A0A2K6DB75_MACNE Loading...

Tryptophan--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A2K6DB75, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene WARS1, Length 475 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	37.3	Very low	249 Å²	249	144.3 Å²	144.3	100%	1.227	84%	0.842	S	S	*	*				0	115	0	-74.6	174.7	174.5	0	0	106.6
2	A	32.5	Very low	40.4	Very low	100 Å²	100	136.1 Å²	136.1	83%	0.826	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-81.9	138.7	-166.7	0	0	0	0	0	111.9
3	N	33.7	Very low	42.9	Very low	170 Å²	170	129.9 Å²	129.9	91%	0.909	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-67.7	126.5	168.2	-87.6	-18.5	0	0	0	110
4	M	30.5	Very low	45.3	Very low	181 Å²	181	124.1 Å²	124.1	89%	0.892	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-94.7	140.3	164.2	-73.6	-132.6	-102.8	0	0	109.9
5	P	37.4	Very low	47.5	Very low	118 Å²	118	123 Å²	123	77%	0.766	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-81.7	142.9	178.1	32.6	-31.3	0	0	0	111.5	S7	P5-S7 PolarHBondContact O-N 2.96Å
6	N	31.5	Very low	49.6	Very low	169 Å²	169	116.5 Å²	116.5	90%	0.904	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-55.4	121.8	166.5	-96.6	-9.3	0	0	0	109.5
7	S	31.7	Very low	51.6	Low	114 Å²	114	110.5 Å²	110.5	80%	0.797	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-87.6	123	166.8	37.3	0	0	0	0	108.6	P5	P5-S7 PolarHBondContact O-N 2.96Å
8	E	35.1	Very low	53.3	Low	182 Å²	182	108.8 Å²	108.8	85%	0.85	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-59.2	143.8	163.9	-72.9	178.3	153.5	0	0	109.4	C10	E8-C10 PolarHBondContact O-N 3.44Å; E8-C10 VanDerWaalsContact O-N 3.17Å
9	P	38.5	Very low	54.9	Low	127 Å²	127	105.9 Å²	105.9	83%	0.825	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-68.2	118.1	177.6	27.5	-30	0	0	0	109.1	A11	P9-A11 PolarHBondContact O-N 2.75Å; P9-A11 VanDerWaalsContact O-N 3.17Å
10	C	41.8	Very low	56.6	Low	128 Å²	128	100.8 Å²	100.8	87%	0.865	58%	0.584	S	S	*	*			trans	-65.1	113.4	174.1	-156	0	0	0	0	108.1	E8 S12	E8-C10 PolarHBondContact O-N 3.44Å; E8-C10 VanDerWaalsContact O-N 3.17Å; C10-S12 PolarHBondContact O-N 3.01Å
11	A	58.3	Low	57.9	Low	49 Å²	49	97.7 Å²	97.7	41%	0.405	57%	0.571	S	S	.	*			trans	-53.4	135.8	178.7	0	0	0	0	0	110.4	P9 L16	P9-A11 PolarHBondContact O-N 2.75Å; P9-A11 VanDerWaalsContact O-N 3.17Å; A11-L16 HydrophobicContact CB-CD1 3.93Å; A11-L16 HydrophobicContact CB-CG 4.18Å; A11-L16 WeakPolarHBondContact O-CD1 3.26Å
12	S	75.3	Confident	60.1	Low	46 Å²	46	90.6 Å²	90.6	32%	0.322	54%	0.542	S	S	.	.			trans	-65.5	151.6	-179.3	66.2	0	0	0	0	111.1	C10 L14 E15 L16	C10-S12 PolarHBondContact O-N 3.01Å; S12-L14 PolarHBondContact O-N 3.31Å; S12-L14 VanDerWaalsContact O-N 3.1Å; S12-E15 WeakPolarHBondContact CB-OE2 3.16Å; S12-E15 PolarHBondContact N-OE2 3.24Å; S12-E15 PolarHBondContact O-N 2.84Å; S12-E15 WeakPolarHBondContact OG-CB 3.29Å; S12-E15 WeakPolarHBondContact OG-CG 3.35Å; S12-E15 PolarHBondContact OG-N 3.21Å; S12-E15 PolarHBondContact OG-OE2 2.89Å; S12-L16 PolarHBondContact O-N 2.72Å
13	P	72.6	Confident	62.8	Low	56 Å²	56	86.9 Å²	86.9	36%	0.364	51%	0.507	S	S	.	.	H	α-helix	trans	-49.3	-36.2	175.7	-36	40.4	0	0	0	115.3	F17 M58 P68	P13-F17 WeakPolarHBondContact O-CB 3.35Å; P13-F17 PolarHBondContact O-N 3.14Å; P13-M58 HydrophobicContact CB-CE 4.06Å; P13-M58 HydrophobicContact CB-SD 3.48Å; P13-M58 WeakPolarHBondContact CB-SD 3.27Å; P13-M58 HydrophobicContact CG-SD 3.65Å; P13-P68 HydrophobicContact CB-CB 4.3Å; P13-P68 HydrophobicContact CB-CG 3.98Å
14	L	77	Confident	65.3	Low	48 Å²	48	79.2 Å²	79.2	25%	0.251	47%	0.468	S	S	.	.	H	α-helix	trans	-74.6	-37.8	179	-173.1	62.3	0	0	0	112	S12 F17 N18 P67 N70	S12-L14 PolarHBondContact O-N 3.31Å; S12-L14 VanDerWaalsContact O-N 3.1Å; L14-F17 WeakPolarHBondContact O-CB 3.42Å; L14-F17 PolarHBondContact O-N 3.2Å; L14-N18 WeakPolarHBondContact O-CB 3.28Å; L14-N18 VanDerWaalsContact O-CG 3.25Å; L14-N18 PolarHBondContact O-N 2.7Å; L14-N18 PolarHBondContact O-ND2 2.9Å; L14-P67 HydrophobicContact CD1-CB 4.46Å; L14-N70 WeakPolarHBondContact CD2-OD1 3.26Å
15	E	78.3	Confident	67.9	Low	108 Å²	108	75.5 Å²	75.5	51%	0.505	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-41.1	173.7	-74.3	164	156.6	0	0	111.6	S12 N18 S19	S12-E15 WeakPolarHBondContact CB-OE2 3.16Å; S12-E15 PolarHBondContact N-OE2 3.24Å; S12-E15 PolarHBondContact O-N 2.84Å; S12-E15 WeakPolarHBondContact OG-CB 3.29Å; S12-E15 WeakPolarHBondContact OG-CG 3.35Å; S12-E15 PolarHBondContact OG-N 3.21Å; S12-E15 PolarHBondContact OG-OE2 2.89Å; E15-N18 PolarHBondContact O-N 3.12Å; E15-S19 VanDerWaalsContact O-CB 3.22Å; E15-S19 WeakPolarHBondContact O-CB 3.22Å; E15-S19 PolarHBondContact O-N 3.26Å; E15-S19 PolarHBondContact O-OG 2.73Å
16	L	80.1	Confident	70	Confident	19 Å²	19	73.3 Å²	73.3	10%	0.099	43%	0.43	C	S	.	.	H	α-helix	trans	-63.3	-42	172.6	-89.8	139.2	0	0	0	111.5	A11 S12 S19 I20 Y54	A11-L16 HydrophobicContact CB-CD1 3.93Å; A11-L16 HydrophobicContact CB-CG 4.18Å; A11-L16 WeakPolarHBondContact O-CD1 3.26Å; S12-L16 PolarHBondContact O-N 2.72Å; L16-S19 PolarHBondContact O-N 2.72Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.21Å; L16-I20 PolarHBondContact O-N 3.46Å; L16-Y54 HydrophobicContact CB-CD2 3.97Å
17	F	83.5	Confident	72.6	Confident	14 Å²	14	65.8 Å²	65.8	6%	0.061	39%	0.39	C	S	.	.	H	α-helix	trans	-59.5	-50.4	176.1	-176.1	-90.6	0	0	0	111.7	P13 L14 S19 I20 A21 Y54 Y62 K63 C66 P67 P68	P13-F17 WeakPolarHBondContact O-CB 3.35Å; P13-F17 PolarHBondContact O-N 3.14Å; L14-F17 WeakPolarHBondContact O-CB 3.42Å; L14-F17 PolarHBondContact O-N 3.2Å; F17-S19 PolarHBondContact O-N 2.98Å; F17-I20 PolarHBondContact O-N 2.78Å; F17-A21 PolarHBondContact O-N 2.66Å; F17-Y54 HydrophobicContact CB-CE2 3.93Å; F17-Y54 HydrophobicContact CD2-CE2 4.13Å; F17-Y62 AromaticContact CD2-CD2 3.9Å; F17-Y62 HydrophobicContact CD2-CD2 3.9Å; F17-Y62 AromaticContact CD2-CE2 3.62Å; F17-Y62 HydrophobicContact CD2-CE2 3.62Å; F17-Y62 HydrophobicContact CE2-CD2 4.06Å; F17-Y62 AromaticContact CE2-CE2 3.59Å; F17-Y62 HydrophobicContact CE2-CE2 3.59Å; F17-Y62 HydrophobicContact CG-CE2 4.21Å; F17-Y62 HydrophobicContact CZ-CE2 4.13Å; F17-K63 WeakPolarHBondContact CE2-O 3.34Å; F17-C66 WeakPolarHBondContact CE2-O 3.47Å; F17-P67 HydrophobicContact CD1-CB 4.02Å; F17-P67 HydrophobicContact CE1-CB 3.68Å; F17-P67 HydrophobicContact CE2-CB 4.44Å; F17-P67 HydrophobicContact CZ-CB 3.91Å; F17-P68 HydrophobicContact CB-CG 4.3Å
18	N	82.5	Confident	75.3	Confident	81 Å²	81	67.3 Å²	67.3	43%	0.433	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-39.3	178.8	-68.9	-21.5	0	0	0	111.5	L14 E15 I20 A21 T22	L14-N18 WeakPolarHBondContact O-CB 3.28Å; L14-N18 VanDerWaalsContact O-CG 3.25Å; L14-N18 PolarHBondContact O-N 2.7Å; L14-N18 PolarHBondContact O-ND2 2.9Å; E15-N18 PolarHBondContact O-N 3.12Å; N18-I20 VanDerWaalsContact C-N 3.33Å; N18-I20 PolarHBondContact O-N 2.8Å; N18-A21 PolarHBondContact O-N 2.79Å; N18-T22 WeakPolarHBondContact O-CB 3.38Å; N18-T22 PolarHBondContact O-N 3.44Å; N18-T22 PolarHBondContact O-OG1 3.33Å
19	S	83.2	Confident	77.4	Confident	54 Å²	54	61.3 Å²	61.3	38%	0.378	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-37.7	176.8	-60.9	0	0	0	0	112.1	E15 L16 F17 Q23	E15-S19 VanDerWaalsContact O-CB 3.22Å; E15-S19 WeakPolarHBondContact O-CB 3.22Å; E15-S19 PolarHBondContact O-N 3.26Å; E15-S19 PolarHBondContact O-OG 2.73Å; L16-S19 PolarHBondContact O-N 2.72Å; F17-S19 PolarHBondContact O-N 2.98Å; S19-Q23 WeakPolarHBondContact O-CB 3.39Å; S19-Q23 PolarHBondContact O-N 3.2Å
20	I	88.7	Confident	79.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-67.3	-40.7	173.7	-68	164.7	0	0	0	111.1	L16 F17 N18 G24 L47 L50 K51 Y54 Y62	L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.21Å; L16-I20 PolarHBondContact O-N 3.46Å; F17-I20 PolarHBondContact O-N 2.78Å; N18-I20 VanDerWaalsContact C-N 3.33Å; N18-I20 PolarHBondContact O-N 2.8Å; I20-G24 PolarHBondContact O-N 2.81Å; I20-L47 HydrophobicContact CG2-CD1 4.04Å; I20-L50 HydrophobicContact CG1-CB 3.7Å; I20-K51 HydrophobicContact CD1-CG 4.18Å; I20-K51 HydrophobicContact CG1-CG 4.34Å; I20-K51 HydrophobicContact CG2-CG 3.87Å; I20-Y54 HydrophobicContact CD1-CD1 4.48Å; I20-Y54 HydrophobicContact CD1-CD2 4.05Å; I20-Y54 HydrophobicContact CD1-CG 3.73Å; I20-Y62 HydrophobicContact CB-CD2 3.95Å; I20-Y62 HydrophobicContact CB-CE2 3.83Å; I20-Y62 HydrophobicContact CD1-CD2 3.85Å; I20-Y62 HydrophobicContact CD1-CG 4.29Å; I20-Y62 HydrophobicContact CG2-CD1 3.83Å; I20-Y62 HydrophobicContact CG2-CD2 3.6Å; I20-Y62 HydrophobicContact CG2-CE1 3.81Å; I20-Y62 HydrophobicContact CG2-CE2 3.56Å; I20-Y62 HydrophobicContact CG2-CG 3.72Å
21	A	84.8	Confident	81.4	Confident	36 Å²	36	57.5 Å²	57.5	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-49.1	177.5	0	0	0	0	0	111.3	F17 N18 G24 E25	F17-A21 PolarHBondContact O-N 2.66Å; N18-A21 PolarHBondContact O-N 2.79Å; A21-G24 PolarHBondContact O-N 2.73Å; A21-E25 PolarHBondContact O-N 3.01Å
22	T	85.3	Confident	82.3	Confident	100 Å²	100	58.8 Å²	58.8	61%	0.613	33%	0.325	S	S	*	.	H	α-helix	trans	-62	-47.5	177.4	-58.4	0	0	0	0	111.8	N18 G24 E25 L26	N18-T22 WeakPolarHBondContact O-CB 3.38Å; N18-T22 PolarHBondContact O-N 3.44Å; N18-T22 PolarHBondContact O-OG1 3.33Å; T22-G24 VanDerWaalsContact C-N 3.28Å; T22-G24 PolarHBondContact O-N 3.3Å; T22-E25 PolarHBondContact O-N 3.37Å; T22-L26 PolarHBondContact O-N 3.33Å
23	Q	88.6	Confident	82	Confident	23 Å²	23	59.4 Å²	59.4	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-32.8	178	-170.3	65.2	18.8	0	0	111.8	S19 L26 V27 A43 L47 L50	S19-Q23 WeakPolarHBondContact O-CB 3.39Å; S19-Q23 PolarHBondContact O-N 3.2Å; Q23-L26 PolarHBondContact O-N 3.01Å; Q23-V27 WeakPolarHBondContact O-CG2 3.18Å; Q23-V27 PolarHBondContact O-N 2.81Å; Q23-A43 PolarHBondContact NE2-O 3.46Å; Q23-A43 VanDerWaalsContact NE2-O 3.1Å; Q23-L47 HydrophobicContact CB-CD1 4.07Å; Q23-L47 HydrophobicContact CG-CB 3.89Å; Q23-L47 HydrophobicContact CG-CD1 4.16Å; Q23-L50 HydrophobicContact CB-CD1 3.9Å; Q23-L50 HydrophobicContact CG-CD1 4.09Å
24	G	86.9	Confident	81.4	Confident	9 Å²	9	62.6 Å²	62.6	9%	0.093	35%	0.352	C	S	.	.	H	α-helix	trans	-65.8	-38	173.8	0	0	0	0	0	112.7	I20 A21 T22 R28	I20-G24 PolarHBondContact O-N 2.81Å; A21-G24 PolarHBondContact O-N 2.73Å; T22-G24 VanDerWaalsContact C-N 3.28Å; T22-G24 PolarHBondContact O-N 3.3Å; G24-R28 WeakPolarHBondContact O-CG 3.38Å; G24-R28 PolarHBondContact O-N 3.31Å; G24-R28 VanDerWaalsContact O-N 3.16Å
25	E	84.6	Confident	81.7	Confident	102 Å²	102	61.4 Å²	61.4	48%	0.477	35%	0.35	S	S	.	.	H	α-helix	trans	-69.8	-40.5	173.9	-166	56.7	-144.3	0	0	111.7	A21 T22 V27 R28 S29	A21-E25 PolarHBondContact O-N 3.01Å; T22-E25 PolarHBondContact O-N 3.37Å; E25-V27 PolarHBondContact O-N 2.85Å; E25-R28 CarbonylContact O-C 3.56Å; E25-R28 WeakPolarHBondContact O-CB 3.5Å; E25-R28 PolarHBondContact O-N 3.28Å; E25-R28 VanDerWaalsContact O-N 3.09Å; E25-R28 IonicContact OE2-CZ 3.19Å; E25-R28 IonicContact OE2-NE 2.87Å; E25-R28 PolarHBondContact OE2-NE 3.33Å; E25-R28 IonicContact OE2-NH2 2.68Å; E25-R28 PolarHBondContact OE2-NH2 2.95Å; E25-S29 PolarHBondContact O-N 2.9Å; E25-S29 PolarHBondContact O-OG 3.41Å
26	L	82.1	Confident	82.2	Confident	73 Å²	73	58.8 Å²	58.8	38%	0.382	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-43.8	173.6	-178.6	62.6	0	0	0	111.9	T22 Q23 R28 S29 L30	T22-L26 PolarHBondContact O-N 3.33Å; Q23-L26 PolarHBondContact O-N 3.01Å; L26-R28 VanDerWaalsContact C-N 3.28Å; L26-R28 PolarHBondContact O-N 3.42Å; L26-S29 WeakPolarHBondContact CA-OG 3.44Å; L26-S29 PolarHBondContact O-N 3.43Å; L26-S29 PolarHBondContact O-OG 3.39Å; L26-L30 HydrophobicContact CD1-CD1 4.09Å; L26-L30 HydrophobicContact CD1-CD2 4.48Å; L26-L30 HydrophobicContact CD1-CG 4.03Å; L26-L30 HydrophobicContact CG-CD1 3.89Å; L26-L30 HydrophobicContact CG-CG 4.27Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.09Å
27	V	85.9	Confident	82.5	Confident	10 Å²	10	65.5 Å²	65.5	6%	0.061	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-35.5	175.4	169.7	0	0	0	0	111.6	Q23 E25 K31 A43 V44 L47	Q23-V27 WeakPolarHBondContact O-CG2 3.18Å; Q23-V27 PolarHBondContact O-N 2.81Å; E25-V27 PolarHBondContact O-N 2.85Å; V27-K31 HydrophobicContact CG1-CD 4.27Å; V27-K31 WeakPolarHBondContact O-CB 3.31Å; V27-K31 VanDerWaalsContact O-CG 3.26Å; V27-K31 WeakPolarHBondContact O-CG 3.25Å; V27-K31 PolarHBondContact O-N 3.36Å; V27-A43 HydrophobicContact CG2-CB 3.8Å; V27-V44 HydrophobicContact CG1-CG2 3.66Å; V27-V44 HydrophobicContact CG2-CG2 4.15Å; V27-L47 HydrophobicContact CB-CD2 4.42Å; V27-L47 HydrophobicContact CG2-CB 4.38Å; V27-L47 HydrophobicContact CG2-CD2 4.13Å
28	R	88.3	Confident	82.7	Confident	146 Å²	146	71 Å²	71	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-69.1	-43.7	175.7	-76.7	-173.4	-72.4	-97.3	1.4	111.7	G24 E25 L26 K31 A32	G24-R28 WeakPolarHBondContact O-CG 3.38Å; G24-R28 PolarHBondContact O-N 3.31Å; G24-R28 VanDerWaalsContact O-N 3.16Å; E25-R28 CarbonylContact O-C 3.56Å; E25-R28 WeakPolarHBondContact O-CB 3.5Å; E25-R28 PolarHBondContact O-N 3.28Å; E25-R28 VanDerWaalsContact O-N 3.09Å; E25-R28 IonicContact OE2-CZ 3.19Å; E25-R28 IonicContact OE2-NE 2.87Å; E25-R28 PolarHBondContact OE2-NE 3.33Å; E25-R28 IonicContact OE2-NH2 2.68Å; E25-R28 PolarHBondContact OE2-NH2 2.95Å; L26-R28 VanDerWaalsContact C-N 3.28Å; L26-R28 PolarHBondContact O-N 3.42Å; R28-K31 PolarHBondContact O-N 2.62Å; R28-A32 WeakPolarHBondContact O-CB 3.13Å; R28-A32 PolarHBondContact O-N 2.99Å; R28-A32 VanDerWaalsContact O-N 3.09Å
29	S	79.8	Confident	82.6	Confident	57 Å²	57	72.2 Å²	72.2	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-68.4	-41.4	179.4	68.6	0	0	0	0	112	E25 L26 K31 A32 G33	E25-S29 PolarHBondContact O-N 2.9Å; E25-S29 PolarHBondContact O-OG 3.41Å; L26-S29 WeakPolarHBondContact CA-OG 3.44Å; L26-S29 PolarHBondContact O-N 3.43Å; L26-S29 PolarHBondContact O-OG 3.39Å; S29-K31 VanDerWaalsContact C-N 3.33Å; S29-K31 PolarHBondContact O-N 2.97Å; S29-A32 CarbonylContact O-C 3.43Å; S29-A32 PolarHBondContact O-N 2.9Å; S29-A32 VanDerWaalsContact O-N 3.1Å; S29-G33 WeakPolarHBondContact O-CA 3.47Å; S29-G33 PolarHBondContact O-N 2.87Å
30	L	83	Confident	82.8	Confident	41 Å²	41	71 Å²	71	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-61.8	-40.2	175.5	-70.8	172.6	0	0	0	112	L26 A32 G33 A35 I40 A43	L26-L30 HydrophobicContact CD1-CD1 4.09Å; L26-L30 HydrophobicContact CD1-CD2 4.48Å; L26-L30 HydrophobicContact CD1-CG 4.03Å; L26-L30 HydrophobicContact CG-CD1 3.89Å; L26-L30 HydrophobicContact CG-CG 4.27Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.09Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 2.91Å; L30-G33 PolarHBondContact O-N 2.97Å; L30-A35 HydrophobicContact CB-CB 3.8Å; L30-A35 HydrophobicContact CD2-CB 3.59Å; L30-A35 HydrophobicContact CG-CB 4.27Å; L30-A35 WeakPolarHBondContact O-CB 3.45Å; L30-A35 PolarHBondContact O-N 3.11Å; L30-I40 HydrophobicContact CB-CG1 4.19Å; L30-A43 HydrophobicContact CD1-CB 3.62Å
31	K	81.5	Confident	82.7	Confident	134 Å²	134	75 Å²	75	58%	0.583	42%	0.415	S	S	*	.	H	α-helix	trans	-67.9	-28.3	174.7	-75.3	179	178.4	-172.8	0	113.3	V27 R28 S29 I40	V27-K31 HydrophobicContact CG1-CD 4.27Å; V27-K31 WeakPolarHBondContact O-CB 3.31Å; V27-K31 VanDerWaalsContact O-CG 3.26Å; V27-K31 WeakPolarHBondContact O-CG 3.25Å; V27-K31 PolarHBondContact O-N 3.36Å; R28-K31 PolarHBondContact O-N 2.62Å; S29-K31 VanDerWaalsContact C-N 3.33Å; S29-K31 PolarHBondContact O-N 2.97Å; K31-I40 HydrophobicContact CD-CG2 4.42Å; K31-I40 HydrophobicContact CG-CD1 4.14Å; K31-I40 HydrophobicContact CG-CG1 4.38Å; K31-I40 HydrophobicContact CG-CG2 3.89Å
32	A	76.8	Confident	82.9	Confident	75 Å²	75	77.3 Å²	77.3	62%	0.62	43%	0.429	S	S	*	.	H	α-helix	trans	-88.8	-23.5	178.1	0	0	0	0	0	113.4	R28 S29 L30	R28-A32 WeakPolarHBondContact O-CB 3.13Å; R28-A32 PolarHBondContact O-N 2.99Å; R28-A32 VanDerWaalsContact O-N 3.09Å; S29-A32 CarbonylContact O-C 3.43Å; S29-A32 PolarHBondContact O-N 2.9Å; S29-A32 VanDerWaalsContact O-N 3.1Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 2.91Å
33	G	68.6	Low	83	Confident	59 Å²	59	73 Å²	73	61%	0.608	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	20.4	-169.4	0	0	0	0	0	115.9	S29 L30 A35	S29-G33 WeakPolarHBondContact O-CA 3.47Å; S29-G33 PolarHBondContact O-N 2.87Å; L30-G33 PolarHBondContact O-N 2.97Å; G33-A35 PolarHBondContact O-N 3.36Å
34	N	60.9	Low	83.1	Confident	123 Å²	123	73.7 Å²	73.7	66%	0.658	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	33.5	179.9	-59.7	-21.1	0	0	0	115
35	A	83.3	Confident	83.3	Confident	23 Å²	23	81 Å²	81	19%	0.19	44%	0.439	C	S	.	.			trans	-65.9	151.9	170.5	0	0	0	0	0	111.1	L30 G33 E39 I40	L30-A35 HydrophobicContact CB-CB 3.8Å; L30-A35 HydrophobicContact CD2-CB 3.59Å; L30-A35 HydrophobicContact CG-CB 4.27Å; L30-A35 WeakPolarHBondContact O-CB 3.45Å; L30-A35 PolarHBondContact O-N 3.11Å; G33-A35 PolarHBondContact O-N 3.36Å; A35-E39 HydrophobicContact CB-CB 4.39Å; A35-I40 HydrophobicContact CB-CD1 4.47Å; A35-I40 HydrophobicContact CB-CG1 4.1Å
36	S	87.8	Confident	83.3	Confident	54 Å²	54	81.3 Å²	81.3	38%	0.378	44%	0.441	S	S	.	.			trans	-64.9	155.9	177.6	68.3	0	0	0	0	111.3	D38 E39 I40	S36-D38 PolarHBondContact O-N 3.33Å; S36-E39 WeakPolarHBondContact CB-OE2 3.24Å; S36-E39 PolarHBondContact N-OE2 3.22Å; S36-E39 PolarHBondContact O-N 2.88Å; S36-E39 VanDerWaalsContact O-N 3.15Å; S36-E39 VanDerWaalsContact OG-CD 3.23Å; S36-E39 VanDerWaalsContact OG-CG 3.23Å; S36-E39 WeakPolarHBondContact OG-CG 3.43Å; S36-E39 PolarHBondContact OG-N 3.22Å; S36-E39 PolarHBondContact OG-OE2 3Å; S36-I40 WeakPolarHBondContact O-CG1 3.22Å; S36-I40 PolarHBondContact O-N 2.59Å
37	K	85.9	Confident	83.7	Confident	160 Å²	160	78.9 Å²	78.9	70%	0.696	43%	0.428	S	S	*	.	H	α-helix	trans	-58.1	-36.8	179.7	-169.2	176.1	177.8	-178.1	0	112	I40 D41	K37-I40 PolarHBondContact O-N 3.39Å; K37-D41 WeakPolarHBondContact O-CB 3.12Å; K37-D41 VanDerWaalsContact O-CG 3.25Å; K37-D41 PolarHBondContact O-N 3.14Å
38	D	87.6	Confident	83.9	Confident	129 Å²	129	83.3 Å²	83.3	69%	0.69	45%	0.451	S	S	*	.	H	α-helix	trans	-68	-36.9	179.3	-63.6	-27.5	0	0	0	112.3	S36 D41 S42	S36-D38 PolarHBondContact O-N 3.33Å; D38-D41 PolarHBondContact O-N 3.28Å; D38-S42 WeakPolarHBondContact O-CB 3.31Å; D38-S42 PolarHBondContact O-N 3.23Å
39	E	81.6	Confident	83.9	Confident	107 Å²	107	79.6 Å²	79.6	50%	0.5	45%	0.448	S	S	.	.	H	α-helix	trans	-68.6	-41.8	175.1	-72.2	166.3	132.1	0	0	111.7	A35 S36 S42 A43	A35-E39 HydrophobicContact CB-CB 4.39Å; S36-E39 WeakPolarHBondContact CB-OE2 3.24Å; S36-E39 PolarHBondContact N-OE2 3.22Å; S36-E39 PolarHBondContact O-N 2.88Å; S36-E39 VanDerWaalsContact O-N 3.15Å; S36-E39 VanDerWaalsContact OG-CD 3.23Å; S36-E39 VanDerWaalsContact OG-CG 3.23Å; S36-E39 WeakPolarHBondContact OG-CG 3.43Å; S36-E39 PolarHBondContact OG-N 3.22Å; S36-E39 PolarHBondContact OG-OE2 3Å; E39-S42 PolarHBondContact O-N 3.26Å; E39-A43 WeakPolarHBondContact O-CB 3.39Å; E39-A43 PolarHBondContact O-N 3.28Å
40	I	88	Confident	84.3	Confident	29 Å²	29	78.6 Å²	78.6	15%	0.149	44%	0.438	C	S	.	.	H	α-helix	trans	-62.5	-45.5	175.1	-65.2	168	0	0	0	110.1	L30 K31 A35 S36 K37 A43 V44	L30-I40 HydrophobicContact CB-CG1 4.19Å; K31-I40 HydrophobicContact CD-CG2 4.42Å; K31-I40 HydrophobicContact CG-CD1 4.14Å; K31-I40 HydrophobicContact CG-CG1 4.38Å; K31-I40 HydrophobicContact CG-CG2 3.89Å; A35-I40 HydrophobicContact CB-CD1 4.47Å; A35-I40 HydrophobicContact CB-CG1 4.1Å; S36-I40 WeakPolarHBondContact O-CG1 3.22Å; S36-I40 PolarHBondContact O-N 2.59Å; K37-I40 PolarHBondContact O-N 3.39Å; I40-A43 PolarHBondContact O-N 2.96Å; I40-V44 HydrophobicContact CG2-CG2 4.29Å; I40-V44 WeakPolarHBondContact O-CB 3.36Å; I40-V44 WeakPolarHBondContact O-CG2 3.45Å; I40-V44 PolarHBondContact O-N 3.15Å
41	D	85.8	Confident	84.5	Confident	86 Å²	86	80.6 Å²	80.6	46%	0.46	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-38.7	-178.4	-74.9	-16.4	0	0	0	111.8	K37 D38 V44 K45	K37-D41 WeakPolarHBondContact O-CB 3.12Å; K37-D41 VanDerWaalsContact O-CG 3.25Å; K37-D41 PolarHBondContact O-N 3.14Å; D38-D41 PolarHBondContact O-N 3.28Å; D41-V44 PolarHBondContact O-N 2.87Å; D41-K45 WeakPolarHBondContact O-CB 3.09Å; D41-K45 PolarHBondContact O-N 3.26Å
42	S	88.7	Confident	84.7	Confident	83 Å²	83	81 Å²	81	58%	0.58	45%	0.45	S	S	*	.	H	α-helix	trans	-62.8	-46.9	173.3	-170.6	0	0	0	0	112	D38 E39 V44 K45 M46	D38-S42 WeakPolarHBondContact O-CB 3.31Å; D38-S42 PolarHBondContact O-N 3.23Å; E39-S42 PolarHBondContact O-N 3.26Å; S42-V44 PolarHBondContact O-N 3.06Å; S42-K45 WeakPolarHBondContact O-CB 3.42Å; S42-K45 PolarHBondContact O-N 2.95Å; S42-M46 PolarHBondContact O-N 3.05Å
43	A	86.6	Confident	84.9	Confident	9 Å²	9	80.2 Å²	80.2	7%	0.074	44%	0.44	C	S	.	.	H	α-helix	trans	-65.8	-36.8	179	0	0	0	0	0	112.7	Q23 V27 L30 E39 I40 M46 L47	Q23-A43 PolarHBondContact NE2-O 3.46Å; Q23-A43 VanDerWaalsContact NE2-O 3.1Å; V27-A43 HydrophobicContact CG2-CB 3.8Å; L30-A43 HydrophobicContact CD1-CB 3.62Å; E39-A43 WeakPolarHBondContact O-CB 3.39Å; E39-A43 PolarHBondContact O-N 3.28Å; I40-A43 PolarHBondContact O-N 2.96Å; A43-M46 PolarHBondContact O-N 3.38Å; A43-L47 PolarHBondContact O-N 3.41Å
44	V	90.9	Very high	85.6	Confident	39 Å²	39	78 Å²	78	24%	0.236	41%	0.414	C	S	.	.	H	α-helix	trans	-66.5	-41.2	173.9	169.3	0	0	0	0	111.1	V27 I40 D41 S42 M46 L47 L48	V27-V44 HydrophobicContact CG1-CG2 3.66Å; V27-V44 HydrophobicContact CG2-CG2 4.15Å; I40-V44 HydrophobicContact CG2-CG2 4.29Å; I40-V44 WeakPolarHBondContact O-CB 3.36Å; I40-V44 WeakPolarHBondContact O-CG2 3.45Å; I40-V44 PolarHBondContact O-N 3.15Å; D41-V44 PolarHBondContact O-N 2.87Å; S42-V44 PolarHBondContact O-N 3.06Å; V44-M46 VanDerWaalsContact C-N 3.32Å; V44-M46 PolarHBondContact O-N 3.46Å; V44-L47 WeakPolarHBondContact O-CB 3.44Å; V44-L47 PolarHBondContact O-N 3.29Å; V44-L48 HydrophobicContact CG1-CD1 4.14Å; V44-L48 HydrophobicContact CG1-CG 4.47Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3.24Å
45	K	91.1	Very high	86.7	Confident	162 Å²	162	76.8 Å²	76.8	70%	0.704	40%	0.403	S	S	*	.	H	α-helix	trans	-61.7	-41.7	176.6	-170.3	177.8	-178.7	-179.2	0	111.5	D41 S42 L48 S49	D41-K45 WeakPolarHBondContact O-CB 3.09Å; D41-K45 PolarHBondContact O-N 3.26Å; S42-K45 WeakPolarHBondContact O-CB 3.42Å; S42-K45 PolarHBondContact O-N 2.95Å; K45-L48 PolarHBondContact O-N 3.29Å; K45-S49 PolarHBondContact O-N 2.96Å
46	M	86	Confident	86.4	Confident	108 Å²	108	79.9 Å²	79.9	53%	0.532	43%	0.428	S	S	.	.	H	α-helix	trans	-64.7	-41.9	174.5	-169	172.7	-168.6	0	0	112.1	S42 A43 V44 L48 S49 L50	S42-M46 PolarHBondContact O-N 3.05Å; A43-M46 PolarHBondContact O-N 3.38Å; V44-M46 VanDerWaalsContact C-N 3.32Å; V44-M46 PolarHBondContact O-N 3.46Å; M46-L48 PolarHBondContact O-N 3.5Å; M46-S49 WeakPolarHBondContact O-CB 3.48Å; M46-S49 PolarHBondContact O-N 2.98Å; M46-L50 HydrophobicContact CG-CD1 4.4Å; M46-L50 WeakPolarHBondContact O-CG 3.42Å; M46-L50 PolarHBondContact O-N 2.88Å
47	L	90.6	Very high	85.8	Confident	22 Å²	22	80.3 Å²	80.3	12%	0.115	44%	0.435	C	S	.	.	H	α-helix	trans	-60.7	-42.4	175.6	-179	60.4	0	0	0	112.5	I20 Q23 V27 A43 V44 L50 K51	I20-L47 HydrophobicContact CG2-CD1 4.04Å; Q23-L47 HydrophobicContact CB-CD1 4.07Å; Q23-L47 HydrophobicContact CG-CB 3.89Å; Q23-L47 HydrophobicContact CG-CD1 4.16Å; V27-L47 HydrophobicContact CB-CD2 4.42Å; V27-L47 HydrophobicContact CG2-CB 4.38Å; V27-L47 HydrophobicContact CG2-CD2 4.13Å; A43-L47 PolarHBondContact O-N 3.41Å; V44-L47 WeakPolarHBondContact O-CB 3.44Å; V44-L47 PolarHBondContact O-N 3.29Å; L47-L50 PolarHBondContact O-N 3.17Å; L47-K51 WeakPolarHBondContact O-CG 3.26Å; L47-K51 PolarHBondContact O-N 3.03Å
48	L	89.6	Confident	85.5	Confident	103 Å²	103	76.1 Å²	76.1	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-41.9	176.6	-70.6	171.9	0	0	0	111.5	V44 K45 M46 L50 K51 M52	V44-L48 HydrophobicContact CG1-CD1 4.14Å; V44-L48 HydrophobicContact CG1-CG 4.47Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3.24Å; K45-L48 PolarHBondContact O-N 3.29Å; M46-L48 PolarHBondContact O-N 3.5Å; L48-L50 PolarHBondContact O-N 3.4Å; L48-K51 PolarHBondContact O-N 2.87Å; L48-M52 WeakPolarHBondContact O-CG 3.38Å; L48-M52 PolarHBondContact O-N 3.43Å
49	S	87.5	Confident	84.9	Confident	69 Å²	69	73.1 Å²	73.1	48%	0.483	42%	0.419	S	S	.	.	H	α-helix	trans	-59.9	-45.5	175.4	-170.4	0	0	0	0	111.7	K45 M46 K51 M52 S53	K45-S49 PolarHBondContact O-N 2.96Å; M46-S49 WeakPolarHBondContact O-CB 3.48Å; M46-S49 PolarHBondContact O-N 2.98Å; S49-K51 PolarHBondContact O-N 3.28Å; S49-M52 PolarHBondContact O-N 3.28Å; S49-S53 PolarHBondContact O-N 2.98Å; S49-S53 PolarHBondContact O-OG 3.04Å
50	L	87.9	Confident	84.7	Confident	35 Å²	35	74 Å²	74	18%	0.183	42%	0.423	C	S	.	.	H	α-helix	trans	-63.7	-41.7	178.3	-74	168	0	0	0	111.9	I20 Q23 M46 L47 L48 M52 S53 Y54	I20-L50 HydrophobicContact CG1-CB 3.7Å; Q23-L50 HydrophobicContact CB-CD1 3.9Å; Q23-L50 HydrophobicContact CG-CD1 4.09Å; M46-L50 HydrophobicContact CG-CD1 4.4Å; M46-L50 WeakPolarHBondContact O-CG 3.42Å; M46-L50 PolarHBondContact O-N 2.88Å; L47-L50 PolarHBondContact O-N 3.17Å; L48-L50 PolarHBondContact O-N 3.4Å; L50-M52 VanDerWaalsContact C-N 3.33Å; L50-M52 PolarHBondContact O-N 3.17Å; L50-S53 PolarHBondContact O-N 3.41Å; L50-Y54 WeakPolarHBondContact O-CB 3.47Å; L50-Y54 PolarHBondContact O-N 3.49Å
51	K	87.9	Confident	84.5	Confident	84 Å²	84	77.2 Å²	77.2	37%	0.365	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-36.9	175	-75.4	-176.9	176.5	-172.8	0	112.8	I20 L47 L48 S49 K55	I20-K51 HydrophobicContact CD1-CG 4.18Å; I20-K51 HydrophobicContact CG1-CG 4.34Å; I20-K51 HydrophobicContact CG2-CG 3.87Å; L47-K51 WeakPolarHBondContact O-CG 3.26Å; L47-K51 PolarHBondContact O-N 3.03Å; L48-K51 PolarHBondContact O-N 2.87Å; S49-K51 PolarHBondContact O-N 3.28Å; K51-K55 WeakPolarHBondContact O-CB 3.38Å; K51-K55 PolarHBondContact O-N 2.93Å
