact OG-OE2 2.89Å; N173-E176 HydrophobicContact CB-CB 4.18Å; N173-E176 HydrophobicContact CB-CG 3.99Å; N173-E176 PolarHBondContact O-N 3.14Å; E176-F180 WeakPolarHBondContact O-CB 3.3Å; E176-F180 PolarHBondContact O-N 3.5Å
177	I	93.1	Very high	93.5	Very high	44 Å²	44	68.6 Å²	68.6	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-44	175.1	-64.7	169.6	0	0	0	110.6	K168 N173 P174 E175 F180 R181	K168-I177 HydrophobicContact CG-CG1 4.47Å; N173-I177 WeakPolarHBondContact O-CG1 3.5Å; N173-I177 PolarHBondContact O-N 2.82Å; P174-I177 PolarHBondContact O-N 3.24Å; E175-I177 VanDerWaalsContact C-N 3.31Å; E175-I177 PolarHBondContact O-N 2.89Å; I177-F180 PolarHBondContact O-N 2.84Å; I177-R181 WeakPolarHBondContact O-CG 3.36Å; I177-R181 PolarHBondContact O-N 3.26Å; I177-R181 VanDerWaalsContact O-N 3.1Å
178	T	94.7	Very high	93.8	Very high	49 Å²	49	73.2 Å²	73.2	30%	0.301	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-47	178.4	-61.8	0	0	0	0	110.6	P174 E175 F180 R181 W182 W236	P174-T178 WeakPolarHBondContact O-CB 3.48Å; P174-T178 PolarHBondContact O-N 2.78Å; P174-T178 PolarHBondContact O-OG1 3.28Å; E175-T178 PolarHBondContact O-N 3.28Å; T178-F180 PolarHBondContact O-N 3Å; T178-R181 PolarHBondContact O-N 3.27Å; T178-W182 PolarHBondContact O-N 2.85Å; T178-W236 HydrophobicContact CG2-CD2 4.45Å; T178-W236 HydrophobicContact CG2-CZ2 4.24Å
179	S	95.9	Very high	94.1	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-56.6	-49.5	175.9	-176.5	0	0	0	0	112.4	E175 R181 W182 K183 D237	E175-S179 VanDerWaalsContact O-CB 3.3Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.18Å; S179-R181 VanDerWaalsContact C-N 3.34Å; S179-R181 PolarHBondContact O-N 3.3Å; S179-W182 PolarHBondContact O-N 2.88Å; S179-K183 WeakPolarHBondContact O-CG 3.37Å; S179-K183 PolarHBondContact O-N 3.29Å; S179-K183 PolarHBondContact OG-NZ 3.48Å; S179-D237 WeakPolarHBondContact CB-OD1 3.41Å; S179-D237 PolarHBondContact OG-OD1 2.84Å
180	F	97	Very high	94.5	Very high	26 Å²	26	66.1 Å²	66.1	11%	0.114	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-44.9	176.3	169.7	-103.5	0	0	0	112.5	W164 Q165 K168 E176 I177 T178 W182 K183 V184	W164-F180 HydrophobicContact CB-CD2 3.71Å; W164-F180 HydrophobicContact CE3-CB 4.48Å; Q165-F180 HydrophobicContact CB-CE2 3.73Å; Q165-F180 HydrophobicContact CB-CZ 4.05Å; Q165-F180 HydrophobicContact CG-CE2 4.43Å; Q165-F180 HydrophobicContact CG-CZ 4.25Å; K168-F180 HydrophobicContact CB-CG 4.44Å; K168-F180 HydrophobicContact CD-CD1 3.6Å; K168-F180 HydrophobicContact CD-CE1 3.73Å; K168-F180 HydrophobicContact CD-CG 4.31Å; K168-F180 HydrophobicContact CG-CD1 4.29Å; E176-F180 WeakPolarHBondContact O-CB 3.3Å; E176-F180 PolarHBondContact O-N 3.5Å; I177-F180 PolarHBondContact O-N 2.84Å; T178-F180 PolarHBondContact O-N 3Å; F180-W182 VanDerWaalsContact C-N 3.33Å; F180-W182 PolarHBondContact O-N 2.87Å; F180-K183 PolarHBondContact O-N 3.49Å; F180-V184 HydrophobicContact CD2-CG2 4.13Å; F180-V184 HydrophobicContact CE1-CG2 4.25Å; F180-V184 HydrophobicContact CE2-CG2 3.59Å; F180-V184 HydrophobicContact CZ-CG2 3.67Å; F180-V184 WeakPolarHBondContact O-CG2 3.47Å; F180-V184 PolarHBondContact O-N 2.82Å; F180-V184 VanDerWaalsContact O-N 3.08Å
181	R	97.1	Very high	95.1	Very high	135 Å²	135	60.9 Å²	60.9	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-43.7	178.8	-73.1	173.6	179.8	178.2	1.1	111.3	I177 T178 S179 R185	I177-R181 WeakPolarHBondContact O-CG 3.36Å; I177-R181 PolarHBondContact O-N 3.26Å; I177-R181 VanDerWaalsContact O-N 3.1Å; T178-R181 PolarHBondContact O-N 3.27Å; S179-R181 VanDerWaalsContact C-N 3.34Å; S179-R181 PolarHBondContact O-N 3.3Å; R181-R185 VanDerWaalsContact O-CG 3.28Å; R181-R185 WeakPolarHBondContact O-CG 3.4Å; R181-R185 PolarHBondContact O-N 3.4Å; R181-R185 VanDerWaalsContact O-N 3.09Å
182	W	98.2	Very high	95.7	Very high	108 Å²	108	63.1 Å²	63.1	41%	0.409	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-42.9	177.5	-82.3	109.6	0	0	0	112.6	T178 S179 F180 V184 R185 L186 T233 W236	T178-W182 PolarHBondContact O-N 2.85Å; S179-W182 PolarHBondContact O-N 2.88Å; F180-W182 VanDerWaalsContact C-N 3.33Å; F180-W182 PolarHBondContact O-N 2.87Å; W182-V184 VanDerWaalsContact C-N 3.34Å; W182-V184 PolarHBondContact O-N 3.12Å; W182-R185 PolarHBondContact O-N 3.28Å; W182-L186 HydrophobicContact CB-CD1 4.42Å; W182-L186 HydrophobicContact CE3-CD1 4.42Å; W182-L186 HydrophobicContact CE3-CG 4.37Å; W182-L186 VanDerWaalsContact O-CB 3.31Å; W182-L186 WeakPolarHBondContact O-CB 3.48Å; W182-L186 WeakPolarHBondContact O-CD1 3.37Å; W182-L186 VanDerWaalsContact O-CG 3.24Å; W182-L186 WeakPolarHBondContact O-CG 3.36Å; W182-L186 PolarHBondContact O-N 3Å; W182-T233 HydrophobicContact CB-CG2 4.14Å; W182-W236 HydrophobicContact CB-CH2 4.44Å; W182-W236 HydrophobicContact CB-CZ3 3.88Å; W182-W236 AromaticContact CD1-CH2 3.4Å; W182-W236 VanDerWaalsContact CD1-CH2 3.4Å; W182-W236 AromaticContact CD1-CZ3 3.59Å; W182-W236 HydrophobicContact CD2-CH2 4.45Å; W182-W236 AromaticContact CG-CH2 3.88Å; W182-W236 HydrophobicContact CG-CH2 3.88Å; W182-W236 AromaticContact CG-CZ3 3.82Å; W182-W236 HydrophobicContact CG-CZ3 3.82Å; W182-W236 AromaticContact NE1-CH2 3.72Å
183	K	98.4	Very high	96.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-52.7	-50.3	174	-76.6	172.9	166.5	66.1	0	111.8	T160 W164 S179 F180 L186 F187 F230 T233 D237	T160-K183 HydrophobicContact CG2-CD 3.92Å; W164-K183 HydrophobicContact CB-CD 4.28Å; W164-K183 HydrophobicContact CD2-CD 3.99Å; W164-K183 HydrophobicContact CG-CD 3.77Å; S179-K183 WeakPolarHBondContact O-CG 3.37Å; S179-K183 PolarHBondContact O-N 3.29Å; S179-K183 PolarHBondContact OG-NZ 3.48Å; F180-K183 PolarHBondContact O-N 3.49Å; K183-L186 PolarHBondContact O-N 3.01Å; K183-F187 VanDerWaalsContact O-CB 3.3Å; K183-F187 WeakPolarHBondContact O-CB 3.16Å; K183-F187 PolarHBondContact O-N 3.35Å; K183-F230 HydrophobicContact CB-CD2 4.37Å; K183-F230 HydrophobicContact CB-CE2 3.67Å; K183-F230 HydrophobicContact CB-CZ 4.13Å; K183-F230 HydrophobicContact CD-CZ 4.48Å; K183-F230 HydrophobicContact CG-CD2 4.44Å; K183-F230 HydrophobicContact CG-CE2 3.88Å; K183-F230 HydrophobicContact CG-CZ 3.97Å; K183-F230 WeakPolarHBondContact O-CE2 3.41Å; K183-T233 HydrophobicContact CG-CG2 4.07Å; K183-T233 PolarHBondContact NZ-OG1 2.95Å; K183-D237 VanDerWaalsContact NZ-CG 3.33Å; K183-D237 IonicContact NZ-OD1 3.93Å; K183-D237 PolarHBondContact NZ-OD1 3.27Å; K183-D237 IonicContact NZ-OD2 3.24Å; K183-D237 PolarHBondContact NZ-OD2 3.49Å
184	V	98.5	Very high	96.8	Very high	44 Å²	44	56.2 Å²	56.2	27%	0.267	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-44.9	179.5	174.7	0	0	0	0	111.6	C161 F180 W182 L186 F187 L188	C161-V184 HydrophobicContact CB-CG2 4.33Å; F180-V184 HydrophobicContact CD2-CG2 4.13Å; F180-V184 HydrophobicContact CE1-CG2 4.25Å; F180-V184 HydrophobicContact CE2-CG2 3.59Å; F180-V184 HydrophobicContact CZ-CG2 3.67Å; F180-V184 WeakPolarHBondContact O-CG2 3.47Å; F180-V184 PolarHBondContact O-N 2.82Å; F180-V184 VanDerWaalsContact O-N 3.08Å; W182-V184 VanDerWaalsContact C-N 3.34Å; W182-V184 PolarHBondContact O-N 3.12Å; V184-L186 PolarHBondContact O-N 3.05Å; V184-F187 PolarHBondContact O-N 3.05Å; V184-L188 HydrophobicContact CG1-CD1 4.05Å; V184-L188 HydrophobicContact CG1-CG 4.43Å; V184-L188 WeakPolarHBondContact O-CG 3.42Å; V184-L188 PolarHBondContact O-N 2.96Å
185	R	98.6	Very high	97.2	Very high	147 Å²	147	57.6 Å²	57.6	56%	0.555	28%	0.277	S	S	*	.	H	α-helix	trans	-60.1	-46.7	177.9	-73.8	172.1	-177.7	175	-1.6	111.9	R181 W182 L188 F189	R181-R185 VanDerWaalsContact O-CG 3.28Å; R181-R185 WeakPolarHBondContact O-CG 3.4Å; R181-R185 PolarHBondContact O-N 3.4Å; R181-R185 VanDerWaalsContact O-N 3.09Å; W182-R185 PolarHBondContact O-N 3.28Å; R185-L188 PolarHBondContact O-N 3.41Å; R185-F189 VanDerWaalsContact O-CB 3.28Å; R185-F189 WeakPolarHBondContact O-CB 3.35Å; R185-F189 PolarHBondContact O-N 3.46Å