52	M	86	Confident	84.5	Confident	142 Å²	142	75.4 Å²	75.4	70%	0.7	43%	0.427	S	S	*	.	H	α-helix	trans	-65.5	-44.8	174	-73.8	179.7	64.4	0	0	111.7	L48 S49 L50 Y54 K55 A56	L48-M52 WeakPolarHBondContact O-CG 3.38Å; L48-M52 PolarHBondContact O-N 3.43Å; S49-M52 PolarHBondContact O-N 3.28Å; L50-M52 VanDerWaalsContact C-N 3.33Å; L50-M52 PolarHBondContact O-N 3.17Å; M52-Y54 VanDerWaalsContact C-N 3.33Å; M52-Y54 PolarHBondContact O-N 2.88Å; M52-K55 PolarHBondContact O-N 3.02Å; M52-A56 WeakPolarHBondContact O-CB 3.22Å; M52-A56 PolarHBondContact O-N 3.13Å
53	S	80.1	Confident	84.2	Confident	58 Å²	58	77.6 Å²	77.6	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-62.3	-39.7	176.1	-60.7	0	0	0	0	112.1	S49 L50 A56 A57	S49-S53 PolarHBondContact O-N 2.98Å; S49-S53 PolarHBondContact O-OG 3.04Å; L50-S53 PolarHBondContact O-N 3.41Å; S53-A56 PolarHBondContact O-N 2.84Å; S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.36Å
54	Y	83.1	Confident	83.7	Confident	14 Å²	14	80.1 Å²	80.1	6%	0.055	45%	0.447	C	S	.	.	H	α-helix	trans	-65.2	-43.4	175.1	-176.8	-89.2	0	0	0	112.3	L16 F17 I20 L50 M52 A56 A57 M58 P68	L16-Y54 HydrophobicContact CB-CD2 3.97Å; F17-Y54 HydrophobicContact CB-CE2 3.93Å; F17-Y54 HydrophobicContact CD2-CE2 4.13Å; I20-Y54 HydrophobicContact CD1-CD1 4.48Å; I20-Y54 HydrophobicContact CD1-CD2 4.05Å; I20-Y54 HydrophobicContact CD1-CG 3.73Å; L50-Y54 WeakPolarHBondContact O-CB 3.47Å; L50-Y54 PolarHBondContact O-N 3.49Å; M52-Y54 VanDerWaalsContact C-N 3.33Å; M52-Y54 PolarHBondContact O-N 2.88Å; Y54-A56 VanDerWaalsContact C-N 3.32Å; Y54-A56 PolarHBondContact O-N 2.88Å; Y54-A57 PolarHBondContact O-N 2.94Å; Y54-M58 HydrophobicContact CD1-CB 4.43Å; Y54-M58 HydrophobicContact CD1-CG 4.3Å; Y54-M58 HydrophobicContact CD2-CG 4.1Å; Y54-M58 HydrophobicContact CE1-CB 4.15Å; Y54-M58 HydrophobicContact CE1-CG 4.02Å; Y54-M58 HydrophobicContact CE2-CG 3.81Å; Y54-M58 HydrophobicContact CG-CG 4.34Å; Y54-M58 WeakPolarHBondContact O-CB 3.42Å; Y54-M58 WeakPolarHBondContact O-CG 3.48Å; Y54-M58 PolarHBondContact O-N 3.22Å; Y54-P68 HydrophobicContact CE2-CG 4.49Å
55	K	84.4	Confident	82.8	Confident	97 Å²	97	85.6 Å²	85.6	42%	0.422	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-40.2	175.1	-172.2	-178.4	-167.8	140.7	0	112.2	K51 M52 A57 G59 E60 D61	K51-K55 WeakPolarHBondContact O-CB 3.38Å; K51-K55 PolarHBondContact O-N 2.93Å; M52-K55 PolarHBondContact O-N 3.02Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-G59 WeakPolarHBondContact O-CA 3.45Å; K55-G59 PolarHBondContact O-N 3.28Å; K55-E60 WeakPolarHBondContact CA-O 3.31Å; K55-D61 VanDerWaalsContact CD-OD1 3.26Å; K55-D61 WeakPolarHBondContact CD-OD1 3.32Å; K55-D61 WeakPolarHBondContact CE-OD1 3.05Å; K55-D61 IonicContact NZ-OD1 2.76Å; K55-D61 PolarHBondContact NZ-OD1 2.79Å; K55-D61 IonicContact NZ-OD2 2.98Å; K55-D61 PolarHBondContact NZ-OD2 3.35Å
56	A	77.6	Confident	81.6	Confident	87 Å²	87	82 Å²	82	72%	0.719	47%	0.47	S	S	*	.	H	α-helix	trans	-66.2	-36.6	176.7	0	0	0	0	0	112.3	M52 S53 Y54	M52-A56 WeakPolarHBondContact O-CB 3.22Å; M52-A56 PolarHBondContact O-N 3.13Å; S53-A56 PolarHBondContact O-N 2.84Å; Y54-A56 VanDerWaalsContact C-N 3.32Å; Y54-A56 PolarHBondContact O-N 2.88Å
57	A	76	Confident	80.8	Confident	64 Å²	64	80.7 Å²	80.7	53%	0.529	47%	0.469	S	S	.	.	H	α-helix	trans	-79.2	-35.9	179.7	0	0	0	0	0	113.7	S53 Y54 K55	S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.36Å; Y54-A57 PolarHBondContact O-N 2.94Å; K55-A57 VanDerWaalsContact C-N 3.34Å
58	M	78.9	Confident	79.6	Confident	71 Å²	71	80.8 Å²	80.8	35%	0.35	47%	0.471	S	S	.	.	H	α-helix	trans	-105.8	-12.2	-170.8	-62.4	-59.4	-75.9	0	0	114.4	P13 Y54 E60 P68	P13-M58 HydrophobicContact CB-CE 4.06Å; P13-M58 HydrophobicContact CB-SD 3.48Å; P13-M58 WeakPolarHBondContact CB-SD 3.27Å; P13-M58 HydrophobicContact CG-SD 3.65Å; Y54-M58 HydrophobicContact CD1-CB 4.43Å; Y54-M58 HydrophobicContact CD1-CG 4.3Å; Y54-M58 HydrophobicContact CD2-CG 4.1Å; Y54-M58 HydrophobicContact CE1-CB 4.15Å; Y54-M58 HydrophobicContact CE1-CG 4.02Å; Y54-M58 HydrophobicContact CE2-CG 3.81Å; Y54-M58 HydrophobicContact CG-CG 4.34Å; Y54-M58 WeakPolarHBondContact O-CB 3.42Å; Y54-M58 WeakPolarHBondContact O-CG 3.48Å; Y54-M58 PolarHBondContact O-N 3.22Å; M58-E60 PolarHBondContact O-N 2.62Å; M58-E60 VanDerWaalsContact O-N 3.16Å; M58-P68 HydrophobicContact CE-CB 3.58Å; M58-P68 HydrophobicContact CE-CG 4.17Å
59	G	75	Confident	77.5	Confident	67 Å²	67	79.7 Å²	79.7	69%	0.691	48%	0.484	S	S	*	.	S	Bend	trans	71.9	-2.8	-175.7	0	0	0	0	0	114.7	K55	K55-G59 WeakPolarHBondContact O-CA 3.45Å; K55-G59 PolarHBondContact O-N 3.28Å
60	E	77.1	Confident	75	Confident	126 Å²	126	82.1 Å²	82.1	59%	0.589	49%	0.492	S	S	*	.	S	Bend	trans	-130.2	153.8	-179	-64.1	-164.8	173.8	0	0	112.2	K55 M58	K55-E60 WeakPolarHBondContact CA-O 3.31Å; M58-E60 PolarHBondContact O-N 2.62Å; M58-E60 VanDerWaalsContact O-N 3.16Å
61	D	83.6	Confident	72.2	Confident	96 Å²	96	86 Å²	86	51%	0.513	52%	0.52	S	S	.	.			trans	-70.4	144.7	174.9	-70.6	-58.4	0	0	0	111.8	K55 K63	K55-D61 VanDerWaalsContact CD-OD1 3.26Å; K55-D61 WeakPolarHBondContact CD-OD1 3.32Å; K55-D61 WeakPolarHBondContact CE-OD1 3.05Å; K55-D61 IonicContact NZ-OD1 2.76Å; K55-D61 PolarHBondContact NZ-OD1 2.79Å; K55-D61 IonicContact NZ-OD2 2.98Å; K55-D61 PolarHBondContact NZ-OD2 3.35Å; D61-K63 PolarHBondContact O-N 2.91Å
62	Y	85.6	Confident	69.3	Low	47 Å²	47	86.3 Å²	86.3	18%	0.184	54%	0.537	C	S	.	.			trans	-57.6	127.6	176.6	171.8	-90.2	0	0	0	112	F17 I20 A64	F17-Y62 AromaticContact CD2-CD2 3.9Å; F17-Y62 HydrophobicContact CD2-CD2 3.9Å; F17-Y62 AromaticContact CD2-CE2 3.62Å; F17-Y62 HydrophobicContact CD2-CE2 3.62Å; F17-Y62 HydrophobicContact CE2-CD2 4.06Å; F17-Y62 AromaticContact CE2-CE2 3.59Å; F17-Y62 HydrophobicContact CE2-CE2 3.59Å; F17-Y62 HydrophobicContact CG-CE2 4.21Å; F17-Y62 HydrophobicContact CZ-CE2 4.13Å; I20-Y62 HydrophobicContact CB-CD2 3.95Å; I20-Y62 HydrophobicContact CB-CE2 3.83Å; I20-Y62 HydrophobicContact CD1-CD2 3.85Å; I20-Y62 HydrophobicContact CD1-CG 4.29Å; I20-Y62 HydrophobicContact CG2-CD1 3.83Å; I20-Y62 HydrophobicContact CG2-CD2 3.6Å; I20-Y62 HydrophobicContact CG2-CE1 3.81Å; I20-Y62 HydrophobicContact CG2-CE2 3.56Å; I20-Y62 HydrophobicContact CG2-CG 3.72Å; Y62-A64 HydrophobicContact CE1-CB 3.99Å
63	K	83.1	Confident	66.9	Low	129 Å²	129	85.5 Å²	85.5	56%	0.561	54%	0.543	S	S	*	.			trans	-122.9	121.7	171.6	-66.5	173.9	-174.3	162.4	0	108.6	F17 D61 D65 C66	F17-K63 WeakPolarHBondContact CE2-O 3.34Å; D61-K63 PolarHBondContact O-N 2.91Å; K63-D65 PolarHBondContact O-N 2.82Å; K63-D65 VanDerWaalsContact O-N 3.07Å; K63-C66 PolarHBondContact O-N 2.73Å
64	A	75.9	Confident	64.2	Low	63 Å²	63	89.6 Å²	89.6	52%	0.521	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60	-24.1	-172.4	0	0	0	0	0	114.2	Y62	Y62-A64 HydrophobicContact CE1-CB 3.99Å
65	D	72.9	Confident	61.8	Low	154 Å²	154	94 Å²	94	82%	0.824	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	2.1	-172.1	-52.1	-44.6	0	0	0	114.1	K63	K63-D65 PolarHBondContact O-N 2.82Å; K63-D65 VanDerWaalsContact O-N 3.07Å
66	C	64.8	Low	59	Low	86 Å²	86	96.5 Å²	96.5	58%	0.581	62%	0.616	S	S	*	*			trans	-131.3	85	-177.7	-75.3	0	0	0	0	112.3	F17 K63	F17-C66 WeakPolarHBondContact CE2-O 3.47Å; K63-C66 PolarHBondContact O-N 2.73Å
67	P	68.5	Low	56.8	Low	81 Å²	81	101.9 Å²	101.9	53%	0.526	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-69.8	142.3	173.6	26.6	-31.8	0	0	0	112.1	L14 F17	L14-P67 HydrophobicContact CD1-CB 4.46Å; F17-P67 HydrophobicContact CD1-CB 4.02Å; F17-P67 HydrophobicContact CE1-CB 3.68Å; F17-P67 HydrophobicContact CE2-CB 4.44Å; F17-P67 HydrophobicContact CZ-CB 3.91Å
68	P	65.9	Low	54.5	Low	23 Å²	23	102 Å²	102	15%	0.149	63%	0.633	C	S	.	*	P	Polyproline II helix	trans	-70.3	139	175.9	25	-29.1	0	0	0	112.3	P13 F17 Y54 M58	P13-P68 HydrophobicContact CB-CB 4.3Å; P13-P68 HydrophobicContact CB-CG 3.98Å; F17-P68 HydrophobicContact CB-CG 4.3Å; Y54-P68 HydrophobicContact CE2-CG 4.49Å; M58-P68 HydrophobicContact CE-CB 3.58Å; M58-P68 HydrophobicContact CE-CG 4.17Å
69	G	45.4	Very low	52.4	Low	80 Å²	80	104.8 Å²	104.8	83%	0.825	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-62	143.1	-171	0	0	0	0	0	115.5
70	N	35.2	Very low	50.2	Low	120 Å²	120	109.4 Å²	109.4	64%	0.642	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-89	150.2	-168.8	-146.3	19.5	0	0	0	113.3	L14	L14-N70 WeakPolarHBondContact CD2-OD1 3.26Å
71	P	29.9	Very low	48.2	Very low	118 Å²	118	108.3 Å²	108.3	77%	0.766	68%	0.678	S	S	*	*			trans	-117.6	148.1	137.4	12.1	7.9	0	0	0	112.1
72	A	26.4	Very low	45.8	Very low	89 Å²	89	108.1 Å²	108.1	74%	0.736	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-56.9	157	-163.1	0	0	0	0	0	118
73	P	35	Very low	43.4	Very low	125 Å²	125	114.8 Å²	114.8	81%	0.812	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-88.4	134.2	-179.8	33.7	-30.6	0	0	0	112.9
74	T	25.1	Very low	41.6	Very low	145 Å²	145	113 Å²	113	89%	0.89	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-89.3	124	164.4	43.4	0	0	0	0	110.6
75	S	31.9	Very low	40.7	Very low	105 Å²	105	117.3 Å²	117.3	73%	0.734	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-68	134.8	174.4	54.9	0	0	0	0	112.6
76	N	26.3	Very low	40.9	Very low	150 Å²	150	118.1 Å²	118.1	80%	0.802	74%	0.74	S	S	*	*			trans	-171.3	113	142.5	-100.3	-12.7	0	0	0	109.3
77	H	30.9	Very low	41.9	Very low	200 Å²	200	115.4 Å²	115.4	93%	0.926	72%	0.72	S	S	*	*			trans	-171	131.4	130	-91.6	-61.1	0	0	0	108.9
78	G	26.7	Very low	42.8	Very low	66 Å²	66	116.4 Å²	116.4	68%	0.68	72%	0.717	S	S	*	*			trans	-75	-179.6	-176.9	0	0	0	0	0	114	D80	G78-D80 PolarHBondContact O-N 2.69Å
79	P	36.3	Very low	43.7	Very low	131 Å²	131	115.9 Å²	115.9	85%	0.851	71%	0.713	S	S	*	*			trans	-89.8	110.5	-154.5	33.9	-29.9	0	0	0	111.4
80	D	28.6	Very low	45.7	Very low	164 Å²	164	113.4 Å²	113.4	88%	0.877	68%	0.681	S	S	*	*			trans	-86.5	124.9	149.7	-84.3	-32.6	0	0	0	107.5	G78 A82	G78-D80 PolarHBondContact O-N 2.69Å; D80-A82 PolarHBondContact O-N 2.91Å
81	A	34.7	Very low	48.1	Very low	102 Å²	102	108.3 Å²	108.3	84%	0.843	65%	0.654	S	S	*	*			trans	-63.8	99.1	176.9	0	0	0	0	0	109	E83	A81-E83 PolarHBondContact O-N 3.32Å
82	A	33.1	Very low	50.6	Low	93 Å²	93	106.5 Å²	106.5	77%	0.769	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-60.8	117.4	166.5	0	0	0	0	0	108.2	D80 A84	D80-A82 PolarHBondContact O-N 2.91Å; A82-A84 PolarHBondContact O-N 3.4Å
83	E	34.3	Very low	53.1	Low	186 Å²	186	104.6 Å²	104.6	87%	0.869	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-54.3	124.7	161.4	-72.9	-178.2	161.8	0	0	107.3	A81 E85	A81-E83 PolarHBondContact O-N 3.32Å; E83-E85 PolarHBondContact O-N 2.82Å; E83-E85 VanDerWaalsContact O-N 3.15Å
84	A	45.3	Very low	55.5	Low	91 Å²	91	99 Å²	99	75%	0.752	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-61.7	118.5	178.9	0	0	0	0	0	108.8	A82 E86	A82-A84 PolarHBondContact O-N 3.4Å; A84-E86 PolarHBondContact O-N 2.9Å
85	E	57.7	Low	58.3	Low	155 Å²	155	97.6 Å²	97.6	72%	0.724	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-51.9	125.3	174.6	-76.3	-178.7	151.6	0	0	110.4	E83	E83-E85 PolarHBondContact O-N 2.82Å; E83-E85 VanDerWaalsContact O-N 3.15Å
86	E	77.4	Confident	60.9	Low	170 Å²	170	93.4 Å²	93.4	79%	0.794	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-72.3	145.6	178.9	-68.9	-169.7	160.8	0	0	112	A84 F88	A84-E86 PolarHBondContact O-N 2.9Å; E86-F88 PolarHBondContact O-N 2.88Å
87	D	85.6	Confident	63.6	Low	29 Å²	29	90 Å²	90	16%	0.155	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-58	127	177.5	-68.2	-17.5	0	0	0	112.1	T96 I102 D103 R110	D87-T96 WeakPolarHBondContact OD1-CB 3.4Å; D87-T96 PolarHBondContact OD1-OG1 2.9Å; D87-I102 HydrophobicContact CB-CD1 3.82Å; D87-I102 WeakPolarHBondContact OD2-CA 2.98Å; D87-D103 PolarHBondContact OD2-N 3.08Å; D87-R110 VanDerWaalsContact O-CZ 3.29Å; D87-R110 PolarHBondContact O-NH1 3.42Å; D87-R110 PolarHBondContact O-NH2 2.81Å
88	F	86.6	Confident	66.3	Low	103 Å²	103	82.6 Å²	82.6	45%	0.452	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.7	174.8	-170.5	-94.9	0	0	0	110.7	E86 D90 T93 V94 Q95	E86-F88 PolarHBondContact O-N 2.88Å; F88-D90 HydrophobicContact CE1-CB 4.14Å; F88-D90 VanDerWaalsContact CE1-OD2 3.25Å; F88-D90 WeakPolarHBondContact CE1-OD2 3.44Å; F88-D90 HydrophobicContact CZ-CB 4.32Å; F88-D90 WeakPolarHBondContact CZ-OD2 3.41Å; F88-T93 HydrophobicContact CD1-CG2 3.97Å; F88-T93 HydrophobicContact CE1-CG2 4.27Å; F88-V94 WeakPolarHBondContact O-CA 3.35Å; F88-Q95 HydrophobicContact CB-CB 4.46Å; F88-Q95 PolarHBondContact N-O 3.46Å; F88-Q95 PolarHBondContact O-N 3.11Å
89	V	85.8	Confident	69.1	Low	11 Å²	11	81.4 Å²	81.4	7%	0.067	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	114.2	179.7	-179.7	0	0	0	0	109.6	V94 I102 L107 F111 D316 F343	V89-V94 HydrophobicContact CG1-CG2 4.4Å; V89-V94 HydrophobicContact CG2-CG1 4.43Å; V89-I102 HydrophobicContact CG2-CD1 3.91Å; V89-I102 HydrophobicContact CG2-CG2 4.43Å; V89-L107 HydrophobicContact CB-CD1 4.18Å; V89-L107 HydrophobicContact CG1-CD2 4.31Å; V89-L107 HydrophobicContact CG2-CD1 4.19Å; V89-L107 HydrophobicContact CG2-CD2 4.11Å; V89-F111 HydrophobicContact CB-CZ 4.24Å; V89-F111 HydrophobicContact CG1-CE2 4.36Å; V89-F111 HydrophobicContact CG1-CZ 4.12Å; V89-D316 HydrophobicContact CG1-CB 4.33Å; V89-F343 HydrophobicContact CG1-CE2 3.96Å; V89-F343 HydrophobicContact CG1-CZ 3.66Å; V89-F343 HydrophobicContact CG2-CE2 4.22Å
90	D	87.5	Confident	71.3	Confident	29 Å²	29	81.1 Å²	81.1	16%	0.155	46%	0.456	C	S	.	.			trans	-140.4	177.1	169.5	80.6	13.5	0	0	0	109.9	F88 W92 T93 D316	F88-D90 HydrophobicContact CE1-CB 4.14Å; F88-D90 VanDerWaalsContact CE1-OD2 3.25Å; F88-D90 WeakPolarHBondContact CE1-OD2 3.44Å; F88-D90 HydrophobicContact CZ-CB 4.32Å; F88-D90 WeakPolarHBondContact CZ-OD2 3.41Å; D90-W92 PolarHBondContact O-N 3.05Å; D90-W92 VanDerWaalsContact O-N 3.11Å; D90-W92 WeakPolarHBondContact OD1-CA 3.46Å; D90-W92 PolarHBondContact OD1-N 3.15Å; D90-T93 PolarHBondContact N-O 2.73Å; D90-T93 PolarHBondContact O-N 2.9Å; D90-T93 PolarHBondContact OD1-N 2.83Å; D90-D316 WeakPolarHBondContact O-CB 3.35Å
91	P	84.2	Confident	74.3	Confident	13 Å²	13	73.7 Å²	73.7	8%	0.084	42%	0.418	C	S	.	.	S	Bend	trans	-58.1	-24.1	-178.5	-26.6	35.6	0	0	0	115.5	F271 D316 P319 Y320	P91-F271 HydrophobicContact CG-CD1 4.25Å; P91-F271 HydrophobicContact CG-CE1 4.28Å; P91-D316 WeakPolarHBondContact CA-O 3.46Å; P91-D316 WeakPolarHBondContact CG-O 3.39Å; P91-P319 HydrophobicContact CG-CG 4.47Å; P91-Y320 HydrophobicContact CB-CE2 3.71Å; P91-Y320 HydrophobicContact CG-CD2 4.05Å; P91-Y320 HydrophobicContact CG-CE2 3.51Å
92	W	82.6	Confident	76.9	Confident	79 Å²	79	69.4 Å²	69.4	30%	0.299	38%	0.381	S	S	.	.	S	Bend	trans	-100.9	-34.1	-175.3	-59.6	-74.2	0	0	0	112.8	D90 W207 F271 F273	D90-W92 PolarHBondContact O-N 3.05Å; D90-W92 VanDerWaalsContact O-N 3.11Å; D90-W92 WeakPolarHBondContact OD1-CA 3.46Å; D90-W92 PolarHBondContact OD1-N 3.15Å; W92-W207 AromaticContact CE2-NE1 3.73Å; W92-W207 HydrophobicContact CH2-CZ2 4.43Å; W92-W207 AromaticContact CZ2-CE2 3.93Å; W92-W207 AromaticContact CZ2-CZ2 3.55Å; W92-W207 HydrophobicContact CZ2-CZ2 3.55Å; W92-W207 AromaticContact CZ2-NE1 3.91Å; W92-W207 AromaticContact NE1-CD1 3.9Å; W92-W207 AromaticContact NE1-CE2 3.91Å; W92-W207 AromaticContact NE1-NE1 3.38Å; W92-F271 HydrophobicContact CH2-CB 3.77Å; W92-F271 AromaticContact CH2-CD1 3.84Å; W92-F271 HydrophobicContact CH2-CD1 3.84Å; W92-F271 HydrophobicContact CH2-CG 4.15Å; W92-F271 HydrophobicContact CZ3-CB 3.87Å; W92-F271 HydrophobicContact CZ3-CD1 4.1Å; W92-F271 HydrophobicContact CZ3-CG 4.47Å; W92-F271 VanDerWaalsContact CZ3-O 3.3Å; W92-F271 WeakPolarHBondContact CZ3-O 3.09Å; W92-F273 AromaticContact CH2-CE1 3.66Å; W92-F273 HydrophobicContact CH2-CE1 3.66Å; W92-F273 AromaticContact CH2-CZ 3.75Å; W92-F273 HydrophobicContact CH2-CZ 3.75Å; W92-F273 HydrophobicContact CZ2-CE1 4.06Å; W92-F273 HydrophobicContact CZ2-CZ 4.16Å; W92-F273 HydrophobicContact CZ3-CE1 4.49Å
93	T	80.4	Confident	79.7	Confident	49 Å²	49	67.8 Å²	67.8	30%	0.301	36%	0.359	S	S	.	.			trans	-134.9	132.1	-167.1	-53.5	0	0	0	0	111.6	F88 D90 Q95	F88-T93 HydrophobicContact CD1-CG2 3.97Å; F88-T93 HydrophobicContact CE1-CG2 4.27Å; D90-T93 PolarHBondContact N-O 2.73Å; D90-T93 PolarHBondContact O-N 2.9Å; D90-T93 PolarHBondContact OD1-N 2.83Å; T93-Q95 HydrophobicContact CG2-CG 3.71Å
94	V	83.8	Confident	82.5	Confident	9 Å²	9	61.4 Å²	61.4	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117	168.8	177.6	0	0	0	0	107.2	F88 V89 I102 F343 K353	F88-V94 WeakPolarHBondContact O-CA 3.35Å; V89-V94 HydrophobicContact CG1-CG2 4.4Å; V89-V94 HydrophobicContact CG2-CG1 4.43Å; V94-I102 HydrophobicContact CG1-CD1 3.86Å; V94-I102 HydrophobicContact CG1-CG1 3.89Å; V94-F343 HydrophobicContact CB-CD2 4.48Å; V94-F343 HydrophobicContact CB-CE2 4.37Å; V94-F343 HydrophobicContact CG1-CD2 3.62Å; V94-F343 HydrophobicContact CG1-CE2 3.68Å; V94-F343 HydrophobicContact CG1-CG 4.25Å; V94-F343 HydrophobicContact CG1-CZ 4.39Å; V94-F343 HydrophobicContact CG2-CD1 4.15Å; V94-F343 HydrophobicContact CG2-CD2 4.11Å; V94-F343 HydrophobicContact CG2-CE1 3.77Å; V94-F343 HydrophobicContact CG2-CE2 3.7Å; V94-F343 HydrophobicContact CG2-CG 4.32Å; V94-F343 HydrophobicContact CG2-CZ 3.52Å; V94-K353 HydrophobicContact CB-CB 4.35Å; V94-K353 HydrophobicContact CB-CD 4.31Å; V94-K353 HydrophobicContact CB-CG 4.1Å; V94-K353 HydrophobicContact CG2-CD 3.78Å; V94-K353 HydrophobicContact CG2-CG 4.14Å
95	Q	83.9	Confident	84.7	Confident	115 Å²	115	61.6 Å²	61.6	54%	0.537	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139	-179.3	-73.4	179.2	1.6	0	0	110.7	F88 T93 Q351	F88-Q95 HydrophobicContact CB-CB 4.46Å; F88-Q95 PolarHBondContact N-O 3.46Å; F88-Q95 PolarHBondContact O-N 3.11Å; T93-Q95 HydrophobicContact CG2-CG 3.71Å; Q95-Q351 WeakPolarHBondContact CA-O 3.49Å
96	T	87.8	Confident	86.3	Confident	16 Å²	16	61.2 Å²	61.2	10%	0.098	31%	0.312	C	S	.	.			trans	-147.8	146.2	170.3	178.2	0	0	0	0	110.1	D87 S98 I102 Q351	D87-T96 WeakPolarHBondContact OD1-CB 3.4Å; D87-T96 PolarHBondContact OD1-OG1 2.9Å; T96-S98 WeakPolarHBondContact OG1-CB 3.19Å; T96-S98 PolarHBondContact OG1-N 3.25Å; T96-S98 VanDerWaalsContact OG1-N 3.07Å; T96-I102 HydrophobicContact CG2-CD1 3.9Å; T96-I102 HydrophobicContact CG2-CG1 4.34Å; T96-Q351 PolarHBondContact N-O 2.65Å; T96-Q351 VanDerWaalsContact N-O 3.16Å; T96-Q351 WeakPolarHBondContact O-CB 3.49Å
97	S	83.1	Confident	86.9	Confident	80 Å²	80	53.3 Å²	53.3	56%	0.559	28%	0.275	S	S	*	.	S	Bend	trans	-75.3	-14.4	171.2	57.8	0	0	0	0	112.2
98	S	87.8	Confident	87.1	Confident	43 Å²	43	52.7 Å²	52.7	30%	0.301	27%	0.272	S	S	.	.			trans	-78.7	125	-178.1	174.8	0	0	0	0	112.5	T96 K100 G101	T96-S98 WeakPolarHBondContact OG1-CB 3.19Å; T96-S98 PolarHBondContact OG1-N 3.25Å; T96-S98 VanDerWaalsContact OG1-N 3.07Å; S98-K100 PolarHBondContact O-N 3.3Å; S98-K100 PolarHBondContact OG-N 3.01Å; S98-G101 WeakPolarHBondContact CB-O 3.18Å; S98-G101 PolarHBondContact O-N 3.37Å; S98-G101 PolarHBondContact OG-O 2.99Å
99	A	84.1	Confident	87.4	Confident	41 Å²	41	53.5 Å²	53.5	34%	0.339	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.8	170.8	0	0	0	0	0	113.9	G101 V400	A99-G101 PolarHBondContact O-N 3.42Å; A99-V400 HydrophobicContact CB-CG1 4.08Å
100	K	83.9	Confident	87.5	Confident	126 Å²	126	57.7 Å²	57.7	55%	0.548	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-6	172.9	-61	-169.9	174.6	-149.5	0	112.7	S98 D399 V400	S98-K100 PolarHBondContact O-N 3.3Å; S98-K100 PolarHBondContact OG-N 3.01Å; K100-D399 HydrophobicContact CD-CB 4.24Å; K100-D399 HydrophobicContact CG-CB 4.22Å; K100-D399 IonicContact NZ-OD2 3.56Å; K100-D399 PolarHBondContact NZ-OD2 3.07Å; K100-V400 HydrophobicContact CG-CG1 4.02Å
101	G	90.1	Very high	87.6	Confident	8 Å²	8	57.3 Å²	57.3	8%	0.082	30%	0.296	C	S	.	.			trans	80.5	-165.6	-171.3	0	0	0	0	0	112.7	S98 A99 A350	S98-G101 WeakPolarHBondContact CB-O 3.18Å; S98-G101 PolarHBondContact O-N 3.37Å; S98-G101 PolarHBondContact OG-O 2.99Å; A99-G101 PolarHBondContact O-N 3.42Å; G101-A350 WeakPolarHBondContact CA-O 3.15Å
102	I	89.5	Confident	88	Confident	11 Å²	11	59 Å²	59	6%	0.056	32%	0.316	C	S	.	.			trans	-65	138.3	-172.2	-59.9	-70.3	0	0	0	111.8	D87 V89 V94 T96 Y104 L107 F343	D87-I102 HydrophobicContact CB-CD1 3.82Å; D87-I102 WeakPolarHBondContact OD2-CA 2.98Å; V89-I102 HydrophobicContact CG2-CD1 3.91Å; V89-I102 HydrophobicContact CG2-CG2 4.43Å; V94-I102 HydrophobicContact CG1-CD1 3.86Å; V94-I102 HydrophobicContact CG1-CG1 3.89Å; T96-I102 HydrophobicContact CG2-CD1 3.9Å; T96-I102 HydrophobicContact CG2-CG1 4.34Å; I102-Y104 HydrophobicContact CB-CD1 4.44Å; I102-Y104 HydrophobicContact CB-CE1 4.05Å; I102-Y104 HydrophobicContact CB-CE2 4.34Å; I102-Y104 HydrophobicContact CG2-CD1 4.06Å; I102-Y104 HydrophobicContact CG2-CE1 4.04Å; I102-Y104 VanDerWaalsContact O-CD2 3.29Å; I102-Y104 WeakPolarHBondContact O-CD2 3.38Å; I102-Y104 PolarHBondContact O-N 3.48Å; I102-Y104 VanDerWaalsContact O-N 3.08Å; I102-L107 HydrophobicContact CG2-CD2 4.01Å; I102-F343 HydrophobicContact CG1-CD2 4.19Å; I102-F343 HydrophobicContact CG1-CE2 4.42Å
103	D	92	Very high	88.7	Confident	60 Å²	60	55.8 Å²	55.8	32%	0.321	31%	0.306	S	S	.	.			trans	-77.5	90.5	167.8	-171.7	-28	0	0	0	109.9	D87 D105 K106 L107	D87-D103 PolarHBondContact OD2-N 3.08Å; D103-D105 VanDerWaalsContact C-N 3.28Å; D103-D105 PolarHBondContact O-N 3.24Å; D103-D105 PolarHBondContact OD1-N 3.17Å; D103-K106 HydrophobicContact CB-CB 4.14Å; D103-K106 HydrophobicContact CB-CD 4.13Å; D103-K106 HydrophobicContact CB-CG 4.31Å; D103-K106 PolarHBondContact O-N 2.83Å; D103-K106 PolarHBondContact OD1-N 3.48Å; D103-K106 WeakPolarHBondContact OD2-CD 3.41Å; D103-K106 WeakPolarHBondContact OD2-CE 3.36Å; D103-K106 WeakPolarHBondContact OD2-CG 3.39Å; D103-K106 IonicContact OD2-NZ 3.17Å; D103-L107 WeakPolarHBondContact O-CB 3.28Å; D103-L107 PolarHBondContact O-N 3.36Å
104	Y	92.9	Very high	89.5	Confident	52 Å²	52	56.2 Å²	56.2	20%	0.204	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-27.7	-176.6	-69.4	-66.4	0	0	0	113.8	I102 L107 I108 F142 T342 F343	I102-Y104 HydrophobicContact CB-CD1 4.44Å; I102-Y104 HydrophobicContact CB-CE1 4.05Å; I102-Y104 HydrophobicContact CB-CE2 4.34Å; I102-Y104 HydrophobicContact CG2-CD1 4.06Å; I102-Y104 HydrophobicContact CG2-CE1 4.04Å; I102-Y104 VanDerWaalsContact O-CD2 3.29Å; I102-Y104 WeakPolarHBondContact O-CD2 3.38Å; I102-Y104 PolarHBondContact O-N 3.48Å; I102-Y104 VanDerWaalsContact O-N 3.08Å; Y104-L107 HydrophobicContact CD1-CD2 4.37Å; Y104-L107 PolarHBondContact O-N 2.82Å; Y104-I108 WeakPolarHBondContact O-CG1 3.09Å; Y104-I108 PolarHBondContact O-N 3.22Å; Y104-F142 AromaticContact CD1-CE1 3.74Å; Y104-F142 HydrophobicContact CD1-CE1 3.74Å; Y104-F142 HydrophobicContact CD1-CE2 4.12Å; Y104-F142 AromaticContact CD1-CZ 3.48Å; Y104-F142 HydrophobicContact CD1-CZ 3.48Å; Y104-F142 VanDerWaalsContact CD1-CZ 3.48Å; Y104-F142 HydrophobicContact CE1-CE1 4.33Å; Y104-F142 HydrophobicContact CE1-CZ 4.41Å; Y104-F142 HydrophobicContact CG-CE1 4.32Å; Y104-F142 HydrophobicContact CG-CE2 4.2Å; Y104-F142 AromaticContact CG-CZ 4Å; Y104-F142 HydrophobicContact CG-CZ 4Å; Y104-F142 WeakPolarHBondContact O-CE2 3.07Å; Y104-T342 HydrophobicContact CD1-CG2 4.05Å; Y104-T342 HydrophobicContact CD2-CG2 3.78Å; Y104-T342 HydrophobicContact CE1-CG2 3.87Å; Y104-T342 HydrophobicContact CE2-CG2 3.6Å; Y104-T342 HydrophobicContact CG-CG2 4.01Å; Y104-T342 VanDerWaalsContact CZ-CB 3.46Å; Y104-F343 HydrophobicContact CE1-CD2 4.06Å; Y104-F343 HydrophobicContact CE1-CE2 4.37Å; Y104-F343 PolarHBondContact OH-N 2.85Å
105	D	91.3	Very high	90.2	Very high	94 Å²	94	60.3 Å²	60.3	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-74.6	-39.4	177.7	-72.5	-30.8	0	0	0	111	D103 L107 I108 V109 K115	D103-D105 VanDerWaalsContact C-N 3.28Å; D103-D105 PolarHBondContact O-N 3.24Å; D103-D105 PolarHBondContact OD1-N 3.17Å; D105-L107 VanDerWaalsContact C-N 3.31Å; D105-L107 PolarHBondContact O-N 3.02Å; D105-I108 WeakPolarHBondContact O-CB 3.3Å; D105-I108 PolarHBondContact O-N 3.15Å; D105-V109 PolarHBondContact O-N 3.13Å; D105-K115 IonicContact OD1-NZ 2.98Å; D105-K115 PolarHBondContact OD1-NZ 2.98Å
106	K	91.4	Very high	90.9	Very high	147 Å²	147	55.5 Å²	55.5	64%	0.639	31%	0.306	S	S	*	.	H	α-helix	trans	-63.4	-38.4	168.7	-73.4	-177.7	-171.5	171.3	0	112.1	D103 I108 V109 R110	D103-K106 HydrophobicContact CB-CB 4.14Å; D103-K106 HydrophobicContact CB-CD 4.13Å; D103-K106 HydrophobicContact CB-CG 4.31Å; D103-K106 PolarHBondContact O-N 2.83Å; D103-K106 PolarHBondContact OD1-N 3.48Å; D103-K106 WeakPolarHBondContact OD2-CD 3.41Å; D103-K106 WeakPolarHBondContact OD2-CE 3.36Å; D103-K106 WeakPolarHBondContact OD2-CG 3.39Å; D103-K106 IonicContact OD2-NZ 3.17Å; K106-I108 VanDerWaalsContact C-N 3.3Å; K106-I108 PolarHBondContact O-N 3.27Å; K106-V109 PolarHBondContact O-N 2.68Å; K106-V109 VanDerWaalsContact O-N 3.16Å; K106-R110 PolarHBondContact O-N 3.35Å
107	L	90.4	Very high	91.4	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-36.2	178.3	-169.4	60.2	0	0	0	112.2	V89 I102 D103 Y104 D105 V109 R110 F111 I315	V89-L107 HydrophobicContact CB-CD1 4.18Å; V89-L107 HydrophobicContact CG1-CD2 4.31Å; V89-L107 HydrophobicContact CG2-CD1 4.19Å; V89-L107 HydrophobicContact CG2-CD2 4.11Å; I102-L107 HydrophobicContact CG2-CD2 4.01Å; D103-L107 WeakPolarHBondContact O-CB 3.28Å; D103-L107 PolarHBondContact O-N 3.36Å; Y104-L107 HydrophobicContact CD1-CD2 4.37Å; Y104-L107 PolarHBondContact O-N 2.82Å; D105-L107 VanDerWaalsContact C-N 3.31Å; D105-L107 PolarHBondContact O-N 3.02Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-V109 PolarHBondContact O-N 2.76Å; L107-R110 PolarHBondContact O-N 3.04Å; L107-F111 HydrophobicContact CD1-CD1 3.98Å; L107-F111 HydrophobicContact CD1-CD2 4.25Å; L107-F111 HydrophobicContact CD1-CE1 3.73Å; L107-F111 HydrophobicContact CD1-CE2 4.01Å; L107-F111 HydrophobicContact CD1-CG 4.24Å; L107-F111 HydrophobicContact CD1-CZ 3.75Å; L107-F111 HydrophobicContact CG-CD2 4.41Å; L107-F111 HydrophobicContact CG-CE2 4.43Å; L107-F111 WeakPolarHBondContact O-CB 3.44Å; L107-F111 PolarHBondContact O-N 3.22Å; L107-I315 HydrophobicContact CD2-CD1 3.87Å; L107-I315 HydrophobicContact CD2-CG1 4.27Å; L107-I315 HydrophobicContact CD2-CG2 3.57Å; L107-I315 HydrophobicContact CG-CD1 3.98Å
108	I	91.2	Very high	92.1	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.082	32%	0.323	C	S	.	.	H	α-helix	trans	-56.6	-49.4	172	-76.3	165.8	0	0	0	110.8	Y104 D105 K106 G112 S113 K115 F142	Y104-I108 WeakPolarHBondContact O-CG1 3.09Å; Y104-I108 PolarHBondContact O-N 3.22Å; D105-I108 WeakPolarHBondContact O-CB 3.3Å; D105-I108 PolarHBondContact O-N 3.15Å; K106-I108 VanDerWaalsContact C-N 3.3Å; K106-I108 PolarHBondContact O-N 3.27Å; I108-G112 WeakPolarHBondContact O-CA 3.29Å; I108-G112 PolarHBondContact O-N 3.37Å; I108-S113 VanDerWaalsContact CG2-O 3.28Å; I108-S113 WeakPolarHBondContact CG2-O 3.45Å; I108-S113 PolarHBondContact O-N 2.72Å; I108-K115 HydrophobicContact CD1-CB 4.04Å; I108-K115 HydrophobicContact CD1-CD 3.43Å; I108-K115 VanDerWaalsContact CD1-CD 3.43Å; I108-K115 HydrophobicContact CD1-CG 4.35Å; I108-F142 HydrophobicContact CD1-CD2 3.68Å; I108-F142 HydrophobicContact CD1-CE2 3.67Å; I108-F142 HydrophobicContact CG1-CD2 4.2Å; I108-F142 HydrophobicContact CG1-CE2 3.67Å
109	V	92.3	Very high	92.7	Very high	120 Å²	120	66 Å²	66	73%	0.727	34%	0.341	S	S	*	.	H	α-helix	trans	-62.7	-48	-179.6	177.7	0	0	0	0	110.4	D105 K106 L107 F111 G112	D105-V109 PolarHBondContact O-N 3.13Å; K106-V109 PolarHBondContact O-N 2.68Å; K106-V109 VanDerWaalsContact O-N 3.16Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-V109 PolarHBondContact O-N 2.76Å; V109-F111 PolarHBondContact O-N 3.49Å; V109-G112 PolarHBondContact O-N 3.35Å; V109-G112 VanDerWaalsContact O-N 3.13Å
110	R	87.8	Confident	93.4	Very high	100 Å²	100	64.4 Å²	64.4	38%	0.377	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-45.3	-179.7	-175.4	171.4	69.8	-172.7	3.1	112.5	D87 K106 L107 G112	D87-R110 VanDerWaalsContact O-CZ 3.29Å; D87-R110 PolarHBondContact O-NH1 3.42Å; D87-R110 PolarHBondContact O-NH2 2.81Å; K106-R110 PolarHBondContact O-N 3.35Å; L107-R110 PolarHBondContact O-N 3.04Å; R110-G112 VanDerWaalsContact C-N 3.29Å
111	F	89.9	Confident	94.1	Very high	21 Å²	21	59 Å²	59	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-81.4	-13.5	-179.8	-73.3	9.2	0	0	0	111.9	V89 L107 V109 S113 R145 I315 D318 R322	V89-F111 HydrophobicContact CB-CZ 4.24Å; V89-F111 HydrophobicContact CG1-CE2 4.36Å; V89-F111 HydrophobicContact CG1-CZ 4.12Å; L107-F111 HydrophobicContact CD1-CD1 3.98Å; L107-F111 HydrophobicContact CD1-CD2 4.25Å; L107-F111 HydrophobicContact CD1-CE1 3.73Å; L107-F111 HydrophobicContact CD1-CE2 4.01Å; L107-F111 HydrophobicContact CD1-CG 4.24Å; L107-F111 HydrophobicContact CD1-CZ 3.75Å; L107-F111 HydrophobicContact CG-CD2 4.41Å; L107-F111 HydrophobicContact CG-CE2 4.43Å; L107-F111 WeakPolarHBondContact O-CB 3.44Å; L107-F111 PolarHBondContact O-N 3.22Å; V109-F111 PolarHBondContact O-N 3.49Å; F111-S113 VanDerWaalsContact C-N 3.35Å; F111-R145 PolarHBondContact O-NH2 3.21Å; F111-I315 HydrophobicContact CD2-CD1 4.18Å; F111-I315 HydrophobicContact CD2-CG1 3.85Å; F111-I315 HydrophobicContact CE2-CG1 4.07Å; F111-D318 HydrophobicContact CD2-CB 3.93Å; F111-D318 HydrophobicContact CE2-CB 4.3Å; F111-R322 PolarHBondContact O-NH1 3.43Å
112	G	92.9	Very high	94.5	Very high	47 Å²	47	61 Å²	61	49%	0.485	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	37.8	-177.6	0	0	0	0	0	112.1	I108 V109 R110 R145	I108-G112 WeakPolarHBondContact O-CA 3.29Å; I108-G112 PolarHBondContact O-N 3.37Å; V109-G112 PolarHBondContact O-N 3.35Å; V109-G112 VanDerWaalsContact O-N 3.13Å; R110-G112 VanDerWaalsContact C-N 3.29Å; G112-R145 PolarHBondContact O-NH1 3.05Å
113	S	96.3	Very high	94.9	Very high	13 Å²	13	62.3 Å²	62.3	9%	0.091	32%	0.316	C	S	.	.			trans	-93.1	-179.3	174.4	62.5	0	0	0	0	110.9	I108 F111 S143	I108-S113 VanDerWaalsContact CG2-O 3.28Å; I108-S113 WeakPolarHBondContact CG2-O 3.45Å; I108-S113 PolarHBondContact O-N 2.72Å; F111-S113 VanDerWaalsContact C-N 3.35Å; S113-S143 WeakPolarHBondContact CB-OG 3.48Å; S113-S143 PolarHBondContact OG-OG 2.69Å
114	S	97.9	Very high	95.3	Very high	58 Å²	58	59.6 Å²	59.6	41%	0.406	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.7	179.2	-59.8	0	0	0	0	110.9	S143 H144	S114-S143 CarbonylContact O-C 3.59Å; S114-S143 WeakPolarHBondContact O-CA 3.37Å; S114-S143 PolarHBondContact O-OG 2.91Å; S114-H144 WeakPolarHBondContact CB-NE2 3.5Å; S114-H144 PolarHBondContact N-O 3.29Å; S114-H144 PolarHBondContact O-CD2 2.89Å; S114-H144 PolarHBondContact O-N 2.91Å
115	K	98.3	Very high	95.5	Very high	95 Å²	95	60.8 Å²	60.8	41%	0.413	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.1	173.3	-173.7	74.4	177.7	-160.1	0	110	D105 I108 D117 F142	D105-K115 IonicContact OD1-NZ 2.98Å; D105-K115 PolarHBondContact OD1-NZ 2.98Å; I108-K115 HydrophobicContact CD1-CB 4.04Å; I108-K115 HydrophobicContact CD1-CD 3.43Å; I108-K115 VanDerWaalsContact CD1-CD 3.43Å; I108-K115 HydrophobicContact CD1-CG 4.35Å; K115-D117 PolarHBondContact O-N 2.81Å; K115-F142 WeakPolarHBondContact CD-O 3.47Å
116	I	98.7	Very high	95.9	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.072	32%	0.315	C	S	.	.			trans	-76.8	111.7	166.5	-63.6	174.1	0	0	0	107.8	L120 I121 L136 F142 H144 L339	I116-L120 HydrophobicContact CB-CD2 4.46Å; I116-L120 HydrophobicContact CG1-CD2 4.15Å; I116-L120 HydrophobicContact CG2-CD2 4.21Å; I116-I121 HydrophobicContact CG2-CD1 4.06Å; I116-I121 HydrophobicContact CG2-CG1 3.69Å; I116-L136 HydrophobicContact CD1-CD2 4.09Å; I116-L136 HydrophobicContact CG2-CD2 4.4Å; I116-F142 PolarHBondContact N-O 2.85Å; I116-H144 HydrophobicContact CD1-CB 4.32Å; I116-H144 HydrophobicContact CG1-CB 3.97Å; I116-L339 HydrophobicContact CD1-CD2 3.62Å
117	D	98.2	Very high	96.2	Very high	81 Å²	81	58.4 Å²	58.4	43%	0.433	29%	0.294	S	S	.	.			trans	-96	178.1	176.4	65.6	24.5	0	0	0	112.2	K115 E119 L120 I121	K115-D117 PolarHBondContact O-N 2.81Å; D117-E119 VanDerWaalsContact C-N 3.27Å; D117-E119 PolarHBondContact O-N 3.27Å; D117-E119 WeakPolarHBondContact OD1-CB 3.47Å; D117-E119 PolarHBondContact OD1-N 3.47Å; D117-L120 WeakPolarHBondContact OD1-CB 3.48Å; D117-L120 PolarHBondContact OD1-N 3.2Å; D117-I121 WeakPolarHBondContact O-CG1 3.2Å; D117-I121 PolarHBondContact O-N 2.87Å
118	K	98.3	Very high	96.6	Very high	135 Å²	135	59.1 Å²	59.1	59%	0.587	30%	0.299	S	S	*	.	H	α-helix	trans	-66.8	-30.2	179.6	-171.2	59.6	177.7	173.4	0	112.4	I121 N122	K118-I121 PolarHBondContact O-N 3.18Å; K118-N122 VanDerWaalsContact CE-OD1 3.26Å; K118-N122 WeakPolarHBondContact CE-OD1 3.46Å; K118-N122 WeakPolarHBondContact O-CB 3.46Å; K118-N122 PolarHBondContact O-N 3.21Å; K118-N122 PolarHBondContact O-ND2 2.89Å; K118-N122 PolarHBondContact O-OD1 3.17Å
119	E	98.6	Very high	96.9	Very high	144 Å²	144	61.5 Å²	61.5	67%	0.673	33%	0.327	S	S	*	.	H	α-helix	trans	-66.6	-46.6	179.7	-176.6	176.2	172.5	0	0	110.9	D117 I121 N122 R123	D117-E119 VanDerWaalsContact C-N 3.27Å; D117-E119 PolarHBondContact O-N 3.27Å; D117-E119 WeakPolarHBondContact OD1-CB 3.47Å; D117-E119 PolarHBondContact OD1-N 3.47Å; E119-I121 PolarHBondContact O-N 3.33Å; E119-N122 PolarHBondContact O-N 3.05Å; E119-R123 PolarHBondContact O-N 2.76Å
120	L	98.8	Very high	97.2	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-43.4	175.9	-179.2	58.5	0	0	0	111.5	I116 D117 N122 R123 I124 H144 M147 L151	I116-L120 HydrophobicContact CB-CD2 4.46Å; I116-L120 HydrophobicContact CG1-CD2 4.15Å; I116-L120 HydrophobicContact CG2-CD2 4.21Å; D117-L120 WeakPolarHBondContact OD1-CB 3.48Å; D117-L120 PolarHBondContact OD1-N 3.2Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 2.9Å; L120-R123 WeakPolarHBondContact O-CB 3.34Å; L120-R123 PolarHBondContact O-N 3.17Å; L120-R123 VanDerWaalsContact O-N 3.15Å; L120-I124 HydrophobicContact CG-CD1 4.4Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 2.85Å; L120-H144 VanDerWaalsContact CD2-CD2 3.46Å; L120-H144 WeakPolarHBondContact CD2-CD2 3.42Å; L120-H144 WeakPolarHBondContact CD2-NE2 3.2Å; L120-M147 HydrophobicContact CD1-CB 4.38Å; L120-M147 HydrophobicContact CD1-CG 4.07Å; L120-M147 HydrophobicContact CD2-CB 4.2Å; L120-M147 HydrophobicContact CD2-CG 4.3Å; L120-L151 HydrophobicContact CD1-CD1 3.6Å
121	I	98.8	Very high	97.7	Very high	14 Å²	14	63.1 Å²	63.1	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-46.9	175.4	-67.5	170.7	0	0	0	110.8	I116 D117 K118 E119 R123 I124 E125 P132 L136	I116-I121 HydrophobicContact CG2-CD1 4.06Å; I116-I121 HydrophobicContact CG2-CG1 3.69Å; D117-I121 WeakPolarHBondContact O-CG1 3.2Å; D117-I121 PolarHBondContact O-N 2.87Å; K118-I121 PolarHBondContact O-N 3.18Å; E119-I121 PolarHBondContact O-N 3.33Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 3.01Å; I121-I124 PolarHBondContact O-N 3.38Å; I121-E125 PolarHBondContact O-N 2.68Å; I121-P132 HydrophobicContact CG2-CB 3.75Å; I121-P132 HydrophobicContact CG2-CG 3.63Å; I121-L136 HydrophobicContact CD1-CB 4.48Å; I121-L136 WeakPolarHBondContact CD1-O 3.45Å; I121-L136 HydrophobicContact CG1-CB 4.35Å
122	N	98.8	Very high	98.2	Very high	49 Å²	49	62.3 Å²	62.3	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-31.5	178.3	-65	-12.5	0	0	0	111.6	K118 E119 L120 R126	K118-N122 VanDerWaalsContact CE-OD1 3.26Å; K118-N122 WeakPolarHBondContact CE-OD1 3.46Å; K118-N122 WeakPolarHBondContact O-CB 3.46Å; K118-N122 PolarHBondContact O-N 3.21Å; K118-N122 PolarHBondContact O-ND2 2.89Å; K118-N122 PolarHBondContact O-OD1 3.17Å; E119-N122 PolarHBondContact O-N 3.05Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 2.9Å; N122-R126 WeakPolarHBondContact O-CG 3.45Å; N122-R126 PolarHBondContact O-N 2.85Å; N122-R126 PolarHBondContact O-NH1 2.97Å
123	R	98.8	Very high	98.4	Very high	39 Å²	39	60.9 Å²	60.9	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-43.1	174.8	-168.8	-178.5	174.9	-175.1	4.1	111.6	E119 L120 I121 E125 R126 A127 N148 L151 D152 E155	E119-R123 PolarHBondContact O-N 2.76Å; L120-R123 WeakPolarHBondContact O-CB 3.34Å; L120-R123 PolarHBondContact O-N 3.17Å; L120-R123 VanDerWaalsContact O-N 3.15Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 3.01Å; R123-E125 VanDerWaalsContact C-N 3.31Å; R123-E125 PolarHBondContact O-N 3.42Å; R123-R126 PolarHBondContact O-N 3.49Å; R123-A127 WeakPolarHBondContact O-CB 3.49Å; R123-A127 PolarHBondContact O-N 2.91Å; R123-N148 PolarHBondContact NH1-OD1 2.96Å; R123-L151 HydrophobicContact CB-CD1 4.23Å; R123-L151 HydrophobicContact CG-CD1 3.88Å; R123-D152 IonicContact CZ-OD1 2.69Å; R123-D152 IonicContact NH1-OD1 3.21Å; R123-D152 PolarHBondContact NH1-OD1 3.14Å; R123-D152 IonicContact NH2-OD1 3.02Å; R123-D152 PolarHBondContact NH2-OD1 3.38Å; R123-E155 IonicContact CZ-OE1 2.78Å; R123-E155 IonicContact CZ-OE2 4Å; R123-E155 IonicContact NE-OE1 3.32Å; R123-E155 PolarHBondContact NE-OE1 2.79Å; R123-E155 IonicContact NE-OE2 2.76Å; R123-E155 IonicContact NH2-OE1 2.91Å; R123-E155 PolarHBondContact NH2-OE1 2.96Å; R123-E155 IonicContact NH2-OE2 3.74Å; R123-E155 PolarHBondContact NH2-OE2 3.02Å
124	I	98.8	Very high	98.5	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-44.3	173.7	-66.8	166.5	0	0	0	110.6	L120 I121 A127 T128 L136 M147 L151 W186 F191	L120-I124 HydrophobicContact CG-CD1 4.4Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 2.85Å; I121-I124 PolarHBondContact O-N 3.38Å; I124-A127 PolarHBondContact O-N 3.22Å; I124-T128 HydrophobicContact CG2-CG2 4.39Å; I124-T128 WeakPolarHBondContact O-CB 3.46Å; I124-T128 WeakPolarHBondContact O-CG2 3.26Å; I124-T128 PolarHBondContact O-N 3.28Å; I124-T128 PolarHBondContact O-OG1 3.19Å; I124-L136 HydrophobicContact CD1-CD1 4.07Å; I124-L136 HydrophobicContact CG2-CD1 4.45Å; I124-M147 HydrophobicContact CD1-CE 4.24Å; I124-M147 HydrophobicContact CG1-CE 4.28Å; I124-L151 HydrophobicContact CG1-CD1 4Å; I124-L151 HydrophobicContact CG1-CD2 4.23Å; I124-W186 HydrophobicContact CG2-CH2 4.01Å; I124-F191 HydrophobicContact CG2-CZ 4.23Å
125	E	98.8	Very high	98.6	Very high	77 Å²	77	58.6 Å²	58.6	36%	0.36	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-47.8	175.8	-175.6	162.5	-133.8	0	0	112.1	I121 R123 G129 P132	I121-E125 PolarHBondContact O-N 2.68Å; R123-E125 VanDerWaalsContact C-N 3.31Å; R123-E125 PolarHBondContact O-N 3.42Å; E125-G129 WeakPolarHBondContact O-CA 3.35Å; E125-G129 PolarHBondContact O-N 3.02Å; E125-P132 HydrophobicContact CB-CG 3.78Å; E125-P132 VanDerWaalsContact CD-CD 3.46Å; E125-P132 HydrophobicContact CG-CG 4.29Å; E125-P132 VanDerWaalsContact OE1-CD 3.22Å; E125-P132 WeakPolarHBondContact OE1-CD 3.26Å
126	R	98.8	Very high	98.6	Very high	167 Å²	167	54.2 Å²	54.2	63%	0.63	26%	0.264	S	S	*	.	H	α-helix	trans	-63.8	-41.8	177.8	-71.9	-172.3	-57.2	-87.8	5.2	112.8	N122 R123	N122-R126 WeakPolarHBondContact O-CG 3.45Å; N122-R126 PolarHBondContact O-N 2.85Å; N122-R126 PolarHBondContact O-NH1 2.97Å; R123-R126 PolarHBondContact O-N 3.49Å
127	A	98.4	Very high	98.6	Very high	24 Å²	24	57 Å²	57	20%	0.198	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-39.1	-178.1	0	0	0	0	0	112	R123 I124 L151 Y154 E155	R123-A127 WeakPolarHBondContact O-CB 3.49Å; R123-A127 PolarHBondContact O-N 2.91Å; I124-A127 PolarHBondContact O-N 3.22Å; A127-L151 HydrophobicContact CB-CD2 4.04Å; A127-Y154 HydrophobicContact CB-CD1 4.24Å; A127-Y154 HydrophobicContact CB-CE1 4.45Å; A127-E155 HydrophobicContact CB-CG 4.43Å
128	T	98.3	Very high	98.6	Very high	20 Å²	20	55.8 Å²	55.8	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-92.2	-21.9	-176.5	58.8	0	0	0	0	113.7	I124 Q130 V190 F191	I124-T128 HydrophobicContact CG2-CG2 4.39Å; I124-T128 WeakPolarHBondContact O-CB 3.46Å; I124-T128 WeakPolarHBondContact O-CG2 3.26Å; I124-T128 PolarHBondContact O-N 3.28Å; I124-T128 PolarHBondContact O-OG1 3.19Å; T128-Q130 PolarHBondContact O-N 2.68Å; T128-Q130 PolarHBondContact OG1-N 3.07Å; T128-V190 HydrophobicContact CG2-CB 3.99Å; T128-V190 HydrophobicContact CG2-CG2 3.76Å; T128-F191 HydrophobicContact CG2-CD1 3.94Å; T128-F191 HydrophobicContact CG2-CD2 4.28Å; T128-F191 HydrophobicContact CG2-CE1 3.61Å; T128-F191 HydrophobicContact CG2-CE2 3.97Å; T128-F191 HydrophobicContact CG2-CG 4.26Å; T128-F191 HydrophobicContact CG2-CZ 3.62Å
129	G	98.4	Very high	98.6	Very high	65 Å²	65	51 Å²	51	67%	0.67	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	16.1	-169.8	0	0	0	0	0	113.4	E125	E125-G129 WeakPolarHBondContact O-CA 3.35Å; E125-G129 PolarHBondContact O-N 3.02Å
130	Q	98.5	Very high	98.6	Very high	107 Å²	107	44.4 Å²	44.4	50%	0.5	22%	0.221	S	C	.	.	S	Bend	trans	-120.5	144.8	-174.1	-66.1	-69.5	-12.8	0	0	110.8	T128 V190	T128-Q130 PolarHBondContact O-N 2.68Å; T128-Q130 PolarHBondContact OG1-N 3.07Å; Q130-V190 HydrophobicContact CB-CB 4.41Å; Q130-V190 HydrophobicContact CB-CG1 3.94Å; Q130-V190 HydrophobicContact CG-CB 4.23Å; Q130-V190 HydrophobicContact CG-CG1 3.89Å
131	R	98.3	Very high	98.6	Very high	147 Å²	147	44.1 Å²	44.1	56%	0.555	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-56.7	127.5	174.1	-175.4	-179.5	180	-158.2	-0.1	109.1	H133 D414	R131-H133 PolarHBondContact O-N 2.84Å; R131-D414 IonicContact NH2-OD2 3.73Å; R131-D414 PolarHBondContact NH2-OD2 2.9Å
132	P	98.7	Very high	98.6	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.032	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-54.1	137.3	178.6	-29.6	35	0	0	0	111.5	I121 E125 L136 R137	I121-P132 HydrophobicContact CG2-CB 3.75Å; I121-P132 HydrophobicContact CG2-CG 3.63Å; E125-P132 HydrophobicContact CB-CG 3.78Å; E125-P132 VanDerWaalsContact CD-CD 3.46Å; E125-P132 HydrophobicContact CG-CG 4.29Å; E125-P132 VanDerWaalsContact OE1-CD 3.22Å; E125-P132 WeakPolarHBondContact OE1-CD 3.26Å; P132-L136 HydrophobicContact CB-CB 4.43Å; P132-L136 HydrophobicContact CB-CD1 4.39Å; P132-R137 HydrophobicContact CB-CG 4.15Å; P132-R137 PolarHBondContact O-NH1 3.26Å
133	H	98.8	Very high	98.6	Very high	17 Å²	17	41.3 Å²	41.3	8%	0.079	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-52.9	147.5	177.9	-164	-103.6	0	0	0	111.6	R131 F135 L136 R137 F183 W186	R131-H133 PolarHBondContact O-N 2.84Å; H133-F135 AromaticContact CE1-CD1 3.91Å; H133-F135 AromaticContact CE1-CD2 3.35Å; H133-F135 WeakPolarHBondContact CE1-CD2 3.46Å; H133-F135 AromaticContact CE1-CE2 3.6Å; H133-F135 AromaticContact CE1-CG 3.52Å; H133-F135 AromaticContact CE1-CZ 4Å; H133-F135 WeakPolarHBondContact ND1-CB 3.23Å; H133-F135 AromaticContact ND1-CD1 3.96Å; H133-F135 AromaticContact ND1-CD2 3.36Å; H133-F135 WeakPolarHBondContact ND1-CD2 3.45Å; H133-F135 AromaticContact ND1-CG 3.27Å; H133-F135 VanDerWaalsContact ND1-CG 3.27Å; H133-F135 WeakPolarHBondContact ND1-CG 3.29Å; H133-F135 PolarHBondContact ND1-N 3.23Å; H133-F135 PolarHBondContact O-N 3.41Å; H133-L136 WeakPolarHBondContact O-CB 3.36Å; H133-L136 PolarHBondContact O-N 2.93Å; H133-R137 PolarHBondContact O-N 2.83Å; H133-R137 VanDerWaalsContact O-N 3.13Å; H133-F183 HydrophobicContact CB-CD2 4.1Å; H133-F183 HydrophobicContact CB-CE2 3.87Å; H133-F183 AromaticContact ND1-CD2 3.8Å; H133-W186 HydrophobicContact CB-CD2 3.59Å; H133-W186 HydrophobicContact CB-CE3 3.77Å; H133-W186 HydrophobicContact CB-CG 4.09Å; H133-W186 HydrophobicContact CB-CH2 4.15Å; H133-W186 HydrophobicContact CB-CZ2 3.98Å; H133-W186 HydrophobicContact CB-CZ3 4.04Å; H133-W186 AromaticContact CD2-CD1 3.71Å; H133-W186 AromaticContact CD2-CG 3.58Å; H133-W186 VanDerWaalsContact N-CZ2 3.28Å
134	R	98.6	Very high	98.6	Very high	22 Å²	22	40.2 Å²	40.2	8%	0.083	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-30.4	179.1	65.8	-177.1	174.7	-93	2.8	112.7	L136 R137 R138 F409 E412	R134-L136 VanDerWaalsContact C-N 3.31Å; R134-L136 PolarHBondContact O-N 3.42Å; R134-R137 PolarHBondContact O-N 3.06Å; R134-R138 VanDerWaalsContact O-CB 3.29Å; R134-R138 WeakPolarHBondContact O-CB 3.38Å; R134-R138 VanDerWaalsContact O-CG 3.3Å; R134-R138 WeakPolarHBondContact O-CG 3.27Å; R134-R138 PolarHBondContact O-N 3.4Å; R134-F409 PolarHBondContact NE-O 3.03Å; R134-E412 IonicContact CZ-OE1 3.44Å; R134-E412 IonicContact NH1-OE1 3.36Å; R134-E412 PolarHBondContact NH1-OE1 2.93Å; R134-E412 IonicContact NH2-OE1 2.69Å
135	F	98.8	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-30.7	177	-62	-20.7	0	0	0	113.7	H133 G139 I140 F141 I179 I182 F183 F409	H133-F135 AromaticContact CE1-CD1 3.91Å; H133-F135 AromaticContact CE1-CD2 3.35Å; H133-F135 WeakPolarHBondContact CE1-CD2 3.46Å; H133-F135 AromaticContact CE1-CE2 3.6Å; H133-F135 AromaticContact CE1-CG 3.52Å; H133-F135 AromaticContact CE1-CZ 4Å; H133-F135 WeakPolarHBondContact ND1-CB 3.23Å; H133-F135 AromaticContact ND1-CD1 3.96Å; H133-F135 AromaticContact ND1-CD2 3.36Å; H133-F135 WeakPolarHBondContact ND1-CD2 3.45Å; H133-F135 AromaticContact ND1-CG 3.27Å; H133-F135 VanDerWaalsContact ND1-CG 3.27Å; H133-F135 WeakPolarHBondContact ND1-CG 3.29Å; H133-F135 PolarHBondContact ND1-N 3.23Å; H133-F135 PolarHBondContact O-N 3.41Å; F135-G139 PolarHBondContact O-N 2.81Å; F135-I140 HydrophobicContact CB-CB 3.9Å; F135-I140 HydrophobicContact CB-CG2 4.01Å; F135-I140 HydrophobicContact CD1-CB 4.1Å; F135-I140 HydrophobicContact CD1-CD1 3.48Å; F135-I140 VanDerWaalsContact CD1-CD1 3.48Å; F135-I140 HydrophobicContact CD1-CG1 4.39Å; F135-I140 HydrophobicContact CD1-CG2 3.96Å; F135-I140 HydrophobicContact CE1-CD1 3.98Å; F135-I140 HydrophobicContact CG-CB 4.2Å; F135-I140 HydrophobicContact CG-CD1 4.41Å; F135-I140 HydrophobicContact CG-CG2 3.94Å; F135-I140 WeakPolarHBondContact O-CA 3.27Å; F135-I140 PolarHBondContact O-N 3.48Å; F135-F141 HydrophobicContact CB-CD2 3.88Å; F135-F141 HydrophobicContact CD2-CD2 4.09Å; F135-F141 HydrophobicContact CD2-CE2 4.13Å; F135-F141 HydrophobicContact CG-CD2 4.39Å; F135-F141 PolarHBondContact O-N 3.07Å; F135-I179 HydrophobicContact CD2-CG2 4.49Å; F135-I179 HydrophobicContact CE2-CG2 4.06Å; F135-I179 WeakPolarHBondContact CE2-O 3.49Å; F135-I179 HydrophobicContact CZ-CD1 3.95Å; F135-I179 HydrophobicContact CZ-CG2 4.28Å; F135-I182 HydrophobicContact CE2-CB 4.26Å; F135-I182 HydrophobicContact CE2-CG2 4.01Å; F135-I182 HydrophobicContact CZ-CG2 4.33Å; F135-F183 HydrophobicContact CB-CD2 4.29Å; F135-F183 HydrophobicContact CD2-CB 3.91Å; F135-F183 HydrophobicContact CD2-CD2 4.02Å; F135-F183 HydrophobicContact CD2-CG 4.24Å; F135-F183 HydrophobicContact CE2-CB 4.29Å; F135-F409 HydrophobicContact CE1-CB 4.28Å; F135-F409 HydrophobicContact CE1-CD1 4.24Å; F135-F409 VanDerWaalsContact CE1-O 3.27Å; F135-F409 WeakPolarHBondContact CE1-O 3.43Å
136	L	98.8	Very high	98.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-74.9	-47	170.2	-69.6	170.6	0	0	0	110.3	I116 I121 I124 P132 H133 R134 R138 G139 F141 F183 W186	I116-L136 HydrophobicContact CD1-CD2 4.09Å; I116-L136 HydrophobicContact CG2-CD2 4.4Å; I121-L136 HydrophobicContact CD1-CB 4.48Å; I121-L136 WeakPolarHBondContact CD1-O 3.45Å; I121-L136 HydrophobicContact CG1-CB 4.35Å; I124-L136 HydrophobicContact CD1-CD1 4.07Å; I124-L136 HydrophobicContact CG2-CD1 4.45Å; P132-L136 HydrophobicContact CB-CB 4.43Å; P132-L136 HydrophobicContact CB-CD1 4.39Å; H133-L136 WeakPolarHBondContact O-CB 3.36Å; H133-L136 PolarHBondContact O-N 2.93Å; R134-L136 VanDerWaalsContact C-N 3.31Å; R134-L136 PolarHBondContact O-N 3.42Å; L136-R138 PolarHBondContact O-N 3.24Å; L136-G139 PolarHBondContact O-N 2.87Å; L136-F141 HydrophobicContact CD2-CB 4.09Å; L136-F183 HydrophobicContact CD1-CE2 4.16Å; L136-F183 HydrophobicContact CD1-CZ 4.11Å; L136-F183 HydrophobicContact CD2-CE2 4.48Å; L136-F183 HydrophobicContact CD2-CZ 3.97Å; L136-F183 HydrophobicContact CG-CE2 3.9Å; L136-F183 HydrophobicContact CG-CZ 3.87Å; L136-W186 HydrophobicContact CD1-CH2 3.88Å; L136-W186 HydrophobicContact CD1-CZ3 3.91Å
137	R	98.5	Very high	98.6	Very high	73 Å²	73	31.6 Å²	31.6	28%	0.275	17%	0.168	S	C	.	.	H	α-helix	trans	-60.6	-32.7	-177.4	-57.9	-165.5	-51.2	-91.9	1.1	113.3	P132 H133 R134 D414	P132-R137 HydrophobicContact CB-CG 4.15Å; P132-R137 PolarHBondContact O-NH1 3.26Å; H133-R137 PolarHBondContact O-N 2.83Å; H133-R137 VanDerWaalsContact O-N 3.13Å; R134-R137 PolarHBondContact O-N 3.06Å; R137-D414 IonicContact CZ-OD2 3.2Å; R137-D414 IonicContact NE-OD2 3.24Å; R137-D414 PolarHBondContact NE-OD2 3.06Å; R137-D414 IonicContact NH2-OD1 2.72Å; R137-D414 PolarHBondContact NH2-OD1 3.06Å; R137-D414 IonicContact NH2-OD2 3.26Å; R137-D414 PolarHBondContact NH2-OD2 3.43Å
138	R	98.4	Very high	98.6	Very high	54 Å²	54	33.7 Å²	33.7	20%	0.204	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	6.6	-176.3	-59.5	175.3	-174.2	179	-4	113.5	R134 L136 I140 T408 L411 E412 D414	R134-R138 VanDerWaalsContact O-CB 3.29Å; R134-R138 WeakPolarHBondContact O-CB 3.38Å; R134-R138 VanDerWaalsContact O-CG 3.3Å; R134-R138 WeakPolarHBondContact O-CG 3.27Å; R134-R138 PolarHBondContact O-N 3.4Å; L136-R138 PolarHBondContact O-N 3.24Å; R138-I140 VanDerWaalsContact C-N 3.27Å; R138-I140 HydrophobicContact CB-CD1 4.46Å; R138-I140 PolarHBondContact O-N 3.21Å; R138-T408 VanDerWaalsContact CD-O 3.27Å; R138-T408 WeakPolarHBondContact CD-O 3.36Å; R138-T408 PolarHBondContact NH1-O 2.96Å; R138-L411 PolarHBondContact NH1-O 3.25Å; R138-L411 PolarHBondContact NH2-O 3.48Å; R138-E412 PolarHBondContact NH2-O 2.77Å; R138-D414 IonicContact CZ-OD1 2.8Å; R138-D414 IonicContact NE-OD1 3.47Å; R138-D414 PolarHBondContact NE-OD1 2.96Å; R138-D414 IonicContact NH2-OD1 3.79Å; R138-D414 PolarHBondContact NH2-OD1 2.86Å
139	G	98.3	Very high	98.6	Very high	35 Å²	35	37 Å²	37	36%	0.361	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	31.1	179.7	0	0	0	0	0	114	F135 L136 F142	F135-G139 PolarHBondContact O-N 2.81Å; L136-G139 PolarHBondContact O-N 2.87Å; G139-F142 WeakPolarHBondContact O-CB 3.47Å
140	I	98.4	Very high	98.6	Very high	5 Å²	5	34 Å²	34	3%	0.026	16%	0.158	C	C	.	.	S	Bend	trans	-77.2	-48.1	168.9	-72.9	160.8	0	0	0	108.9	F135 R138 I179 S341 T342 T408 F409	F135-I140 HydrophobicContact CB-CB 3.9Å; F135-I140 HydrophobicContact CB-CG2 4.01Å; F135-I140 HydrophobicContact CD1-CB 4.1Å; F135-I140 HydrophobicContact CD1-CD1 3.48Å; F135-I140 VanDerWaalsContact CD1-CD1 3.48Å; F135-I140 HydrophobicContact CD1-CG1 4.39Å; F135-I140 HydrophobicContact CD1-CG2 3.96Å; F135-I140 HydrophobicContact CE1-CD1 3.98Å; F135-I140 HydrophobicContact CG-CB 4.2Å; F135-I140 HydrophobicContact CG-CD1 4.41Å; F135-I140 HydrophobicContact CG-CG2 3.94Å; F135-I140 WeakPolarHBondContact O-CA 3.27Å; F135-I140 PolarHBondContact O-N 3.48Å; R138-I140 VanDerWaalsContact C-N 3.27Å; R138-I140 HydrophobicContact CB-CD1 4.46Å; R138-I140 PolarHBondContact O-N 3.21Å; I140-I179 HydrophobicContact CG2-CG2 4.08Å; I140-S341 CarbonylContact O-C 3.32Å; I140-S341 WeakPolarHBondContact O-CA 3.5Å; I140-T342 PolarHBondContact O-N 2.83Å; I140-T408 WeakPolarHBondContact CD1-O 3.27Å; I140-F409 HydrophobicContact CB-CE1 4.29Å; I140-F409 HydrophobicContact CD1-CB 4.34Å; I140-F409 HydrophobicContact CD1-CD1 3.58Å; I140-F409 HydrophobicContact CD1-CD2 4.46Å; I140-F409 HydrophobicContact CD1-CE1 3.96Å; I140-F409 HydrophobicContact CD1-CG 3.87Å; I140-F409 HydrophobicContact CG1-CD1 4.02Å; I140-F409 HydrophobicContact CG1-CE1 3.85Å; I140-F409 HydrophobicContact CG1-CZ 4.26Å; I140-F409 HydrophobicContact CG2-CD1 3.82Å; I140-F409 HydrophobicContact CG2-CE1 3.48Å; I140-F409 VanDerWaalsContact CG2-CE1 3.48Å; I140-F409 HydrophobicContact CG2-CZ 4.46Å