186	L	98.6	Very high	97.5	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-39.4	-179.1	-70.2	166	0	0	0	111.6	W182 K183 V184 F189 N190 A229 F230 T233	W182-L186 HydrophobicContact CB-CD1 4.42Å; W182-L186 HydrophobicContact CE3-CD1 4.42Å; W182-L186 HydrophobicContact CE3-CG 4.37Å; W182-L186 VanDerWaalsContact O-CB 3.31Å; W182-L186 WeakPolarHBondContact O-CB 3.48Å; W182-L186 WeakPolarHBondContact O-CD1 3.37Å; W182-L186 VanDerWaalsContact O-CG 3.24Å; W182-L186 WeakPolarHBondContact O-CG 3.36Å; W182-L186 PolarHBondContact O-N 3Å; K183-L186 PolarHBondContact O-N 3.01Å; V184-L186 PolarHBondContact O-N 3.05Å; L186-F189 PolarHBondContact O-N 3.44Å; L186-N190 WeakPolarHBondContact O-CB 3.28Å; L186-N190 PolarHBondContact O-N 3.41Å; L186-A229 HydrophobicContact CD1-CB 4.02Å; L186-A229 HydrophobicContact CD2-CB 3.79Å; L186-F230 HydrophobicContact CB-CB 4.31Å; L186-F230 HydrophobicContact CB-CD2 4.05Å; L186-F230 HydrophobicContact CD1-CB 4.41Å; L186-T233 HydrophobicContact CD1-CG2 4.02Å
187	F	98.8	Very high	97.8	Very high	32 Å²	32	55.6 Å²	55.6	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-49.6	173.6	170.8	-115.6	0	0	0	112	L154 M157 L158 K183 V184 F189 N190 V191 F230	L154-F187 HydrophobicContact CD2-CE2 4.48Å; M157-F187 HydrophobicContact CB-CB 4.36Å; M157-F187 HydrophobicContact CB-CD2 3.53Å; M157-F187 HydrophobicContact CB-CE2 4.25Å; M157-F187 HydrophobicContact CB-CG 4.28Å; M157-F187 HydrophobicContact SD-CD2 4.32Å; L158-F187 HydrophobicContact CB-CE2 3.95Å; L158-F187 HydrophobicContact CB-CZ 3.86Å; L158-F187 HydrophobicContact CD1-CE1 3.96Å; L158-F187 HydrophobicContact CD1-CZ 3.8Å; L158-F187 HydrophobicContact CG-CZ 4.36Å; K183-F187 VanDerWaalsContact O-CB 3.3Å; K183-F187 WeakPolarHBondContact O-CB 3.16Å; K183-F187 PolarHBondContact O-N 3.35Å; V184-F187 PolarHBondContact O-N 3.05Å; F187-F189 PolarHBondContact O-N 3.27Å; F187-N190 PolarHBondContact O-N 2.98Å; F187-V191 HydrophobicContact CD2-CG2 3.97Å; F187-V191 HydrophobicContact CE1-CG2 4.4Å; F187-V191 HydrophobicContact CE2-CG2 3.49Å; F187-V191 VanDerWaalsContact CE2-CG2 3.49Å; F187-V191 HydrophobicContact CZ-CG2 3.73Å; F187-V191 WeakPolarHBondContact O-CG2 3.33Å; F187-V191 PolarHBondContact O-N 2.87Å; F187-F230 HydrophobicContact CB-CE2 4.39Å
188	L	98.7	Very high	98.1	Very high	99 Å²	99	56.4 Å²	56.4	52%	0.518	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-45	178.8	-68.9	176	0	0	0	111.4	V184 R185 N190 V191 S192	V184-L188 HydrophobicContact CG1-CD1 4.05Å; V184-L188 HydrophobicContact CG1-CG 4.43Å; V184-L188 WeakPolarHBondContact O-CG 3.42Å; V184-L188 PolarHBondContact O-N 2.96Å; R185-L188 PolarHBondContact O-N 3.41Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 2.69Å; L188-V191 PolarHBondContact O-N 2.54Å; L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3.04Å; L188-S192 PolarHBondContact O-OG 3.13Å; L188-S192 VanDerWaalsContact O-OG 3.05Å
189	F	98.7	Very high	98.2	Very high	83 Å²	83	60 Å²	60	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-57	-48	174.7	-176.3	-84.3	0	0	0	111.3	R185 L186 F187 S192 F193 L222	R185-F189 VanDerWaalsContact O-CB 3.28Å; R185-F189 WeakPolarHBondContact O-CB 3.35Å; R185-F189 PolarHBondContact O-N 3.46Å; L186-F189 PolarHBondContact O-N 3.44Å; F187-F189 PolarHBondContact O-N 3.27Å; F189-S192 PolarHBondContact O-N 3.42Å; F189-F193 AromaticContact CD1-CD2 3.72Å; F189-F193 HydrophobicContact CD1-CD2 3.72Å; F189-F193 HydrophobicContact CD1-CE2 4.15Å; F189-F193 HydrophobicContact CD2-CD2 4.12Å; F189-F193 AromaticContact CD2-CE2 3.8Å; F189-F193 HydrophobicContact CD2-CE2 3.8Å; F189-F193 AromaticContact CE1-CD2 3.44Å; F189-F193 HydrophobicContact CE1-CD2 3.44Å; F189-F193 VanDerWaalsContact CE1-CD2 3.44Å; F189-F193 AromaticContact CE1-CE2 3.67Å; F189-F193 HydrophobicContact CE1-CE2 3.67Å; F189-F193 HydrophobicContact CE1-CG 4.39Å; F189-F193 AromaticContact CE2-CD2 3.89Å; F189-F193 HydrophobicContact CE2-CD2 3.89Å; F189-F193 AromaticContact CE2-CE2 3.28Å; F189-F193 HydrophobicContact CE2-CE2 3.28Å; F189-F193 HydrophobicContact CE2-CZ 4.23Å; F189-F193 HydrophobicContact CG-CD2 4.05Å; F189-F193 HydrophobicContact CG-CE2 4.21Å; F189-F193 AromaticContact CZ-CD2 3.54Å; F189-F193 HydrophobicContact CZ-CD2 3.54Å; F189-F193 AromaticContact CZ-CE2 3.2Å; F189-F193 HydrophobicContact CZ-CE2 3.2Å; F189-F193 HydrophobicContact CZ-CZ 4.05Å; F189-F193 WeakPolarHBondContact O-CD2 3.37Å; F189-F193 PolarHBondContact O-N 3.27Å; F189-L222 HydrophobicContact CE1-CB 4.09Å; F189-L222 HydrophobicContact CZ-CB 4.38Å; F189-L222 HydrophobicContact CZ-CD2 4.39Å
190	N	98.6	Very high	98.4	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-46.5	-179.7	-168.5	-79.1	0	0	0	112.1	L154 M157 L186 F187 L188 S192 F193 C194 V223 S226	L154-N190 WeakPolarHBondContact CD2-OD1 3.4Å; M157-N190 HydrophobicContact SD-CB 4.19Å; L186-N190 WeakPolarHBondContact O-CB 3.28Å; L186-N190 PolarHBondContact O-N 3.41Å; F187-N190 PolarHBondContact O-N 2.98Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 2.69Å; N190-S192 PolarHBondContact O-N 2.93Å; N190-F193 PolarHBondContact O-N 2.87Å; N190-C194 WeakPolarHBondContact O-CB 3.07Å; N190-C194 PolarHBondContact O-N 2.94Å; N190-C194 PolarHBondContact O-SG 3.48Å; N190-V223 PolarHBondContact ND2-O 3.32Å; N190-S226 PolarHBondContact ND2-OG 2.95Å
191	V	98.7	Very high	98.4	Very high	43 Å²	43	64.9 Å²	64.9	26%	0.261	31%	0.314	S	S	.	.	H	α-helix	trans	-60.3	-45.6	175.8	170.6	0	0	0	0	111	L154 F187 L188 F193 C194 L195	L154-V191 HydrophobicContact CD2-CG2 3.7Å; F187-V191 HydrophobicContact CD2-CG2 3.97Å; F187-V191 HydrophobicContact CE1-CG2 4.4Å; F187-V191 HydrophobicContact CE2-CG2 3.49Å; F187-V191 VanDerWaalsContact CE2-CG2 3.49Å; F187-V191 HydrophobicContact CZ-CG2 3.73Å; F187-V191 WeakPolarHBondContact O-CG2 3.33Å; F187-V191 PolarHBondContact O-N 2.87Å; L188-V191 PolarHBondContact O-N 2.54Å; V191-F193 PolarHBondContact O-N 3.46Å; V191-C194 WeakPolarHBondContact O-CB 3.4Å; V191-C194 PolarHBondContact O-N 3.02Å; V191-L195 HydrophobicContact CG1-CD1 4.14Å; V191-L195 WeakPolarHBondContact O-CG 3.11Å; V191-L195 PolarHBondContact O-N 2.94Å
192	S	98.6	Very high	98.4	Very high	65 Å²	65	67.2 Å²	67.2	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-58.8	-49.1	178.3	-64.6	0	0	0	0	111.7	L188 F189 N190 L195 V196	L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3.04Å; L188-S192 PolarHBondContact O-OG 3.13Å; L188-S192 VanDerWaalsContact O-OG 3.05Å; F189-S192 PolarHBondContact O-N 3.42Å; N190-S192 PolarHBondContact O-N 2.93Å; S192-L195 PolarHBondContact O-N 3.28Å; S192-V196 VanDerWaalsContact O-CG2 3.31Å; S192-V196 WeakPolarHBondContact O-CG2 3.17Å; S192-V196 PolarHBondContact O-N 3.26Å
193	F	98.6	Very high	98.4	Very high	53 Å²	53	65.8 Å²	65.8	23%	0.232	32%	0.317	C	S	.	.	H	α-helix	trans	-70.5	-30.5	179	-80.9	-77.8	0	0	0	113.3	F189 N190 V191 V196 A197 C219 L222 V223	F189-F193 AromaticContact CD1-CD2 3.72Å; F189-F193 HydrophobicContact CD1-CD2 3.72Å; F189-F193 HydrophobicContact CD1-CE2 4.15Å; F189-F193 HydrophobicContact CD2-CD2 4.12Å; F189-F193 AromaticContact CD2-CE2 3.8Å; F189-F193 HydrophobicContact CD2-CE2 3.8Å; F189-F193 AromaticContact CE1-CD2 3.44Å; F189-F193 HydrophobicContact CE1-CD2 3.44Å; F189-F193 VanDerWaalsContact CE1-CD2 3.44Å; F189-F193 AromaticContact CE1-CE2 3.67Å; F189-F193 HydrophobicContact CE1-CE2 3.67Å; F189-F193 HydrophobicContact CE1-CG 4.39Å; F189-F193 AromaticContact CE2-CD2 3.89Å; F189-F193 HydrophobicContact CE2-CD2 3.89Å; F189-F193 AromaticContact CE2-CE2 3.28Å; F189-F193 HydrophobicContact CE2-CE2 3.28Å; F189-F193 HydrophobicContact CE2-CZ 4.23Å; F189-F193 HydrophobicContact CG-CD2 4.05Å; F189-F193 HydrophobicContact CG-CE2 4.21Å; F189-F193 AromaticContact CZ-CD2 3.54Å; F189-F193 HydrophobicContact CZ-CD2 3.54Å; F189-F193 AromaticContact CZ-CE2 3.2Å; F189-F193 HydrophobicContact CZ-CE2 3.2Å; F189-F193 HydrophobicContact CZ-CZ 4.05Å; F189-F193 WeakPolarHBondContact O-CD2 3.37Å; F189-F193 PolarHBondContact O-N 3.27Å; N190-F193 PolarHBondContact O-N 2.87Å; V191-F193 PolarHBondContact O-N 3.46Å; F193-V196 PolarHBondContact O-N 3.25Å; F193-A197 WeakPolarHBondContact O-CB 3.45Å; F193-A197 PolarHBondContact O-N 3.09Å; F193-C219 HydrophobicContact CD1-CB 4.19Å; F193-L222 HydrophobicContact CD1-CB 4.09Å; F193-L222 HydrophobicContact CD1-CD1 3.69Å; F193-L222 HydrophobicContact CD2-CB 4.37Å; F193-L222 HydrophobicContact CE1-CB 4.44Å; F193-L222 HydrophobicContact CE1-CD1 3.26Å; F193-L222 HydrophobicContact CE1-CG 4.47Å; F193-L222 HydrophobicContact CE2-CD1 4.27Å; F193-L222 HydrophobicContact CG-CB 4.05Å; F193-L222 HydrophobicContact CG-CD1 4.34Å; F193-L222 HydrophobicContact CZ-CD1 3.59Å; F193-V223 HydrophobicContact CB-CG2 3.7Å
194	C	98.3	Very high	98.4	Very high	31 Å²	31	65.8 Å²	65.8	21%	0.209	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-45.5	169.8	-79.4	0	0	0	0	111.6	N190 V191 A197 A198 V223	N190-C194 WeakPolarHBondContact O-CB 3.07Å; N190-C194 PolarHBondContact O-N 2.94Å; N190-C194 PolarHBondContact O-SG 3.48Å; V191-C194 WeakPolarHBondContact O-CB 3.4Å; V191-C194 PolarHBondContact O-N 3.02Å; C194-A197 PolarHBondContact O-N 3.14Å; C194-A198 WeakPolarHBondContact O-CB 3.32Å; C194-A198 PolarHBondContact O-N 2.8Å; C194-V223 HydrophobicContact CB-CG2 4.41Å
195	L	98.5	Very high	98.3	Very high	119 Å²	119	66.7 Å²	66.7	62%	0.623	32%	0.321	S	S	*	.	H	α-helix	trans	-66.5	-42.5	178.8	-68.2	172.5	0	0	0	111.9	V191 S192 A198 Y199	V191-L195 HydrophobicContact CG1-CD1 4.14Å; V191-L195 WeakPolarHBondContact O-CG 3.11Å; V191-L195 PolarHBondContact O-N 2.94Å; S192-L195 PolarHBondContact O-N 3.28Å; L195-A198 PolarHBondContact O-N 3.27Å; L195-Y199 PolarHBondContact O-N 3.38Å
196	V	98.6	Very high	98.2	Very high	57 Å²	57	65.9 Å²	65.9	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-40.4	177.3	176.6	0	0	0	0	111.1	S192 F193 Y199 F200	S192-V196 VanDerWaalsContact O-CG2 3.31Å; S192-V196 WeakPolarHBondContact O-CG2 3.17Å; S192-V196 PolarHBondContact O-N 3.26Å; F193-V196 PolarHBondContact O-N 3.25Å; V196-Y199 WeakPolarHBondContact O-CB 3.41Å; V196-Y199 PolarHBondContact O-N 3.15Å; V196-F200 HydrophobicContact CG1-CD2 3.68Å; V196-F200 HydrophobicContact CG1-CE2 3.3Å; V196-F200 HydrophobicContact CG1-CZ 4.12Å; V196-F200 WeakPolarHBondContact O-CD2 3.33Å; V196-F200 PolarHBondContact O-N 2.72Å
197	A	98.3	Very high	98.2	Very high	10 Å²	10	71.4 Å²	71.4	8%	0.083	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-47.9	173	0	0	0	0	0	111.1	F193 C194 Y199 F200 Y201 F216 C219	F193-A197 WeakPolarHBondContact O-CB 3.45Å; F193-A197 PolarHBondContact O-N 3.09Å; C194-A197 PolarHBondContact O-N 3.14Å; A197-Y199 VanDerWaalsContact C-N 3.27Å; A197-Y199 PolarHBondContact O-N 3.17Å; A197-F200 PolarHBondContact O-N 2.96Å; A197-Y201 WeakPolarHBondContact O-CB 3.5Å; A197-Y201 PolarHBondContact O-N 3Å; A197-F216 HydrophobicContact CB-CD2 4.11Å; A197-F216 HydrophobicContact CB-CE2 4.31Å; A197-F216 WeakPolarHBondContact O-CD2 3.38Å; A197-C219 HydrophobicContact CB-CB 3.66Å
198	A	97.9	Very high	98.1	Very high	60 Å²	60	72.1 Å²	72.1	50%	0.496	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-38.9	177.4	0	0	0	0	0	112.2	C194 L195 R202	C194-A198 WeakPolarHBondContact O-CB 3.32Å; C194-A198 PolarHBondContact O-N 2.8Å; L195-A198 PolarHBondContact O-N 3.27Å; A198-R202 WeakPolarHBondContact O-CB 3.39Å; A198-R202 PolarHBondContact O-N 3.3Å
199	Y	98.4	Very high	98.1	Very high	124 Å²	124	70.4 Å²	70.4	49%	0.486	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-53.3	173.4	169.3	-96.7	0	0	0	112	L195 V196 A197 Y201 R202 R203	L195-Y199 PolarHBondContact O-N 3.38Å; V196-Y199 WeakPolarHBondContact O-CB 3.41Å; V196-Y199 PolarHBondContact O-N 3.15Å; A197-Y199 VanDerWaalsContact C-N 3.27Å; A197-Y199 PolarHBondContact O-N 3.17Å; Y199-Y201 PolarHBondContact O-N 3.08Å; Y199-R202 PolarHBondContact O-N 3.43Å; Y199-R203 WeakPolarHBondContact O-CB 3.35Å; Y199-R203 PolarHBondContact O-N 3.36Å; Y199-R203 PolarHBondContact OH-NH1 3.05Å
200	F	98.6	Very high	98	Very high	38 Å²	38	69.9 Å²	69.9	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-39.5	-179.2	-71.5	-46.7	0	0	0	112.3	V196 A197 R202 R203 H204 I212 L215 F216	V196-F200 HydrophobicContact CG1-CD2 3.68Å; V196-F200 HydrophobicContact CG1-CE2 3.3Å; V196-F200 HydrophobicContact CG1-CZ 4.12Å; V196-F200 WeakPolarHBondContact O-CD2 3.33Å; V196-F200 PolarHBondContact O-N 2.72Å; A197-F200 PolarHBondContact O-N 2.96Å; F200-R202 PolarHBondContact O-N 2.62Å; F200-R203 PolarHBondContact O-N 3.44Å; F200-H204 WeakPolarHBondContact O-CB 3.23Å; F200-H204 PolarHBondContact O-N 2.9Å; F200-I212 HydrophobicContact CB-CG2 4.18Å; F200-I212 HydrophobicContact CD1-CG2 4.1Å; F200-I212 WeakPolarHBondContact O-CG2 3.31Å; F200-L215 HydrophobicContact CD1-CB 4.26Å; F200-L215 HydrophobicContact CD1-CD1 4.38Å; F200-L215 HydrophobicContact CD2-CB 3.71Å; F200-L215 HydrophobicContact CE1-CB 4.26Å; F200-L215 HydrophobicContact CE1-CD1 3.8Å; F200-L215 HydrophobicContact CE2-CB 3.7Å; F200-L215 HydrophobicContact CE2-CD1 4.34Å; F200-L215 HydrophobicContact CG-CB 4.02Å; F200-L215 HydrophobicContact CZ-CB 4Å; F200-L215 HydrophobicContact CZ-CD1 3.78Å; F200-L215 HydrophobicContact CZ-CG 4.48Å; F200-F216 HydrophobicContact CB-CB 3.84Å
201	Y	97.1	Very high	97.9	Very high	91 Å²	91	73.5 Å²	73.5	36%	0.357	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-48.3	174.1	-175.4	-99.8	0	0	0	111.4	A197 Y199 R203 N205 F216	A197-Y201 WeakPolarHBondContact O-CB 3.5Å; A197-Y201 PolarHBondContact O-N 3Å; Y199-Y201 PolarHBondContact O-N 3.08Å; Y201-R203 PolarHBondContact O-N 2.91Å; Y201-N205 WeakPolarHBondContact CD1-ND2 3.33Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.35Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3.47Å; Y201-N205 PolarHBondContact O-N 3.28Å; Y201-N205 VanDerWaalsContact O-N 3.11Å; Y201-N205 PolarHBondContact O-ND2 3.23Å; Y201-F216 HydrophobicContact CD2-CD1 4.38Å; Y201-F216 HydrophobicContact CD2-CD2 4.25Å; Y201-F216 HydrophobicContact CD2-CE1 4.04Å; Y201-F216 AromaticContact CD2-CE2 3.88Å; Y201-F216 HydrophobicContact CD2-CE2 3.88Å; Y201-F216 HydrophobicContact CD2-CG 4.47Å; Y201-F216 AromaticContact CD2-CZ 3.76Å; Y201-F216 HydrophobicContact CD2-CZ 3.76Å; Y201-F216 HydrophobicContact CE2-CZ 4.47Å; Y201-F216 HydrophobicContact CG-CD2 4.43Å; Y201-F216 HydrophobicContact CG-CE2 4.18Å; Y201-F216 HydrophobicContact CG-CZ 4.49Å
202	R	98	Very high	97.9	Very high	185 Å²	185	72.4 Å²	72.4	70%	0.698	36%	0.355	S	S	*	.	H	α-helix	trans	-64.1	-40.7	177.6	-176.5	-177.9	172.6	92.2	-1.8	111.8	A198 Y199 F200 K206	A198-R202 WeakPolarHBondContact O-CB 3.39Å; A198-R202 PolarHBondContact O-N 3.3Å; Y199-R202 PolarHBondContact O-N 3.43Å; F200-R202 PolarHBondContact O-N 2.62Å; R202-K206 WeakPolarHBondContact O-CB 3.4Å; R202-K206 PolarHBondContact O-N 2.91Å; R202-K206 VanDerWaalsContact O-N 3.17Å