141	F	98.8	Very high	98.6	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.5	159.3	-87	-93.6	0	0	0	107.1	F135 L136 I179 F183 P312 L339 H340	F135-F141 HydrophobicContact CB-CD2 3.88Å; F135-F141 HydrophobicContact CD2-CD2 4.09Å; F135-F141 HydrophobicContact CD2-CE2 4.13Å; F135-F141 HydrophobicContact CG-CD2 4.39Å; F135-F141 PolarHBondContact O-N 3.07Å; L136-F141 HydrophobicContact CD2-CB 4.09Å; F141-I179 HydrophobicContact CE2-CG2 4.43Å; F141-F183 HydrophobicContact CB-CE1 4.24Å; F141-F183 HydrophobicContact CB-CZ 4.26Å; F141-F183 AromaticContact CD1-CD1 3.76Å; F141-F183 HydrophobicContact CD1-CD1 3.76Å; F141-F183 AromaticContact CD1-CE1 3.61Å; F141-F183 HydrophobicContact CD1-CE1 3.61Å; F141-F183 HydrophobicContact CD1-CZ 4.44Å; F141-F183 HydrophobicContact CD2-CB 4.14Å; F141-F183 AromaticContact CD2-CD1 3.54Å; F141-F183 HydrophobicContact CD2-CD1 3.54Å; F141-F183 HydrophobicContact CD2-CD2 4.08Å; F141-F183 AromaticContact CD2-CE1 3.86Å; F141-F183 HydrophobicContact CD2-CE1 3.86Å; F141-F183 HydrophobicContact CD2-CE2 4.39Å; F141-F183 AromaticContact CD2-CG 3.64Å; F141-F183 HydrophobicContact CD2-CG 3.64Å; F141-F183 HydrophobicContact CD2-CZ 4.28Å; F141-F183 AromaticContact CE1-CD1 3.51Å; F141-F183 HydrophobicContact CE1-CD1 3.51Å; F141-F183 AromaticContact CE1-CE1 3.8Å; F141-F183 HydrophobicContact CE1-CE1 3.8Å; F141-F183 HydrophobicContact CE1-CG 4.42Å; F141-F183 HydrophobicContact CE2-CB 3.43Å; F141-F183 VanDerWaalsContact CE2-CB 3.43Å; F141-F183 AromaticContact CE2-CD1 3.3Å; F141-F183 HydrophobicContact CE2-CD1 3.3Å; F141-F183 HydrophobicContact CE2-CD2 4.23Å; F141-F183 HydrophobicContact CE2-CE1 4.06Å; F141-F183 AromaticContact CE2-CG 3.38Å; F141-F183 HydrophobicContact CE2-CG 3.38Å; F141-F183 AromaticContact CG-CD1 3.76Å; F141-F183 HydrophobicContact CG-CD1 3.76Å; F141-F183 AromaticContact CG-CE1 3.61Å; F141-F183 HydrophobicContact CG-CE1 3.61Å; F141-F183 HydrophobicContact CG-CG 4.27Å; F141-F183 HydrophobicContact CG-CZ 4.06Å; F141-F183 HydrophobicContact CZ-CB 3.86Å; F141-F183 AromaticContact CZ-CD1 3.27Å; F141-F183 HydrophobicContact CZ-CD1 3.27Å; F141-F183 HydrophobicContact CZ-CE1 4.02Å; F141-F183 AromaticContact CZ-CG 3.8Å; F141-F183 HydrophobicContact CZ-CG 3.8Å; F141-P312 HydrophobicContact CE1-CB 4.24Å; F141-P312 HydrophobicContact CZ-CB 4.43Å; F141-L339 HydrophobicContact CD1-CB 3.85Å; F141-L339 HydrophobicContact CE1-CB 4.13Å; F141-L339 WeakPolarHBondContact CE1-O 3.49Å; F141-H340 WeakPolarHBondContact CA-O 3.14Å; F141-H340 VanDerWaalsContact CD1-C 3.49Å
142	F	98.6	Very high	98.6	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-18.8	-162	76	-80.7	0	0	0	113.8	Y104 I108 K115 I116 G139 I315 H340 T342	Y104-F142 AromaticContact CD1-CE1 3.74Å; Y104-F142 HydrophobicContact CD1-CE1 3.74Å; Y104-F142 HydrophobicContact CD1-CE2 4.12Å; Y104-F142 AromaticContact CD1-CZ 3.48Å; Y104-F142 HydrophobicContact CD1-CZ 3.48Å; Y104-F142 VanDerWaalsContact CD1-CZ 3.48Å; Y104-F142 HydrophobicContact CE1-CE1 4.33Å; Y104-F142 HydrophobicContact CE1-CZ 4.41Å; Y104-F142 HydrophobicContact CG-CE1 4.32Å; Y104-F142 HydrophobicContact CG-CE2 4.2Å; Y104-F142 AromaticContact CG-CZ 4Å; Y104-F142 HydrophobicContact CG-CZ 4Å; Y104-F142 WeakPolarHBondContact O-CE2 3.07Å; I108-F142 HydrophobicContact CD1-CD2 3.68Å; I108-F142 HydrophobicContact CD1-CE2 3.67Å; I108-F142 HydrophobicContact CG1-CD2 4.2Å; I108-F142 HydrophobicContact CG1-CE2 3.67Å; K115-F142 WeakPolarHBondContact CD-O 3.47Å; I116-F142 PolarHBondContact N-O 2.85Å; G139-F142 WeakPolarHBondContact O-CB 3.47Å; F142-I315 HydrophobicContact CE1-CD1 4.26Å; F142-I315 HydrophobicContact CE2-CD1 4.35Å; F142-I315 HydrophobicContact CZ-CD1 3.55Å; F142-H340 WeakPolarHBondContact CD1-O 3.46Å; F142-H340 PolarHBondContact N-O 3.2Å; F142-T342 HydrophobicContact CD1-CG2 3.62Å; F142-T342 HydrophobicContact CE1-CG2 3.98Å; F142-T342 HydrophobicContact CG-CG2 4.31Å
143	S	98.7	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.9	-178.6	161.3	0	0	0	0	110.4	S113 S114 H340	S113-S143 WeakPolarHBondContact CB-OG 3.48Å; S113-S143 PolarHBondContact OG-OG 2.69Å; S114-S143 CarbonylContact O-C 3.59Å; S114-S143 WeakPolarHBondContact O-CA 3.37Å; S114-S143 PolarHBondContact O-OG 2.91Å; S143-H340 PolarHBondContact O-N 2.95Å; S143-H340 PolarHBondContact OG-ND1 2.81Å
144	H	98.8	Very high	98.6	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.069	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	168.3	178.8	77.3	92.6	0	0	0	112.4	S114 I116 L120 M147 L338 L339	S114-H144 WeakPolarHBondContact CB-NE2 3.5Å; S114-H144 PolarHBondContact N-O 3.29Å; S114-H144 PolarHBondContact O-CD2 2.89Å; S114-H144 PolarHBondContact O-N 2.91Å; I116-H144 HydrophobicContact CD1-CB 4.32Å; I116-H144 HydrophobicContact CG1-CB 3.97Å; L120-H144 VanDerWaalsContact CD2-CD2 3.46Å; L120-H144 WeakPolarHBondContact CD2-CD2 3.42Å; L120-H144 WeakPolarHBondContact CD2-NE2 3.2Å; H144-M147 HydrophobicContact CB-CB 4.08Å; H144-L338 CarbonylContact C-O 3.57Å; H144-L338 WeakPolarHBondContact CA-O 3.47Å; H144-L338 VanDerWaalsContact CB-O 3.27Å; H144-L338 WeakPolarHBondContact CB-O 3.38Å; H144-L339 HydrophobicContact CB-CD2 3.88Å
145	R	98.8	Very high	98.6	Very high	25 Å²	25	30.6 Å²	30.6	9%	0.094	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.6	162.6	-61.3	-177.8	-177.3	-80.6	3.4	108.4	F111 G112 M147 D318 A337 L338	F111-R145 PolarHBondContact O-NH2 3.21Å; G112-R145 PolarHBondContact O-NH1 3.05Å; R145-M147 PolarHBondContact O-N 3.07Å; R145-D318 IonicContact CZ-OD1 2.74Å; R145-D318 IonicContact CZ-OD2 3.67Å; R145-D318 IonicContact NE-OD1 3.7Å; R145-D318 PolarHBondContact NE-OD1 2.78Å; R145-D318 IonicContact NE-OD2 2.7Å; R145-D318 IonicContact NH2-OD1 2.81Å; R145-D318 PolarHBondContact NH2-OD1 3.11Å; R145-D318 IonicContact NH2-OD2 3.67Å; R145-D318 PolarHBondContact NH2-OD2 2.83Å; R145-A337 CarbonylContact O-C 3.46Å; R145-A337 VanDerWaalsContact O-CA 3.26Å; R145-A337 WeakPolarHBondContact O-CA 3.4Å; R145-A337 WeakPolarHBondContact O-CB 3.44Å; R145-L338 HydrophobicContact CB-CB 4.19Å; R145-L338 HydrophobicContact CB-CD1 4.15Å; R145-L338 HydrophobicContact CG-CB 4.44Å; R145-L338 HydrophobicContact CG-CD1 4.47Å; R145-L338 PolarHBondContact N-O 3.49Å; R145-L338 PolarHBondContact O-N 2.77Å
146	D	98.7	Very high	98.5	Very high	40 Å²	40	36 Å²	36	21%	0.214	18%	0.182	C	C	.	.	S	Bend	trans	54.7	20.6	174.3	-60.1	-12.9	0	0	0	116.5	N148 Q149 V150 R325 A337	D146-N148 PolarHBondContact O-N 3.25Å; D146-Q149 HydrophobicContact CB-CB 4.31Å; D146-Q149 HydrophobicContact CB-CG 4.14Å; D146-Q149 WeakPolarHBondContact O-CB 3.24Å; D146-Q149 PolarHBondContact O-N 2.81Å; D146-Q149 PolarHBondContact OD1-NE2 3.02Å; D146-Q149 PolarHBondContact OD2-NE2 3.46Å; D146-V150 PolarHBondContact O-N 2.83Å; D146-R325 IonicContact OD1-NH2 3.93Å; D146-R325 IonicContact OD2-CZ 3.79Å; D146-R325 IonicContact OD2-NH1 2.85Å; D146-R325 PolarHBondContact OD2-NH1 3.12Å; D146-R325 IonicContact OD2-NH2 3.72Å; D146-R325 PolarHBondContact OD2-NH2 3.33Å; D146-A337 HydrophobicContact CB-CB 4.2Å
147	M	98.8	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.1	-32.9	173.4	-171	62	-163.2	0	0	112.6	L120 I124 H144 R145 Q149 V150 L151 F191 L310 L339	L120-M147 HydrophobicContact CD1-CB 4.38Å; L120-M147 HydrophobicContact CD1-CG 4.07Å; L120-M147 HydrophobicContact CD2-CB 4.2Å; L120-M147 HydrophobicContact CD2-CG 4.3Å; I124-M147 HydrophobicContact CD1-CE 4.24Å; I124-M147 HydrophobicContact CG1-CE 4.28Å; H144-M147 HydrophobicContact CB-CB 4.08Å; R145-M147 PolarHBondContact O-N 3.07Å; M147-Q149 VanDerWaalsContact C-N 3.3Å; M147-Q149 PolarHBondContact O-N 3.42Å; M147-V150 HydrophobicContact CE-CG1 4.41Å; M147-V150 WeakPolarHBondContact O-CB 3.41Å; M147-V150 PolarHBondContact O-N 2.92Å; M147-V150 HydrophobicContact SD-CB 4.27Å; M147-L151 HydrophobicContact CE-CD2 4.17Å; M147-L151 HydrophobicContact CE-CG 4.18Å; M147-L151 HydrophobicContact CG-CD1 4.48Å; M147-L151 WeakPolarHBondContact O-CG 3.41Å; M147-L151 PolarHBondContact O-N 3.18Å; M147-F191 HydrophobicContact CE-CE2 4.44Å; M147-F191 HydrophobicContact CE-CZ 4.15Å; M147-L310 HydrophobicContact CE-CD2 4.14Å; M147-L310 HydrophobicContact SD-CD1 3.91Å; M147-L310 HydrophobicContact SD-CD2 3.92Å; M147-L339 HydrophobicContact CE-CD1 4.34Å; M147-L339 HydrophobicContact CG-CD2 4.24Å; M147-L339 HydrophobicContact SD-CD1 3.85Å; M147-L339 HydrophobicContact SD-CD2 4.19Å; M147-L339 HydrophobicContact SD-CG 4.05Å
148	N	98.8	Very high	98.4	Very high	69 Å²	69	47.6 Å²	47.6	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-36.5	172.4	-78.3	-51.2	0	0	0	112.6	R123 D146 L151 D152	R123-N148 PolarHBondContact NH1-OD1 2.96Å; D146-N148 PolarHBondContact O-N 3.25Å; N148-L151 PolarHBondContact O-N 3.23Å; N148-D152 WeakPolarHBondContact O-CB 3.13Å; N148-D152 PolarHBondContact O-N 3.24Å
149	Q	98.4	Very high	98.4	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-69.7	-34.4	177	-61.3	178.1	25.7	0	0	111.8	D146 M147 D152 A153	D146-Q149 HydrophobicContact CB-CB 4.31Å; D146-Q149 HydrophobicContact CB-CG 4.14Å; D146-Q149 WeakPolarHBondContact O-CB 3.24Å; D146-Q149 PolarHBondContact O-N 2.81Å; D146-Q149 PolarHBondContact OD1-NE2 3.02Å; D146-Q149 PolarHBondContact OD2-NE2 3.46Å; M147-Q149 VanDerWaalsContact C-N 3.3Å; M147-Q149 PolarHBondContact O-N 3.42Å; Q149-D152 PolarHBondContact O-N 3.14Å; Q149-A153 WeakPolarHBondContact O-CB 3.5Å; Q149-A153 PolarHBondContact O-N 3.38Å
150	V	98.8	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-45.2	172.1	178.7	0	0	0	0	110.3	D146 M147 A153 Y154 F160 Q308 L310 A337	D146-V150 PolarHBondContact O-N 2.83Å; M147-V150 HydrophobicContact CE-CG1 4.41Å; M147-V150 WeakPolarHBondContact O-CB 3.41Å; M147-V150 PolarHBondContact O-N 2.92Å; M147-V150 HydrophobicContact SD-CB 4.27Å; V150-A153 PolarHBondContact O-N 2.99Å; V150-Y154 WeakPolarHBondContact O-CB 3.5Å; V150-Y154 PolarHBondContact O-N 3.36Å; V150-F160 HydrophobicContact CG1-CD1 3.94Å; V150-F160 HydrophobicContact CG1-CD2 3.85Å; V150-F160 HydrophobicContact CG1-CE1 3.96Å; V150-F160 HydrophobicContact CG1-CE2 3.9Å; V150-F160 HydrophobicContact CG1-CG 3.87Å; V150-F160 HydrophobicContact CG1-CZ 3.94Å; V150-Q308 HydrophobicContact CG2-CG 3.89Å; V150-L310 HydrophobicContact CG1-CD2 4.29Å; V150-L310 HydrophobicContact CG2-CB 4.21Å; V150-L310 HydrophobicContact CG2-CD1 4.35Å; V150-A337 HydrophobicContact CG2-CB 3.36Å
151	L	98.8	Very high	98.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-41.1	177.6	-65.8	170.4	0	0	0	111.7	L120 R123 I124 A127 M147 N148 A153 Y154 E155 F191	L120-L151 HydrophobicContact CD1-CD1 3.6Å; R123-L151 HydrophobicContact CB-CD1 4.23Å; R123-L151 HydrophobicContact CG-CD1 3.88Å; I124-L151 HydrophobicContact CG1-CD1 4Å; I124-L151 HydrophobicContact CG1-CD2 4.23Å; A127-L151 HydrophobicContact CB-CD2 4.04Å; M147-L151 HydrophobicContact CE-CD2 4.17Å; M147-L151 HydrophobicContact CE-CG 4.18Å; M147-L151 HydrophobicContact CG-CD1 4.48Å; M147-L151 WeakPolarHBondContact O-CG 3.41Å; M147-L151 PolarHBondContact O-N 3.18Å; N148-L151 PolarHBondContact O-N 3.23Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 2.88Å; L151-Y154 PolarHBondContact O-N 3.43Å; L151-E155 VanDerWaalsContact O-CB 3.27Å; L151-E155 WeakPolarHBondContact O-CB 3.21Å; L151-E155 WeakPolarHBondContact O-CG 3.37Å; L151-E155 PolarHBondContact O-N 3.43Å; L151-F191 HydrophobicContact CD2-CE1 3.98Å; L151-F191 HydrophobicContact CD2-CZ 3.98Å
152	D	98.6	Very high	98.4	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	22%	0.221	S	C	.	.	H	α-helix	trans	-56.4	-47.1	173.1	-64	-25.2	0	0	0	110.3	R123 N148 Q149 N156	R123-D152 IonicContact CZ-OD1 2.69Å; R123-D152 IonicContact NH1-OD1 3.21Å; R123-D152 PolarHBondContact NH1-OD1 3.14Å; R123-D152 IonicContact NH2-OD1 3.02Å; R123-D152 PolarHBondContact NH2-OD1 3.38Å; N148-D152 WeakPolarHBondContact O-CB 3.13Å; N148-D152 PolarHBondContact O-N 3.24Å; Q149-D152 PolarHBondContact O-N 3.14Å; D152-N156 WeakPolarHBondContact O-CB 3.36Å; D152-N156 PolarHBondContact O-N 3.38Å; D152-N156 PolarHBondContact O-ND2 3.23Å
153	A	97.9	Very high	98.5	Very high	16 Å²	16	45.3 Å²	45.3	13%	0.132	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-50	177.2	0	0	0	0	0	111.6	Q149 V150 L151 N156 K157 K158	Q149-A153 WeakPolarHBondContact O-CB 3.5Å; Q149-A153 PolarHBondContact O-N 3.38Å; V150-A153 PolarHBondContact O-N 2.99Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 2.88Å; A153-N156 CarbonylContact O-C 3.5Å; A153-N156 PolarHBondContact O-N 3.44Å; A153-K157 PolarHBondContact O-N 2.89Å; A153-K158 HydrophobicContact CB-CB 4.03Å; A153-K158 WeakPolarHBondContact O-CB 3.33Å; A153-K158 PolarHBondContact O-N 2.78Å
154	Y	98.4	Very high	98.5	Very high	59 Å²	59	45.6 Å²	45.6	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-45.6	-177	-175.9	-105.1	0	0	0	113.1	A127 V150 L151 N156 K157 F160 F191	A127-Y154 HydrophobicContact CB-CD1 4.24Å; A127-Y154 HydrophobicContact CB-CE1 4.45Å; V150-Y154 WeakPolarHBondContact O-CB 3.5Å; V150-Y154 PolarHBondContact O-N 3.36Å; L151-Y154 PolarHBondContact O-N 3.43Å; Y154-N156 PolarHBondContact O-N 2.91Å; Y154-K157 PolarHBondContact O-N 3.27Å; Y154-F160 HydrophobicContact CD2-CD1 4.15Å; Y154-F160 AromaticContact CD2-CE1 3.62Å; Y154-F160 HydrophobicContact CD2-CE1 3.62Å; Y154-F160 HydrophobicContact CE2-CE1 4.37Å; Y154-F160 HydrophobicContact CG-CE1 4.12Å; Y154-F191 AromaticContact CD1-CD1 3.85Å; Y154-F191 HydrophobicContact CD1-CD1 3.85Å; Y154-F191 AromaticContact CD1-CE1 3.92Å; Y154-F191 HydrophobicContact CD1-CE1 3.92Å; Y154-F191 AromaticContact CD2-CD1 3.91Å; Y154-F191 HydrophobicContact CD2-CD1 3.91Å; Y154-F191 AromaticContact CE1-CD1 3.77Å; Y154-F191 HydrophobicContact CE1-CD1 3.77Å; Y154-F191 HydrophobicContact CE1-CE1 4.09Å; Y154-F191 HydrophobicContact CE2-CB 4.27Å; Y154-F191 AromaticContact CE2-CD1 3.82Å; Y154-F191 HydrophobicContact CE2-CD1 3.82Å; Y154-F191 VanDerWaalsContact CE2-O 3.31Å; Y154-F191 WeakPolarHBondContact CE2-O 3.28Å; Y154-F191 AromaticContact CG-CD1 3.91Å; Y154-F191 HydrophobicContact CG-CD1 3.91Å; Y154-F191 HydrophobicContact CG-CE1 4.2Å; Y154-F191 AromaticContact CZ-CD1 3.74Å; Y154-F191 PolarHBondContact OH-O 2.84Å
155	E	98.3	Very high	98.4	Very high	80 Å²	80	46.5 Å²	46.5	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-34.4	177.1	-70.8	166.3	179.5	0	0	111.1	R123 A127 L151 K157	R123-E155 IonicContact CZ-OE1 2.78Å; R123-E155 IonicContact CZ-OE2 4Å; R123-E155 IonicContact NE-OE1 3.32Å; R123-E155 PolarHBondContact NE-OE1 2.79Å; R123-E155 IonicContact NE-OE2 2.76Å; R123-E155 IonicContact NH2-OE1 2.91Å; R123-E155 PolarHBondContact NH2-OE1 2.96Å; R123-E155 IonicContact NH2-OE2 3.74Å; R123-E155 PolarHBondContact NH2-OE2 3.02Å; A127-E155 HydrophobicContact CB-CG 4.43Å; L151-E155 VanDerWaalsContact O-CB 3.27Å; L151-E155 WeakPolarHBondContact O-CB 3.21Å; L151-E155 WeakPolarHBondContact O-CG 3.37Å; L151-E155 PolarHBondContact O-N 3.43Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 3.13Å
156	N	97.8	Very high	98.4	Very high	115 Å²	115	46.6 Å²	46.6	62%	0.615	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	15.7	175.1	-71.4	-72.8	0	0	0	114.3	D152 A153 Y154 K158	D152-N156 WeakPolarHBondContact O-CB 3.36Å; D152-N156 PolarHBondContact O-N 3.38Å; D152-N156 PolarHBondContact O-ND2 3.23Å; A153-N156 CarbonylContact O-C 3.5Å; A153-N156 PolarHBondContact O-N 3.44Å; Y154-N156 PolarHBondContact O-N 2.91Å; N156-K158 PolarHBondContact O-N 3.02Å; N156-K158 VanDerWaalsContact O-N 3.14Å
157	K	97.3	Very high	98.2	Very high	181 Å²	181	45.3 Å²	45.3	79%	0.787	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	21.2	177.4	-46.5	-55.8	177	-168.7	0	114.4	A153 Y154 E155	A153-K157 PolarHBondContact O-N 2.89Å; Y154-K157 PolarHBondContact O-N 3.27Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 3.13Å
158	K	97.5	Very high	97.6	Very high	139 Å²	139	45.3 Å²	45.3	60%	0.604	23%	0.232	S	C	*	.			trans	-84	138.6	170.1	-65.6	-176.4	177.5	-178.1	0	109.5	A153 N156	A153-K158 HydrophobicContact CB-CB 4.03Å; A153-K158 WeakPolarHBondContact O-CB 3.33Å; A153-K158 PolarHBondContact O-N 2.78Å; N156-K158 PolarHBondContact O-N 3.02Å; N156-K158 VanDerWaalsContact O-N 3.14Å
159	P	97.9	Very high	96.6	Very high	49 Å²	49	43.2 Å²	43.2	32%	0.318	22%	0.223	S	C	.	.			trans	-70.8	149.9	-179.5	30.3	-35.9	0	0	0	111.4	I307 F474	P159-I307 HydrophobicContact CB-CD1 4.36Å; P159-I307 HydrophobicContact CB-CG2 4.34Å; P159-I307 HydrophobicContact CG-CD1 3.57Å; P159-I307 HydrophobicContact CG-CG2 4.45Å; P159-F474 HydrophobicContact CB-CD1 4.1Å; P159-F474 HydrophobicContact CB-CE1 3.82Å; P159-F474 HydrophobicContact CG-CD1 4.27Å; P159-F474 HydrophobicContact CG-CE1 4.49Å
160	F	98.8	Very high	95.7	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	163.5	162.7	78.9	-90.2	0	0	0	108.6	V150 Y154 L162 F191 V193 Q308 L310	V150-F160 HydrophobicContact CG1-CD1 3.94Å; V150-F160 HydrophobicContact CG1-CD2 3.85Å; V150-F160 HydrophobicContact CG1-CE1 3.96Å; V150-F160 HydrophobicContact CG1-CE2 3.9Å; V150-F160 HydrophobicContact CG1-CG 3.87Å; V150-F160 HydrophobicContact CG1-CZ 3.94Å; Y154-F160 HydrophobicContact CD2-CD1 4.15Å; Y154-F160 AromaticContact CD2-CE1 3.62Å; Y154-F160 HydrophobicContact CD2-CE1 3.62Å; Y154-F160 HydrophobicContact CE2-CE1 4.37Å; Y154-F160 HydrophobicContact CG-CE1 4.12Å; F160-L162 HydrophobicContact CE2-CD2 4.24Å; F160-L162 HydrophobicContact CE2-CG 4.5Å; F160-F191 HydrophobicContact CE1-CB 4.04Å; F160-F191 AromaticContact CE1-CD1 3.86Å; F160-F191 HydrophobicContact CE1-CD1 3.86Å; F160-F191 HydrophobicContact CE1-CG 4.06Å; F160-F191 HydrophobicContact CZ-CB 3.61Å; F160-F191 AromaticContact CZ-CD1 3.8Å; F160-F191 HydrophobicContact CZ-CD1 3.8Å; F160-F191 HydrophobicContact CZ-CD2 4.08Å; F160-F191 HydrophobicContact CZ-CE1 4.49Å; F160-F191 AromaticContact CZ-CG 3.57Å; F160-F191 HydrophobicContact CZ-CG 3.57Å; F160-V193 HydrophobicContact CD1-CG1 3.95Å; F160-V193 HydrophobicContact CD2-CG1 4.36Å; F160-V193 HydrophobicContact CE1-CG1 3.64Å; F160-V193 HydrophobicContact CE2-CB 4.41Å; F160-V193 HydrophobicContact CE2-CG1 4.07Å; F160-V193 HydrophobicContact CE2-CG2 3.92Å; F160-V193 HydrophobicContact CG-CG1 4.3Å; F160-V193 HydrophobicContact CZ-CB 4.44Å; F160-V193 HydrophobicContact CZ-CG1 3.71Å; F160-V193 HydrophobicContact CZ-CG2 4.05Å; F160-V193 WeakPolarHBondContact O-CG1 3.09Å; F160-Q308 CarbonylContact C-O 3.44Å; F160-Q308 WeakPolarHBondContact CA-O 3.29Å; F160-Q308 HydrophobicContact CB-CB 3.78Å; F160-Q308 HydrophobicContact CB-CG 4.25Å; F160-Q308 VanDerWaalsContact CB-O 3.25Å; F160-Q308 WeakPolarHBondContact CB-O 3.26Å; F160-L310 HydrophobicContact CD2-CB 4.16Å; F160-L310 HydrophobicContact CE2-CB 4.25Å; F160-L310 HydrophobicContact CE2-CD2 4.12Å
161	Y	98.9	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.3	175	75.9	-76	0	0	0	111.6	P194 V196 P291 S292 F293 F301 I307 Q308 C309 L310	Y161-P194 WeakPolarHBondContact CA-O 3.27Å; Y161-V196 HydrophobicContact CD2-CG2 4.04Å; Y161-V196 HydrophobicContact CE2-CG2 3.78Å; Y161-P291 PolarHBondContact OH-O 3.23Å; Y161-S292 PolarHBondContact OH-O 3.46Å; Y161-F293 PolarHBondContact OH-N 2.8Å; Y161-F293 VanDerWaalsContact OH-N 3.13Å; Y161-F301 HydrophobicContact CD1-CE2 4.35Å; Y161-F301 HydrophobicContact CD1-CZ 4.02Å; Y161-F301 HydrophobicContact CD2-CE2 4.11Å; Y161-F301 AromaticContact CD2-CZ 3.97Å; Y161-F301 HydrophobicContact CD2-CZ 3.97Å; Y161-F301 HydrophobicContact CE2-CE2 4.41Å; Y161-F301 HydrophobicContact CG-CE1 4.38Å; Y161-F301 HydrophobicContact CG-CE2 4.08Å; Y161-F301 AromaticContact CG-CZ 3.59Å; Y161-F301 HydrophobicContact CG-CZ 3.59Å; Y161-I307 HydrophobicContact CD1-CB 4.41Å; Y161-I307 HydrophobicContact CD1-CG2 3.86Å; Y161-Q308 WeakPolarHBondContact CD1-O 3.4Å; Y161-Q308 PolarHBondContact N-O 3.48Å; Y161-C309 HydrophobicContact CD1-CB 4.26Å; Y161-C309 HydrophobicContact CE1-CB 3.54Å; Y161-C309 HydrophobicContact CE2-CB 4.43Å; Y161-L310 PolarHBondContact O-N 3.25Å
162	L	98.9	Very high	93.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.4	174.3	-65.4	167.6	0	0	0	110.3	F160 T184 L187 Q188 V193 P194 L195 V196 L310 P312	F160-L162 HydrophobicContact CE2-CD2 4.24Å; F160-L162 HydrophobicContact CE2-CG 4.5Å; L162-T184 HydrophobicContact CB-CG2 4.49Å; L162-T184 HydrophobicContact CD1-CG2 4.25Å; L162-L187 HydrophobicContact CD1-CB 3.79Å; L162-L187 HydrophobicContact CD2-CB 4.14Å; L162-L187 HydrophobicContact CD2-CD1 4.08Å; L162-Q188 HydrophobicContact CD1-CB 4.03Å; L162-V193 HydrophobicContact CD1-CG2 3.71Å; L162-V193 HydrophobicContact CG-CG2 3.77Å; L162-P194 PolarHBondContact N-O 3.15Å; L162-L195 HydrophobicContact CB-CB 4.28Å; L162-L195 HydrophobicContact CB-CD1 3.51Å; L162-L195 HydrophobicContact CB-CG 4.47Å; L162-L195 WeakPolarHBondContact O-CA 3.43Å; L162-V196 PolarHBondContact O-N 2.94Å; L162-L310 WeakPolarHBondContact CA-O 3.4Å; L162-L310 HydrophobicContact CD2-CB 4.08Å; L162-L310 HydrophobicContact CD2-CD2 3.82Å; L162-L310 HydrophobicContact CD2-CG 3.97Å; L162-P312 HydrophobicContact CD2-CG 4.13Å
163	Y	98.9	Very high	93.4	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.4	168.7	162.6	-138.8	0	0	0	109.5	V196 Q198 Q288 P291 L310 I311 P312 F321	Y163-V196 WeakPolarHBondContact CA-O 3.48Å; Y163-V196 HydrophobicContact CD2-CG2 4Å; Y163-V196 HydrophobicContact CG-CG2 4.18Å; Y163-Q198 HydrophobicContact CE2-CB 3.83Å; Y163-Q198 PolarHBondContact OH-OE1 3.34Å; Y163-Q288 PolarHBondContact OH-O 2.83Å; Y163-P291 HydrophobicContact CD1-CB 3.85Å; Y163-P291 HydrophobicContact CD2-CB 3.79Å; Y163-P291 HydrophobicContact CE1-CB 3.61Å; Y163-P291 HydrophobicContact CE1-CG 4.19Å; Y163-P291 HydrophobicContact CE2-CB 3.59Å; Y163-P291 HydrophobicContact CE2-CG 4Å; Y163-P291 HydrophobicContact CG-CB 3.97Å; Y163-L310 PolarHBondContact N-O 2.64Å; Y163-I311 HydrophobicContact CD1-CD1 3.6Å; Y163-I311 HydrophobicContact CD1-CG1 3.76Å; Y163-I311 HydrophobicContact CD1-CG2 4.47Å; Y163-I311 HydrophobicContact CE1-CD1 3.98Å; Y163-I311 HydrophobicContact CG-CG1 4.41Å; Y163-I311 VanDerWaalsContact O-CA 3.27Å; Y163-I311 WeakPolarHBondContact O-CA 3.49Å; Y163-I311 WeakPolarHBondContact O-CG2 3.39Å; Y163-P312 VanDerWaalsContact O-CD 3.24Å; Y163-P312 WeakPolarHBondContact O-CD 3.45Å; Y163-F321 AromaticContact CE1-CE1 3.66Å; Y163-F321 HydrophobicContact CE1-CE1 3.66Å; Y163-F321 AromaticContact CE1-CZ 3.92Å; Y163-F321 HydrophobicContact CE1-CZ 3.92Å
164	T	98.8	Very high	93.2	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	172.4	165.6	-174.7	0	0	0	0	109.2	F181 T184 L195 V196 I197 Q198 P312	T164-F181 HydrophobicContact CG2-CD1 4.2Å; T164-F181 HydrophobicContact CG2-CE1 3.78Å; T164-T184 HydrophobicContact CG2-CG2 4.04Å; T164-L195 HydrophobicContact CG2-CD1 4.35Å; T164-V196 PolarHBondContact N-O 3.36Å; T164-I197 HydrophobicContact CG2-CG1 4.12Å; T164-I197 HydrophobicContact CG2-CG2 4.37Å; T164-I197 VanDerWaalsContact O-CA 3.29Å; T164-I197 WeakPolarHBondContact O-CA 3.5Å; T164-Q198 PolarHBondContact O-N 2.93Å; T164-P312 PolarHBondContact OG1-O 2.94Å
165	G	98.3	Very high	93.1	Very high	34 Å²	34	41 Å²	41	35%	0.351	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	169.5	178.8	0	0	0	0	0	114.1	Q198	G165-Q198 CarbonylContact C-O 3.36Å; G165-Q198 WeakPolarHBondContact CA-O 3.17Å
166	R	97.7	Very high	92.9	Very high	27 Å²	27	37.8 Å²	37.8	10%	0.102	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.9	173.7	168.8	60.7	-177.8	161.4	2.1	109.6	P168 S169 H177 F181 Q198 M199 T200 N222 I226	R166-P168 VanDerWaalsContact O-CD 3.29Å; R166-P168 WeakPolarHBondContact O-CD 3.33Å; R166-S169 PolarHBondContact NH2-OG 3.17Å; R166-H177 VanDerWaalsContact CZ-CE1 3.44Å; R166-H177 PolarHBondContact NH1-CD2 3.01Å; R166-H177 PolarHBondContact NH1-CE1 2.72Å; R166-H177 VanDerWaalsContact NH1-CE1 3.26Å; R166-H177 PolarHBondContact NH1-NE2 2.89Å; R166-H177 PolarHBondContact NH2-CE1 3.28Å; R166-H177 VanDerWaalsContact NH2-CE1 3.27Å; R166-F181 HydrophobicContact CB-CE2 4.44Å; R166-F181 HydrophobicContact CB-CZ 3.99Å; R166-Q198 PolarHBondContact N-O 2.87Å; R166-M199 HydrophobicContact CB-CE 3.93Å; R166-M199 HydrophobicContact CB-SD 3.96Å; R166-M199 HydrophobicContact CG-CE 3.77Å; R166-M199 HydrophobicContact CG-SD 4.46Å; R166-M199 WeakPolarHBondContact O-CA 3.23Å; R166-T200 PolarHBondContact O-N 3.46Å; R166-T200 VanDerWaalsContact O-N 3.09Å; R166-N222 PolarHBondContact NE-OD1 3.14Å; R166-I226 HydrophobicContact CB-CD1 4.13Å; R166-I226 HydrophobicContact CG-CD1 4.44Å
167	G	94.7	Very high	92.8	Very high	13 Å²	13	33.8 Å²	33.8	13%	0.134	18%	0.182	C	C	.	.			trans	-84.8	108.3	164.4	0	0	0	0	0	112.2	S169 T200 K204	G167-S169 PolarHBondContact O-N 3.22Å; G167-T200 WeakPolarHBondContact CA-OG1 3.29Å; G167-K204 VanDerWaalsContact O-CE 3.31Å; G167-K204 WeakPolarHBondContact O-CE 3.33Å
168	P	86.8	Confident	92.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.			trans	-76.9	91.4	-171.3	32.3	-35.5	0	0	0	111.7	R166 M199 D201 K204 A219 N222	R166-P168 VanDerWaalsContact O-CD 3.29Å; R166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-M199 HydrophobicContact CB-CE 4.36Å; P168-D201 HydrophobicContact CG-CB 4.21Å; P168-K204 HydrophobicContact CG-CG 4.38Å; P168-K204 WeakPolarHBondContact O-CG 3.24Å; P168-A219 HydrophobicContact CG-CB 4.1Å; P168-N222 HydrophobicContact CB-CB 4.26Å
169	S	76.4	Confident	92.9	Very high	25 Å²	25	18.9 Å²	18.9	18%	0.175	12%	0.117	C	C	.	.			trans	-86.9	-14	-172.3	60.6	0	0	0	0	115.7	R166 G167 K208	R166-S169 PolarHBondContact NH2-OG 3.17Å; G167-S169 PolarHBondContact O-N 3.22Å; S169-K208 PolarHBondContact O-NZ 3.21Å
170	S	80.6	Confident	92.9	Very high	33 Å²	33	17.6 Å²	17.6	23%	0.231	11%	0.109	C	C	.	.	S	Bend	trans	-167.5	165.8	-171.5	50.9	0	0	0	0	109.4	A172 N222	S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.22Å; S170-A172 PolarHBondContact OG-O 2.9Å; S170-N222 PolarHBondContact O-ND2 3.27Å
171	E	77.1	Confident	92.9	Very high	134 Å²	134	17.7 Å²	17.7	63%	0.626	11%	0.109	S	C	*	.	S	Bend	trans	-61.5	-33.7	-179.8	-66	179.1	178.9	0	0	114	Y218 N222	E171-Y218 HydrophobicContact CG-CD1 3.94Å; E171-Y218 HydrophobicContact CG-CE1 3.63Å; E171-N222 PolarHBondContact O-ND2 3.44Å
172	A	76.9	Confident	92.9	Very high	18 Å²	18	19.3 Å²	19.3	15%	0.149	12%	0.118	C	C	.	.	S	Bend	trans	-118	140.9	-175.8	0	0	0	0	0	112.8	S170 T366	S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.22Å; S170-A172 PolarHBondContact OG-O 2.9Å; A172-T366 HydrophobicContact CB-CG2 3.72Å
173	M	93.4	Very high	92.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.118	C	C	.	.			trans	-80.9	164.6	168	-68.8	169.6	65	0	0	111.9	H177 F181 D225 I226 L365	M173-H177 HydrophobicContact CB-CB 4.3Å; M173-H177 HydrophobicContact CE-CB 3.38Å; M173-F181 HydrophobicContact CE-CD2 3.65Å; M173-F181 HydrophobicContact CE-CE2 3.56Å; M173-D225 HydrophobicContact CG-CB 4.26Å; M173-D225 PolarHBondContact N-OD2 3.02Å; M173-D225 HydrophobicContact SD-CB 3.44Å; M173-D225 WeakPolarHBondContact SD-CB 3.4Å; M173-I226 HydrophobicContact CE-CG1 4.33Å; M173-I226 HydrophobicContact SD-CG1 4.13Å; M173-L365 HydrophobicContact CB-CD1 3.72Å; M173-L365 HydrophobicContact CB-CG 4.25Å; M173-L365 WeakPolarHBondContact O-CG 3.5Å; M173-L365 PolarHBondContact O-N 2.95Å
174	H	94.4	Very high	92.9	Very high	5 Å²	5	19.3 Å²	19.3	2%	0.023	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-115	167	169.5	54.6	62.1	0	0	0	111.6	G176 H177 M354 A356 I363 F364	H174-G176 PolarHBondContact ND1-N 3.42Å; H174-G176 PolarHBondContact O-N 2.76Å; H174-G176 VanDerWaalsContact O-N 3.12Å; H174-H177 AromaticContact CD2-CE1 3.4Å; H174-H177 PolarHBondContact CD2-CE1 2.93Å; H174-H177 VanDerWaalsContact CD2-CE1 3.4Å; H174-H177 AromaticContact CD2-ND1 3.94Å; H174-H177 AromaticContact CE1-CD2 3.48Å; H174-H177 PolarHBondContact CE1-CD2 3Å; H174-H177 VanDerWaalsContact CE1-CD2 3.48Å; H174-H177 AromaticContact CE1-CE1 3.25Å; H174-H177 PolarHBondContact CE1-CE1 3.15Å; H174-H177 AromaticContact CE1-CG 3.76Å; H174-H177 AromaticContact CE1-ND1 3.66Å; H174-H177 AromaticContact CE1-NE2 3.16Å; H174-H177 PolarHBondContact CE1-NE2 3.22Å; H174-H177 AromaticContact CG-CE1 3.71Å; H174-H177 AromaticContact CG-ND1 3.77Å; H174-H177 PolarHBondContact N-ND1 2.95Å; H174-H177 AromaticContact ND1-CD2 3.97Å; H174-H177 AromaticContact ND1-CE1 3.61Å; H174-H177 AromaticContact ND1-CG 3.77Å; H174-H177 AromaticContact ND1-ND1 3.59Å; H174-H177 AromaticContact ND1-NE2 3.89Å; H174-H177 AromaticContact NE2-CE1 3.09Å; H174-H177 PolarHBondContact NE2-CE1 2.72Å; H174-H177 AromaticContact NE2-ND1 3.86Å; H174-H177 AromaticContact NE2-NE2 3.22Å; H174-H177 PolarHBondContact NE2-NE2 3.28Å; H174-H177 WeakPolarHBondContact O-CB 3.15Å; H174-H177 PolarHBondContact O-N 2.94Å; H174-M354 HydrophobicContact CB-CG 4.49Å; H174-M354 HydrophobicContact CB-SD 3.79Å; H174-M354 PolarHBondContact CE1-O 2.69Å; H174-A356 PolarHBondContact CD2-N 3.46Å; H174-A356 PolarHBondContact NE2-N 2.92Å; H174-I363 VanDerWaalsContact CA-O 3.29Å; H174-I363 WeakPolarHBondContact CA-O 3.48Å; H174-I363 VanDerWaalsContact CB-O 3.23Å; H174-I363 WeakPolarHBondContact CB-O 3.42Å; H174-F364 HydrophobicContact CB-CD1 4.08Å; H174-F364 HydrophobicContact CB-CE1 4.48Å
175	V	96.1	Very high	92.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.6	-30.8	-175.7	-65.7	0	0	0	0	113.8	H177 L178 F344 M354 I363 L365 F410 I446	V175-H177 PolarHBondContact O-N 3.26Å; V175-L178 WeakPolarHBondContact O-CB 3.4Å; V175-L178 PolarHBondContact O-N 3.19Å; V175-F344 HydrophobicContact CG2-CD1 4.22Å; V175-F344 HydrophobicContact CG2-CE1 3.48Å; V175-F344 VanDerWaalsContact CG2-CE1 3.48Å; V175-F344 HydrophobicContact CG2-CZ 3.96Å; V175-M354 HydrophobicContact CG2-CE 3.86Å; V175-M354 HydrophobicContact CG2-SD 3.72Å; V175-I363 HydrophobicContact CG1-CB 4.35Å; V175-I363 HydrophobicContact CG1-CG2 4.22Å; V175-I363 HydrophobicContact CG2-CB 4.05Å; V175-I363 PolarHBondContact N-O 3.05Å; V175-L365 HydrophobicContact CG1-CD2 4.07Å; V175-F410 HydrophobicContact CB-CE2 4.33Å; V175-F410 HydrophobicContact CB-CZ 4.16Å; V175-I446 HydrophobicContact CG1-CD1 3.8Å; V175-I446 HydrophobicContact CG1-CG1 4.11Å
176	G	94.8	Very high	92.9	Very high	12 Å²	12	21.4 Å²	21.4	12%	0.124	12%	0.115	C	C	.	.	H	α-helix	trans	-60.2	-30.8	174	0	0	0	0	0	113.7	H174 L178 I179	H174-G176 PolarHBondContact ND1-N 3.42Å; H174-G176 PolarHBondContact O-N 2.76Å; H174-G176 VanDerWaalsContact O-N 3.12Å; G176-L178 VanDerWaalsContact C-N 3.28Å; G176-L178 PolarHBondContact O-N 3.24Å; G176-I179 WeakPolarHBondContact O-CG1 3.45Å; G176-I179 PolarHBondContact O-N 3.33Å
177	H	95.6	Very high	93	Very high	32 Å²	32	20.1 Å²	20.1	15%	0.148	11%	0.111	C	C	.	.	H	α-helix	trans	-72.9	-22	175.9	-57.8	137.9	0	0	0	112.6	R166 M173 H174 V175 I179 P180 F181	R166-H177 VanDerWaalsContact CZ-CE1 3.44Å; R166-H177 PolarHBondContact NH1-CD2 3.01Å; R166-H177 PolarHBondContact NH1-CE1 2.72Å; R166-H177 VanDerWaalsContact NH1-CE1 3.26Å; R166-H177 PolarHBondContact NH1-NE2 2.89Å; R166-H177 PolarHBondContact NH2-CE1 3.28Å; R166-H177 VanDerWaalsContact NH2-CE1 3.27Å; M173-H177 HydrophobicContact CB-CB 4.3Å; M173-H177 HydrophobicContact CE-CB 3.38Å; H174-H177 AromaticContact CD2-CE1 3.4Å; H174-H177 PolarHBondContact CD2-CE1 2.93Å; H174-H177 VanDerWaalsContact CD2-CE1 3.4Å; H174-H177 AromaticContact CD2-ND1 3.94Å; H174-H177 AromaticContact CE1-CD2 3.48Å; H174-H177 PolarHBondContact CE1-CD2 3Å; H174-H177 VanDerWaalsContact CE1-CD2 3.48Å; H174-H177 AromaticContact CE1-CE1 3.25Å; H174-H177 PolarHBondContact CE1-CE1 3.15Å; H174-H177 AromaticContact CE1-CG 3.76Å; H174-H177 AromaticContact CE1-ND1 3.66Å; H174-H177 AromaticContact CE1-NE2 3.16Å; H174-H177 PolarHBondContact CE1-NE2 3.22Å; H174-H177 AromaticContact CG-CE1 3.71Å; H174-H177 AromaticContact CG-ND1 3.77Å; H174-H177 PolarHBondContact N-ND1 2.95Å; H174-H177 AromaticContact ND1-CD2 3.97Å; H174-H177 AromaticContact ND1-CE1 3.61Å; H174-H177 AromaticContact ND1-CG 3.77Å; H174-H177 AromaticContact ND1-ND1 3.59Å; H174-H177 AromaticContact ND1-NE2 3.89Å; H174-H177 AromaticContact NE2-CE1 3.09Å; H174-H177 PolarHBondContact NE2-CE1 2.72Å; H174-H177 AromaticContact NE2-ND1 3.86Å; H174-H177 AromaticContact NE2-NE2 3.22Å; H174-H177 PolarHBondContact NE2-NE2 3.28Å; H174-H177 WeakPolarHBondContact O-CB 3.15Å; H174-H177 PolarHBondContact O-N 2.94Å; V175-H177 PolarHBondContact O-N 3.26Å; H177-I179 PolarHBondContact O-N 3.38Å; H177-P180 WeakPolarHBondContact O-CD 3.49Å; H177-P180 WeakPolarHBondContact O-CG 3.19Å; H177-F181 WeakPolarHBondContact O-CD2 3.29Å
178	L	97.3	Very high	93.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-23.1	177.5	-64.1	-179.3	0	0	0	112.3	V175 G176 F181 I182 L365 L445	V175-L178 WeakPolarHBondContact O-CB 3.4Å; V175-L178 PolarHBondContact O-N 3.19Å; G176-L178 VanDerWaalsContact C-N 3.28Å; G176-L178 PolarHBondContact O-N 3.24Å; L178-F181 PolarHBondContact O-N 2.78Å; L178-I182 HydrophobicContact CB-CD1 3.78Å; L178-I182 HydrophobicContact CB-CG1 4.21Å; L178-I182 VanDerWaalsContact O-CB 3.27Å; L178-I182 WeakPolarHBondContact O-CB 3.42Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.19Å; L178-I182 PolarHBondContact O-N 3.5Å; L178-L365 HydrophobicContact CD1-CD2 3.63Å; L178-L365 HydrophobicContact CD2-CD1 3.75Å; L178-L365 HydrophobicContact CD2-CD2 4.21Å; L178-L365 HydrophobicContact CG-CD1 4.23Å; L178-L365 HydrophobicContact CG-CD2 3.9Å; L178-L445 HydrophobicContact CD1-CD2 4.43Å
179	I	98.2	Very high	93.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-56.8	-174.9	-54.7	-48.3	0	0	0	112.4	F135 I140 F141 G176 H177 F181 F183 F344 F409 F410	F135-I179 HydrophobicContact CD2-CG2 4.49Å; F135-I179 HydrophobicContact CE2-CG2 4.06Å; F135-I179 WeakPolarHBondContact CE2-O 3.49Å; F135-I179 HydrophobicContact CZ-CD1 3.95Å; F135-I179 HydrophobicContact CZ-CG2 4.28Å; I140-I179 HydrophobicContact CG2-CG2 4.08Å; F141-I179 HydrophobicContact CE2-CG2 4.43Å; G176-I179 WeakPolarHBondContact O-CG1 3.45Å; G176-I179 PolarHBondContact O-N 3.33Å; H177-I179 PolarHBondContact O-N 3.38Å; I179-F181 PolarHBondContact O-N 3.31Å; I179-F183 PolarHBondContact O-N 2.82Å; I179-F344 HydrophobicContact CD1-CD2 4.1Å; I179-F344 HydrophobicContact CG1-CB 4.3Å; I179-F344 HydrophobicContact CG1-CD2 4.08Å; I179-F344 HydrophobicContact CG1-CG 4.45Å; I179-F409 HydrophobicContact CD1-CB 4.12Å; I179-F409 HydrophobicContact CD1-CD1 3.53Å; I179-F409 HydrophobicContact CD1-CE1 4.31Å; I179-F409 HydrophobicContact CD1-CG 4.12Å; I179-F409 HydrophobicContact CG1-CD1 3.98Å; I179-F409 HydrophobicContact CG1-CE1 4.26Å; I179-F409 HydrophobicContact CG2-CD1 4.27Å; I179-F409 HydrophobicContact CG2-CE1 4.27Å; I179-F410 HydrophobicContact CD1-CE1 3.91Å; I179-F410 HydrophobicContact CD1-CZ 3.67Å
180	P	97.9	Very high	94.8	Very high	22 Å²	22	23.3 Å²	23.3	14%	0.143	12%	0.123	C	C	.	.	H	α-helix	trans	-62.5	-41.5	175.1	23.5	-33.9	0	0	0	112.2	H177 F183 T184	H177-P180 WeakPolarHBondContact O-CD 3.49Å; H177-P180 WeakPolarHBondContact O-CG 3.19Å; P180-F183 PolarHBondContact O-N 2.87Å; P180-T184 WeakPolarHBondContact O-CB 3.49Å; P180-T184 PolarHBondContact O-N 3.14Å; P180-T184 PolarHBondContact O-OG1 3.07Å
181	F	98.7	Very high	95.7	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.013	11%	0.113	C	C	.	.	H	α-helix	trans	-69.8	-41.2	-175.9	-70.4	-64.1	0	0	0	114.3	T164 R166 M173 H177 L178 I179 F183 T184 K185 I197 I226 F231	T164-F181 HydrophobicContact CG2-CD1 4.2Å; T164-F181 HydrophobicContact CG2-CE1 3.78Å; R166-F181 HydrophobicContact CB-CE2 4.44Å; R166-F181 HydrophobicContact CB-CZ 3.99Å; M173-F181 HydrophobicContact CE-CD2 3.65Å; M173-F181 HydrophobicContact CE-CE2 3.56Å; H177-F181 WeakPolarHBondContact O-CD2 3.29Å; L178-F181 PolarHBondContact O-N 2.78Å; I179-F181 PolarHBondContact O-N 3.31Å; F181-F183 PolarHBondContact O-N 2.91Å; F181-T184 PolarHBondContact O-N 3.47Å; F181-K185 WeakPolarHBondContact O-CB 3.3Å; F181-K185 PolarHBondContact O-N 3.39Å; F181-I197 HydrophobicContact CE1-CD1 4.28Å; F181-I197 HydrophobicContact CE1-CG2 4.01Å; F181-I226 HydrophobicContact CD1-CG1 4.39Å; F181-I226 HydrophobicContact CD1-CG2 4.1Å; F181-I226 HydrophobicContact CD2-CG1 4.37Å; F181-I226 HydrophobicContact CE1-CD1 3.99Å; F181-I226 HydrophobicContact CE1-CG1 3.98Å; F181-I226 HydrophobicContact CE1-CG2 4.02Å; F181-I226 HydrophobicContact CE2-CD1 4.21Å; F181-I226 HydrophobicContact CE2-CG1 3.99Å; F181-I226 HydrophobicContact CZ-CD1 3.64Å; F181-I226 HydrophobicContact CZ-CG1 3.79Å; F181-F231 HydrophobicContact CB-CE2 4.29Å; F181-F231 HydrophobicContact CB-CZ 4.23Å; F181-F231 AromaticContact CD1-CE2 3.98Å; F181-F231 HydrophobicContact CD1-CE2 3.98Å; F181-F231 AromaticContact CD1-CZ 3.97Å; F181-F231 HydrophobicContact CD1-CZ 3.97Å; F181-F231 WeakPolarHBondContact O-CZ 3.48Å
182	I	98.8	Very high	96.7	Very high	35 Å²	35	19.3 Å²	19.3	18%	0.179	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-43.4	173.4	-72.9	170.4	0	0	0	109.7	F135 L178 K185 W186 F410	F135-I182 HydrophobicContact CE2-CB 4.26Å; F135-I182 HydrophobicContact CE2-CG2 4.01Å; F135-I182 HydrophobicContact CZ-CG2 4.33Å; L178-I182 HydrophobicContact CB-CD1 3.78Å; L178-I182 HydrophobicContact CB-CG1 4.21Å; L178-I182 VanDerWaalsContact O-CB 3.27Å; L178-I182 WeakPolarHBondContact O-CB 3.42Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.19Å; L178-I182 PolarHBondContact O-N 3.5Å; I182-K185 PolarHBondContact O-N 3.26Å; I182-W186 PolarHBondContact O-N 3.46Å; I182-F410 HydrophobicContact CD1-CE1 4.21Å
183	F	98.9	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.5	-43.3	-179.3	-166.9	-119.3	0	0	0	112.6	H133 F135 L136 F141 I179 P180 F181 K185 W186 L187 P312 L339	H133-F183 HydrophobicContact CB-CD2 4.1Å; H133-F183 HydrophobicContact CB-CE2 3.87Å; H133-F183 AromaticContact ND1-CD2 3.8Å; F135-F183 HydrophobicContact CB-CD2 4.29Å; F135-F183 HydrophobicContact CD2-CB 3.91Å; F135-F183 HydrophobicContact CD2-CD2 4.02Å; F135-F183 HydrophobicContact CD2-CG 4.24Å; F135-F183 HydrophobicContact CE2-CB 4.29Å; L136-F183 HydrophobicContact CD1-CE2 4.16Å; L136-F183 HydrophobicContact CD1-CZ 4.11Å; L136-F183 HydrophobicContact CD2-CE2 4.48Å; L136-F183 HydrophobicContact CD2-CZ 3.97Å; L136-F183 HydrophobicContact CG-CE2 3.9Å; L136-F183 HydrophobicContact CG-CZ 3.87Å; F141-F183 HydrophobicContact CB-CE1 4.24Å; F141-F183 HydrophobicContact CB-CZ 4.26Å; F141-F183 AromaticContact CD1-CD1 3.76Å; F141-F183 HydrophobicContact CD1-CD1 3.76Å; F141-F183 AromaticContact CD1-CE1 3.61Å; F141-F183 HydrophobicContact CD1-CE1 3.61Å; F141-F183 HydrophobicContact CD1-CZ 4.44Å; F141-F183 HydrophobicContact CD2-CB 4.14Å; F141-F183 AromaticContact CD2-CD1 3.54Å; F141-F183 HydrophobicContact CD2-CD1 3.54Å; F141-F183 HydrophobicContact CD2-CD2 4.08Å; F141-F183 AromaticContact CD2-CE1 3.86Å; F141-F183 HydrophobicContact CD2-CE1 3.86Å; F141-F183 HydrophobicContact CD2-CE2 4.39Å; F141-F183 AromaticContact CD2-CG 3.64Å; F141-F183 HydrophobicContact CD2-CG 3.64Å; F141-F183 HydrophobicContact CD2-CZ 4.28Å; F141-F183 AromaticContact CE1-CD1 3.51Å; F141-F183 HydrophobicContact CE1-CD1 3.51Å; F141-F183 AromaticContact CE1-CE1 3.8Å; F141-F183 HydrophobicContact CE1-CE1 3.8Å; F141-F183 HydrophobicContact CE1-CG 4.42Å; F141-F183 HydrophobicContact CE2-CB 3.43Å; F141-F183 VanDerWaalsContact CE2-CB 3.43Å; F141-F183 AromaticContact CE2-CD1 3.3Å; F141-F183 HydrophobicContact CE2-CD1 3.3Å; F141-F183 HydrophobicContact CE2-CD2 4.23Å; F141-F183 HydrophobicContact CE2-CE1 4.06Å; F141-F183 AromaticContact CE2-CG 3.38Å; F141-F183 HydrophobicContact CE2-CG 3.38Å; F141-F183 AromaticContact CG-CD1 3.76Å; F141-F183 HydrophobicContact CG-CD1 3.76Å; F141-F183 AromaticContact CG-CE1 3.61Å; F141-F183 HydrophobicContact CG-CE1 3.61Å; F141-F183 HydrophobicContact CG-CG 4.27Å; F141-F183 HydrophobicContact CG-CZ 4.06Å; F141-F183 HydrophobicContact CZ-CB 3.86Å; F141-F183 AromaticContact CZ-CD1 3.27Å; F141-F183 HydrophobicContact CZ-CD1 3.27Å; F141-F183 HydrophobicContact CZ-CE1 4.02Å; F141-F183 AromaticContact CZ-CG 3.8Å; F141-F183 HydrophobicContact CZ-CG 3.8Å; I179-F183 PolarHBondContact O-N 2.82Å; P180-F183 PolarHBondContact O-N 2.87Å; F181-F183 PolarHBondContact O-N 2.91Å; F183-K185 VanDerWaalsContact C-N 3.29Å; F183-K185 PolarHBondContact O-N 3.37Å; F183-W186 HydrophobicContact CD2-CE3 4.02Å; F183-W186 AromaticContact CE2-CE3 3.61Å; F183-W186 HydrophobicContact CE2-CE3 3.61Å; F183-W186 AromaticContact CE2-CZ3 3.74Å; F183-W186 HydrophobicContact CE2-CZ3 3.74Å; F183-W186 HydrophobicContact CZ-CE3 4.29Å; F183-W186 HydrophobicContact CZ-CZ3 4.13Å; F183-W186 WeakPolarHBondContact O-CB 3.45Å; F183-W186 PolarHBondContact O-N 3.16Å; F183-W186 VanDerWaalsContact O-N 3.17Å; F183-L187 HydrophobicContact CD1-CD1 3.82Å; F183-L187 HydrophobicContact CD1-CG 4.3Å; F183-L187 HydrophobicContact CE1-CD1 3.67Å; F183-L187 HydrophobicContact CE1-CD2 4.38Å; F183-L187 HydrophobicContact CE1-CG 4.11Å; F183-L187 HydrophobicContact CZ-CD1 4.34Å; F183-L187 HydrophobicContact CZ-CD2 4.25Å; F183-L187 HydrophobicContact CZ-CG 4.31Å; F183-L187 WeakPolarHBondContact O-CG 3.37Å; F183-L187 PolarHBondContact O-N 3.41Å; F183-P312 HydrophobicContact CD1-CB 4.26Å; F183-L339 HydrophobicContact CE1-CB 4.35Å; F183-L339 HydrophobicContact CE1-CD1 3.83Å; F183-L339 HydrophobicContact CZ-CD1 4.3Å
184	T	98.9	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-38.6	175.5	-59.2	0	0	0	0	111.3	L162 T164 P180 F181 L187 Q188 L195 F231 P312	L162-T184 HydrophobicContact CB-CG2 4.49Å; L162-T184 HydrophobicContact CD1-CG2 4.25Å; T164-T184 HydrophobicContact CG2-CG2 4.04Å; P180-T184 WeakPolarHBondContact O-CB 3.49Å; P180-T184 PolarHBondContact O-N 3.14Å; P180-T184 PolarHBondContact O-OG1 3.07Å; F181-T184 PolarHBondContact O-N 3.47Å; T184-L187 PolarHBondContact O-N 3.44Å; T184-Q188 WeakPolarHBondContact O-CB 3.45Å; T184-Q188 PolarHBondContact O-N 2.78Å; T184-L195 HydrophobicContact CG2-CD1 3.56Å; T184-L195 HydrophobicContact CG2-CD2 3.79Å; T184-L195 HydrophobicContact CG2-CG 4.35Å; T184-F231 HydrophobicContact CG2-CE1 4.06Å; T184-F231 HydrophobicContact CG2-CZ 4.41Å; T184-P312 HydrophobicContact CG2-CG 4.41Å; T184-P312 WeakPolarHBondContact OG1-CB 3.46Å; T184-P312 WeakPolarHBondContact OG1-CG 3.19Å
185	K	98.9	Very high	98.2	Very high	49 Å²	49	18.8 Å²	18.8	21%	0.213	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-52.6	172.4	-162.3	-38.9	-177	102.3	0	109.6	F181 I182 F183 L187 Q188 D189 G230 F231	F181-K185 WeakPolarHBondContact O-CB 3.3Å; F181-K185 PolarHBondContact O-N 3.39Å; I182-K185 PolarHBondContact O-N 3.26Å; F183-K185 VanDerWaalsContact C-N 3.29Å; F183-K185 PolarHBondContact O-N 3.37Å; K185-L187 VanDerWaalsContact C-N 3.27Å; K185-L187 PolarHBondContact O-N 3.12Å; K185-Q188 WeakPolarHBondContact O-CB 3.27Å; K185-Q188 PolarHBondContact O-N 2.89Å; K185-D189 VanDerWaalsContact CD-CG 3.43Å; K185-D189 VanDerWaalsContact CD-OD1 3.28Å; K185-D189 WeakPolarHBondContact CD-OD1 3.12Å; K185-D189 WeakPolarHBondContact CD-OD2 3.44Å; K185-D189 VanDerWaalsContact CE-CG 3.41Å; K185-D189 WeakPolarHBondContact CE-OD1 3.35Å; K185-D189 WeakPolarHBondContact CE-OD2 3.31Å; K185-D189 IonicContact NZ-OD1 3.46Å; K185-D189 PolarHBondContact NZ-OD1 2.77Å; K185-D189 IonicContact NZ-OD2 2.92Å; K185-D189 PolarHBondContact NZ-OD2 3.47Å; K185-D189 PolarHBondContact O-N 3.03Å; K185-G230 WeakPolarHBondContact CE-O 3.14Å; K185-F231 VanDerWaalsContact CA-CE1 3.45Å; K185-F231 HydrophobicContact CB-CD1 4.12Å; K185-F231 HydrophobicContact CB-CE1 3.69Å; K185-F231 HydrophobicContact CB-CZ 4.05Å; K185-F231 HydrophobicContact CG-CD1 4.12Å; K185-F231 HydrophobicContact CG-CE1 4.2Å
186	W	98.9	Very high	98.3	Very high	35 Å²	35	18.8 Å²	18.8	13%	0.133	10%	0.099	C	C	.	.	H	α-helix	trans	-55.9	-42.7	178.2	176	81.2	0	0	0	112	I124 H133 L136 I182 F183 D189 V190	I124-W186 HydrophobicContact CG2-CH2 4.01Å; H133-W186 HydrophobicContact CB-CD2 3.59Å; H133-W186 HydrophobicContact CB-CE3 3.77Å; H133-W186 HydrophobicContact CB-CG 4.09Å; H133-W186 HydrophobicContact CB-CH2 4.15Å; H133-W186 HydrophobicContact CB-CZ2 3.98Å; H133-W186 HydrophobicContact CB-CZ3 4.04Å; H133-W186 AromaticContact CD2-CD1 3.71Å; H133-W186 AromaticContact CD2-CG 3.58Å; H133-W186 VanDerWaalsContact N-CZ2 3.28Å; L136-W186 HydrophobicContact CD1-CH2 3.88Å; L136-W186 HydrophobicContact CD1-CZ3 3.91Å; I182-W186 PolarHBondContact O-N 3.46Å; F183-W186 HydrophobicContact CD2-CE3 4.02Å; F183-W186 AromaticContact CE2-CE3 3.61Å; F183-W186 HydrophobicContact CE2-CE3 3.61Å; F183-W186 AromaticContact CE2-CZ3 3.74Å; F183-W186 HydrophobicContact CE2-CZ3 3.74Å; F183-W186 HydrophobicContact CZ-CE3 4.29Å; F183-W186 HydrophobicContact CZ-CZ3 4.13Å; F183-W186 WeakPolarHBondContact O-CB 3.45Å; F183-W186 PolarHBondContact O-N 3.16Å; F183-W186 VanDerWaalsContact O-N 3.17Å; W186-D189 PolarHBondContact O-N 3.22Å; W186-V190 HydrophobicContact CD2-CG1 4.18Å; W186-V190 HydrophobicContact CD2-CG2 4.22Å; W186-V190 HydrophobicContact CE3-CG2 4.27Å; W186-V190 HydrophobicContact CG-CG1 4.37Å; W186-V190 HydrophobicContact CH2-CG2 4.11Å; W186-V190 HydrophobicContact CZ2-CG1 4Å; W186-V190 HydrophobicContact CZ2-CG2 4.04Å; W186-V190 HydrophobicContact CZ3-CG2 4.23Å; W186-V190 WeakPolarHBondContact O-CG1 3.42Å; W186-V190 VanDerWaalsContact O-CG2 3.31Å; W186-V190 WeakPolarHBondContact O-CG2 3.27Å; W186-V190 PolarHBondContact O-N 3.45Å
187	L	98.9	Very high	98.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-44.8	174.4	-70.9	171.8	0	0	0	112.1	L162 F183 T184 K185 D189 F191 L310 P312 L339	L162-L187 HydrophobicContact CD1-CB 3.79Å; L162-L187 HydrophobicContact CD2-CB 4.14Å; L162-L187 HydrophobicContact CD2-CD1 4.08Å; F183-L187 HydrophobicContact CD1-CD1 3.82Å; F183-L187 HydrophobicContact CD1-CG 4.3Å; F183-L187 HydrophobicContact CE1-CD1 3.67Å; F183-L187 HydrophobicContact CE1-CD2 4.38Å; F183-L187 HydrophobicContact CE1-CG 4.11Å; F183-L187 HydrophobicContact CZ-CD1 4.34Å; F183-L187 HydrophobicContact CZ-CD2 4.25Å; F183-L187 HydrophobicContact CZ-CG 4.31Å; F183-L187 WeakPolarHBondContact O-CG 3.37Å; F183-L187 PolarHBondContact O-N 3.41Å; T184-L187 PolarHBondContact O-N 3.44Å; K185-L187 VanDerWaalsContact C-N 3.27Å; K185-L187 PolarHBondContact O-N 3.12Å; L187-D189 VanDerWaalsContact C-N 3.3Å; L187-D189 PolarHBondContact O-N 2.92Å; L187-F191 HydrophobicContact CD2-CD2 3.93Å; L187-F191 HydrophobicContact CD2-CE2 3.67Å; L187-F191 WeakPolarHBondContact O-CB 3.49Å; L187-F191 PolarHBondContact O-N 3.26Å; L187-L310 HydrophobicContact CD1-CD2 4.45Å; L187-P312 HydrophobicContact CD1-CB 4.13Å; L187-P312 HydrophobicContact CD1-CG 3.52Å; L187-L339 HydrophobicContact CD1-CD1 4.08Å; L187-L339 HydrophobicContact CD2-CD1 4.4Å
188	Q	98.9	Very high	98.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-58.4	-43.5	176.1	176.6	177	77.1	0	0	111	L162 T184 K185 N192 K235 T236	L162-Q188 HydrophobicContact CD1-CB 4.03Å; T184-Q188 WeakPolarHBondContact O-CB 3.45Å; T184-Q188 PolarHBondContact O-N 2.78Å; K185-Q188 WeakPolarHBondContact O-CB 3.27Å; K185-Q188 PolarHBondContact O-N 2.89Å; Q188-N192 WeakPolarHBondContact O-CA 3.34Å; Q188-N192 PolarHBondContact O-N 2.84Å; Q188-K235 PolarHBondContact NE2-O 3.29Å; Q188-T236 PolarHBondContact NE2-OG1 2.82Å
189	D	98.8	Very high	98.8	Very high	84 Å²	84	16.5 Å²	16.5	45%	0.449	9%	0.085	S	C	.	.	H	α-helix	trans	-65.3	-53.2	179.5	-70.6	-15.6	0	0	0	111.9	K185 W186 L187	K185-D189 VanDerWaalsContact CD-CG 3.43Å; K185-D189 VanDerWaalsContact CD-OD1 3.28Å; K185-D189 WeakPolarHBondContact CD-OD1 3.12Å; K185-D189 WeakPolarHBondContact CD-OD2 3.44Å; K185-D189 VanDerWaalsContact CE-CG 3.41Å; K185-D189 WeakPolarHBondContact CE-OD1 3.35Å; K185-D189 WeakPolarHBondContact CE-OD2 3.31Å; K185-D189 IonicContact NZ-OD1 3.46Å; K185-D189 PolarHBondContact NZ-OD1 2.77Å; K185-D189 IonicContact NZ-OD2 2.92Å; K185-D189 PolarHBondContact NZ-OD2 3.47Å; K185-D189 PolarHBondContact O-N 3.03Å; W186-D189 PolarHBondContact O-N 3.22Å; L187-D189 VanDerWaalsContact C-N 3.3Å; L187-D189 PolarHBondContact O-N 2.92Å
190	V	98.8	Very high	98.8	Very high	18 Å²	18	16.6 Å²	16.6	11%	0.109	9%	0.086	C	C	.	.	H	α-helix	trans	-77.5	-28.3	-169.7	-57.5	0	0	0	0	113.4	T128 Q130 W186	T128-V190 HydrophobicContact CG2-CB 3.99Å; T128-V190 HydrophobicContact CG2-CG2 3.76Å; Q130-V190 HydrophobicContact CB-CB 4.41Å; Q130-V190 HydrophobicContact CB-CG1 3.94Å; Q130-V190 HydrophobicContact CG-CB 4.23Å; Q130-V190 HydrophobicContact CG-CG1 3.89Å; W186-V190 HydrophobicContact CD2-CG1 4.18Å; W186-V190 HydrophobicContact CD2-CG2 4.22Å; W186-V190 HydrophobicContact CE3-CG2 4.27Å; W186-V190 HydrophobicContact CG-CG1 4.37Å; W186-V190 HydrophobicContact CH2-CG2 4.11Å; W186-V190 HydrophobicContact CZ2-CG1 4Å; W186-V190 HydrophobicContact CZ2-CG2 4.04Å; W186-V190 HydrophobicContact CZ3-CG2 4.23Å; W186-V190 WeakPolarHBondContact O-CG1 3.42Å; W186-V190 VanDerWaalsContact O-CG2 3.31Å; W186-V190 WeakPolarHBondContact O-CG2 3.27Å; W186-V190 PolarHBondContact O-N 3.45Å
191	F	98.8	Very high	98.8	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-94.3	-18.8	174.6	-72.3	-76.3	0	0	0	113	I124 T128 M147 L151 Y154 F160 L187 V193	I124-F191 HydrophobicContact CG2-CZ 4.23Å; T128-F191 HydrophobicContact CG2-CD1 3.94Å; T128-F191 HydrophobicContact CG2-CD2 4.28Å; T128-F191 HydrophobicContact CG2-CE1 3.61Å; T128-F191 HydrophobicContact CG2-CE2 3.97Å; T128-F191 HydrophobicContact CG2-CG 4.26Å; T128-F191 HydrophobicContact CG2-CZ 3.62Å; M147-F191 HydrophobicContact CE-CE2 4.44Å; M147-F191 HydrophobicContact CE-CZ 4.15Å; L151-F191 HydrophobicContact CD2-CE1 3.98Å; L151-F191 HydrophobicContact CD2-CZ 3.98Å; Y154-F191 AromaticContact CD1-CD1 3.85Å; Y154-F191 HydrophobicContact CD1-CD1 3.85Å; Y154-F191 AromaticContact CD1-CE1 3.92Å; Y154-F191 HydrophobicContact CD1-CE1 3.92Å; Y154-F191 AromaticContact CD2-CD1 3.91Å; Y154-F191 HydrophobicContact CD2-CD1 3.91Å; Y154-F191 AromaticContact CE1-CD1 3.77Å; Y154-F191 HydrophobicContact CE1-CD1 3.77Å; Y154-F191 HydrophobicContact CE1-CE1 4.09Å; Y154-F191 HydrophobicContact CE2-CB 4.27Å; Y154-F191 AromaticContact CE2-CD1 3.82Å; Y154-F191 HydrophobicContact CE2-CD1 3.82Å; Y154-F191 VanDerWaalsContact CE2-O 3.31Å; Y154-F191 WeakPolarHBondContact CE2-O 3.28Å; Y154-F191 AromaticContact CG-CD1 3.91Å; Y154-F191 HydrophobicContact CG-CD1 3.91Å; Y154-F191 HydrophobicContact CG-CE1 4.2Å; Y154-F191 AromaticContact CZ-CD1 3.74Å; Y154-F191 PolarHBondContact OH-O 2.84Å; F160-F191 HydrophobicContact CE1-CB 4.04Å; F160-F191 AromaticContact CE1-CD1 3.86Å; F160-F191 HydrophobicContact CE1-CD1 3.86Å; F160-F191 HydrophobicContact CE1-CG 4.06Å; F160-F191 HydrophobicContact CZ-CB 3.61Å; F160-F191 AromaticContact CZ-CD1 3.8Å; F160-F191 HydrophobicContact CZ-CD1 3.8Å; F160-F191 HydrophobicContact CZ-CD2 4.08Å; F160-F191 HydrophobicContact CZ-CE1 4.49Å; F160-F191 AromaticContact CZ-CG 3.57Å; F160-F191 HydrophobicContact CZ-CG 3.57Å; L187-F191 HydrophobicContact CD2-CD2 3.93Å; L187-F191 HydrophobicContact CD2-CE2 3.67Å; L187-F191 WeakPolarHBondContact O-CB 3.49Å; L187-F191 PolarHBondContact O-N 3.26Å; F191-V193 HydrophobicContact CB-CG1 4.03Å; F191-V193 HydrophobicContact CB-CG2 4.1Å
192	N	98.6	Very high	98.8	Very high	82 Å²	82	16.1 Å²	16.1	44%	0.439	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	66	-174.9	-174.5	50.5	0	0	0	112.1	Q188 K235 F472	Q188-N192 WeakPolarHBondContact O-CA 3.34Å; Q188-N192 PolarHBondContact O-N 2.84Å; N192-K235 WeakPolarHBondContact OD1-CE 3.3Å; N192-K235 PolarHBondContact OD1-NZ 3.32Å; N192-F472 WeakPolarHBondContact O-CE1 3.33Å; N192-F472 WeakPolarHBondContact O-CZ 3.46Å
193	V	98.8	Very high	98.8	Very high	8 Å²	8	15.1 Å²	15.1	5%	0.048	8%	0.077	C	C	.	.			trans	-128.8	155.3	-174.6	-70.1	0	0	0	0	112.1	F160 L162 F191 F472	F160-V193 HydrophobicContact CD1-CG1 3.95Å; F160-V193 HydrophobicContact CD2-CG1 4.36Å; F160-V193 HydrophobicContact CE1-CG1 3.64Å; F160-V193 HydrophobicContact CE2-CB 4.41Å; F160-V193 HydrophobicContact CE2-CG1 4.07Å; F160-V193 HydrophobicContact CE2-CG2 3.92Å; F160-V193 HydrophobicContact CG-CG1 4.3Å; F160-V193 HydrophobicContact CZ-CB 4.44Å; F160-V193 HydrophobicContact CZ-CG1 3.71Å; F160-V193 HydrophobicContact CZ-CG2 4.05Å; F160-V193 WeakPolarHBondContact O-CG1 3.09Å; L162-V193 HydrophobicContact CD1-CG2 3.71Å; L162-V193 HydrophobicContact CG-CG2 3.77Å; F191-V193 HydrophobicContact CB-CG1 4.03Å; F191-V193 HydrophobicContact CB-CG2 4.1Å; V193-F472 VanDerWaalsContact C-CZ 3.47Å
194	P	98.8	Very high	98.6	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.019	8%	0.083	C	C	.	.			trans	-66.7	154.2	172.8	30.3	-38.4	0	0	0	111.6	Y161 L162 K235 F301 L470 F472 F474	Y161-P194 WeakPolarHBondContact CA-O 3.27Å; L162-P194 PolarHBondContact N-O 3.15Å; P194-K235 CarbonylContact C-O 3.6Å; P194-K235 WeakPolarHBondContact CA-O 3.5Å; P194-F301 HydrophobicContact CB-CZ 4.35Å; P194-F301 HydrophobicContact CG-CE1 3.85Å; P194-F301 HydrophobicContact CG-CZ 3.96Å; P194-L470 HydrophobicContact CB-CD1 3.73Å; P194-F472 HydrophobicContact CB-CD2 3.85Å; P194-F472 HydrophobicContact CB-CE2 3.84Å; P194-F472 HydrophobicContact CG-CD2 4.18Å; P194-F472 HydrophobicContact CG-CE2 4.27Å; P194-F472 VanDerWaalsContact N-CE2 3.31Å; P194-F474 HydrophobicContact CG-CZ 3.84Å