203	R	98.2	Very high	97.9	Very high	77 Å²	77	70.9 Å²	70.9	29%	0.291	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-48	179	-176.2	175.6	178	134.6	6.2	111.1	Y199 F200 Y201 N205 K206 Y207 E209 I212	Y199-R203 WeakPolarHBondContact O-CB 3.35Å; Y199-R203 PolarHBondContact O-N 3.36Å; Y199-R203 PolarHBondContact OH-NH1 3.05Å; F200-R203 PolarHBondContact O-N 3.44Å; Y201-R203 PolarHBondContact O-N 2.91Å; R203-N205 PolarHBondContact O-N 3.48Å; R203-K206 PolarHBondContact O-N 3.34Å; R203-Y207 HydrophobicContact CG-CD2 3.92Å; R203-Y207 WeakPolarHBondContact O-CD2 3.44Å; R203-Y207 PolarHBondContact O-N 3.45Å; R203-E209 IonicContact CZ-OE1 3.76Å; R203-E209 IonicContact CZ-OE2 3.25Å; R203-E209 VanDerWaalsContact CZ-OE2 3.25Å; R203-E209 IonicContact NE-OE1 3.87Å; R203-E209 IonicContact NE-OE2 3.13Å; R203-E209 PolarHBondContact NE-OE2 2.85Å; R203-E209 VanDerWaalsContact NH2-CD 3.3Å; R203-E209 IonicContact NH2-OE1 2.78Å; R203-E209 PolarHBondContact NH2-OE1 3.02Å; R203-E209 IonicContact NH2-OE2 3.03Å; R203-E209 PolarHBondContact NH2-OE2 3.19Å; R203-I212 HydrophobicContact CB-CG2 4.04Å; R203-I212 HydrophobicContact CG-CG2 4.09Å
204	H	97.8	Very high	97.8	Very high	1 Å²	1	69 Å²	69	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-52.2	176.9	-172.3	66.6	0	0	0	111.6	T53 F200 K206 C208 I212 Y213	T53-H204 PolarHBondContact OG1-NE2 2.99Å; T53-H204 VanDerWaalsContact OG1-NE2 3.09Å; F200-H204 WeakPolarHBondContact O-CB 3.23Å; F200-H204 PolarHBondContact O-N 2.9Å; H204-K206 PolarHBondContact O-N 3.49Å; H204-K206 VanDerWaalsContact O-N 3.16Å; H204-C208 WeakPolarHBondContact O-CA 3.39Å; H204-C208 PolarHBondContact O-N 2.95Å; H204-I212 HydrophobicContact CB-CB 4.37Å; H204-I212 HydrophobicContact CB-CG2 3.91Å; H204-Y213 AromaticContact CD2-CD2 3.5Å; H204-Y213 AromaticContact CG-CD2 3.96Å; H204-Y213 AromaticContact NE2-CD2 3.95Å
205	N	96.6	Very high	97.9	Very high	63 Å²	63	70.4 Å²	70.4	34%	0.337	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-16	-178.3	-71.3	-61.2	0	0	0	114	H54 Y201 R203	H54-N205 PolarHBondContact CE1-OD1 2.86Å; Y201-N205 WeakPolarHBondContact CD1-ND2 3.33Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.35Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3.47Å; Y201-N205 PolarHBondContact O-N 3.28Å; Y201-N205 VanDerWaalsContact O-N 3.11Å; Y201-N205 PolarHBondContact O-ND2 3.23Å; R203-N205 PolarHBondContact O-N 3.48Å
206	K	97.8	Very high	97.9	Very high	130 Å²	130	65.5 Å²	65.5	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-99.6	-39.7	-179.9	-174.7	175.1	177.3	-164.4	0	113.1	R202 R203 H204	R202-K206 WeakPolarHBondContact O-CB 3.4Å; R202-K206 PolarHBondContact O-N 2.91Å; R202-K206 VanDerWaalsContact O-N 3.17Å; R203-K206 PolarHBondContact O-N 3.34Å; H204-K206 PolarHBondContact O-N 3.49Å; H204-K206 VanDerWaalsContact O-N 3.16Å
207	Y	97.7	Very high	97.8	Very high	138 Å²	138	62.8 Å²	62.8	54%	0.541	30%	0.295	S	S	.	.	H	α-helix	trans	-113.3	-13	-170.1	-59.4	-75	0	0	0	113.5	R203 E209	R203-Y207 HydrophobicContact CG-CD2 3.92Å; R203-Y207 WeakPolarHBondContact O-CD2 3.44Å; R203-Y207 PolarHBondContact O-N 3.45Å; Y207-E209 PolarHBondContact O-N 3.46Å
208	C	97.3	Very high	97.9	Very high	47 Å²	47	65.8 Å²	65.8	32%	0.318	31%	0.31	S	S	.	.			trans	49.1	40.3	-178.4	-72.4	0	0	0	0	113.3	C55 V57 H204	C55-C208 HydrophobicContact CB-CB 3.48Å; C55-C208 VanDerWaalsContact CB-CB 3.48Å; C55-C208 WeakPolarHBondContact CB-SG 3.34Å; C55-C208 WeakPolarHBondContact SG-CA 2.99Å; C55-C208 WeakPolarHBondContact SG-CB 3.41Å; C55-C208 CovalentContact SG-SG 2.05Å; C55-C208 PolarHBondContact SG-SG 3.28Å; V57-C208 WeakPolarHBondContact CG1-O 3.19Å; H204-C208 WeakPolarHBondContact O-CA 3.39Å; H204-C208 PolarHBondContact O-N 2.95Å
209	E	97.3	Very high	97.9	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	29%	0.288	S	S	.	.			trans	-77.7	142	178.4	-71.6	166.7	121.9	0	0	110.8	R203 Y207 I212	R203-E209 IonicContact CZ-OE1 3.76Å; R203-E209 IonicContact CZ-OE2 3.25Å; R203-E209 VanDerWaalsContact CZ-OE2 3.25Å; R203-E209 IonicContact NE-OE1 3.87Å; R203-E209 IonicContact NE-OE2 3.13Å; R203-E209 PolarHBondContact NE-OE2 2.85Å; R203-E209 VanDerWaalsContact NH2-CD 3.3Å; R203-E209 IonicContact NH2-OE1 2.78Å; R203-E209 PolarHBondContact NH2-OE1 3.02Å; R203-E209 IonicContact NH2-OE2 3.03Å; R203-E209 PolarHBondContact NH2-OE2 3.19Å; Y207-E209 PolarHBondContact O-N 3.46Å; E209-I212 HydrophobicContact CB-CG1 3.58Å
210	P	97.1	Very high	97.9	Very high	73 Å²	73	58 Å²	58	47%	0.474	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	150.4	177.5	27.2	-35	0	0	0	110.9	V57 I212	V57-P210 HydrophobicContact CB-CB 4.41Å; P210-I212 PolarHBondContact O-N 2.86Å
211	I	96.9	Very high	97.9	Very high	77 Å²	77	57.3 Å²	57.3	40%	0.395	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	-17.5	175.8	-54.1	166.1	0	0	0	114.5	P58 Y60 Y213 T214 L215	P58-I211 PolarHBondContact O-N 3.09Å; Y60-I211 HydrophobicContact CD2-CG1 4.25Å; Y60-I211 HydrophobicContact CE2-CD1 4.26Å; Y60-I211 HydrophobicContact CE2-CG1 3.88Å; I211-Y213 VanDerWaalsContact C-N 3.3Å; I211-Y213 PolarHBondContact O-N 3.33Å; I211-T214 WeakPolarHBondContact O-CA 3.41Å; I211-T214 WeakPolarHBondContact O-CB 3.49Å; I211-T214 PolarHBondContact O-N 3.2Å; I211-L215 HydrophobicContact CG2-CG 4.45Å; I211-L215 PolarHBondContact O-N 3.41Å; I211-L215 VanDerWaalsContact O-N 3.08Å
212	I	98.2	Very high	98	Very high	19 Å²	19	55.2 Å²	55.2	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-37.9	-178.3	-61	-55.6	0	0	0	112	F200 R203 H204 E209 P210 T214 L215 F216	F200-I212 HydrophobicContact CB-CG2 4.18Å; F200-I212 HydrophobicContact CD1-CG2 4.1Å; F200-I212 WeakPolarHBondContact O-CG2 3.31Å; R203-I212 HydrophobicContact CB-CG2 4.04Å; R203-I212 HydrophobicContact CG-CG2 4.09Å; H204-I212 HydrophobicContact CB-CB 4.37Å; H204-I212 HydrophobicContact CB-CG2 3.91Å; E209-I212 HydrophobicContact CB-CG1 3.58Å; P210-I212 PolarHBondContact O-N 2.86Å; I212-T214 VanDerWaalsContact C-N 3.29Å; I212-T214 PolarHBondContact O-N 2.88Å; I212-L215 HydrophobicContact CD1-CD1 4.37Å; I212-L215 PolarHBondContact O-N 2.87Å; I212-F216 PolarHBondContact O-N 2.88Å
213	Y	97.8	Very high	98	Very high	33 Å²	33	47.3 Å²	47.3	13%	0.129	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-29.7	174.8	-162	-100.5	0	0	0	112.7	T53 N59 S63 H204 I211 F216 A217	T53-Y213 HydrophobicContact CG2-CD1 3.55Å; T53-Y213 HydrophobicContact CG2-CD2 3.94Å; T53-Y213 HydrophobicContact CG2-CE1 3.81Å; T53-Y213 HydrophobicContact CG2-CE2 4.18Å; T53-Y213 HydrophobicContact CG2-CG 3.62Å; N59-Y213 WeakPolarHBondContact OD1-CB 3.29Å; S63-Y213 WeakPolarHBondContact CB-OH 3.35Å; S63-Y213 PolarHBondContact OG-OH 3.33Å; S63-Y213 VanDerWaalsContact OG-OH 3.06Å; H204-Y213 AromaticContact CD2-CD2 3.5Å; H204-Y213 AromaticContact CG-CD2 3.96Å; H204-Y213 AromaticContact NE2-CD2 3.95Å; I211-Y213 VanDerWaalsContact C-N 3.3Å; I211-Y213 PolarHBondContact O-N 3.33Å; Y213-F216 AromaticContact CD2-CD1 3.87Å; Y213-F216 HydrophobicContact CD2-CD1 3.87Å; Y213-F216 HydrophobicContact CE1-CD1 4.42Å; Y213-F216 AromaticContact CE2-CD1 3.64Å; Y213-F216 HydrophobicContact CE2-CD1 3.64Å; Y213-F216 AromaticContact CE2-CE1 3.86Å; Y213-F216 HydrophobicContact CE2-CE1 3.86Å; Y213-F216 HydrophobicContact CG-CD1 4.35Å; Y213-F216 AromaticContact CZ-CD1 3.94Å; Y213-F216 AromaticContact CZ-CE1 3.96Å; Y213-F216 WeakPolarHBondContact O-CB 3.34Å; Y213-F216 PolarHBondContact O-N 2.89Å; Y213-A217 WeakPolarHBondContact O-CB 3.21Å; Y213-A217 PolarHBondContact O-N 3.27Å
214	T	98.3	Very high	98	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-42.5	172.5	-56.6	0	0	0	0	111.1	N59 Y60 L61 I211 I212 A217 L218	N59-T214 VanDerWaalsContact CA-OG1 3.31Å; N59-T214 WeakPolarHBondContact CA-OG1 3.43Å; N59-T214 PolarHBondContact OD1-N 3.48Å; N59-T214 PolarHBondContact OD1-OG1 3.04Å; Y60-T214 PolarHBondContact N-OG1 3.05Å; L61-T214 HydrophobicContact CB-CG2 3.8Å; L61-T214 HydrophobicContact CD1-CG2 3.9Å; L61-T214 HydrophobicContact CG-CG2 3.74Å; I211-T214 WeakPolarHBondContact O-CA 3.41Å; I211-T214 WeakPolarHBondContact O-CB 3.49Å; I211-T214 PolarHBondContact O-N 3.2Å; I212-T214 VanDerWaalsContact C-N 3.29Å; I212-T214 PolarHBondContact O-N 2.88Å; T214-A217 PolarHBondContact O-N 3.44Å; T214-L218 PolarHBondContact O-N 3.39Å