195	L	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.9	-179.4	170.9	61.7	0	0	0	110.3	L162 T164 T184 I197 F231 K235 T236 F237	L162-L195 HydrophobicContact CB-CB 4.28Å; L162-L195 HydrophobicContact CB-CD1 3.51Å; L162-L195 HydrophobicContact CB-CG 4.47Å; L162-L195 WeakPolarHBondContact O-CA 3.43Å; T164-L195 HydrophobicContact CG2-CD1 4.35Å; T184-L195 HydrophobicContact CG2-CD1 3.56Å; T184-L195 HydrophobicContact CG2-CD2 3.79Å; T184-L195 HydrophobicContact CG2-CG 4.35Å; L195-I197 HydrophobicContact CD1-CG1 4.07Å; L195-I197 HydrophobicContact CD2-CD1 3.85Å; L195-I197 HydrophobicContact CD2-CG1 3.99Å; L195-I197 HydrophobicContact CG-CD1 4.26Å; L195-I197 HydrophobicContact CG-CG1 3.83Å; L195-F231 HydrophobicContact CD2-CD1 3.34Å; L195-F231 HydrophobicContact CD2-CE1 3.27Å; L195-F231 HydrophobicContact CD2-CG 4.19Å; L195-F231 HydrophobicContact CD2-CZ 4.1Å; L195-K235 PolarHBondContact N-O 2.82Å; L195-T236 HydrophobicContact CB-CG2 4.39Å; L195-T236 HydrophobicContact CD2-CG2 3.97Å; L195-T236 HydrophobicContact CG-CG2 4.13Å; L195-T236 WeakPolarHBondContact O-CA 3.35Å; L195-F237 PolarHBondContact O-N 2.94Å
196	V	98.9	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.8	165.8	-58.9	0	0	0	0	110.3	Y161 L162 Y163 T164 F237 F239 F297 I300	Y161-V196 HydrophobicContact CD2-CG2 4.04Å; Y161-V196 HydrophobicContact CE2-CG2 3.78Å; L162-V196 PolarHBondContact O-N 2.94Å; Y163-V196 WeakPolarHBondContact CA-O 3.48Å; Y163-V196 HydrophobicContact CD2-CG2 4Å; Y163-V196 HydrophobicContact CG-CG2 4.18Å; T164-V196 PolarHBondContact N-O 3.36Å; V196-F237 CarbonylContact C-O 3.5Å; V196-F237 VanDerWaalsContact CA-O 3.26Å; V196-F237 WeakPolarHBondContact CA-O 3.46Å; V196-F237 HydrophobicContact CG1-CB 4.45Å; V196-F237 HydrophobicContact CG1-CD1 4.27Å; V196-F239 HydrophobicContact CB-CE1 4.3Å; V196-F297 HydrophobicContact CB-CE1 4.3Å; V196-F297 HydrophobicContact CB-CE2 4.24Å; V196-F297 HydrophobicContact CB-CZ 3.99Å; V196-F297 HydrophobicContact CG1-CD1 4.2Å; V196-F297 HydrophobicContact CG1-CD2 4.1Å; V196-F297 HydrophobicContact CG1-CE1 4.17Å; V196-F297 HydrophobicContact CG1-CE2 4.05Å; V196-F297 HydrophobicContact CG1-CG 4.18Å; V196-F297 HydrophobicContact CG1-CZ 4.09Å; V196-F297 HydrophobicContact CG2-CE2 3.8Å; V196-F297 HydrophobicContact CG2-CZ 3.83Å; V196-I300 HydrophobicContact CG1-CD1 3.93Å
197	I	98.9	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.4	178.9	-52.3	-177.6	0	0	0	109.4	T164 F181 L195 M199 I226 F231 T236 F237 I238 F239	T164-I197 HydrophobicContact CG2-CG1 4.12Å; T164-I197 HydrophobicContact CG2-CG2 4.37Å; T164-I197 VanDerWaalsContact O-CA 3.29Å; T164-I197 WeakPolarHBondContact O-CA 3.5Å; F181-I197 HydrophobicContact CE1-CD1 4.28Å; F181-I197 HydrophobicContact CE1-CG2 4.01Å; L195-I197 HydrophobicContact CD1-CG1 4.07Å; L195-I197 HydrophobicContact CD2-CD1 3.85Å; L195-I197 HydrophobicContact CD2-CG1 3.99Å; L195-I197 HydrophobicContact CG-CD1 4.26Å; L195-I197 HydrophobicContact CG-CG1 3.83Å; I197-M199 HydrophobicContact CG2-SD 4.26Å; I197-I226 HydrophobicContact CD1-CG2 3.49Å; I197-I226 VanDerWaalsContact CD1-CG2 3.49Å; I197-I226 HydrophobicContact CG2-CD1 4.21Å; I197-F231 HydrophobicContact CD1-CD2 4.32Å; I197-F231 HydrophobicContact CD1-CE2 4.15Å; I197-F231 HydrophobicContact CD1-CZ 4.36Å; I197-T236 HydrophobicContact CD1-CG2 4.07Å; I197-T236 HydrophobicContact CG1-CG2 4.39Å; I197-F237 PolarHBondContact N-O 2.74Å; I197-I238 HydrophobicContact CB-CB 4.45Å; I197-I238 HydrophobicContact CB-CG1 4.15Å; I197-I238 HydrophobicContact CB-CG2 4.31Å; I197-I238 HydrophobicContact CD1-CD1 4.4Å; I197-I238 HydrophobicContact CD1-CG1 4.16Å; I197-I238 HydrophobicContact CG1-CG1 4.42Å; I197-I238 HydrophobicContact CG2-CG2 4.5Å; I197-I238 CarbonylContact O-C 3.51Å; I197-I238 WeakPolarHBondContact O-CA 3.39Å; I197-F239 WeakPolarHBondContact O-CD1 3.39Å; I197-F239 PolarHBondContact O-N 3.25Å
198	Q	98.9	Very high	98	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.3	177.4	-173.9	176.8	36.9	0	0	110.9	Y163 T164 G165 R166 T200 F239 D241 I287 P291	Y163-Q198 HydrophobicContact CE2-CB 3.83Å; Y163-Q198 PolarHBondContact OH-OE1 3.34Å; T164-Q198 PolarHBondContact O-N 2.93Å; G165-Q198 CarbonylContact C-O 3.36Å; G165-Q198 WeakPolarHBondContact CA-O 3.17Å; R166-Q198 PolarHBondContact N-O 2.87Å; Q198-T200 HydrophobicContact CG-CG2 3.73Å; Q198-F239 HydrophobicContact CB-CE1 3.95Å; Q198-F239 HydrophobicContact CB-CE2 4.05Å; Q198-F239 HydrophobicContact CB-CZ 3.49Å; Q198-F239 VanDerWaalsContact CB-CZ 3.49Å; Q198-F239 HydrophobicContact CG-CE2 3.71Å; Q198-F239 HydrophobicContact CG-CZ 3.65Å; Q198-D241 VanDerWaalsContact CD-OD2 3.3Å; Q198-D241 WeakPolarHBondContact CG-OD1 3.26Å; Q198-D241 VanDerWaalsContact CG-OD2 3.29Å; Q198-D241 WeakPolarHBondContact CG-OD2 3.33Å; Q198-D241 PolarHBondContact NE2-OD1 3.08Å; Q198-D241 PolarHBondContact NE2-OD2 3.14Å; Q198-I287 PolarHBondContact NE2-O 3.44Å; Q198-P291 HydrophobicContact CB-CG 4.48Å
199	M	98.8	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	102.7	169.9	-54.4	-57.3	-62.2	0	0	108.4	R166 P168 I197 D201 A219 N222 I226 I238 F239 D241	R166-M199 HydrophobicContact CB-CE 3.93Å; R166-M199 HydrophobicContact CB-SD 3.96Å; R166-M199 HydrophobicContact CG-CE 3.77Å; R166-M199 HydrophobicContact CG-SD 4.46Å; R166-M199 WeakPolarHBondContact O-CA 3.23Å; P168-M199 HydrophobicContact CB-CE 4.36Å; I197-M199 HydrophobicContact CG2-SD 4.26Å; M199-D201 PolarHBondContact O-N 3.42Å; M199-A219 HydrophobicContact CB-CB 3.91Å; M199-N222 HydrophobicContact CE-CB 3.57Å; M199-I226 HydrophobicContact CE-CD1 3.94Å; M199-I226 HydrophobicContact SD-CD1 3.53Å; M199-I226 VanDerWaalsContact SD-CD1 3.53Å; M199-I238 HydrophobicContact CG-CG2 3.67Å; M199-I238 HydrophobicContact SD-CG2 4.06Å; M199-F239 WeakPolarHBondContact CA-O 3.45Å; M199-F239 VanDerWaalsContact CB-O 3.28Å; M199-F239 WeakPolarHBondContact CB-O 3.29Å; M199-F239 PolarHBondContact N-O 3.08Å; M199-D241 PolarHBondContact O-N 2.89Å; M199-D241 VanDerWaalsContact O-N 3.08Å
200	T	98.5	Very high	97.4	Very high	4 Å²	4	31 Å²	31	3%	0.025	15%	0.15	C	C	.	.			trans	-83.1	60.7	-172.3	59.8	0	0	0	0	111.5	R166 G167 Q198 D202 E203 K204 D241 F284	R166-T200 PolarHBondContact O-N 3.46Å; R166-T200 VanDerWaalsContact O-N 3.09Å; G167-T200 WeakPolarHBondContact CA-OG1 3.29Å; Q198-T200 HydrophobicContact CG-CG2 3.73Å; T200-D202 VanDerWaalsContact C-N 3.31Å; T200-E203 WeakPolarHBondContact CB-OE2 3.15Å; T200-E203 WeakPolarHBondContact O-CB 3.27Å; T200-E203 PolarHBondContact O-N 2.86Å; T200-E203 PolarHBondContact OG1-OE2 3.21Å; T200-K204 PolarHBondContact O-N 3.36Å; T200-K204 VanDerWaalsContact O-N 3.15Å; T200-D241 WeakPolarHBondContact CA-OD2 3.32Å; T200-D241 WeakPolarHBondContact CG2-OD2 3.18Å; T200-F284 HydrophobicContact CG2-CE2 4.29Å; T200-F284 HydrophobicContact CG2-CZ 3.88Å
201	D	98.5	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-31.2	176.4	47.7	5.1	0	0	0	113	P168 M199 K204 Y205 A215 A219 S240 D241 L242	P168-D201 HydrophobicContact CG-CB 4.21Å; M199-D201 PolarHBondContact O-N 3.42Å; D201-K204 PolarHBondContact O-N 3.01Å; D201-Y205 WeakPolarHBondContact O-CB 3.49Å; D201-Y205 PolarHBondContact O-N 3.27Å; D201-A215 HydrophobicContact CB-CB 4.02Å; D201-A215 WeakPolarHBondContact CB-O 3.46Å; D201-A215 WeakPolarHBondContact O-CB 3.15Å; D201-A219 HydrophobicContact CB-CB 4.09Å; D201-S240 VanDerWaalsContact CG-OG 3.25Å; D201-S240 PolarHBondContact OD1-OG 3.22Å; D201-S240 VanDerWaalsContact OD2-CB 3.23Å; D201-S240 WeakPolarHBondContact OD2-CB 3.35Å; D201-S240 PolarHBondContact OD2-OG 3.49Å; D201-D241 PolarHBondContact OD1-N 3.48Å; D201-D241 VanDerWaalsContact OD1-N 3.14Å; D201-L242 HydrophobicContact CB-CD1 4.12Å; D201-L242 HydrophobicContact CB-CG 4.48Å; D201-L242 WeakPolarHBondContact OD1-CG 3.44Å; D201-L242 PolarHBondContact OD1-N 2.94Å
202	D	98.6	Very high	97.3	Very high	14 Å²	14	37.5 Å²	37.5	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-41.8	169.4	66.7	-17.4	0	0	0	112.5	T200 K204 Y205 L206 D241 L242 I287	T200-D202 VanDerWaalsContact C-N 3.31Å; D202-K204 VanDerWaalsContact C-N 3.34Å; D202-K204 PolarHBondContact O-N 3.49Å; D202-Y205 PolarHBondContact O-N 3.34Å; D202-L206 WeakPolarHBondContact O-CB 3.08Å; D202-L206 WeakPolarHBondContact O-CG 3.44Å; D202-L206 PolarHBondContact O-N 3.2Å; D202-D241 HydrophobicContact CB-CB 4.25Å; D202-D241 VanDerWaalsContact CG-CB 3.44Å; D202-D241 WeakPolarHBondContact OD1-CB 3.38Å; D202-L242 HydrophobicContact CB-CD2 3.78Å; D202-L242 HydrophobicContact CB-CG 4.08Å; D202-I287 VanDerWaalsContact OD2-CD1 3.29Å; D202-I287 WeakPolarHBondContact OD2-CD1 3.48Å
203	E	98.3	Very high	97.3	Very high	15 Å²	15	40 Å²	40	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-48	170.8	-169.8	-152.6	141.8	0	0	110.3	T200 Y205 L206 W207 F284	T200-E203 WeakPolarHBondContact CB-OE2 3.15Å; T200-E203 WeakPolarHBondContact O-CB 3.27Å; T200-E203 PolarHBondContact O-N 2.86Å; T200-E203 PolarHBondContact OG1-OE2 3.21Å; E203-Y205 VanDerWaalsContact C-N 3.32Å; E203-Y205 PolarHBondContact O-N 3.46Å; E203-L206 PolarHBondContact O-N 3.44Å; E203-L206 VanDerWaalsContact O-N 3.1Å; E203-W207 HydrophobicContact CG-CD2 4.38Å; E203-W207 HydrophobicContact CG-CE3 3.73Å; E203-W207 HydrophobicContact CG-CZ3 3.85Å; E203-W207 VanDerWaalsContact O-CE3 3.24Å; E203-W207 PolarHBondContact O-N 3.47Å; E203-F284 HydrophobicContact CB-CD2 4.05Å; E203-F284 HydrophobicContact CB-CE1 4.07Å; E203-F284 HydrophobicContact CB-CE2 3.49Å; E203-F284 VanDerWaalsContact CB-CE2 3.49Å; E203-F284 HydrophobicContact CB-CZ 3.5Å; E203-F284 VanDerWaalsContact CB-CZ 3.5Å; E203-F284 HydrophobicContact CG-CD1 4.09Å; E203-F284 HydrophobicContact CG-CD2 4.41Å; E203-F284 HydrophobicContact CG-CE1 3.63Å; E203-F284 HydrophobicContact CG-CE2 4.01Å; E203-F284 HydrophobicContact CG-CG 4.46Å; E203-F284 HydrophobicContact CG-CZ 3.59Å
204	K	96	Very high	97.2	Very high	32 Å²	32	43.9 Å²	43.9	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-34.7	-177.5	-62.1	-52.5	174.3	-152.2	0	112.2	G167 P168 T200 D201 D202 K208	G167-K204 VanDerWaalsContact O-CE 3.31Å; G167-K204 WeakPolarHBondContact O-CE 3.33Å; P168-K204 HydrophobicContact CG-CG 4.38Å; P168-K204 WeakPolarHBondContact O-CG 3.24Å; T200-K204 PolarHBondContact O-N 3.36Å; T200-K204 VanDerWaalsContact O-N 3.15Å; D201-K204 PolarHBondContact O-N 3.01Å; D202-K204 VanDerWaalsContact C-N 3.34Å; D202-K204 PolarHBondContact O-N 3.49Å; K204-K208 VanDerWaalsContact O-CB 3.25Å; K204-K208 WeakPolarHBondContact O-CB 3.44Å; K204-K208 PolarHBondContact O-N 3.4Å
205	Y	97.6	Very high	97.1	Very high	105 Å²	105	43.7 Å²	43.7	41%	0.412	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-41.4	168.6	175.2	-101.4	0	0	0	112.4	D201 D202 E203 K208 L210 L212	D201-Y205 WeakPolarHBondContact O-CB 3.49Å; D201-Y205 PolarHBondContact O-N 3.27Å; D202-Y205 PolarHBondContact O-N 3.34Å; E203-Y205 VanDerWaalsContact C-N 3.32Å; E203-Y205 PolarHBondContact O-N 3.46Å; Y205-K208 VanDerWaalsContact O-O 3.05Å; Y205-L210 WeakPolarHBondContact CD2-O 3.31Å; Y205-L210 VanDerWaalsContact CE2-O 3.27Å; Y205-L210 WeakPolarHBondContact CE2-O 3.32Å; Y205-L212 HydrophobicContact CD1-CD2 3.76Å; Y205-L212 HydrophobicContact CD2-CD2 3.65Å; Y205-L212 HydrophobicContact CD2-CG 4.12Å; Y205-L212 HydrophobicContact CE1-CD2 3.95Å; Y205-L212 HydrophobicContact CE2-CD2 3.87Å; Y205-L212 HydrophobicContact CE2-CG 3.98Å; Y205-L212 HydrophobicContact CG-CD2 3.6Å
206	L	97.4	Very high	97.1	Very high	48 Å²	48	47.8 Å²	47.8	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-73.1	-28.6	-179	-73.3	170.6	0	0	0	114	D202 E203 K281 F284	D202-L206 WeakPolarHBondContact O-CB 3.08Å; D202-L206 WeakPolarHBondContact O-CG 3.44Å; D202-L206 PolarHBondContact O-N 3.2Å; E203-L206 PolarHBondContact O-N 3.44Å; E203-L206 VanDerWaalsContact O-N 3.1Å; L206-K281 HydrophobicContact CB-CG 4.44Å; L206-K281 WeakPolarHBondContact O-CE 3.26Å; L206-F284 HydrophobicContact CD1-CB 4.49Å
207	W	94.9	Very high	97	Very high	59 Å²	59	49.2 Å²	49.2	22%	0.223	25%	0.247	C	C	.	.	H	α-helix	trans	-100.7	-20	-177.6	-91.9	-103.1	0	0	0	114.7	W92 E203 F273 K281 F284	W92-W207 AromaticContact CE2-NE1 3.73Å; W92-W207 HydrophobicContact CH2-CZ2 4.43Å; W92-W207 AromaticContact CZ2-CE2 3.93Å; W92-W207 AromaticContact CZ2-CZ2 3.55Å; W92-W207 HydrophobicContact CZ2-CZ2 3.55Å; W92-W207 AromaticContact CZ2-NE1 3.91Å; W92-W207 AromaticContact NE1-CD1 3.9Å; W92-W207 AromaticContact NE1-CE2 3.91Å; W92-W207 AromaticContact NE1-NE1 3.38Å; E203-W207 HydrophobicContact CG-CD2 4.38Å; E203-W207 HydrophobicContact CG-CE3 3.73Å; E203-W207 HydrophobicContact CG-CZ3 3.85Å; E203-W207 VanDerWaalsContact O-CE3 3.24Å; E203-W207 PolarHBondContact O-N 3.47Å; W207-F273 HydrophobicContact CH2-CE1 4.46Å; W207-F273 HydrophobicContact CH2-CZ 4.11Å; W207-F273 AromaticContact CZ2-CE1 3.72Å; W207-F273 HydrophobicContact CZ2-CE1 3.72Å; W207-F273 AromaticContact CZ2-CZ 3.77Å; W207-F273 HydrophobicContact CZ2-CZ 3.77Å; W207-K281 HydrophobicContact CD2-CD 4.24Å; W207-K281 HydrophobicContact CD2-CG 4Å; W207-K281 HydrophobicContact CE3-CG 3.87Å; W207-K281 HydrophobicContact CH2-CB 3.69Å; W207-K281 HydrophobicContact CH2-CG 3.78Å; W207-K281 HydrophobicContact CZ2-CB 3.9Å; W207-K281 HydrophobicContact CZ2-CD 4.2Å; W207-K281 HydrophobicContact CZ2-CG 3.85Å; W207-K281 HydrophobicContact CZ3-CB 4.1Å; W207-K281 HydrophobicContact CZ3-CG 3.79Å; W207-F284 HydrophobicContact CH2-CB 3.95Å; W207-F284 AromaticContact CH2-CD1 3.92Å; W207-F284 HydrophobicContact CH2-CD1 3.92Å; W207-F284 HydrophobicContact CH2-CG 4.12Å; W207-F284 HydrophobicContact CZ3-CB 3.92Å; W207-F284 HydrophobicContact CZ3-CD1 4.01Å; W207-F284 AromaticContact CZ3-CG 3.91Å; W207-F284 HydrophobicContact CZ3-CG 3.91Å
208	K	91.4	Very high	96.9	Very high	70 Å²	70	51.8 Å²	51.8	30%	0.304	26%	0.257	S	S	.	.	S	Bend	trans	-123.2	157.6	-177.1	-59.8	-168.1	168.6	-158.2	0	111.5	S169 K204 Y205 L210	S169-K208 PolarHBondContact O-NZ 3.21Å; K204-K208 VanDerWaalsContact O-CB 3.25Å; K204-K208 WeakPolarHBondContact O-CB 3.44Å; K204-K208 PolarHBondContact O-N 3.4Å; Y205-K208 VanDerWaalsContact O-O 3.05Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 HydrophobicContact CB-CD1 4.03Å; K208-L210 HydrophobicContact CB-CG 3.98Å; K208-L210 HydrophobicContact CD-CD1 4.21Å; K208-L210 PolarHBondContact O-N 3.31Å
209	D	93.3	Very high	96.8	Very high	161 Å²	161	51.8 Å²	51.8	86%	0.861	26%	0.257	S	S	*	.	S	Bend	trans	-77.8	82.1	170.8	-170.7	22.5	0	0	0	109.8
210	L	93.6	Very high	96.8	Very high	30 Å²	30	53.3 Å²	53.3	16%	0.157	27%	0.266	C	S	.	.			trans	-134.4	151.2	178.8	-64.2	174.9	0	0	0	109.4	Y205 K208 Q214 Y218	Y205-L210 WeakPolarHBondContact CD2-O 3.31Å; Y205-L210 VanDerWaalsContact CE2-O 3.27Å; Y205-L210 WeakPolarHBondContact CE2-O 3.32Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 HydrophobicContact CB-CD1 4.03Å; K208-L210 HydrophobicContact CB-CG 3.98Å; K208-L210 HydrophobicContact CD-CD1 4.21Å; K208-L210 PolarHBondContact O-N 3.31Å; L210-Q214 HydrophobicContact CB-CB 4.42Å; L210-Q214 HydrophobicContact CD2-CB 4.45Å; L210-Y218 HydrophobicContact CD1-CD2 4.13Å; L210-Y218 HydrophobicContact CD1-CE2 3.96Å; L210-Y218 HydrophobicContact CD2-CE2 3.93Å
211	T	97.6	Very high	96.7	Very high	72 Å²	72	56 Å²	56	44%	0.442	28%	0.278	S	S	.	.			trans	-77.8	162.8	164.8	72.5	0	0	0	0	110.8	D213 Q214 A215	T211-D213 VanDerWaalsContact C-N 3.32Å; T211-D213 PolarHBondContact O-N 2.86Å; T211-Q214 PolarHBondContact O-N 3.25Å; T211-Q214 VanDerWaalsContact OG1-CG 3.3Å; T211-Q214 WeakPolarHBondContact OG1-CG 3.28Å; T211-Q214 PolarHBondContact OG1-N 3.44Å; T211-Q214 PolarHBondContact OG1-OE1 3.11Å; T211-A215 PolarHBondContact O-N 3.33Å
212	L	97.9	Very high	96.7	Very high	83 Å²	83	56 Å²	56	44%	0.435	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-43.9	174.6	-66.6	174.2	0	0	0	111.6	Y205 Q214 A215 Y216 L242	Y205-L212 HydrophobicContact CD1-CD2 3.76Å; Y205-L212 HydrophobicContact CD2-CD2 3.65Å; Y205-L212 HydrophobicContact CD2-CG 4.12Å; Y205-L212 HydrophobicContact CE1-CD2 3.95Å; Y205-L212 HydrophobicContact CE2-CD2 3.87Å; Y205-L212 HydrophobicContact CE2-CG 3.98Å; Y205-L212 HydrophobicContact CG-CD2 3.6Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 3.27Å; L212-A215 PolarHBondContact O-N 3.36Å; L212-Y216 WeakPolarHBondContact O-CB 3.37Å; L212-Y216 PolarHBondContact O-N 3.06Å; L212-L242 HydrophobicContact CB-CD1 4.43Å; L212-L242 HydrophobicContact CD2-CD1 3.85Å; L212-L242 HydrophobicContact CD2-CD2 3.81Å
213	D	97.7	Very high	96.7	Very high	135 Å²	135	55.3 Å²	55.3	72%	0.722	28%	0.275	S	S	*	.	H	α-helix	trans	-63	-37	178.4	-63.9	-31.4	0	0	0	112.2	T211 G217	T211-D213 VanDerWaalsContact C-N 3.32Å; T211-D213 PolarHBondContact O-N 2.86Å; D213-G217 PolarHBondContact O-N 2.52Å
214	Q	96.3	Very high	96.7	Very high	89 Å²	89	55.7 Å²	55.7	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-67.2	-45.5	175.3	-74.6	172.6	-36.2	0	0	111.5	L210 T211 L212 G217 Y218	L210-Q214 HydrophobicContact CB-CB 4.42Å; L210-Q214 HydrophobicContact CD2-CB 4.45Å; T211-Q214 PolarHBondContact O-N 3.25Å; T211-Q214 VanDerWaalsContact OG1-CG 3.3Å; T211-Q214 WeakPolarHBondContact OG1-CG 3.28Å; T211-Q214 PolarHBondContact OG1-N 3.44Å; T211-Q214 PolarHBondContact OG1-OE1 3.11Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 3.27Å; Q214-G217 PolarHBondContact O-N 3.23Å; Q214-Y218 PolarHBondContact O-N 3.12Å
215	A	97.3	Very high	96.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-46	178.5	0	0	0	0	0	111.5	D201 T211 L212 Y218 A219	D201-A215 HydrophobicContact CB-CB 4.02Å; D201-A215 WeakPolarHBondContact CB-O 3.46Å; D201-A215 WeakPolarHBondContact O-CB 3.15Å; T211-A215 PolarHBondContact O-N 3.33Å; L212-A215 PolarHBondContact O-N 3.36Å; A215-Y218 PolarHBondContact O-N 3.25Å; A215-A219 PolarHBondContact O-N 3.02Å
216	Y	97.9	Very high	96.8	Very high	86 Å²	86	49.2 Å²	49.2	34%	0.337	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-42.5	174.3	-179.3	-103.9	0	0	0	112.1	L212 Y218 A219 V220 S240 D243	L212-Y216 WeakPolarHBondContact O-CB 3.37Å; L212-Y216 PolarHBondContact O-N 3.06Å; Y216-Y218 VanDerWaalsContact C-N 3.31Å; Y216-Y218 PolarHBondContact O-N 2.85Å; Y216-A219 WeakPolarHBondContact O-CA 3.33Å; Y216-A219 WeakPolarHBondContact O-CB 3.37Å; Y216-A219 PolarHBondContact O-N 3.39Å; Y216-V220 HydrophobicContact CD1-CG2 4.34Å; Y216-V220 HydrophobicContact CE1-CG2 3.86Å; Y216-V220 HydrophobicContact CE2-CG2 4.37Å; Y216-V220 PolarHBondContact O-N 3.36Å; Y216-S240 WeakPolarHBondContact CD2-OG 3.3Å; Y216-D243 HydrophobicContact CE2-CB 3.96Å
217	G	97.2	Very high	96.9	Very high	30 Å²	30	47.6 Å²	47.6	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-57.4	-42.2	174.6	0	0	0	0	0	112.7	D213 Q214 V220 E221	D213-G217 PolarHBondContact O-N 2.52Å; Q214-G217 PolarHBondContact O-N 3.23Å; G217-V220 PolarHBondContact O-N 2.7Å; G217-E221 PolarHBondContact O-N 2.76Å
218	Y	96.9	Very high	97.1	Very high	54 Å²	54	44.9 Å²	44.9	21%	0.212	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-35.2	173.8	-62.8	-25.7	0	0	0	112.8	E171 L210 Q214 A215 Y216 E221 N222	E171-Y218 HydrophobicContact CG-CD1 3.94Å; E171-Y218 HydrophobicContact CG-CE1 3.63Å; L210-Y218 HydrophobicContact CD1-CD2 4.13Å; L210-Y218 HydrophobicContact CD1-CE2 3.96Å; L210-Y218 HydrophobicContact CD2-CE2 3.93Å; Q214-Y218 PolarHBondContact O-N 3.12Å; A215-Y218 PolarHBondContact O-N 3.25Å; Y216-Y218 VanDerWaalsContact C-N 3.31Å; Y216-Y218 PolarHBondContact O-N 2.85Å; Y218-E221 PolarHBondContact O-N 3.07Å; Y218-N222 WeakPolarHBondContact O-CB 3.39Å; Y218-N222 PolarHBondContact O-N 2.72Å; Y218-N222 PolarHBondContact O-ND2 2.84Å
219	A	97.9	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-46.9	173.4	0	0	0	0	0	111.4	P168 M199 D201 A215 Y216 N222 A223	P168-A219 HydrophobicContact CG-CB 4.1Å; M199-A219 HydrophobicContact CB-CB 3.91Å; D201-A219 HydrophobicContact CB-CB 4.09Å; A215-A219 PolarHBondContact O-N 3.02Å; Y216-A219 WeakPolarHBondContact O-CA 3.33Å; Y216-A219 WeakPolarHBondContact O-CB 3.37Å; Y216-A219 PolarHBondContact O-N 3.39Å; A219-N222 PolarHBondContact O-N 2.69Å; A219-A223 WeakPolarHBondContact O-CB 3.21Å; A219-A223 PolarHBondContact O-N 2.88Å
220	V	97.6	Very high	97.7	Very high	33 Å²	33	36.6 Å²	36.6	20%	0.2	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-44.3	178.7	176.9	0	0	0	0	111.6	Y216 G217 A223 K224 M465	Y216-V220 HydrophobicContact CD1-CG2 4.34Å; Y216-V220 HydrophobicContact CE1-CG2 3.86Å; Y216-V220 HydrophobicContact CE2-CG2 4.37Å; Y216-V220 PolarHBondContact O-N 3.36Å; G217-V220 PolarHBondContact O-N 2.7Å; V220-A223 WeakPolarHBondContact O-CB 3.36Å; V220-A223 PolarHBondContact O-N 3.4Å; V220-K224 PolarHBondContact O-N 2.89Å; V220-M465 HydrophobicContact CG2-CE 4.27Å; V220-M465 HydrophobicContact CG2-SD 4.34Å
221	E	97.1	Very high	97.9	Very high	60 Å²	60	35.6 Å²	35.6	28%	0.28	20%	0.195	S	C	.	.	H	α-helix	trans	-68.9	-36.7	178.8	-76.1	-58.4	124.4	0	0	113.1	G217 Y218 A223 K224 D225 R453	G217-E221 PolarHBondContact O-N 2.76Å; Y218-E221 PolarHBondContact O-N 3.07Å; E221-A223 VanDerWaalsContact C-N 3.32Å; E221-K224 WeakPolarHBondContact O-CB 3.12Å; E221-K224 PolarHBondContact O-N 2.99Å; E221-K224 IonicContact OE1-NZ 3.28Å; E221-K224 PolarHBondContact OE1-NZ 2.73Å; E221-D225 PolarHBondContact O-N 2.8Å; E221-R453 PolarHBondContact O-NH2 3.04Å; E221-R453 IonicContact OE2-CZ 3.67Å; E221-R453 IonicContact OE2-NH1 2.72Å; E221-R453 IonicContact OE2-NH2 3.33Å; E221-R453 PolarHBondContact OE2-NH2 2.92Å
222	N	98.1	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.9	-30	173.6	-78.8	-134.8	0	0	0	111	R166 P168 S170 E171 M199 Y218 A219 K224 D225 I226	R166-N222 PolarHBondContact NE-OD1 3.14Å; P168-N222 HydrophobicContact CB-CB 4.26Å; S170-N222 PolarHBondContact O-ND2 3.27Å; E171-N222 PolarHBondContact O-ND2 3.44Å; M199-N222 HydrophobicContact CE-CB 3.57Å; Y218-N222 WeakPolarHBondContact O-CB 3.39Å; Y218-N222 PolarHBondContact O-N 2.72Å; Y218-N222 PolarHBondContact O-ND2 2.84Å; A219-N222 PolarHBondContact O-N 2.69Å; N222-K224 VanDerWaalsContact C-N 3.27Å; N222-K224 PolarHBondContact O-N 3.34Å; N222-D225 WeakPolarHBondContact O-CB 3.47Å; N222-D225 PolarHBondContact O-N 3.32Å; N222-I226 VanDerWaalsContact O-CG1 3.32Å; N222-I226 WeakPolarHBondContact O-CG1 3.37Å; N222-I226 PolarHBondContact O-N 3.2Å
223	A	98.4	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-37.8	172.6	0	0	0	0	0	111.2	A219 V220 E221 D225 I226 I227 I238 M465	A219-A223 WeakPolarHBondContact O-CB 3.21Å; A219-A223 PolarHBondContact O-N 2.88Å; V220-A223 WeakPolarHBondContact O-CB 3.36Å; V220-A223 PolarHBondContact O-N 3.4Å; E221-A223 VanDerWaalsContact C-N 3.32Å; A223-D225 PolarHBondContact O-N 3.43Å; A223-I226 PolarHBondContact O-N 3.26Å; A223-I227 WeakPolarHBondContact O-CB 3.38Å; A223-I227 WeakPolarHBondContact O-CD1 3.48Å; A223-I227 WeakPolarHBondContact O-CG1 3.33Å; A223-I227 PolarHBondContact O-N 3.28Å; A223-I238 HydrophobicContact CB-CG2 4.11Å; A223-M465 HydrophobicContact CB-SD 3.89Å
224	K	98.4	Very high	98	Very high	23 Å²	23	30 Å²	30	10%	0.1	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-41.7	174.1	-63.8	175.6	179.2	170	0	112.5	V220 E221 N222 I226 I227 A228 R453 V456 D458 A461	V220-K224 PolarHBondContact O-N 2.89Å; E221-K224 WeakPolarHBondContact O-CB 3.12Å; E221-K224 PolarHBondContact O-N 2.99Å; E221-K224 IonicContact OE1-NZ 3.28Å; E221-K224 PolarHBondContact OE1-NZ 2.73Å; N222-K224 VanDerWaalsContact C-N 3.27Å; N222-K224 PolarHBondContact O-N 3.34Å; K224-I226 VanDerWaalsContact C-N 3.31Å; K224-I226 PolarHBondContact O-N 2.95Å; K224-I227 PolarHBondContact O-N 2.77Å; K224-A228 WeakPolarHBondContact O-CB 3.23Å; K224-A228 PolarHBondContact O-N 3.21Å; K224-R453 HydrophobicContact CB-CG 4.43Å; K224-V456 HydrophobicContact CB-CG1 4.22Å; K224-V456 HydrophobicContact CG-CG1 3.96Å; K224-D458 VanDerWaalsContact CE-OD1 3.31Å; K224-D458 WeakPolarHBondContact CE-OD1 3.39Å; K224-D458 IonicContact NZ-OD1 2.8Å; K224-D458 PolarHBondContact NZ-OD1 2.97Å; K224-A461 HydrophobicContact CG-CB 4.3Å
225	D	98.2	Very high	98.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-38.9	174.4	-78.3	-23.8	0	0	0	112.1	M173 E221 N222 A223 H449 R453	M173-D225 HydrophobicContact CG-CB 4.26Å; M173-D225 PolarHBondContact N-OD2 3.02Å; M173-D225 HydrophobicContact SD-CB 3.44Å; M173-D225 WeakPolarHBondContact SD-CB 3.4Å; E221-D225 PolarHBondContact O-N 2.8Å; N222-D225 WeakPolarHBondContact O-CB 3.47Å; N222-D225 PolarHBondContact O-N 3.32Å; A223-D225 PolarHBondContact O-N 3.43Å; D225-H449 PolarHBondContact O-NE2 3.32Å; D225-H449 IonicContact OD1-CE1 3.64Å; D225-H449 PolarHBondContact OD1-CE1 3.01Å; D225-R453 WeakPolarHBondContact OD1-CD 3.48Å; D225-R453 IonicContact OD1-CZ 3.23Å; D225-R453 IonicContact OD1-NE 3.68Å; D225-R453 PolarHBondContact OD1-NE 2.83Å
226	I	98.6	Very high	98.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.3	-46.8	178.1	-68.3	166.2	0	0	0	110.4	R166 M173 F181 I197 M199 N222 A223 K224 A228 C229 F231 I238	R166-I226 HydrophobicContact CB-CD1 4.13Å; R166-I226 HydrophobicContact CG-CD1 4.44Å; M173-I226 HydrophobicContact CE-CG1 4.33Å; M173-I226 HydrophobicContact SD-CG1 4.13Å; F181-I226 HydrophobicContact CD1-CG1 4.39Å; F181-I226 HydrophobicContact CD1-CG2 4.1Å; F181-I226 HydrophobicContact CD2-CG1 4.37Å; F181-I226 HydrophobicContact CE1-CD1 3.99Å; F181-I226 HydrophobicContact CE1-CG1 3.98Å; F181-I226 HydrophobicContact CE1-CG2 4.02Å; F181-I226 HydrophobicContact CE2-CD1 4.21Å; F181-I226 HydrophobicContact CE2-CG1 3.99Å; F181-I226 HydrophobicContact CZ-CD1 3.64Å; F181-I226 HydrophobicContact CZ-CG1 3.79Å; I197-I226 HydrophobicContact CD1-CG2 3.49Å; I197-I226 VanDerWaalsContact CD1-CG2 3.49Å; I197-I226 HydrophobicContact CG2-CD1 4.21Å; M199-I226 HydrophobicContact CE-CD1 3.94Å; M199-I226 HydrophobicContact SD-CD1 3.53Å; M199-I226 VanDerWaalsContact SD-CD1 3.53Å; N222-I226 VanDerWaalsContact O-CG1 3.32Å; N222-I226 WeakPolarHBondContact O-CG1 3.37Å; N222-I226 PolarHBondContact O-N 3.2Å; A223-I226 PolarHBondContact O-N 3.26Å; K224-I226 VanDerWaalsContact C-N 3.31Å; K224-I226 PolarHBondContact O-N 2.95Å; I226-A228 PolarHBondContact O-N 2.8Å; I226-C229 WeakPolarHBondContact O-CB 3.33Å; I226-C229 PolarHBondContact O-N 3.48Å; I226-F231 HydrophobicContact CG2-CD2 3.97Å; I226-F231 HydrophobicContact CG2-CE2 3.78Å; I226-F231 WeakPolarHBondContact O-CD2 3.14Å; I226-I238 HydrophobicContact CB-CD1 4.46Å; I226-I238 HydrophobicContact CG2-CD1 3.93Å
227	I	98.8	Very high	98.3	Very high	13 Å²	13	23.6 Å²	23.6	7%	0.067	14%	0.135	C	C	.	.	H	α-helix	trans	-58.1	-38.6	176.2	-67.2	162	0	0	0	110.6	A223 K224 C229 G230 I238 V456 I460 A461 F464	A223-I227 WeakPolarHBondContact O-CB 3.38Å; A223-I227 WeakPolarHBondContact O-CD1 3.48Å; A223-I227 WeakPolarHBondContact O-CG1 3.33Å; A223-I227 PolarHBondContact O-N 3.28Å; K224-I227 PolarHBondContact O-N 2.77Å; I227-C229 PolarHBondContact O-N 2.74Å; I227-G230 PolarHBondContact O-N 2.99Å; I227-I238 HydrophobicContact CD1-CD1 4.31Å; I227-I238 HydrophobicContact CG1-CD1 3.74Å; I227-V456 HydrophobicContact CB-CG1 4.19Å; I227-V456 HydrophobicContact CB-CG2 4.11Å; I227-V456 HydrophobicContact CD1-CG1 3.95Å; I227-V456 HydrophobicContact CG2-CB 4.47Å; I227-V456 HydrophobicContact CG2-CG1 3.95Å; I227-V456 HydrophobicContact CG2-CG2 3.63Å; I227-I460 HydrophobicContact CG2-CG2 4.17Å; I227-A461 HydrophobicContact CD1-CB 4.22Å; I227-F464 HydrophobicContact CB-CE2 4.42Å; I227-F464 HydrophobicContact CD1-CB 3.95Å; I227-F464 HydrophobicContact CD1-CD2 3.62Å; I227-F464 HydrophobicContact CD1-CE2 4.24Å; I227-F464 HydrophobicContact CD1-CG 3.82Å; I227-F464 HydrophobicContact CG1-CB 4.35Å; I227-F464 HydrophobicContact CG1-CD1 4.11Å; I227-F464 HydrophobicContact CG1-CD2 3.73Å; I227-F464 HydrophobicContact CG1-CE1 4.29Å; I227-F464 HydrophobicContact CG1-CE2 3.95Å; I227-F464 HydrophobicContact CG1-CG 3.81Å; I227-F464 HydrophobicContact CG1-CZ 4.22Å; I227-F464 HydrophobicContact CG2-CD2 4.14Å; I227-F464 HydrophobicContact CG2-CE2 3.62Å; I227-F464 HydrophobicContact CG2-CZ 4.01Å
228	A	98.6	Very high	98.4	Very high	2 Å²	2	22.2 Å²	22.2	2%	0.017	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.7	176.1	0	0	0	0	0	114.6	K224 I226 G230 R452 R453	K224-A228 WeakPolarHBondContact O-CB 3.23Å; K224-A228 PolarHBondContact O-N 3.21Å; I226-A228 PolarHBondContact O-N 2.8Å; A228-G230 PolarHBondContact O-N 3.49Å; A228-R452 HydrophobicContact CB-CB 4.18Å; A228-R452 PolarHBondContact O-NE 3.02Å; A228-R453 HydrophobicContact CB-CB 3.73Å; A228-R453 HydrophobicContact CB-CG 4.3Å
229	C	98.6	Very high	98.5	Very high	22 Å²	22	19.7 Å²	19.7	15%	0.149	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11	166.3	-60.1	0	0	0	0	112.8	I226 I227 F231	I226-C229 WeakPolarHBondContact O-CB 3.33Å; I226-C229 PolarHBondContact O-N 3.48Å; I227-C229 PolarHBondContact O-N 2.74Å; C229-F231 HydrophobicContact CB-CD2 4.16Å; C229-F231 HydrophobicContact CB-CE2 3.84Å
230	G	98.5	Very high	98.5	Very high	36 Å²	36	19.8 Å²	19.8	37%	0.371	11%	0.111	S	C	.	.			trans	90.2	26.1	172.2	0	0	0	0	0	114.9	K185 I227 A228	K185-G230 WeakPolarHBondContact CE-O 3.14Å; I227-G230 PolarHBondContact O-N 2.99Å; A228-G230 PolarHBondContact O-N 3.49Å
231	F	98.8	Very high	98.6	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.039	10%	0.102	C	C	.	.			trans	-58.2	145.8	174.2	-70.2	-73.8	0	0	0	111.8	F181 T184 K185 L195 I197 I226 C229 I233 T236 F464	F181-F231 HydrophobicContact CB-CE2 4.29Å; F181-F231 HydrophobicContact CB-CZ 4.23Å; F181-F231 AromaticContact CD1-CE2 3.98Å; F181-F231 HydrophobicContact CD1-CE2 3.98Å; F181-F231 AromaticContact CD1-CZ 3.97Å; F181-F231 HydrophobicContact CD1-CZ 3.97Å; F181-F231 WeakPolarHBondContact O-CZ 3.48Å; T184-F231 HydrophobicContact CG2-CE1 4.06Å; T184-F231 HydrophobicContact CG2-CZ 4.41Å; K185-F231 VanDerWaalsContact CA-CE1 3.45Å; K185-F231 HydrophobicContact CB-CD1 4.12Å; K185-F231 HydrophobicContact CB-CE1 3.69Å; K185-F231 HydrophobicContact CB-CZ 4.05Å; K185-F231 HydrophobicContact CG-CD1 4.12Å; K185-F231 HydrophobicContact CG-CE1 4.2Å; L195-F231 HydrophobicContact CD2-CD1 3.34Å; L195-F231 HydrophobicContact CD2-CE1 3.27Å; L195-F231 HydrophobicContact CD2-CG 4.19Å; L195-F231 HydrophobicContact CD2-CZ 4.1Å; I197-F231 HydrophobicContact CD1-CD2 4.32Å; I197-F231 HydrophobicContact CD1-CE2 4.15Å; I197-F231 HydrophobicContact CD1-CZ 4.36Å; I226-F231 HydrophobicContact CG2-CD2 3.97Å; I226-F231 HydrophobicContact CG2-CE2 3.78Å; I226-F231 WeakPolarHBondContact O-CD2 3.14Å; C229-F231 HydrophobicContact CB-CD2 4.16Å; C229-F231 HydrophobicContact CB-CE2 3.84Å; F231-I233 PolarHBondContact O-N 3.16Å; F231-T236 HydrophobicContact CB-CG2 4.16Å; F231-T236 HydrophobicContact CG-CG2 4.49Å; F231-F464 HydrophobicContact CB-CE1 4.23Å; F231-F464 WeakPolarHBondContact O-CZ 3.31Å
232	D	98.6	Very high	98.6	Very high	47 Å²	47	18.4 Å²	18.4	25%	0.251	11%	0.105	S	C	.	.			trans	-73.8	117.6	178.6	-174.8	-16.3	0	0	0	109.5	N234 K235 T236	D232-N234 PolarHBondContact O-N 3.08Å; D232-N234 WeakPolarHBondContact OD1-CB 3.28Å; D232-N234 PolarHBondContact OD1-N 2.7Å; D232-N234 PolarHBondContact OD1-ND2 2.78Å; D232-N234 VanDerWaalsContact OD1-ND2 3.12Å; D232-K235 HydrophobicContact CB-CB 4.16Å; D232-K235 HydrophobicContact CB-CD 4.18Å; D232-K235 HydrophobicContact CB-CG 4.25Å; D232-K235 CarbonylContact O-C 3.52Å; D232-K235 PolarHBondContact O-N 2.77Å; D232-K235 VanDerWaalsContact OD2-CD 3.31Å; D232-K235 WeakPolarHBondContact OD2-CD 3.47Å; D232-K235 VanDerWaalsContact OD2-CE 3.22Å; D232-K235 WeakPolarHBondContact OD2-CE 3.4Å; D232-K235 IonicContact OD2-NZ 3.42Å; D232-K235 PolarHBondContact OD2-NZ 3.09Å; D232-T236 VanDerWaalsContact O-CB 3.29Å; D232-T236 WeakPolarHBondContact O-CB 3.42Å; D232-T236 PolarHBondContact O-N 2.96Å; D232-T236 VanDerWaalsContact O-N 3.11Å; D232-T236 PolarHBondContact O-OG1 3.36Å
233	I	98.6	Very high	98.7	Very high	38 Å²	38	21.8 Å²	21.8	20%	0.195	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-59.2	-30	179.1	-163.4	165	0	0	0	111.4	F231 K235 I460 E463 F464 R468	F231-I233 PolarHBondContact O-N 3.16Å; I233-K235 PolarHBondContact O-N 3.17Å; I233-I460 HydrophobicContact CD1-CG2 4.37Å; I233-E463 HydrophobicContact CD1-CB 4.01Å; I233-E463 HydrophobicContact CD1-CG 3.73Å; I233-E463 HydrophobicContact CG1-CG 4.16Å; I233-F464 VanDerWaalsContact CA-CZ 3.48Å; I233-F464 HydrophobicContact CB-CD2 4.33Å; I233-F464 HydrophobicContact CB-CE1 4.22Å; I233-F464 HydrophobicContact CB-CE2 3.64Å; I233-F464 HydrophobicContact CB-CZ 3.58Å; I233-F464 HydrophobicContact CD1-CD2 3.68Å; I233-F464 HydrophobicContact CD1-CE2 3.57Å; I233-F464 HydrophobicContact CD1-CZ 4.39Å; I233-F464 HydrophobicContact CG1-CD1 4.48Å; I233-F464 HydrophobicContact CG1-CD2 3.67Å; I233-F464 HydrophobicContact CG1-CE1 4.33Å; I233-F464 HydrophobicContact CG1-CE2 3.48Å; I233-F464 VanDerWaalsContact CG1-CE2 3.48Å; I233-F464 HydrophobicContact CG1-CG 4.18Å; I233-F464 HydrophobicContact CG1-CZ 3.84Å; I233-R468 PolarHBondContact O-NH2 3.42Å
234	N	98.7	Very high	98.7	Very high	87 Å²	87	22.1 Å²	22.1	47%	0.465	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-77.9	-5.5	-179.8	-54.2	-69.3	0	0	0	112.7	D232 L470 S471	D232-N234 PolarHBondContact O-N 3.08Å; D232-N234 WeakPolarHBondContact OD1-CB 3.28Å; D232-N234 PolarHBondContact OD1-N 2.7Å; D232-N234 PolarHBondContact OD1-ND2 2.78Å; D232-N234 VanDerWaalsContact OD1-ND2 3.12Å; N234-L470 CarbonylContact O-C 3.56Å; N234-S471 WeakPolarHBondContact CB-OG 3.4Å; N234-S471 WeakPolarHBondContact O-CB 3.49Å; N234-S471 PolarHBondContact O-N 3.44Å; N234-S471 PolarHBondContact O-OG 3.17Å
235	K	98.8	Very high	98.7	Very high	39 Å²	39	23.2 Å²	23.2	17%	0.17	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-131.1	4.3	-172	-57.8	179.8	-176.5	147	0	113.1	Q188 N192 P194 L195 D232 I233 S471 F472	Q188-K235 PolarHBondContact NE2-O 3.29Å; N192-K235 WeakPolarHBondContact OD1-CE 3.3Å; N192-K235 PolarHBondContact OD1-NZ 3.32Å; P194-K235 CarbonylContact C-O 3.6Å; P194-K235 WeakPolarHBondContact CA-O 3.5Å; L195-K235 PolarHBondContact N-O 2.82Å; D232-K235 HydrophobicContact CB-CB 4.16Å; D232-K235 HydrophobicContact CB-CD 4.18Å; D232-K235 HydrophobicContact CB-CG 4.25Å; D232-K235 CarbonylContact O-C 3.52Å; D232-K235 PolarHBondContact O-N 2.77Å; D232-K235 VanDerWaalsContact OD2-CD 3.31Å; D232-K235 WeakPolarHBondContact OD2-CD 3.47Å; D232-K235 VanDerWaalsContact OD2-CE 3.22Å; D232-K235 WeakPolarHBondContact OD2-CE 3.4Å; D232-K235 IonicContact OD2-NZ 3.42Å; D232-K235 PolarHBondContact OD2-NZ 3.09Å; I233-K235 PolarHBondContact O-N 3.17Å; K235-S471 WeakPolarHBondContact CG-OG 3.17Å; K235-F472 HydrophobicContact CB-CE2 3.82Å; K235-F472 HydrophobicContact CB-CZ 4.44Å; K235-F472 HydrophobicContact CD-CE2 3.87Å; K235-F472 HydrophobicContact CD-CZ 3.71Å; K235-F472 HydrophobicContact CG-CD2 4.5Å; K235-F472 HydrophobicContact CG-CE2 3.51Å; K235-F472 HydrophobicContact CG-CZ 3.9Å
236	T	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.3	-171.7	-49.2	0	0	0	0	110.8	Q188 L195 I197 F231 D232 I238 F464 R468	Q188-T236 PolarHBondContact NE2-OG1 2.82Å; L195-T236 HydrophobicContact CB-CG2 4.39Å; L195-T236 HydrophobicContact CD2-CG2 3.97Å; L195-T236 HydrophobicContact CG-CG2 4.13Å; L195-T236 WeakPolarHBondContact O-CA 3.35Å; I197-T236 HydrophobicContact CD1-CG2 4.07Å; I197-T236 HydrophobicContact CG1-CG2 4.39Å; F231-T236 HydrophobicContact CB-CG2 4.16Å; F231-T236 HydrophobicContact CG-CG2 4.49Å; D232-T236 VanDerWaalsContact O-CB 3.29Å; D232-T236 WeakPolarHBondContact O-CB 3.42Å; D232-T236 PolarHBondContact O-N 2.96Å; D232-T236 VanDerWaalsContact O-N 3.11Å; D232-T236 PolarHBondContact O-OG1 3.36Å; T236-I238 HydrophobicContact CG2-CG1 4.13Å; T236-F464 HydrophobicContact CG2-CD1 4.02Å; T236-F464 HydrophobicContact CG2-CE1 4.02Å; T236-R468 PolarHBondContact O-NH2 3.1Å
237	F	98.9	Very high	98.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.6	171.2	174.5	-125	0	0	0	109.2	L195 V196 I197 F239 Y244 F297 I300 P467	L195-F237 PolarHBondContact O-N 2.94Å; V196-F237 CarbonylContact C-O 3.5Å; V196-F237 VanDerWaalsContact CA-O 3.26Å; V196-F237 WeakPolarHBondContact CA-O 3.46Å; V196-F237 HydrophobicContact CG1-CB 4.45Å; V196-F237 HydrophobicContact CG1-CD1 4.27Å; I197-F237 PolarHBondContact N-O 2.74Å; F237-F239 HydrophobicContact CD1-CB 4.49Å; F237-F239 HydrophobicContact CD1-CD1 4.02Å; F237-F239 HydrophobicContact CE1-CB 3.72Å; F237-F239 AromaticContact CE1-CD1 3.76Å; F237-F239 HydrophobicContact CE1-CD1 3.76Å; F237-F239 AromaticContact CE1-CG 3.93Å; F237-F239 HydrophobicContact CE1-CG 3.93Å; F237-F239 HydrophobicContact CE2-CB 4.13Å; F237-F239 HydrophobicContact CZ-CB 3.51Å; F237-F239 HydrophobicContact CZ-CD1 4.44Å; F237-F239 HydrophobicContact CZ-CG 4.22Å; F237-Y244 HydrophobicContact CE1-CD1 4.49Å; F237-Y244 HydrophobicContact CE1-CD2 4.14Å; F237-Y244 HydrophobicContact CE1-CE1 4.21Å; F237-Y244 AromaticContact CE1-CE2 3.84Å; F237-Y244 HydrophobicContact CE1-CE2 3.84Å; F237-Y244 HydrophobicContact CE1-CG 4.46Å; F237-Y244 AromaticContact CE1-CZ 3.89Å; F237-Y244 AromaticContact CZ-CD2 3.67Å; F237-Y244 HydrophobicContact CZ-CD2 3.67Å; F237-Y244 AromaticContact CZ-CE2 3.66Å; F237-Y244 HydrophobicContact CZ-CE2 3.66Å; F237-Y244 HydrophobicContact CZ-CG 4.22Å; F237-F297 AromaticContact CD1-CD1 3.95Å; F237-F297 HydrophobicContact CD1-CD1 3.95Å; F237-F297 HydrophobicContact CD1-CE1 4.18Å; F237-F297 AromaticContact CE1-CD1 3.81Å; F237-F297 HydrophobicContact CE1-CD1 3.81Å; F237-F297 AromaticContact CE1-CE1 3.99Å; F237-F297 HydrophobicContact CE1-CE1 3.99Å; F237-I300 HydrophobicContact CB-CD1 3.73Å; F237-I300 HydrophobicContact CD1-CD1 3.77Å; F237-I300 HydrophobicContact CG-CD1 3.98Å; F237-P467 HydrophobicContact CE2-CB 4.25Å; F237-P467 HydrophobicContact CE2-CG 4.01Å; F237-P467 HydrophobicContact CZ-CB 4.19Å; F237-P467 HydrophobicContact CZ-CG 3.91Å
238	I	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.1	174.4	-53.2	-176.8	0	0	0	106.6	I197 M199 A223 I226 I227 T236 F464 M465	I197-I238 HydrophobicContact CB-CB 4.45Å; I197-I238 HydrophobicContact CB-CG1 4.15Å; I197-I238 HydrophobicContact CB-CG2 4.31Å; I197-I238 HydrophobicContact CD1-CD1 4.4Å; I197-I238 HydrophobicContact CD1-CG1 4.16Å; I197-I238 HydrophobicContact CG1-CG1 4.42Å; I197-I238 HydrophobicContact CG2-CG2 4.5Å; I197-I238 CarbonylContact O-C 3.51Å; I197-I238 WeakPolarHBondContact O-CA 3.39Å; M199-I238 HydrophobicContact CG-CG2 3.67Å; M199-I238 HydrophobicContact SD-CG2 4.06Å; A223-I238 HydrophobicContact CB-CG2 4.11Å; I226-I238 HydrophobicContact CB-CD1 4.46Å; I226-I238 HydrophobicContact CG2-CD1 3.93Å; I227-I238 HydrophobicContact CD1-CD1 4.31Å; I227-I238 HydrophobicContact CG1-CD1 3.74Å; T236-I238 HydrophobicContact CG2-CG1 4.13Å; I238-F464 HydrophobicContact CD1-CB 4.23Å; I238-F464 HydrophobicContact CD1-CD1 4.01Å; I238-F464 HydrophobicContact CD1-CG 4.36Å; I238-F464 HydrophobicContact CG1-CB 4.31Å; I238-F464 HydrophobicContact CG1-CD1 4.16Å; I238-F464 PolarHBondContact N-O 3.04Å; I238-M465 HydrophobicContact CB-CG 4.13Å; I238-M465 HydrophobicContact CG2-CG 4.35Å; I238-M465 WeakPolarHBondContact O-CA 3.38Å
239	F	98.9	Very high	98.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.1	-179.5	66.6	-83.7	0	0	0	112.4	V196 I197 Q198 M199 F237 D241 Y244 F251 P291 F297	V196-F239 HydrophobicContact CB-CE1 4.3Å; I197-F239 WeakPolarHBondContact O-CD1 3.39Å; I197-F239 PolarHBondContact O-N 3.25Å; Q198-F239 HydrophobicContact CB-CE1 3.95Å; Q198-F239 HydrophobicContact CB-CE2 4.05Å; Q198-F239 HydrophobicContact CB-CZ 3.49Å; Q198-F239 VanDerWaalsContact CB-CZ 3.49Å; Q198-F239 HydrophobicContact CG-CE2 3.71Å; Q198-F239 HydrophobicContact CG-CZ 3.65Å; M199-F239 WeakPolarHBondContact CA-O 3.45Å; M199-F239 VanDerWaalsContact CB-O 3.28Å; M199-F239 WeakPolarHBondContact CB-O 3.29Å; M199-F239 PolarHBondContact N-O 3.08Å; F237-F239 HydrophobicContact CD1-CB 4.49Å; F237-F239 HydrophobicContact CD1-CD1 4.02Å; F237-F239 HydrophobicContact CE1-CB 3.72Å; F237-F239 AromaticContact CE1-CD1 3.76Å; F237-F239 HydrophobicContact CE1-CD1 3.76Å; F237-F239 AromaticContact CE1-CG 3.93Å; F237-F239 HydrophobicContact CE1-CG 3.93Å; F237-F239 HydrophobicContact CE2-CB 4.13Å; F237-F239 HydrophobicContact CZ-CB 3.51Å; F237-F239 HydrophobicContact CZ-CD1 4.44Å; F237-F239 HydrophobicContact CZ-CG 4.22Å; F239-D241 WeakPolarHBondContact CE2-OD1 3.47Å; F239-Y244 HydrophobicContact CB-CD1 4.43Å; F239-Y244 HydrophobicContact CB-CG 4.12Å; F239-Y244 AromaticContact CD2-CD1 3.62Å; F239-Y244 HydrophobicContact CD2-CD1 3.62Å; F239-Y244 AromaticContact CD2-CG 3.98Å; F239-Y244 HydrophobicContact CD2-CG 3.98Å; F239-Y244 HydrophobicContact CE2-CD1 4.05Å; F239-Y244 HydrophobicContact CG-CD1 4.06Å; F239-Y244 HydrophobicContact CG-CG 4.24Å; F239-F251 AromaticContact CE2-CE2 3.74Å; F239-F251 HydrophobicContact CE2-CE2 3.74Å; F239-F251 AromaticContact CE2-CZ 3.92Å; F239-F251 HydrophobicContact CE2-CZ 3.92Å; F239-F251 AromaticContact CZ-CE2 3.97Å; F239-F251 HydrophobicContact CZ-CE2 3.97Å; F239-F251 HydrophobicContact CZ-CZ 4.42Å; F239-P291 HydrophobicContact CZ-CB 4.31Å; F239-P291 HydrophobicContact CZ-CG 3.9Å; F239-F297 AromaticContact CD1-CE1 3.98Å; F239-F297 HydrophobicContact CD1-CE1 3.98Å; F239-F297 AromaticContact CE1-CE1 3.56Å; F239-F297 HydrophobicContact CE1-CE1 3.56Å; F239-F297 AromaticContact CE1-CZ 3.7Å; F239-F297 HydrophobicContact CE1-CZ 3.7Å; F239-F297 AromaticContact CZ-CE1 3.88Å; F239-F297 HydrophobicContact CZ-CE1 3.88Å; F239-F297 AromaticContact CZ-CZ 3.86Å; F239-F297 HydrophobicContact CZ-CZ 3.86Å
240	S	98.9	Very high	98.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.1	163.6	152.4	0	0	0	0	108.8	D201 Y216 L242 D243 Y244	D201-S240 VanDerWaalsContact CG-OG 3.25Å; D201-S240 PolarHBondContact OD1-OG 3.22Å; D201-S240 VanDerWaalsContact OD2-CB 3.23Å; D201-S240 WeakPolarHBondContact OD2-CB 3.35Å; D201-S240 PolarHBondContact OD2-OG 3.49Å; Y216-S240 WeakPolarHBondContact CD2-OG 3.3Å; S240-L242 PolarHBondContact OG-N 3.32Å; S240-D243 PolarHBondContact OG-N 3.1Å; S240-D243 VanDerWaalsContact OG-N 3.11Å; S240-Y244 WeakPolarHBondContact O-CB 3.25Å; S240-Y244 PolarHBondContact O-N 3.15Å
241	D	98.9	Very high	98.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-43.2	173.7	-80.2	-39.7	0	0	0	111	Q198 M199 T200 D201 D202 F239 D243 M245 I287	Q198-D241 VanDerWaalsContact CD-OD2 3.3Å; Q198-D241 WeakPolarHBondContact CG-OD1 3.26Å; Q198-D241 VanDerWaalsContact CG-OD2 3.29Å; Q198-D241 WeakPolarHBondContact CG-OD2 3.33Å; Q198-D241 PolarHBondContact NE2-OD1 3.08Å; Q198-D241 PolarHBondContact NE2-OD2 3.14Å; M199-D241 PolarHBondContact O-N 2.89Å; M199-D241 VanDerWaalsContact O-N 3.08Å; T200-D241 WeakPolarHBondContact CA-OD2 3.32Å; T200-D241 WeakPolarHBondContact CG2-OD2 3.18Å; D201-D241 PolarHBondContact OD1-N 3.48Å; D201-D241 VanDerWaalsContact OD1-N 3.14Å; D202-D241 HydrophobicContact CB-CB 4.25Å; D202-D241 VanDerWaalsContact CG-CB 3.44Å; D202-D241 WeakPolarHBondContact OD1-CB 3.38Å; F239-D241 WeakPolarHBondContact CE2-OD1 3.47Å; D241-D243 VanDerWaalsContact C-N 3.3Å; D241-D243 PolarHBondContact O-N 3.2Å; D241-M245 WeakPolarHBondContact O-CB 3.43Å; D241-M245 PolarHBondContact O-N 3.31Å; D241-M245 VanDerWaalsContact O-N 3.12Å; D241-I287 HydrophobicContact CB-CG2 4.49Å
242	L	98.6	Very high	98.7	Very high	63 Å²	63	39.3 Å²	39.3	33%	0.33	22%	0.222	S	C	.	.	H	α-helix	trans	-56.9	-41.9	177.8	-70	175.6	0	0	0	112.7	D201 D202 L212 S240	D201-L242 HydrophobicContact CB-CD1 4.12Å; D201-L242 HydrophobicContact CB-CG 4.48Å; D201-L242 WeakPolarHBondContact OD1-CG 3.44Å; D201-L242 PolarHBondContact OD1-N 2.94Å; D202-L242 HydrophobicContact CB-CD2 3.78Å; D202-L242 HydrophobicContact CB-CG 4.08Å; L212-L242 HydrophobicContact CB-CD1 4.43Å; L212-L242 HydrophobicContact CD2-CD1 3.85Å; L212-L242 HydrophobicContact CD2-CD2 3.81Å; S240-L242 PolarHBondContact OG-N 3.32Å
243	D	98.6	Very high	98.7	Very high	70 Å²	70	43.6 Å²	43.6	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-82	-51.1	-177.3	-164.7	45.5	0	0	0	111.8	Y216 S240 D241 M245 G246	Y216-D243 HydrophobicContact CE2-CB 3.96Å; S240-D243 PolarHBondContact OG-N 3.1Å; S240-D243 VanDerWaalsContact OG-N 3.11Å; D241-D243 VanDerWaalsContact C-N 3.3Å; D241-D243 PolarHBondContact O-N 3.2Å; D243-M245 VanDerWaalsContact C-N 3.34Å; D243-M245 PolarHBondContact O-N 3.09Å; D243-G246 PolarHBondContact O-N 3.44Å
244	Y	98.9	Very high	98.7	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-69.5	-30.1	-172.4	-173.4	-119.4	0	0	0	113.7	F237 F239 S240 G246 M247 S248 F251 S296 F297 P467	F237-Y244 HydrophobicContact CE1-CD1 4.49Å; F237-Y244 HydrophobicContact CE1-CD2 4.14Å; F237-Y244 HydrophobicContact CE1-CE1 4.21Å; F237-Y244 AromaticContact CE1-CE2 3.84Å; F237-Y244 HydrophobicContact CE1-CE2 3.84Å; F237-Y244 HydrophobicContact CE1-CG 4.46Å; F237-Y244 AromaticContact CE1-CZ 3.89Å; F237-Y244 AromaticContact CZ-CD2 3.67Å; F237-Y244 HydrophobicContact CZ-CD2 3.67Å; F237-Y244 AromaticContact CZ-CE2 3.66Å; F237-Y244 HydrophobicContact CZ-CE2 3.66Å; F237-Y244 HydrophobicContact CZ-CG 4.22Å; F239-Y244 HydrophobicContact CB-CD1 4.43Å; F239-Y244 HydrophobicContact CB-CG 4.12Å; F239-Y244 AromaticContact CD2-CD1 3.62Å; F239-Y244 HydrophobicContact CD2-CD1 3.62Å; F239-Y244 AromaticContact CD2-CG 3.98Å; F239-Y244 HydrophobicContact CD2-CG 3.98Å; F239-Y244 HydrophobicContact CE2-CD1 4.05Å; F239-Y244 HydrophobicContact CG-CD1 4.06Å; F239-Y244 HydrophobicContact CG-CG 4.24Å; S240-Y244 WeakPolarHBondContact O-CB 3.25Å; S240-Y244 PolarHBondContact O-N 3.15Å; Y244-G246 PolarHBondContact O-N 2.96Å; Y244-M247 PolarHBondContact O-N 3.14Å; Y244-M247 VanDerWaalsContact O-N 3.07Å; Y244-S248 WeakPolarHBondContact O-CB 3.37Å; Y244-S248 PolarHBondContact O-N 3.3Å; Y244-S248 PolarHBondContact OH-OG 3.15Å; Y244-F251 HydrophobicContact CD1-CB 4.4Å; Y244-F251 AromaticContact CD1-CD2 3.83Å; Y244-F251 HydrophobicContact CD1-CD2 3.83Å; Y244-F251 HydrophobicContact CD1-CE2 4.25Å; Y244-F251 HydrophobicContact CD1-CG 4.13Å; Y244-F251 HydrophobicContact CE1-CB 4.05Å; Y244-F251 AromaticContact CE1-CD2 3.59Å; Y244-F251 HydrophobicContact CE1-CD2 3.59Å; Y244-F251 HydrophobicContact CE1-CE2 4.3Å; Y244-F251 HydrophobicContact CE1-CG 4.05Å; Y244-S296 PolarHBondContact OH-O 2.94Å; Y244-F297 HydrophobicContact CD1-CE1 4.42Å; Y244-F297 AromaticContact CE1-CD1 3.68Å; Y244-F297 HydrophobicContact CE1-CD1 3.68Å; Y244-F297 AromaticContact CE1-CE1 3.65Å; Y244-F297 HydrophobicContact CE1-CE1 3.65Å; Y244-F297 AromaticContact CZ-CD1 3.76Å; Y244-F297 WeakPolarHBondContact OH-CA 3.29Å; Y244-F297 WeakPolarHBondContact OH-CD1 3.48Å; Y244-P467 HydrophobicContact CD2-CG 3.81Å; Y244-P467 HydrophobicContact CE2-CB 4.07Å; Y244-P467 HydrophobicContact CE2-CG 3.82Å
245	M	98.7	Very high	98.7	Very high	46 Å²	46	37.7 Å²	37.7	23%	0.227	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-36.7	174.8	-170.7	76.8	69.4	0	0	111.9	D241 D243 F251 Y252 V255 I287	D241-M245 WeakPolarHBondContact O-CB 3.43Å; D241-M245 PolarHBondContact O-N 3.31Å; D241-M245 VanDerWaalsContact O-N 3.12Å; D243-M245 VanDerWaalsContact C-N 3.34Å; D243-M245 PolarHBondContact O-N 3.09Å; M245-F251 HydrophobicContact CE-CD1 3.86Å; M245-F251 HydrophobicContact CE-CE1 3.62Å; M245-F251 HydrophobicContact SD-CD1 3.63Å; M245-F251 HydrophobicContact SD-CE1 4.06Å; M245-Y252 HydrophobicContact SD-CD2 3.65Å; M245-Y252 HydrophobicContact SD-CG 4.21Å; M245-V255 HydrophobicContact CE-CG2 4.28Å; M245-V255 HydrophobicContact SD-CG2 4.41Å; M245-I287 HydrophobicContact CE-CD1 4.12Å; M245-I287 HydrophobicContact CE-CG1 4.17Å; M245-I287 HydrophobicContact CE-CG2 4.09Å
246	G	98	Very high	98.7	Very high	75 Å²	75	39 Å²	39	77%	0.773	22%	0.218	S	C	*	.	H	α-helix	trans	-79.7	-14.1	179.7	0	0	0	0	0	114.8	D243 Y244	D243-G246 PolarHBondContact O-N 3.44Å; Y244-G246 PolarHBondContact O-N 2.96Å
247	M	97.8	Very high	98.7	Very high	119 Å²	119	43 Å²	43	59%	0.586	24%	0.235	S	C	*	.	H	α-helix	trans	-115.7	-11.9	-171.5	-56.9	-178.8	82.1	0	0	113.7	Y244	Y244-M247 PolarHBondContact O-N 3.14Å; Y244-M247 VanDerWaalsContact O-N 3.07Å
248	S	98.6	Very high	98.7	Very high	15 Å²	15	43 Å²	43	11%	0.105	24%	0.235	C	C	.	.			trans	-95.9	126.7	-178.7	-177	0	0	0	0	113	Y244 G250 F251 S296	Y244-S248 WeakPolarHBondContact O-CB 3.37Å; Y244-S248 PolarHBondContact O-N 3.3Å; Y244-S248 PolarHBondContact OH-OG 3.15Å; S248-G250 PolarHBondContact O-N 3.02Å; S248-G250 PolarHBondContact OG-N 3.45Å; S248-F251 WeakPolarHBondContact OG-CB 3.38Å; S248-F251 PolarHBondContact OG-N 3.28Å; S248-S296 PolarHBondContact OG-O 2.7Å
249	S	98.4	Very high	98.7	Very high	72 Å²	72	46.3 Å²	46.3	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.1	174	67.1	0	0	0	0	113.8	K253 P298	S249-K253 VanDerWaalsContact O-CD 3.3Å; S249-K253 WeakPolarHBondContact O-CD 3.28Å; S249-K253 WeakPolarHBondContact O-CE 3.15Å; S249-K253 PolarHBondContact O-NZ 3.34Å; S249-P298 WeakPolarHBondContact OG-CG 3.21Å
250	G	98.6	Very high	98.7	Very high	9 Å²	9	54.5 Å²	54.5	9%	0.093	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-37.6	-176	0	0	0	0	0	114.5	S248 Y252 K253 N254 N295	S248-G250 PolarHBondContact O-N 3.02Å; S248-G250 PolarHBondContact OG-N 3.45Å; G250-Y252 PolarHBondContact O-N 2.98Å; G250-K253 WeakPolarHBondContact O-CB 3.43Å; G250-K253 PolarHBondContact O-N 3.19Å; G250-N254 PolarHBondContact O-N 3.09Å; G250-N295 WeakPolarHBondContact CA-O 3.27Å
251	F	98.9	Very high	98.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-56.3	-169.6	-164.3	-91.1	0	0	0	112.9	F239 Y244 M245 S248 K253 N254 V255 I287 A290 P291 F297	F239-F251 AromaticContact CE2-CE2 3.74Å; F239-F251 HydrophobicContact CE2-CE2 3.74Å; F239-F251 AromaticContact CE2-CZ 3.92Å; F239-F251 HydrophobicContact CE2-CZ 3.92Å; F239-F251 AromaticContact CZ-CE2 3.97Å; F239-F251 HydrophobicContact CZ-CE2 3.97Å; F239-F251 HydrophobicContact CZ-CZ 4.42Å; Y244-F251 HydrophobicContact CD1-CB 4.4Å; Y244-F251 AromaticContact CD1-CD2 3.83Å; Y244-F251 HydrophobicContact CD1-CD2 3.83Å; Y244-F251 HydrophobicContact CD1-CE2 4.25Å; Y244-F251 HydrophobicContact CD1-CG 4.13Å; Y244-F251 HydrophobicContact CE1-CB 4.05Å; Y244-F251 AromaticContact CE1-CD2 3.59Å; Y244-F251 HydrophobicContact CE1-CD2 3.59Å; Y244-F251 HydrophobicContact CE1-CE2 4.3Å; Y244-F251 HydrophobicContact CE1-CG 4.05Å; M245-F251 HydrophobicContact CE-CD1 3.86Å; M245-F251 HydrophobicContact CE-CE1 3.62Å; M245-F251 HydrophobicContact SD-CD1 3.63Å; M245-F251 HydrophobicContact SD-CE1 4.06Å; S248-F251 WeakPolarHBondContact OG-CB 3.38Å; S248-F251 PolarHBondContact OG-N 3.28Å; F251-K253 VanDerWaalsContact C-N 3.27Å; F251-K253 PolarHBondContact O-N 2.89Å; F251-N254 PolarHBondContact O-N 3.3Å; F251-V255 HydrophobicContact CD1-CG2 4.07Å; F251-V255 HydrophobicContact CE1-CG2 4.05Å; F251-V255 PolarHBondContact O-N 2.79Å; F251-I287 HydrophobicContact CE1-CG2 4.22Å; F251-I287 HydrophobicContact CZ-CG2 4.46Å; F251-A290 HydrophobicContact CE1-CB 4.44Å; F251-A290 HydrophobicContact CE2-CB 4.36Å; F251-A290 HydrophobicContact CZ-CB 4.24Å; F251-P291 HydrophobicContact CE2-CG 3.87Å; F251-P291 HydrophobicContact CZ-CG 4.1Å; F251-F297 HydrophobicContact CD2-CE1 4.49Å; F251-F297 HydrophobicContact CE2-CZ 4.39Å
252	Y	98.9	Very high	98.7	Very high	132 Å²	132	58.3 Å²	58.3	52%	0.518	31%	0.305	S	S	.	.	H	α-helix	trans	-64.2	-30.2	-178.9	-173.2	-115.4	0	0	0	113.1	M245 G250 N254 V255 V256	M245-Y252 HydrophobicContact SD-CD2 3.65Å; M245-Y252 HydrophobicContact SD-CG 4.21Å; G250-Y252 PolarHBondContact O-N 2.98Å; Y252-N254 VanDerWaalsContact C-N 3.29Å; Y252-N254 PolarHBondContact O-N 2.95Å; Y252-V255 HydrophobicContact CD2-CB 4.23Å; Y252-V255 HydrophobicContact CD2-CG1 4.4Å; Y252-V255 HydrophobicContact CE2-CG1 4.49Å; Y252-V255 WeakPolarHBondContact O-CB 3.29Å; Y252-V255 PolarHBondContact O-N 3.02Å; Y252-V256 HydrophobicContact CD1-CG2 4.12Å; Y252-V256 HydrophobicContact CD2-CG2 4.5Å; Y252-V256 HydrophobicContact CE1-CG2 3.69Å; Y252-V256 HydrophobicContact CE2-CG2 4.11Å; Y252-V256 WeakPolarHBondContact O-CG2 3.44Å; Y252-V256 PolarHBondContact O-N 3.35Å