215	L	98.6	Very high	98	Very high	62 Å²	62	48 Å²	48	33%	0.325	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-36.8	175.9	-63.1	177	0	0	0	112	F200 I211 I212 C219	F200-L215 HydrophobicContact CD1-CB 4.26Å; F200-L215 HydrophobicContact CD1-CD1 4.38Å; F200-L215 HydrophobicContact CD2-CB 3.71Å; F200-L215 HydrophobicContact CE1-CB 4.26Å; F200-L215 HydrophobicContact CE1-CD1 3.8Å; F200-L215 HydrophobicContact CE2-CB 3.7Å; F200-L215 HydrophobicContact CE2-CD1 4.34Å; F200-L215 HydrophobicContact CG-CB 4.02Å; F200-L215 HydrophobicContact CZ-CB 4Å; F200-L215 HydrophobicContact CZ-CD1 3.78Å; F200-L215 HydrophobicContact CZ-CG 4.48Å; I211-L215 HydrophobicContact CG2-CG 4.45Å; I211-L215 PolarHBondContact O-N 3.41Å; I211-L215 VanDerWaalsContact O-N 3.08Å; I212-L215 HydrophobicContact CD1-CD1 4.37Å; I212-L215 PolarHBondContact O-N 2.87Å; L215-C219 PolarHBondContact O-N 3.05Å; L215-C219 VanDerWaalsContact O-N 3.08Å; L215-C219 PolarHBondContact O-SG 3.27Å
216	F	98.5	Very high	98.1	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.066	23%	0.227	C	C	.	.	H	α-helix	trans	-58.4	-52.5	170.4	162.4	-105.7	0	0	0	111.4	A197 F200 Y201 I212 Y213 L218 C219 E220	A197-F216 HydrophobicContact CB-CD2 4.11Å; A197-F216 HydrophobicContact CB-CE2 4.31Å; A197-F216 WeakPolarHBondContact O-CD2 3.38Å; F200-F216 HydrophobicContact CB-CB 3.84Å; Y201-F216 HydrophobicContact CD2-CD1 4.38Å; Y201-F216 HydrophobicContact CD2-CD2 4.25Å; Y201-F216 HydrophobicContact CD2-CE1 4.04Å; Y201-F216 AromaticContact CD2-CE2 3.88Å; Y201-F216 HydrophobicContact CD2-CE2 3.88Å; Y201-F216 HydrophobicContact CD2-CG 4.47Å; Y201-F216 AromaticContact CD2-CZ 3.76Å; Y201-F216 HydrophobicContact CD2-CZ 3.76Å; Y201-F216 HydrophobicContact CE2-CZ 4.47Å; Y201-F216 HydrophobicContact CG-CD2 4.43Å; Y201-F216 HydrophobicContact CG-CE2 4.18Å; Y201-F216 HydrophobicContact CG-CZ 4.49Å; I212-F216 PolarHBondContact O-N 2.88Å; Y213-F216 AromaticContact CD2-CD1 3.87Å; Y213-F216 HydrophobicContact CD2-CD1 3.87Å; Y213-F216 HydrophobicContact CE1-CD1 4.42Å; Y213-F216 AromaticContact CE2-CD1 3.64Å; Y213-F216 HydrophobicContact CE2-CD1 3.64Å; Y213-F216 AromaticContact CE2-CE1 3.86Å; Y213-F216 HydrophobicContact CE2-CE1 3.86Å; Y213-F216 HydrophobicContact CG-CD1 4.35Å; Y213-F216 AromaticContact CZ-CD1 3.94Å; Y213-F216 AromaticContact CZ-CE1 3.96Å; Y213-F216 WeakPolarHBondContact O-CB 3.34Å; Y213-F216 PolarHBondContact O-N 2.89Å; F216-L218 VanDerWaalsContact C-N 3.34Å; F216-L218 PolarHBondContact O-N 3.37Å; F216-C219 WeakPolarHBondContact O-CB 3.48Å; F216-C219 PolarHBondContact O-N 3.34Å; F216-E220 HydrophobicContact CD2-CG 4.35Å; F216-E220 HydrophobicContact CE1-CG 4.15Å; F216-E220 HydrophobicContact CE2-CG 3.81Å; F216-E220 HydrophobicContact CZ-CG 3.7Å; F216-E220 WeakPolarHBondContact CZ-OE1 3.38Å; F216-E220 PolarHBondContact O-N 3.02Å
217	A	98.3	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-44.6	179	0	0	0	0	0	112.1	L61 P62 Y213 T214 C219 E220 Y221	L61-A217 HydrophobicContact CB-CB 4Å; P62-A217 WeakPolarHBondContact O-CB 2.97Å; Y213-A217 WeakPolarHBondContact O-CB 3.21Å; Y213-A217 PolarHBondContact O-N 3.27Å; T214-A217 PolarHBondContact O-N 3.44Å; A217-C219 VanDerWaalsContact C-N 3.29Å; A217-C219 PolarHBondContact O-N 3.49Å; A217-E220 WeakPolarHBondContact O-CB 3.49Å; A217-E220 PolarHBondContact O-N 2.87Å; A217-E220 VanDerWaalsContact O-N 3.13Å; A217-Y221 HydrophobicContact CB-CE1 4.49Å; A217-Y221 WeakPolarHBondContact O-CD1 3.36Å; A217-Y221 WeakPolarHBondContact O-CE1 3.38Å; A217-Y221 PolarHBondContact O-N 2.97Å
218	L	98.6	Very high	98.2	Very high	74 Å²	74	34 Å²	34	39%	0.387	18%	0.182	S	C	.	.	H	α-helix	trans	-58	-41.9	174.7	178.9	61.9	0	0	0	112.1	L61 T214 F216 Y221 L222	L61-L218 HydrophobicContact CD1-CB 4.06Å; L61-L218 HydrophobicContact CD1-CD1 4.49Å; T214-L218 PolarHBondContact O-N 3.39Å; F216-L218 VanDerWaalsContact C-N 3.34Å; F216-L218 PolarHBondContact O-N 3.37Å; L218-Y221 WeakPolarHBondContact O-CB 3.36Å; L218-Y221 PolarHBondContact O-N 3.13Å; L218-L222 HydrophobicContact CG-CD1 4.35Å; L218-L222 WeakPolarHBondContact O-CG 3.21Å; L218-L222 PolarHBondContact O-N 3.08Å; L218-L222 VanDerWaalsContact O-N 3.12Å
219	C	98.6	Very high	98.3	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-39	176.9	-64.4	0	0	0	0	111.8	F193 A197 L215 F216 A217 Y221 L222 V223	F193-C219 HydrophobicContact CD1-CB 4.19Å; A197-C219 HydrophobicContact CB-CB 3.66Å; L215-C219 PolarHBondContact O-N 3.05Å; L215-C219 VanDerWaalsContact O-N 3.08Å; L215-C219 PolarHBondContact O-SG 3.27Å; F216-C219 WeakPolarHBondContact O-CB 3.48Å; F216-C219 PolarHBondContact O-N 3.34Å; A217-C219 VanDerWaalsContact C-N 3.29Å; A217-C219 PolarHBondContact O-N 3.49Å; C219-Y221 VanDerWaalsContact C-N 3.29Å; C219-Y221 PolarHBondContact O-N 2.67Å; C219-L222 PolarHBondContact O-N 2.81Å; C219-V223 WeakPolarHBondContact O-CG2 3.32Å; C219-V223 PolarHBondContact O-N 3.39Å
220	E	98.1	Very high	98.3	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-43.3	173	-67.6	-168.5	121.9	0	0	111.6	S63 I64 F216 A217 L222 V223 V224	S63-E220 WeakPolarHBondContact CA-OE2 3.37Å; S63-E220 WeakPolarHBondContact CB-OE2 3.11Å; I64-E220 HydrophobicContact CD1-CB 4.08Å; I64-E220 HydrophobicContact CG1-CB 4.17Å; I64-E220 PolarHBondContact N-OE2 3.03Å; I64-E220 VanDerWaalsContact N-OE2 3.15Å; F216-E220 HydrophobicContact CD2-CG 4.35Å; F216-E220 HydrophobicContact CE1-CG 4.15Å; F216-E220 HydrophobicContact CE2-CG 3.81Å; F216-E220 HydrophobicContact CZ-CG 3.7Å; F216-E220 WeakPolarHBondContact CZ-OE1 3.38Å; F216-E220 PolarHBondContact O-N 3.02Å; A217-E220 WeakPolarHBondContact O-CB 3.49Å; A217-E220 PolarHBondContact O-N 2.87Å; A217-E220 VanDerWaalsContact O-N 3.13Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 2.99Å; E220-V223 PolarHBondContact O-N 3.42Å; E220-V224 PolarHBondContact O-N 3.44Å
221	Y	98.6	Very high	98.4	Very high	23 Å²	23	28.1 Å²	28.1	9%	0.09	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-46.2	178.7	-59.7	-2.6	0	0	0	110.6	I39 L61 P62 I64 A217 L218 C219 V223 V224 L225	I39-Y221 HydrophobicContact CD1-CD1 4.13Å; I39-Y221 HydrophobicContact CD1-CD2 4.18Å; I39-Y221 HydrophobicContact CD1-CE1 3.83Å; I39-Y221 HydrophobicContact CD1-CE2 3.85Å; I39-Y221 HydrophobicContact CD1-CG 4.31Å; I39-Y221 HydrophobicContact CG1-CE1 4.37Å; I39-Y221 HydrophobicContact CG2-CE2 4.35Å; L61-Y221 HydrophobicContact CD1-CE2 4.43Å; L61-Y221 HydrophobicContact CD2-CE2 4.38Å; P62-Y221 WeakPolarHBondContact O-CE1 3.37Å; P62-Y221 VanDerWaalsContact O-CZ 3.26Å; P62-Y221 PolarHBondContact O-OH 3.47Å; I64-Y221 HydrophobicContact CD1-CD1 3.97Å; I64-Y221 HydrophobicContact CG1-CD1 3.5Å; I64-Y221 VanDerWaalsContact CG1-CD1 3.5Å; I64-Y221 HydrophobicContact CG1-CE1 3.7Å; A217-Y221 HydrophobicContact CB-CE1 4.49Å; A217-Y221 WeakPolarHBondContact O-CD1 3.36Å; A217-Y221 WeakPolarHBondContact O-CE1 3.38Å; A217-Y221 PolarHBondContact O-N 2.97Å; L218-Y221 WeakPolarHBondContact O-CB 3.36Å; L218-Y221 PolarHBondContact O-N 3.13Å; C219-Y221 VanDerWaalsContact C-N 3.29Å; C219-Y221 PolarHBondContact O-N 2.67Å; Y221-V223 PolarHBondContact O-N 3.02Å; Y221-V224 PolarHBondContact O-N 2.89Å; Y221-L225 WeakPolarHBondContact O-CB 3.33Å; Y221-L225 VanDerWaalsContact O-CG 3.22Å; Y221-L225 WeakPolarHBondContact O-CG 3.46Å; Y221-L225 PolarHBondContact O-N 3.02Å
222	L	98.7	Very high	98.4	Very high	47 Å²	47	26.5 Å²	26.5	25%	0.246	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-35.6	179.5	-65.9	174.6	0	0	0	112.5	F189 F193 L218 C219 E220 S226	F189-L222 HydrophobicContact CE1-CB 4.09Å; F189-L222 HydrophobicContact CZ-CB 4.38Å; F189-L222 HydrophobicContact CZ-CD2 4.39Å; F193-L222 HydrophobicContact CD1-CB 4.09Å; F193-L222 HydrophobicContact CD1-CD1 3.69Å; F193-L222 HydrophobicContact CD2-CB 4.37Å; F193-L222 HydrophobicContact CE1-CB 4.44Å; F193-L222 HydrophobicContact CE1-CD1 3.26Å; F193-L222 HydrophobicContact CE1-CG 4.47Å; F193-L222 HydrophobicContact CE2-CD1 4.27Å; F193-L222 HydrophobicContact CG-CB 4.05Å; F193-L222 HydrophobicContact CG-CD1 4.34Å; F193-L222 HydrophobicContact CZ-CD1 3.59Å; L218-L222 HydrophobicContact CG-CD1 4.35Å; L218-L222 WeakPolarHBondContact O-CG 3.21Å; L218-L222 PolarHBondContact O-N 3.08Å; L218-L222 VanDerWaalsContact O-N 3.12Å; C219-L222 PolarHBondContact O-N 2.81Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 2.99Å; L222-S226 VanDerWaalsContact O-CB 3.3Å; L222-S226 WeakPolarHBondContact O-CB 3.31Å; L222-S226 PolarHBondContact O-N 3.09Å; L222-S226 PolarHBondContact O-OG 3.49Å
223	V	98.7	Very high	98.3	Very high	19 Å²	19	25.7 Å²	25.7	12%	0.115	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-49.5	171.9	168.5	0	0	0	0	110.4	N190 F193 C194 C219 E220 Y221 S226 N227	N190-V223 PolarHBondContact ND2-O 3.32Å; F193-V223 HydrophobicContact CB-CG2 3.7Å; C194-V223 HydrophobicContact CB-CG2 4.41Å; C219-V223 WeakPolarHBondContact O-CG2 3.32Å; C219-V223 PolarHBondContact O-N 3.39Å; E220-V223 PolarHBondContact O-N 3.42Å; Y221-V223 PolarHBondContact O-N 3.02Å; V223-S226 PolarHBondContact O-N 3.06Å; V223-S226 PolarHBondContact O-OG 3.05Å; V223-N227 PolarHBondContact O-N 2.84Å
224	V	98.3	Very high	98.2	Very high	22 Å²	22	24.1 Å²	24.1	13%	0.133	13%	0.131	C	C	.	.	H	α-helix	trans	-68.6	-42.4	-178	172	0	0	0	0	111.7	L35 I64 F149 E220 Y221 S226 N227 M228	L35-V224 HydrophobicContact CD2-CG1 4.07Å; I64-V224 HydrophobicContact CD1-CB 3.89Å; I64-V224 HydrophobicContact CD1-CG1 4.49Å; I64-V224 HydrophobicContact CD1-CG2 3.44Å; I64-V224 VanDerWaalsContact CD1-CG2 3.44Å; F149-V224 HydrophobicContact CE1-CG2 4.49Å; E220-V224 PolarHBondContact O-N 3.44Å; Y221-V224 PolarHBondContact O-N 2.89Å; V224-S226 VanDerWaalsContact C-N 3.34Å; V224-S226 PolarHBondContact O-N 3.28Å; V224-N227 WeakPolarHBondContact O-CB 3.15Å; V224-N227 PolarHBondContact O-N 2.97Å; V224-N227 VanDerWaalsContact O-N 3.15Å; V224-M228 HydrophobicContact CG1-CE 3.7Å; V224-M228 WeakPolarHBondContact O-CG 3.32Å; V224-M228 PolarHBondContact O-N 3.38Å
225	L	98.6	Very high	98.1	Very high	72 Å²	72	27.6 Å²	27.6	38%	0.377	15%	0.146	S	C	.	.	H	α-helix	trans	-62.7	-39.9	177	-70.7	173.4	0	0	0	112.2	L32 L35 Y221 N227 M228 A229	L32-L225 HydrophobicContact CD1-CD2 3.53Å; L35-L225 HydrophobicContact CD2-CD2 4.48Å; Y221-L225 WeakPolarHBondContact O-CB 3.33Å; Y221-L225 VanDerWaalsContact O-CG 3.22Å; Y221-L225 WeakPolarHBondContact O-CG 3.46Å; Y221-L225 PolarHBondContact O-N 3.02Å; L225-N227 VanDerWaalsContact C-N 3.35Å; L225-M228 HydrophobicContact CD2-SD 4.42Å; L225-M228 PolarHBondContact O-N 3.41Å; L225-A229 WeakPolarHBondContact O-CB 3.39Å; L225-A229 PolarHBondContact O-N 3.08Å
226	S	98.6	Very high	97.9	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.035	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-31.2	174.9	57.4	0	0	0	0	112.8	N190 L222 V223 V224 F230	N190-S226 PolarHBondContact ND2-OG 2.95Å; L222-S226 VanDerWaalsContact O-CB 3.3Å; L222-S226 WeakPolarHBondContact O-CB 3.31Å; L222-S226 PolarHBondContact O-N 3.09Å; L222-S226 PolarHBondContact O-OG 3.49Å; V223-S226 PolarHBondContact O-N 3.06Å; V223-S226 PolarHBondContact O-OG 3.05Å; V224-S226 VanDerWaalsContact C-N 3.34Å; V224-S226 PolarHBondContact O-N 3.28Å; S226-F230 WeakPolarHBondContact O-CB 3.33Å; S226-F230 PolarHBondContact O-N 2.96Å
227	N	98.6	Very high	97.6	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.064	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-47.7	169.7	172.6	-73.5	0	0	0	111.6	E123 S153 M157 V223 V224 L225 A229 F230 H231	E123-N227 PolarHBondContact OE1-ND2 3.11Å; S153-N227 PolarHBondContact OG-ND2 3.1Å; M157-N227 VanDerWaalsContact CE-CA 3.47Å; M157-N227 HydrophobicContact CE-CB 3.66Å; M157-N227 WeakPolarHBondContact CE-ND2 3.43Å; V223-N227 PolarHBondContact O-N 2.84Å; V224-N227 WeakPolarHBondContact O-CB 3.15Å; V224-N227 PolarHBondContact O-N 2.97Å; V224-N227 VanDerWaalsContact O-N 3.15Å; L225-N227 VanDerWaalsContact C-N 3.35Å; N227-A229 VanDerWaalsContact C-N 3.34Å; N227-A229 PolarHBondContact O-N 3.45Å; N227-F230 WeakPolarHBondContact O-CB 3.16Å; N227-F230 PolarHBondContact O-N 3.27Å; N227-F230 VanDerWaalsContact O-N 3.13Å; N227-H231 PolarHBondContact O-CD2 3.47Å; N227-H231 PolarHBondContact O-N 3.48Å; N227-H231 PolarHBondContact OD1-CD2 3.35Å; N227-H231 VanDerWaalsContact OD1-CD2 3.26Å
228	M	98.6	Very high	97.4	Very high	18 Å²	18	29 Å²	29	9%	0.089	15%	0.148	C	C	.	.	H	α-helix	trans	-57	-47.7	174.5	-69	-179.3	-177	0	0	111.5	V28 A31 L32 L35 V224 L225 F230 H231 M232	V28-M228 HydrophobicContact CG1-CB 4.05Å; A31-M228 HydrophobicContact CB-CE 3.65Å; A31-M228 HydrophobicContact CB-SD 4.48Å; L32-M228 HydrophobicContact CB-SD 4.12Å; L32-M228 HydrophobicContact CD1-SD 4.23Å; L35-M228 HydrophobicContact CD2-CE 4.18Å; V224-M228 HydrophobicContact CG1-CE 3.7Å; V224-M228 WeakPolarHBondContact O-CG 3.32Å; V224-M228 PolarHBondContact O-N 3.38Å; L225-M228 HydrophobicContact CD2-SD 4.42Å; L225-M228 PolarHBondContact O-N 3.41Å; M228-F230 VanDerWaalsContact C-N 3.31Å; M228-F230 PolarHBondContact O-N 2.99Å; M228-H231 PolarHBondContact O-N 3.28Å; M228-M232 PolarHBondContact O-N 3.27Å
229	A	98.4	Very high	96.9	Very high	39 Å²	39	26.8 Å²	26.8	32%	0.322	14%	0.143	S	C	.	.	H	α-helix	trans	-62.7	-36.1	176.9	0	0	0	0	0	112.5	L186 L225 N227 H231 M232 T233	L186-A229 HydrophobicContact CD1-CB 4.02Å; L186-A229 HydrophobicContact CD2-CB 3.79Å; L225-A229 WeakPolarHBondContact O-CB 3.39Å; L225-A229 PolarHBondContact O-N 3.08Å; N227-A229 VanDerWaalsContact C-N 3.34Å; N227-A229 PolarHBondContact O-N 3.45Å; A229-H231 VanDerWaalsContact C-N 3.34Å; A229-M232 WeakPolarHBondContact O-CB 3.4Å; A229-M232 PolarHBondContact O-N 3.05Å; A229-T233 PolarHBondContact O-N 2.84Å
230	F	98.5	Very high	96.4	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-44.3	176.3	-174.2	-83.2	0	0	0	110.6	M157 T160 K183 L186 F187 S226 N227 M228 M232 T233	M157-F230 HydrophobicContact CB-CD2 4.41Å; M157-F230 HydrophobicContact CB-CE1 4.29Å; M157-F230 HydrophobicContact CB-CE2 3.96Å; M157-F230 HydrophobicContact CB-CZ 3.91Å; M157-F230 HydrophobicContact CE-CB 3.86Å; M157-F230 HydrophobicContact CE-CD1 4.43Å; M157-F230 HydrophobicContact CE-CG 4.05Å; M157-F230 HydrophobicContact CG-CD1 3.81Å; M157-F230 HydrophobicContact CG-CD2 3.89Å; M157-F230 HydrophobicContact CG-CE1 3.83Å; M157-F230 HydrophobicContact CG-CE2 3.89Å; M157-F230 HydrophobicContact CG-CG 3.86Å; M157-F230 HydrophobicContact CG-CZ 3.87Å; M157-F230 HydrophobicContact SD-CD2 4.18Å; M157-F230 HydrophobicContact SD-CG 4.23Å; T160-F230 HydrophobicContact CG2-CE1 3.89Å; T160-F230 HydrophobicContact CG2-CZ 3.65Å; K183-F230 HydrophobicContact CB-CD2 4.37Å; K183-F230 HydrophobicContact CB-CE2 3.67Å; K183-F230 HydrophobicContact CB-CZ 4.13Å; K183-F230 HydrophobicContact CD-CZ 4.48Å; K183-F230 HydrophobicContact CG-CD2 4.44Å; K183-F230 HydrophobicContact CG-CE2 3.88Å; K183-F230 HydrophobicContact CG-CZ 3.97Å; K183-F230 WeakPolarHBondContact O-CE2 3.41Å; L186-F230 HydrophobicContact CB-CB 4.31Å; L186-F230 HydrophobicContact CB-CD2 4.05Å; L186-F230 HydrophobicContact CD1-CB 4.41Å; F187-F230 HydrophobicContact CB-CE2 4.39Å; S226-F230 WeakPolarHBondContact O-CB 3.33Å; S226-F230 PolarHBondContact O-N 2.96Å; N227-F230 WeakPolarHBondContact O-CB 3.16Å; N227-F230 PolarHBondContact O-N 3.27Å; N227-F230 VanDerWaalsContact O-N 3.13Å; M228-F230 VanDerWaalsContact C-N 3.31Å; M228-F230 PolarHBondContact O-N 2.99Å; F230-M232 VanDerWaalsContact C-N 3.31Å; F230-M232 PolarHBondContact O-N 3.31Å; F230-T233 WeakPolarHBondContact O-CB 3.14Å; F230-T233 VanDerWaalsContact O-CG2 3.3Å; F230-T233 WeakPolarHBondContact O-CG2 3.38Å; F230-T233 PolarHBondContact O-N 3.46Å; F230-T233 PolarHBondContact O-OG1 3.33Å
231	H	97.9	Very high	96.1	Very high	17 Å²	17	38.8 Å²	38.8	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-31	176	-67.7	-62.7	0	0	0	112.5	R88 E123 H156 N227 M228 A229 T233 A234	R88-H231 PolarHBondContact NH1-CD2 3.47Å; R88-H231 VanDerWaalsContact NH1-CD2 3.29Å; R88-H231 PolarHBondContact NH1-CE1 2.83Å; R88-H231 PolarHBondContact NH1-ND1 2.69Å; R88-H231 PolarHBondContact NH1-NE2 2.84Å; R88-H231 PolarHBondContact NH2-CE1 3.42Å; R88-H231 PolarHBondContact NH2-NE2 3.04Å; E123-H231 IonicContact OE1-CD2 3.2Å; E123-H231 IonicContact OE1-CE1 2.69Å; E123-H231 IonicContact OE1-NE2 3.08Å; E123-H231 PolarHBondContact OE1-NE2 2.94Å; E123-H231 IonicContact OE2-CE1 2.69Å; E123-H231 IonicContact OE2-NE2 3.44Å; H156-H231 AromaticContact CE1-CE1 3.6Å; H156-H231 AromaticContact ND1-CE1 3.69Å; N227-H231 PolarHBondContact O-CD2 3.47Å; N227-H231 PolarHBondContact O-N 3.48Å; N227-H231 PolarHBondContact OD1-CD2 3.35Å; N227-H231 VanDerWaalsContact OD1-CD2 3.26Å; M228-H231 PolarHBondContact O-N 3.28Å; A229-H231 VanDerWaalsContact C-N 3.34Å; H231-T233 PolarHBondContact O-N 3.23Å; H231-A234 WeakPolarHBondContact O-CB 3.36Å; H231-A234 PolarHBondContact O-N 3Å; H231-A234 VanDerWaalsContact O-N 3.1Å
232	M	97.4	Very high	95.7	Very high	44 Å²	44	41.7 Å²	41.7	22%	0.217	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-18.3	173.4	-162.8	65.5	-114	0	0	113.2	A24 V25 V28 M228 A229 F230 A234 F235	A24-M232 HydrophobicContact CB-CE 4.05Å; V25-M232 HydrophobicContact CB-CE 4.25Å; V25-M232 HydrophobicContact CG2-CE 3.36Å; V25-M232 HydrophobicContact CG2-SD 4.06Å; V28-M232 HydrophobicContact CB-SD 4.16Å; V28-M232 HydrophobicContact CG2-CB 4.45Å; V28-M232 HydrophobicContact CG2-SD 3.99Å; M228-M232 PolarHBondContact O-N 3.27Å; A229-M232 WeakPolarHBondContact O-CB 3.4Å; A229-M232 PolarHBondContact O-N 3.05Å; F230-M232 VanDerWaalsContact C-N 3.31Å; F230-M232 PolarHBondContact O-N 3.31Å; M232-A234 PolarHBondContact O-N 3.03Å; M232-F235 HydrophobicContact CE-CB 3.66Å; M232-F235 HydrophobicContact CE-CD2 3.9Å; M232-F235 HydrophobicContact CE-CG 4.21Å; M232-F235 WeakPolarHBondContact O-CB 3.35Å; M232-F235 PolarHBondContact O-N 3.1Å
233	T	97.1	Very high	95.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.5	172.3	67.5	0	0	0	0	113.1	W182 K183 L186 A229 F230 H231 F235 W236 D237	W182-T233 HydrophobicContact CB-CG2 4.14Å; K183-T233 HydrophobicContact CG-CG2 4.07Å; K183-T233 PolarHBondContact NZ-OG1 2.95Å; L186-T233 HydrophobicContact CD1-CG2 4.02Å; A229-T233 PolarHBondContact O-N 2.84Å; F230-T233 WeakPolarHBondContact O-CB 3.14Å; F230-T233 VanDerWaalsContact O-CG2 3.3Å; F230-T233 WeakPolarHBondContact O-CG2 3.38Å; F230-T233 PolarHBondContact O-N 3.46Å; F230-T233 PolarHBondContact O-OG1 3.33Å; H231-T233 PolarHBondContact O-N 3.23Å; T233-F235 PolarHBondContact O-N 3.09Å; T233-F235 VanDerWaalsContact O-N 3.13Å; T233-W236 HydrophobicContact CG2-CE3 4.36Å; T233-W236 HydrophobicContact CG2-CZ3 4.06Å; T233-W236 PolarHBondContact O-N 2.89Å; T233-W236 VanDerWaalsContact O-N 3.09Å; T233-D237 PolarHBondContact O-N 3.16Å
234	A	95.4	Very high	94.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-56.2	-23	169.6	0	0	0	0	0	113.5	F20 Y95 H231 M232 W236 D237 F238	F20-A234 HydrophobicContact CE1-CB 4.1Å; Y95-A234 HydrophobicContact CE2-CB 4.11Å; Y95-A234 VanDerWaalsContact OH-CA 3.25Å; Y95-A234 WeakPolarHBondContact OH-CA 3.18Å; Y95-A234 VanDerWaalsContact OH-CB 3.32Å; Y95-A234 WeakPolarHBondContact OH-CB 3.34Å; Y95-A234 PolarHBondContact OH-N 3.24Å; H231-A234 WeakPolarHBondContact O-CB 3.36Å; H231-A234 PolarHBondContact O-N 3Å; H231-A234 VanDerWaalsContact O-N 3.1Å; M232-A234 PolarHBondContact O-N 3.03Å; A234-W236 VanDerWaalsContact C-N 3.28Å; A234-W236 PolarHBondContact O-N 3.36Å; A234-D237 PolarHBondContact O-N 2.65Å; A234-F238 HydrophobicContact CB-CD2 4.17Å; A234-F238 PolarHBondContact O-N 2.92Å
235	F	95.3	Very high	94.2	Very high	86 Å²	86	47.2 Å²	47.2	38%	0.377	25%	0.245	S	C	.	.	H	α-helix	trans	-54.3	-44.5	172.7	-173	-88.8	0	0	0	112.2	T21 V25 M232 T233 G239	T21-F235 HydrophobicContact CG2-CD2 3.72Å; T21-F235 HydrophobicContact CG2-CE2 3.74Å; T21-F235 HydrophobicContact CG2-CG 4.18Å; T21-F235 HydrophobicContact CG2-CZ 4.19Å; V25-F235 HydrophobicContact CG2-CD2 4.19Å; V25-F235 HydrophobicContact CG2-CE2 4.46Å; M232-F235 HydrophobicContact CE-CB 3.66Å; M232-F235 HydrophobicContact CE-CD2 3.9Å; M232-F235 HydrophobicContact CE-CG 4.21Å; M232-F235 WeakPolarHBondContact O-CB 3.35Å; M232-F235 PolarHBondContact O-N 3.1Å; T233-F235 PolarHBondContact O-N 3.09Å; T233-F235 VanDerWaalsContact O-N 3.13Å; F235-G239 WeakPolarHBondContact O-CA 3.41Å; F235-G239 PolarHBondContact O-N 2.96Å
236	W	94.4	Very high	93.7	Very high	75 Å²	75	48.2 Å²	48.2	28%	0.284	25%	0.254	S	S	.	.	H	α-helix	trans	-78.9	-35.3	177.6	-65.4	-57.4	0	0	0	112	E175 T178 W182 T233 A234 F238	E175-W236 HydrophobicContact CB-CB 4.38Å; T178-W236 HydrophobicContact CG2-CD2 4.45Å; T178-W236 HydrophobicContact CG2-CZ2 4.24Å; W182-W236 HydrophobicContact CB-CH2 4.44Å; W182-W236 HydrophobicContact CB-CZ3 3.88Å; W182-W236 AromaticContact CD1-CH2 3.4Å; W182-W236 VanDerWaalsContact CD1-CH2 3.4Å; W182-W236 AromaticContact CD1-CZ3 3.59Å; W182-W236 HydrophobicContact CD2-CH2 4.45Å; W182-W236 AromaticContact CG-CH2 3.88Å; W182-W236 HydrophobicContact CG-CH2 3.88Å; W182-W236 AromaticContact CG-CZ3 3.82Å; W182-W236 HydrophobicContact CG-CZ3 3.82Å; W182-W236 AromaticContact NE1-CH2 3.72Å; T233-W236 HydrophobicContact CG2-CE3 4.36Å; T233-W236 HydrophobicContact CG2-CZ3 4.06Å; T233-W236 PolarHBondContact O-N 2.89Å; T233-W236 VanDerWaalsContact O-N 3.09Å; A234-W236 VanDerWaalsContact C-N 3.28Å; A234-W236 PolarHBondContact O-N 3.36Å; W236-F238 VanDerWaalsContact C-N 3.3Å; W236-F238 PolarHBondContact O-N 3.47Å
237	D	93.8	Very high	92.8	Very high	17 Å²	17	51.6 Å²	51.6	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-31	-173.9	-59.9	-7	0	0	0	112.7	Y95 W164 S179 K183 T233 A234	Y95-D237 HydrophobicContact CE1-CB 4.37Å; Y95-D237 VanDerWaalsContact CE1-OD2 3.29Å; Y95-D237 WeakPolarHBondContact CE1-OD2 3.05Å; Y95-D237 PolarHBondContact OH-OD2 2.86Å; W164-D237 HydrophobicContact CH2-CB 3.75Å; W164-D237 WeakPolarHBondContact CH2-OD1 3.4Å; W164-D237 HydrophobicContact CZ2-CB 3.81Å; W164-D237 WeakPolarHBondContact CZ2-OD1 3.35Å; W164-D237 WeakPolarHBondContact CZ2-OD2 3.33Å; S179-D237 WeakPolarHBondContact CB-OD1 3.41Å; S179-D237 PolarHBondContact OG-OD1 2.84Å; K183-D237 VanDerWaalsContact NZ-CG 3.33Å; K183-D237 IonicContact NZ-OD1 3.93Å; K183-D237 PolarHBondContact NZ-OD1 3.27Å; K183-D237 IonicContact NZ-OD2 3.24Å; K183-D237 PolarHBondContact NZ-OD2 3.49Å; T233-D237 PolarHBondContact O-N 3.16Å; A234-D237 PolarHBondContact O-N 2.65Å
238	F	93.3	Very high	91.7	Very high	14 Å²	14	56.7 Å²	56.7	6%	0.061	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	23	-173.9	-61.5	-68	0	0	0	112.4	F20 Y95 F98 A234 W236 N240 K241	F20-F238 HydrophobicContact CB-CB 4.05Å; F20-F238 HydrophobicContact CD1-CB 3.29Å; F20-F238 AromaticContact CD1-CD2 3.89Å; F20-F238 HydrophobicContact CD1-CD2 3.89Å; F20-F238 AromaticContact CD1-CG 3.87Å; F20-F238 HydrophobicContact CD1-CG 3.87Å; F20-F238 HydrophobicContact CD2-CB 4.31Å; F20-F238 HydrophobicContact CE1-CB 3.75Å; F20-F238 AromaticContact CE1-CD2 3.36Å; F20-F238 HydrophobicContact CE1-CD2 3.36Å; F20-F238 HydrophobicContact CE1-CE2 4.17Å; F20-F238 AromaticContact CE1-CG 3.79Å; F20-F238 HydrophobicContact CE1-CG 3.79Å; F20-F238 HydrophobicContact CE2-CD2 4.43Å; F20-F238 HydrophobicContact CE2-CG 4.45Å; F20-F238 HydrophobicContact CG-CB 3.62Å; F20-F238 HydrophobicContact CG-CG 4.25Å; F20-F238 HydrophobicContact CZ-CB 4.4Å; F20-F238 AromaticContact CZ-CD2 3.66Å; F20-F238 HydrophobicContact CZ-CD2 3.66Å; F20-F238 HydrophobicContact CZ-CE2 4.07Å; F20-F238 HydrophobicContact CZ-CG 4.08Å; Y95-F238 AromaticContact CD1-CE2 3.85Å; Y95-F238 HydrophobicContact CD1-CE2 3.85Å; Y95-F238 AromaticContact CD1-CZ 3.87Å; Y95-F238 HydrophobicContact CD1-CZ 3.87Å; Y95-F238 AromaticContact CD2-CE2 3.95Å; Y95-F238 HydrophobicContact CD2-CE2 3.95Å; Y95-F238 HydrophobicContact CD2-CZ 4.42Å; Y95-F238 AromaticContact CE1-CE2 3.64Å; Y95-F238 HydrophobicContact CE1-CE2 3.64Å; Y95-F238 HydrophobicContact CE1-CZ 4.07Å; Y95-F238 AromaticContact CE2-CE2 3.75Å; Y95-F238 HydrophobicContact CE2-CE2 3.75Å; Y95-F238 HydrophobicContact CG-CE2 4.01Å; Y95-F238 HydrophobicContact CG-CZ 4.07Å; Y95-F238 AromaticContact CZ-CE2 3.61Å; F98-F238 HydrophobicContact CB-CE1 4.05Å; F98-F238 HydrophobicContact CB-CZ 4.18Å; F98-F238 HydrophobicContact CD2-CE1 4.37Å; F98-F238 HydrophobicContact CG-CE1 4.25Å; F98-F238 HydrophobicContact CG-CZ 4.45Å; A234-F238 HydrophobicContact CB-CD2 4.17Å; A234-F238 PolarHBondContact O-N 2.92Å; W236-F238 VanDerWaalsContact C-N 3.3Å; W236-F238 PolarHBondContact O-N 3.47Å; F238-N240 PolarHBondContact O-N 3.49Å; F238-N240 VanDerWaalsContact O-N 3.07Å; F238-K241 HydrophobicContact CB-CB 4.12Å; F238-K241 HydrophobicContact CB-CG 4.17Å; F238-K241 HydrophobicContact CD1-CG 3.97Å; F238-K241 WeakPolarHBondContact O-CB 3.05Å; F238-K241 PolarHBondContact O-N 3.27Å
239	G	87.9	Confident	90.2	Very high	28 Å²	28	60.3 Å²	60.3	29%	0.289	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-33.7	-175.9	0	0	0	0	0	114.5	F235	F235-G239 WeakPolarHBondContact O-CA 3.41Å; F235-G239 PolarHBondContact O-N 2.96Å
240	N	88.6	Confident	88.7	Confident	146 Å²	146	66 Å²	66	78%	0.781	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	18.6	178.8	-61.9	-48.2	0	0	0	113.5	F238	F238-N240 PolarHBondContact O-N 3.49Å; F238-N240 VanDerWaalsContact O-N 3.07Å
241	K	90.5	Very high	86.9	Confident	126 Å²	126	72.6 Å²	72.6	55%	0.548	40%	0.397	S	S	.	.			trans	-111.3	159.2	179.6	-57.8	-57.5	-176	-176.5	0	110.8	F20 F238	F20-K241 HydrophobicContact CB-CB 4.15Å; F20-K241 VanDerWaalsContact CB-O 3.26Å; F20-K241 WeakPolarHBondContact CB-O 3.43Å; F20-K241 PolarHBondContact N-O 3.04Å; F238-K241 HydrophobicContact CB-CB 4.12Å; F238-K241 HydrophobicContact CB-CG 4.17Å; F238-K241 HydrophobicContact CD1-CG 3.97Å; F238-K241 WeakPolarHBondContact O-CB 3.05Å; F238-K241 PolarHBondContact O-N 3.27Å
242	E	91.5	Very high	84.8	Confident	84 Å²	84	78.4 Å²	78.4	39%	0.393	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148	-178.3	-63	169.6	151.8	0	0	109.5	R17 L18	R17-E242 IonicContact CZ-OE1 2.8Å; R17-E242 IonicContact CZ-OE2 3.51Å; R17-E242 IonicContact NE-OE1 3.37Å; R17-E242 PolarHBondContact NE-OE1 2.05Å; R17-E242 IonicContact NE-OE2 3.43Å; R17-E242 PolarHBondContact NE-OE2 3.11Å; R17-E242 IonicContact NH2-OE1 3.86Å; R17-E242 PolarHBondContact NH2-OE1 3.16Å; R17-E242 IonicContact NH2-OE2 3.66Å; R17-E242 PolarHBondContact NH2-OE2 2.77Å; L18-E242 CarbonylContact O-C 3.54Å; L18-E242 WeakPolarHBondContact O-CA 3.27Å
243	V	88.2	Confident	82.7	Confident	28 Å²	28	87.4 Å²	87.4	17%	0.17	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.3	169.1	-178	0	0	0	0	107.3	L18 F20 F23 L90	L18-V243 PolarHBondContact N-O 2.74Å; L18-V243 PolarHBondContact O-N 2.69Å; F20-V243 HydrophobicContact CD2-CG2 3.73Å; F20-V243 HydrophobicContact CE2-CG2 4.35Å; F20-V243 HydrophobicContact CG-CG2 4.49Å; F23-V243 HydrophobicContact CB-CG2 4.29Å; F23-V243 HydrophobicContact CD1-CG2 4.08Å; F23-V243 HydrophobicContact CG-CG2 4.07Å; L90-V243 HydrophobicContact CD1-CG1 4.43Å
244	M	90.3	Very high	80.4	Confident	103 Å²	103	99.7 Å²	99.7	51%	0.507	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.1	-178.5	-66.3	-173.9	-65.5	0	0	111.4	P14 I16 R17 T246	P14-M244 HydrophobicContact CB-CB 4.29Å; P14-M244 HydrophobicContact CB-CG 4.37Å; P14-M244 HydrophobicContact CB-SD 4.31Å; P14-M244 HydrophobicContact CG-SD 4.34Å; I16-M244 CarbonylContact O-C 3.58Å; I16-M244 VanDerWaalsContact O-CA 3.27Å; I16-M244 WeakPolarHBondContact O-CA 3.33Å; R17-M244 HydrophobicContact CB-CG 4.32Å; R17-M244 HydrophobicContact CG-CG 3.95Å; R17-M244 HydrophobicContact CG-SD 4.28Å; M244-T246 HydrophobicContact CB-CG2 4.43Å
245	V	85.5	Confident	79.7	Confident	73 Å²	73	104.7 Å²	104.7	44%	0.442	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120	167.7	-178.6	0	0	0	0	107.6	P14 L15 I16	P14-V245 CarbonylContact C-O 3.52Å; L15-V245 HydrophobicContact CB-CG1 4.49Å; L15-V245 HydrophobicContact CD1-CG1 4.38Å; L15-V245 PolarHBondContact N-O 3.17Å; I16-V245 HydrophobicContact CB-CB 4.17Å; I16-V245 HydrophobicContact CB-CG2 4.21Å; I16-V245 PolarHBondContact N-O 3.22Å; I16-V245 PolarHBondContact O-N 3Å
246	T	87.2	Confident	78.8	Confident	92 Å²	92	105.6 Å²	105.6	56%	0.564	53%	0.534	S	S	*	.			trans	-119.8	148	-176.4	60.9	0	0	0	0	110.4	P14 M244	P14-T246 HydrophobicContact CB-CG2 4.4Å; M244-T246 HydrophobicContact CB-CG2 4.43Å
247	T	81.3	Confident	78	Confident	76 Å²	76	107.3 Å²	107.3	47%	0.466	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-67.7	138.1	166.7	45.9	0	0	0	0	109.7	L15	L15-T247 HydrophobicContact CD1-CG2 3.87Å; L15-T247 HydrophobicContact CD2-CG2 4.43Å; L15-T247 HydrophobicContact CG-CG2 4.2Å
248	P	74.6	Confident	77.1	Confident	119 Å²	119	112.6 Å²	112.6	77%	0.773	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-58.2	144	170.4	-4.5	12.2	0	0	0	109.6	E250	P248-E250 PolarHBondContact O-N 2.78Å
249	A	68.2	Low	76	Confident	95 Å²	95	118.8 Å²	118.8	79%	0.785	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-60.7	124	171.6	0	0	0	0	0	108.6	D251	A249-D251 PolarHBondContact O-N 3.03Å
250	E	66.9	Low	75.3	Confident	157 Å²	157	124.9 Å²	124.9	73%	0.734	63%	0.628	S	S	*	*			trans	-61.3	107.8	169.2	-77.4	-178.2	150.6	0	0	108	R11 P248 K252	R11-E250 IonicContact NH2-OE2 3.92Å; R11-E250 PolarHBondContact NH2-OE2 2.9Å; P248-E250 PolarHBondContact O-N 2.78Å; E250-K252 PolarHBondContact O-N 3.17Å
251	D	59.2	Low	74.3	Confident	142 Å²	142	123.4 Å²	123.4	76%	0.759	62%	0.618	S	S	*	*			trans	-56.6	112.3	164.7	-89.6	-24.7	0	0	0	106.8	A249 R253	A249-D251 PolarHBondContact O-N 3.03Å; D251-R253 PolarHBondContact O-N 3.49Å
252	K	53.9	Low	73.1	Confident	140 Å²	140	123.2 Å²	123.2	61%	0.609	62%	0.623	S	S	*	*			trans	-63.5	86.8	169.3	-68.9	-169.7	-178.8	-176.2	0	107.9	E250 Y254	E250-K252 PolarHBondContact O-N 3.17Å; K252-Y254 VanDerWaalsContact C-N 3.33Å; K252-Y254 HydrophobicContact CB-CD2 4.01Å; K252-Y254 HydrophobicContact CB-CE2 3.79Å; K252-Y254 HydrophobicContact CD-CE2 3.56Å; K252-Y254 HydrophobicContact CG-CE2 4.27Å; K252-Y254 PolarHBondContact O-N 3.19Å; K252-Y254 VanDerWaalsContact O-N 3.09Å
253	R	53.5	Low	71.5	Confident	233 Å²	233	126.4 Å²	126.4	88%	0.879	64%	0.642	S	S	*	*			trans	-71.7	96.3	161.6	-62.6	-170.7	-156.8	-175.9	6.8	106.3	D251	D251-R253 PolarHBondContact O-N 3.49Å
254	Y	49.6	Very low	70	Confident	259 Å²	259	135.4 Å²	135.4	100%	1.016	69%	0.685	S	S	*	*			trans	-85.4	0	158.3	-70.8	-74.4	0	0	0	108.7	K252	K252-Y254 VanDerWaalsContact C-N 3.33Å; K252-Y254 HydrophobicContact CB-CD2 4.01Å; K252-Y254 HydrophobicContact CB-CE2 3.79Å; K252-Y254 HydrophobicContact CD-CE2 3.56Å; K252-Y254 HydrophobicContact CG-CE2 4.27Å; K252-Y254 PolarHBondContact O-N 3.19Å; K252-Y254 VanDerWaalsContact O-N 3.09Å

Retrieved 254 of 254 residues in 679.6 ms (Link to these results)

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