253	K	98.9	Very high	98.7	Very high	136 Å²	136	59 Å²	59	59%	0.591	31%	0.312	S	S	*	.	H	α-helix	trans	-61.3	-40.7	174.3	-64.9	175.7	-178.7	154.8	0	111	S249 G250 F251 K257	S249-K253 VanDerWaalsContact O-CD 3.3Å; S249-K253 WeakPolarHBondContact O-CD 3.28Å; S249-K253 WeakPolarHBondContact O-CE 3.15Å; S249-K253 PolarHBondContact O-NZ 3.34Å; G250-K253 WeakPolarHBondContact O-CB 3.43Å; G250-K253 PolarHBondContact O-N 3.19Å; F251-K253 VanDerWaalsContact C-N 3.27Å; F251-K253 PolarHBondContact O-N 2.89Å; K253-K257 WeakPolarHBondContact O-CG 3.45Å; K253-K257 PolarHBondContact O-N 3.15Å
254	N	98.9	Very high	98.7	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-38.3	176.2	-77.7	-19.9	0	0	0	112.1	G250 F251 Y252 V256 K257 I258 A290 N295 S296 Y333	G250-N254 PolarHBondContact O-N 3.09Å; F251-N254 PolarHBondContact O-N 3.3Å; Y252-N254 VanDerWaalsContact C-N 3.29Å; Y252-N254 PolarHBondContact O-N 2.95Å; N254-V256 VanDerWaalsContact C-N 3.34Å; N254-V256 PolarHBondContact O-N 2.81Å; N254-K257 WeakPolarHBondContact O-CB 3.42Å; N254-K257 PolarHBondContact O-N 3.03Å; N254-I258 VanDerWaalsContact O-CD1 3.28Å; N254-I258 WeakPolarHBondContact O-CD1 3.18Å; N254-I258 WeakPolarHBondContact O-CG1 3.48Å; N254-I258 PolarHBondContact O-N 3.29Å; N254-A290 HydrophobicContact CB-CB 4.27Å; N254-N295 PolarHBondContact ND2-OD1 3.41Å; N254-S296 PolarHBondContact ND2-N 2.71Å; N254-S296 PolarHBondContact ND2-OG 3.48Å; N254-Y333 VanDerWaalsContact OD1-CE2 3.26Å; N254-Y333 WeakPolarHBondContact OD1-CE2 3.4Å; N254-Y333 PolarHBondContact OD1-OH 2.88Å
255	V	98.9	Very high	98.6	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-53.7	-51.4	171.2	175.1	0	0	0	0	110.7	M245 F251 Y252 K257 I258 Q259 A286 I287 A290	M245-V255 HydrophobicContact CE-CG2 4.28Å; M245-V255 HydrophobicContact SD-CG2 4.41Å; F251-V255 HydrophobicContact CD1-CG2 4.07Å; F251-V255 HydrophobicContact CE1-CG2 4.05Å; F251-V255 PolarHBondContact O-N 2.79Å; Y252-V255 HydrophobicContact CD2-CB 4.23Å; Y252-V255 HydrophobicContact CD2-CG1 4.4Å; Y252-V255 HydrophobicContact CE2-CG1 4.49Å; Y252-V255 WeakPolarHBondContact O-CB 3.29Å; Y252-V255 PolarHBondContact O-N 3.02Å; V255-K257 PolarHBondContact O-N 3.06Å; V255-I258 PolarHBondContact O-N 2.85Å; V255-I258 VanDerWaalsContact O-N 3.16Å; V255-Q259 HydrophobicContact CG1-CG 4.3Å; V255-Q259 WeakPolarHBondContact O-CG 3.34Å; V255-Q259 PolarHBondContact O-N 3.06Å; V255-A286 HydrophobicContact CG1-CB 4.2Å; V255-I287 HydrophobicContact CG1-CG1 4.14Å; V255-I287 HydrophobicContact CG2-CG1 4.34Å; V255-A290 HydrophobicContact CG2-CB 3.81Å
256	V	98.9	Very high	98.6	Very high	65 Å²	65	65.6 Å²	65.6	39%	0.394	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-41.2	179.3	174.3	0	0	0	0	112	Y252 N254 I258 Q259 K260	Y252-V256 HydrophobicContact CD1-CG2 4.12Å; Y252-V256 HydrophobicContact CD2-CG2 4.5Å; Y252-V256 HydrophobicContact CE1-CG2 3.69Å; Y252-V256 HydrophobicContact CE2-CG2 4.11Å; Y252-V256 WeakPolarHBondContact O-CG2 3.44Å; Y252-V256 PolarHBondContact O-N 3.35Å; N254-V256 VanDerWaalsContact C-N 3.34Å; N254-V256 PolarHBondContact O-N 2.81Å; V256-I258 VanDerWaalsContact C-N 3.3Å; V256-I258 PolarHBondContact O-N 2.91Å; V256-Q259 PolarHBondContact O-N 3.28Å; V256-K260 PolarHBondContact O-N 2.87Å; V256-K260 VanDerWaalsContact O-N 3.12Å
257	K	98.9	Very high	98.5	Very high	85 Å²	85	62.2 Å²	62.2	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-58	-43.4	174.4	-77.3	178.2	-177.2	-173.1	0	111.2	K253 N254 V255 H261 I331 Y333	K253-K257 WeakPolarHBondContact O-CG 3.45Å; K253-K257 PolarHBondContact O-N 3.15Å; N254-K257 WeakPolarHBondContact O-CB 3.42Å; N254-K257 PolarHBondContact O-N 3.03Å; V255-K257 PolarHBondContact O-N 3.06Å; K257-H261 PolarHBondContact O-ND1 2.99Å; K257-I331 HydrophobicContact CB-CD1 4.49Å; K257-I331 HydrophobicContact CB-CG2 4.15Å; K257-Y333 PolarHBondContact NZ-OH 3.15Å
258	I	98.9	Very high	98.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-70.2	-47.6	-179	-63.5	155.5	0	0	0	110.6	N254 V255 V256 K260 H261 V262 A286 A289 A290 F293 V327 I331	N254-I258 VanDerWaalsContact O-CD1 3.28Å; N254-I258 WeakPolarHBondContact O-CD1 3.18Å; N254-I258 WeakPolarHBondContact O-CG1 3.48Å; N254-I258 PolarHBondContact O-N 3.29Å; V255-I258 PolarHBondContact O-N 2.85Å; V255-I258 VanDerWaalsContact O-N 3.16Å; V256-I258 VanDerWaalsContact C-N 3.3Å; V256-I258 PolarHBondContact O-N 2.91Å; I258-K260 PolarHBondContact O-N 3.46Å; I258-H261 PolarHBondContact O-N 2.75Å; I258-V262 HydrophobicContact CG2-CG2 4.17Å; I258-V262 PolarHBondContact O-N 3.03Å; I258-A286 HydrophobicContact CB-CB 4.03Å; I258-A286 HydrophobicContact CG2-CB 3.75Å; I258-A289 HydrophobicContact CD1-CB 3.87Å; I258-A289 HydrophobicContact CG2-CB 4.22Å; I258-A290 HydrophobicContact CD1-CB 4.03Å; I258-F293 HydrophobicContact CD1-CD2 4.18Å; I258-F293 HydrophobicContact CD1-CE2 3.75Å; I258-F293 HydrophobicContact CG1-CE2 4.1Å; I258-V327 HydrophobicContact CB-CG1 4.41Å; I258-V327 HydrophobicContact CG1-CG1 4.17Å; I258-V327 HydrophobicContact CG2-CG1 4.29Å; I258-I331 HydrophobicContact CG1-CD1 4.15Å
259	Q	98.8	Very high	98.2	Very high	70 Å²	70	62.3 Å²	62.3	33%	0.327	32%	0.323	S	S	.	.	H	α-helix	trans	-53.9	-38.6	178.3	-74.4	176.5	-18.6	0	0	112.4	V255 V256 H261 V262 A286	V255-Q259 HydrophobicContact CG1-CG 4.3Å; V255-Q259 WeakPolarHBondContact O-CG 3.34Å; V255-Q259 PolarHBondContact O-N 3.06Å; V256-Q259 PolarHBondContact O-N 3.28Å; Q259-H261 PolarHBondContact O-N 3.36Å; Q259-V262 PolarHBondContact O-N 2.86Å; Q259-A286 HydrophobicContact CG-CB 3.49Å; Q259-A286 VanDerWaalsContact CG-CB 3.49Å
260	K	98.8	Very high	97.9	Very high	174 Å²	174	61.9 Å²	61.9	76%	0.757	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.1	176.8	-174.3	176.2	179.7	-178.3	0	113.8	V256 I258	V256-K260 PolarHBondContact O-N 2.87Å; V256-K260 VanDerWaalsContact O-N 3.12Å; I258-K260 PolarHBondContact O-N 3.46Å
261	H	98.8	Very high	97.6	Very high	58 Å²	58	61.9 Å²	61.9	27%	0.269	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	5.4	-172.4	-61.6	90.4	0	0	0	114	K257 I258 Q259 V327 I331	K257-H261 PolarHBondContact O-ND1 2.99Å; I258-H261 PolarHBondContact O-N 2.75Å; Q259-H261 PolarHBondContact O-N 3.36Å; H261-V327 HydrophobicContact CB-CG1 4.2Å; H261-V327 HydrophobicContact CB-CG2 4.42Å; H261-I331 WeakPolarHBondContact ND1-CG2 3.2Å
262	V	98.5	Very high	97.4	Very high	25 Å²	25	64.6 Å²	64.6	15%	0.152	34%	0.34	C	S	.	.			trans	-122	115.2	175.9	-178.3	0	0	0	0	108.6	I258 Q259 Q266 V267 M323 V327	I258-V262 HydrophobicContact CG2-CG2 4.17Å; I258-V262 PolarHBondContact O-N 3.03Å; Q259-V262 PolarHBondContact O-N 2.86Å; V262-Q266 HydrophobicContact CG1-CB 4.41Å; V262-V267 HydrophobicContact CG1-CG1 3.54Å; V262-M323 HydrophobicContact CB-SD 4.45Å; V262-M323 HydrophobicContact CG1-CG 4.43Å; V262-M323 HydrophobicContact CG1-SD 3.72Å; V262-M323 HydrophobicContact CG2-CE 4.48Å; V262-M323 HydrophobicContact CG2-CG 4.07Å; V262-M323 HydrophobicContact CG2-SD 3.9Å; V262-V327 HydrophobicContact CG2-CG2 3.54Å
263	T	98.5	Very high	97.2	Very high	78 Å²	78	58.8 Å²	58.8	48%	0.479	32%	0.317	S	S	.	.			trans	-82.7	157.3	178	64.6	0	0	0	0	111.3	N265 Q266 V267	T263-N265 VanDerWaalsContact C-N 3.3Å; T263-N265 PolarHBondContact O-N 3.31Å; T263-Q266 WeakPolarHBondContact O-CB 3.37Å; T263-Q266 PolarHBondContact O-N 3.4Å; T263-Q266 VanDerWaalsContact O-N 3.1Å; T263-Q266 VanDerWaalsContact OG1-CG 3.32Å; T263-Q266 WeakPolarHBondContact OG1-CG 3.29Å; T263-Q266 PolarHBondContact OG1-N 2.89Å; T263-Q266 PolarHBondContact OG1-OE1 3.36Å; T263-V267 PolarHBondContact O-N 3.49Å
264	F	98.4	Very high	97.1	Very high	68 Å²	68	55.1 Å²	55.1	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-57.5	-43.6	174.7	-178.5	-146.8	0	0	0	112	Q266 V267 K268 F273 D275 I282	F264-Q266 PolarHBondContact O-N 3.26Å; F264-V267 HydrophobicContact CD2-CG2 3.72Å; F264-V267 HydrophobicContact CE2-CG2 4.43Å; F264-V267 WeakPolarHBondContact O-CG2 3.32Å; F264-V267 PolarHBondContact O-N 3.24Å; F264-K268 HydrophobicContact CD1-CD 4.13Å; F264-K268 HydrophobicContact CD2-CD 4.26Å; F264-K268 HydrophobicContact CD2-CG 3.8Å; F264-K268 HydrophobicContact CE1-CD 3.82Å; F264-K268 HydrophobicContact CE1-CG 4.32Å; F264-K268 HydrophobicContact CE2-CD 3.93Å; F264-K268 HydrophobicContact CE2-CG 3.49Å; F264-K268 VanDerWaalsContact CE2-CG 3.49Å; F264-K268 HydrophobicContact CG-CD 4.34Å; F264-K268 HydrophobicContact CG-CG 4.32Å; F264-K268 HydrophobicContact CZ-CD 3.7Å; F264-K268 HydrophobicContact CZ-CG 3.78Å; F264-K268 WeakPolarHBondContact O-CG 3.44Å; F264-K268 PolarHBondContact O-N 3.34Å; F264-F273 HydrophobicContact CE2-CB 4.29Å; F264-D275 WeakPolarHBondContact CE1-OD1 3.44Å; F264-D275 WeakPolarHBondContact CZ-OD1 3.39Å; F264-I282 HydrophobicContact CD2-CD1 4.2Å; F264-I282 HydrophobicContact CD2-CG1 4.28Å; F264-I282 HydrophobicContact CD2-CG2 3.59Å; F264-I282 HydrophobicContact CE2-CD1 3.62Å; F264-I282 HydrophobicContact CE2-CG1 3.79Å; F264-I282 HydrophobicContact CE2-CG2 4Å; F264-I282 HydrophobicContact CG-CG2 4.39Å; F264-I282 HydrophobicContact CZ-CD1 3.88Å; F264-I282 HydrophobicContact CZ-CG1 4.5Å
265	N	97.9	Very high	97	Very high	127 Å²	127	60.8 Å²	60.8	68%	0.679	34%	0.336	S	S	*	.	H	α-helix	trans	-56.2	-35.7	176.6	-74.9	-16.6	0	0	0	113.3	T263 G269	T263-N265 VanDerWaalsContact C-N 3.3Å; T263-N265 PolarHBondContact O-N 3.31Å; N265-G269 PolarHBondContact O-N 3.44Å; N265-G269 VanDerWaalsContact O-N 3.11Å
266	Q	97.8	Very high	96.9	Very high	66 Å²	66	66 Å²	66	31%	0.308	37%	0.373	S	S	.	.	H	α-helix	trans	-66.2	-47	175.5	-72.8	167.3	-72.3	0	0	111.2	V262 T263 F264 K268 G269 I270	V262-Q266 HydrophobicContact CG1-CB 4.41Å; T263-Q266 WeakPolarHBondContact O-CB 3.37Å; T263-Q266 PolarHBondContact O-N 3.4Å; T263-Q266 VanDerWaalsContact O-N 3.1Å; T263-Q266 VanDerWaalsContact OG1-CG 3.32Å; T263-Q266 WeakPolarHBondContact OG1-CG 3.29Å; T263-Q266 PolarHBondContact OG1-N 2.89Å; T263-Q266 PolarHBondContact OG1-OE1 3.36Å; F264-Q266 PolarHBondContact O-N 3.26Å; Q266-K268 VanDerWaalsContact C-N 3.33Å; Q266-K268 PolarHBondContact O-N 3.01Å; Q266-G269 PolarHBondContact O-N 3.33Å; Q266-G269 VanDerWaalsContact O-N 3.17Å; Q266-I270 HydrophobicContact CB-CD1 4.44Å; Q266-I270 WeakPolarHBondContact O-CB 3.45Å; Q266-I270 WeakPolarHBondContact O-CD1 3.46Å; Q266-I270 WeakPolarHBondContact O-CG1 3.47Å; Q266-I270 PolarHBondContact O-N 3.4Å
267	V	97.1	Very high	96.9	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.024	36%	0.364	C	S	.	.	H	α-helix	trans	-70.3	-28.3	179.1	-61	0	0	0	0	112.8	V262 T263 F264 F271 F273 I282 P285 M323	V262-V267 HydrophobicContact CG1-CG1 3.54Å; T263-V267 PolarHBondContact O-N 3.49Å; F264-V267 HydrophobicContact CD2-CG2 3.72Å; F264-V267 HydrophobicContact CE2-CG2 4.43Å; F264-V267 WeakPolarHBondContact O-CG2 3.32Å; F264-V267 PolarHBondContact O-N 3.24Å; V267-F271 HydrophobicContact CB-CD2 3.88Å; V267-F271 HydrophobicContact CB-CE2 4.44Å; V267-F271 HydrophobicContact CG1-CD2 4.09Å; V267-F271 HydrophobicContact CG1-CE2 4.15Å; V267-F271 WeakPolarHBondContact O-CA 3.44Å; V267-F271 WeakPolarHBondContact O-CB 3.33Å; V267-F271 PolarHBondContact O-N 3.42Å; V267-F273 HydrophobicContact CB-CD2 3.9Å; V267-F273 HydrophobicContact CB-CE2 4.29Å; V267-F273 HydrophobicContact CG2-CD2 3.95Å; V267-I282 HydrophobicContact CG2-CG2 4.09Å; V267-P285 HydrophobicContact CG1-CG 4.24Å; V267-M323 HydrophobicContact CG1-SD 4.37Å
268	K	95.3	Very high	96.9	Very high	67 Å²	67	63.2 Å²	63.2	29%	0.291	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-45.7	167.8	-64	-176.9	71.2	161.3	0	111.2	F264 Q266 G272 F273 D275	F264-K268 HydrophobicContact CD1-CD 4.13Å; F264-K268 HydrophobicContact CD2-CD 4.26Å; F264-K268 HydrophobicContact CD2-CG 3.8Å; F264-K268 HydrophobicContact CE1-CD 3.82Å; F264-K268 HydrophobicContact CE1-CG 4.32Å; F264-K268 HydrophobicContact CE2-CD 3.93Å; F264-K268 HydrophobicContact CE2-CG 3.49Å; F264-K268 VanDerWaalsContact CE2-CG 3.49Å; F264-K268 HydrophobicContact CG-CD 4.34Å; F264-K268 HydrophobicContact CG-CG 4.32Å; F264-K268 HydrophobicContact CZ-CD 3.7Å; F264-K268 HydrophobicContact CZ-CG 3.78Å; F264-K268 WeakPolarHBondContact O-CG 3.44Å; F264-K268 PolarHBondContact O-N 3.34Å; Q266-K268 VanDerWaalsContact C-N 3.33Å; Q266-K268 PolarHBondContact O-N 3.01Å; K268-G272 WeakPolarHBondContact O-CA 3.05Å; K268-G272 PolarHBondContact O-N 2.93Å; K268-F273 VanDerWaalsContact CG-O 3.29Å; K268-F273 WeakPolarHBondContact CG-O 3.35Å; K268-D275 IonicContact NZ-OD1 2.69Å; K268-D275 PolarHBondContact NZ-OD1 3.04Å; K268-D275 IonicContact NZ-OD2 3.64Å
269	G	93.9	Very high	96.9	Very high	70 Å²	70	70.2 Å²	70.2	72%	0.722	40%	0.4	S	S	*	.	H	α-helix	trans	-71.8	-33.1	-180	0	0	0	0	0	114.4	N265 Q266	N265-G269 PolarHBondContact O-N 3.44Å; N265-G269 VanDerWaalsContact O-N 3.11Å; Q266-G269 PolarHBondContact O-N 3.33Å; Q266-G269 VanDerWaalsContact O-N 3.17Å
270	I	91.6	Very high	96.8	Very high	62 Å²	62	67.8 Å²	67.8	32%	0.318	39%	0.393	S	S	.	.	H	α-helix	trans	-84.5	-41.4	-177.1	-64.1	165.2	0	0	0	111.6	Q266 P319 M323	Q266-I270 HydrophobicContact CB-CD1 4.44Å; Q266-I270 WeakPolarHBondContact O-CB 3.45Å; Q266-I270 WeakPolarHBondContact O-CD1 3.46Å; Q266-I270 WeakPolarHBondContact O-CG1 3.47Å; Q266-I270 PolarHBondContact O-N 3.4Å; I270-P319 HydrophobicContact CG2-CB 3.75Å; I270-M323 HydrophobicContact CD1-CB 4.11Å; I270-M323 HydrophobicContact CD1-CG 4.17Å
271	F	93.6	Very high	96.8	Very high	10 Å²	10	61.7 Å²	61.7	4%	0.044	37%	0.367	C	S	.	.	H	α-helix	trans	-117.2	-2.1	-169	-60.3	-71	0	0	0	113.9	P91 W92 V267 F273 P285 P319 Y320 M323	P91-F271 HydrophobicContact CG-CD1 4.25Å; P91-F271 HydrophobicContact CG-CE1 4.28Å; W92-F271 HydrophobicContact CH2-CB 3.77Å; W92-F271 AromaticContact CH2-CD1 3.84Å; W92-F271 HydrophobicContact CH2-CD1 3.84Å; W92-F271 HydrophobicContact CH2-CG 4.15Å; W92-F271 HydrophobicContact CZ3-CB 3.87Å; W92-F271 HydrophobicContact CZ3-CD1 4.1Å; W92-F271 HydrophobicContact CZ3-CG 4.47Å; W92-F271 VanDerWaalsContact CZ3-O 3.3Å; W92-F271 WeakPolarHBondContact CZ3-O 3.09Å; V267-F271 HydrophobicContact CB-CD2 3.88Å; V267-F271 HydrophobicContact CB-CE2 4.44Å; V267-F271 HydrophobicContact CG1-CD2 4.09Å; V267-F271 HydrophobicContact CG1-CE2 4.15Å; V267-F271 WeakPolarHBondContact O-CA 3.44Å; V267-F271 WeakPolarHBondContact O-CB 3.33Å; V267-F271 PolarHBondContact O-N 3.42Å; F271-F273 VanDerWaalsContact C-N 3.26Å; F271-F273 HydrophobicContact CB-CD1 4.4Å; F271-F273 HydrophobicContact CB-CD2 3.99Å; F271-F273 HydrophobicContact CB-CE1 4.17Å; F271-F273 HydrophobicContact CB-CE2 3.77Å; F271-F273 HydrophobicContact CB-CG 4.29Å; F271-F273 HydrophobicContact CB-CZ 3.85Å; F271-F273 HydrophobicContact CD2-CE2 4.08Å; F271-F273 HydrophobicContact CG-CE2 4.12Å; F271-F273 HydrophobicContact CG-CZ 4.3Å; F271-F273 PolarHBondContact O-N 3.39Å; F271-P285 HydrophobicContact CD2-CG 3.92Å; F271-P285 HydrophobicContact CE2-CB 3.71Å; F271-P285 HydrophobicContact CE2-CG 3.56Å; F271-P285 HydrophobicContact CZ-CB 3.99Å; F271-P285 HydrophobicContact CZ-CG 4.06Å; F271-P319 HydrophobicContact CE1-CB 4.01Å; F271-Y320 HydrophobicContact CD1-CE1 4.37Å; F271-Y320 AromaticContact CE1-CD1 3.62Å; F271-Y320 HydrophobicContact CE1-CD1 3.62Å; F271-Y320 AromaticContact CE1-CD2 3.96Å; F271-Y320 HydrophobicContact CE1-CD2 3.96Å; F271-Y320 AromaticContact CE1-CE1 3.54Å; F271-Y320 HydrophobicContact CE1-CE1 3.54Å; F271-Y320 AromaticContact CE1-CE2 3.89Å; F271-Y320 HydrophobicContact CE1-CE2 3.89Å; F271-Y320 AromaticContact CE1-CG 3.83Å; F271-Y320 HydrophobicContact CE1-CG 3.83Å; F271-Y320 AromaticContact CE1-CZ 3.68Å; F271-Y320 AromaticContact CZ-CD1 3.46Å; F271-Y320 HydrophobicContact CZ-CD1 3.46Å; F271-Y320 VanDerWaalsContact CZ-CD1 3.46Å; F271-Y320 AromaticContact CZ-CE1 3.67Å; F271-Y320 HydrophobicContact CZ-CE1 3.67Å; F271-Y320 AromaticContact CZ-CG 3.92Å; F271-Y320 HydrophobicContact CZ-CG 3.92Å; F271-M323 HydrophobicContact CE2-SD 4.11Å
272	G	94	Very high	96.8	Very high	56 Å²	56	60.6 Å²	60.6	58%	0.577	36%	0.363	S	S	*	.			trans	71.3	17.4	179.8	0	0	0	0	0	114.6	K268	K268-G272 WeakPolarHBondContact O-CA 3.05Å; K268-G272 PolarHBondContact O-N 2.93Å
273	F	95	Very high	96.8	Very high	11 Å²	11	61.4 Å²	61.4	5%	0.048	37%	0.37	C	S	.	.			trans	-61.8	151.8	176.8	-63.9	-36.4	0	0	0	112.5	W92 W207 F264 V267 K268 F271 K281 P285	W92-F273 AromaticContact CH2-CE1 3.66Å; W92-F273 HydrophobicContact CH2-CE1 3.66Å; W92-F273 AromaticContact CH2-CZ 3.75Å; W92-F273 HydrophobicContact CH2-CZ 3.75Å; W92-F273 HydrophobicContact CZ2-CE1 4.06Å; W92-F273 HydrophobicContact CZ2-CZ 4.16Å; W92-F273 HydrophobicContact CZ3-CE1 4.49Å; W207-F273 HydrophobicContact CH2-CE1 4.46Å; W207-F273 HydrophobicContact CH2-CZ 4.11Å; W207-F273 AromaticContact CZ2-CE1 3.72Å; W207-F273 HydrophobicContact CZ2-CE1 3.72Å; W207-F273 AromaticContact CZ2-CZ 3.77Å; W207-F273 HydrophobicContact CZ2-CZ 3.77Å; F264-F273 HydrophobicContact CE2-CB 4.29Å; V267-F273 HydrophobicContact CB-CD2 3.9Å; V267-F273 HydrophobicContact CB-CE2 4.29Å; V267-F273 HydrophobicContact CG2-CD2 3.95Å; K268-F273 VanDerWaalsContact CG-O 3.29Å; K268-F273 WeakPolarHBondContact CG-O 3.35Å; F271-F273 VanDerWaalsContact C-N 3.26Å; F271-F273 HydrophobicContact CB-CD1 4.4Å; F271-F273 HydrophobicContact CB-CD2 3.99Å; F271-F273 HydrophobicContact CB-CE1 4.17Å; F271-F273 HydrophobicContact CB-CE2 3.77Å; F271-F273 HydrophobicContact CB-CG 4.29Å; F271-F273 HydrophobicContact CB-CZ 3.85Å; F271-F273 HydrophobicContact CD2-CE2 4.08Å; F271-F273 HydrophobicContact CG-CE2 4.12Å; F271-F273 HydrophobicContact CG-CZ 4.3Å; F271-F273 PolarHBondContact O-N 3.39Å; F273-K281 WeakPolarHBondContact CE2-O 3.32Å; F273-K281 WeakPolarHBondContact CZ-O 3.29Å; F273-P285 HydrophobicContact CE2-CG 4.03Å
274	T	96.8	Very high	96.8	Very high	58 Å²	58	57.7 Å²	57.7	36%	0.356	35%	0.347	S	S	.	.			trans	-118.8	165.2	-178.7	65.5	0	0	0	0	110.8	S276 D277	T274-S276 PolarHBondContact O-N 3.48Å; T274-S276 VanDerWaalsContact O-N 3.15Å; T274-S276 PolarHBondContact OG1-OG 2.85Å; T274-D277 PolarHBondContact N-OD2 3.41Å; T274-D277 PolarHBondContact O-N 3.16Å; T274-D277 VanDerWaalsContact O-N 3.09Å; T274-D277 PolarHBondContact OG1-OD2 2.94Å
275	D	96.7	Very high	96.9	Very high	120 Å²	120	54.6 Å²	54.6	64%	0.642	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.8	178.3	-52.3	-23	0	0	0	112.2	F264 K268	F264-D275 WeakPolarHBondContact CE1-OD1 3.44Å; F264-D275 WeakPolarHBondContact CZ-OD1 3.39Å; K268-D275 IonicContact NZ-OD1 2.69Å; K268-D275 PolarHBondContact NZ-OD1 3.04Å; K268-D275 IonicContact NZ-OD2 3.64Å
276	S	97.7	Very high	96.9	Very high	110 Å²	110	48.8 Å²	48.8	77%	0.769	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.1	173.7	41.8	0	0	0	0	114.6	T274	T274-S276 PolarHBondContact O-N 3.48Å; T274-S276 VanDerWaalsContact O-N 3.15Å; T274-S276 PolarHBondContact OG1-OG 2.85Å
277	D	97.9	Very high	97	Very high	39 Å²	39	46.6 Å²	46.6	21%	0.209	29%	0.294	C	S	.	.	S	Bend	trans	-70.9	147.2	176.7	-74.9	-68.2	0	0	0	111.5	T274 K281 I282	T274-D277 PolarHBondContact N-OD2 3.41Å; T274-D277 PolarHBondContact O-N 3.16Å; T274-D277 VanDerWaalsContact O-N 3.09Å; T274-D277 PolarHBondContact OG1-OD2 2.94Å; D277-K281 HydrophobicContact CB-CD 4.39Å; D277-K281 IonicContact OD1-NZ 3.32Å; D277-I282 HydrophobicContact CB-CG1 4.31Å
278	S	98.5	Very high	97.1	Very high	54 Å²	54	47 Å²	47	38%	0.378	30%	0.295	S	S	.	.			trans	-65.3	148.7	178.5	75.9	0	0	0	0	111.2	G280 K281 I282	S278-G280 PolarHBondContact O-N 2.97Å; S278-G280 VanDerWaalsContact O-N 3.08Å; S278-K281 PolarHBondContact O-N 3.4Å; S278-K281 PolarHBondContact OG-N 2.9Å; S278-I282 PolarHBondContact O-N 3.2Å; S278-I282 VanDerWaalsContact O-N 3.12Å
279	I	98.6	Very high	97.2	Very high	148 Å²	148	43.8 Å²	43.8	76%	0.759	28%	0.281	S	S	*	.	H	α-helix	trans	-58.2	-25.3	177.1	60.6	172.7	0	0	0	113	S283	I279-S283 WeakPolarHBondContact O-CB 3.23Å; I279-S283 PolarHBondContact O-N 2.96Å; I279-S283 VanDerWaalsContact O-N 3.11Å; I279-S283 PolarHBondContact O-OG 3.08Å
280	G	98.6	Very high	97.5	Very high	18 Å²	18	40.4 Å²	40.4	19%	0.186	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-49.9	172.8	0	0	0	0	0	111.4	S278 I282 S283 F284	S278-G280 PolarHBondContact O-N 2.97Å; S278-G280 VanDerWaalsContact O-N 3.08Å; G280-I282 PolarHBondContact O-N 3.05Å; G280-S283 PolarHBondContact O-N 3.13Å; G280-S283 PolarHBondContact O-OG 3.43Å; G280-F284 WeakPolarHBondContact O-CB 3.43Å; G280-F284 PolarHBondContact O-N 2.89Å
281	K	98.4	Very high	97.8	Very high	46 Å²	46	37.5 Å²	37.5	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-45.3	175.8	-68.2	-176.1	176.5	179.7	0	112.1	L206 W207 F273 D277 S278 S283 F284 P285	L206-K281 HydrophobicContact CB-CG 4.44Å; L206-K281 WeakPolarHBondContact O-CE 3.26Å; W207-K281 HydrophobicContact CD2-CD 4.24Å; W207-K281 HydrophobicContact CD2-CG 4Å; W207-K281 HydrophobicContact CE3-CG 3.87Å; W207-K281 HydrophobicContact CH2-CB 3.69Å; W207-K281 HydrophobicContact CH2-CG 3.78Å; W207-K281 HydrophobicContact CZ2-CB 3.9Å; W207-K281 HydrophobicContact CZ2-CD 4.2Å; W207-K281 HydrophobicContact CZ2-CG 3.85Å; W207-K281 HydrophobicContact CZ3-CB 4.1Å; W207-K281 HydrophobicContact CZ3-CG 3.79Å; F273-K281 WeakPolarHBondContact CE2-O 3.32Å; F273-K281 WeakPolarHBondContact CZ-O 3.29Å; D277-K281 HydrophobicContact CB-CD 4.39Å; D277-K281 IonicContact OD1-NZ 3.32Å; S278-K281 PolarHBondContact O-N 3.4Å; S278-K281 PolarHBondContact OG-N 2.9Å; K281-S283 VanDerWaalsContact C-N 3.26Å; K281-S283 PolarHBondContact O-N 3.49Å; K281-F284 PolarHBondContact O-N 3.35Å; K281-P285 WeakPolarHBondContact O-CD 3.44Å
282	I	98.6	Very high	98.1	Very high	35 Å²	35	37.1 Å²	37.1	18%	0.179	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-36.9	-178.2	-66.7	170.4	0	0	0	111.7	F264 V267 D277 S278 G280	F264-I282 HydrophobicContact CD2-CD1 4.2Å; F264-I282 HydrophobicContact CD2-CG1 4.28Å; F264-I282 HydrophobicContact CD2-CG2 3.59Å; F264-I282 HydrophobicContact CE2-CD1 3.62Å; F264-I282 HydrophobicContact CE2-CG1 3.79Å; F264-I282 HydrophobicContact CE2-CG2 4Å; F264-I282 HydrophobicContact CG-CG2 4.39Å; F264-I282 HydrophobicContact CZ-CD1 3.88Å; F264-I282 HydrophobicContact CZ-CG1 4.5Å; V267-I282 HydrophobicContact CG2-CG2 4.09Å; D277-I282 HydrophobicContact CB-CG1 4.31Å; S278-I282 PolarHBondContact O-N 3.2Å; S278-I282 VanDerWaalsContact O-N 3.12Å; G280-I282 PolarHBondContact O-N 3.05Å
283	S	98.6	Very high	98.3	Very high	42 Å²	42	34.6 Å²	34.6	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-96.9	-13.9	-175.2	63.9	0	0	0	0	114.7	I279 G280 K281 P285 A286	I279-S283 WeakPolarHBondContact O-CB 3.23Å; I279-S283 PolarHBondContact O-N 2.96Å; I279-S283 VanDerWaalsContact O-N 3.11Å; I279-S283 PolarHBondContact O-OG 3.08Å; G280-S283 PolarHBondContact O-N 3.13Å; G280-S283 PolarHBondContact O-OG 3.43Å; K281-S283 VanDerWaalsContact C-N 3.26Å; K281-S283 PolarHBondContact O-N 3.49Å; S283-P285 VanDerWaalsContact C-N 3.34Å; S283-A286 WeakPolarHBondContact O-CB 3.13Å; S283-A286 PolarHBondContact O-N 2.9Å; S283-A286 VanDerWaalsContact O-N 3.14Å
284	F	98.9	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-37.2	177.3	174.3	-100	0	0	0	115	T200 E203 L206 W207 G280 K281 A286 I287 Q288 Y320	T200-F284 HydrophobicContact CG2-CE2 4.29Å; T200-F284 HydrophobicContact CG2-CZ 3.88Å; E203-F284 HydrophobicContact CB-CD2 4.05Å; E203-F284 HydrophobicContact CB-CE1 4.07Å; E203-F284 HydrophobicContact CB-CE2 3.49Å; E203-F284 VanDerWaalsContact CB-CE2 3.49Å; E203-F284 HydrophobicContact CB-CZ 3.5Å; E203-F284 VanDerWaalsContact CB-CZ 3.5Å; E203-F284 HydrophobicContact CG-CD1 4.09Å; E203-F284 HydrophobicContact CG-CD2 4.41Å; E203-F284 HydrophobicContact CG-CE1 3.63Å; E203-F284 HydrophobicContact CG-CE2 4.01Å; E203-F284 HydrophobicContact CG-CG 4.46Å; E203-F284 HydrophobicContact CG-CZ 3.59Å; L206-F284 HydrophobicContact CD1-CB 4.49Å; W207-F284 HydrophobicContact CH2-CB 3.95Å; W207-F284 AromaticContact CH2-CD1 3.92Å; W207-F284 HydrophobicContact CH2-CD1 3.92Å; W207-F284 HydrophobicContact CH2-CG 4.12Å; W207-F284 HydrophobicContact CZ3-CB 3.92Å; W207-F284 HydrophobicContact CZ3-CD1 4.01Å; W207-F284 AromaticContact CZ3-CG 3.91Å; W207-F284 HydrophobicContact CZ3-CG 3.91Å; G280-F284 WeakPolarHBondContact O-CB 3.43Å; G280-F284 PolarHBondContact O-N 2.89Å; K281-F284 PolarHBondContact O-N 3.35Å; F284-A286 PolarHBondContact O-N 3.36Å; F284-I287 HydrophobicContact CD2-CB 4.15Å; F284-I287 HydrophobicContact CD2-CD1 4.28Å; F284-I287 HydrophobicContact CE2-CB 4.26Å; F284-I287 HydrophobicContact CE2-CG2 4.34Å; F284-I287 WeakPolarHBondContact O-CA 3.32Å; F284-I287 WeakPolarHBondContact O-CB 3.5Å; F284-I287 PolarHBondContact O-N 2.92Å; F284-Q288 HydrophobicContact CE1-CB 4.16Å; F284-Q288 HydrophobicContact CZ-CB 4.09Å; F284-Q288 PolarHBondContact O-N 3.08Å; F284-Y320 HydrophobicContact CD1-CE1 4.24Å; F284-Y320 HydrophobicContact CE1-CE1 4.12Å
285	P	98.8	Very high	98.6	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-53.3	-27.3	177.5	-29.3	36	0	0	0	114.6	V267 F271 F273 K281 S283 A289 Y320 M323	V267-P285 HydrophobicContact CG1-CG 4.24Å; F271-P285 HydrophobicContact CD2-CG 3.92Å; F271-P285 HydrophobicContact CE2-CB 3.71Å; F271-P285 HydrophobicContact CE2-CG 3.56Å; F271-P285 HydrophobicContact CZ-CB 3.99Å; F271-P285 HydrophobicContact CZ-CG 4.06Å; F273-P285 HydrophobicContact CE2-CG 4.03Å; K281-P285 WeakPolarHBondContact O-CD 3.44Å; S283-P285 VanDerWaalsContact C-N 3.34Å; P285-A289 VanDerWaalsContact O-CB 3.26Å; P285-A289 WeakPolarHBondContact O-CB 3.45Å; P285-A289 PolarHBondContact O-N 3.33Å; P285-A289 VanDerWaalsContact O-N 3.14Å; P285-Y320 HydrophobicContact CB-CD1 4.04Å; P285-Y320 HydrophobicContact CB-CE1 4.02Å; P285-Y320 HydrophobicContact CG-CE1 4.09Å; P285-M323 HydrophobicContact CB-CE 3.62Å; P285-M323 HydrophobicContact CB-SD 3.96Å; P285-M323 WeakPolarHBondContact O-CE 3.44Å
286	A	98.9	Very high	98.7	Very high	6 Å²	6	27 Å²	27	5%	0.05	16%	0.161	C	C	.	.	H	α-helix	trans	-69.8	-32	174.4	0	0	0	0	0	113.3	V255 I258 Q259 S283 F284 A289 A290	V255-A286 HydrophobicContact CG1-CB 4.2Å; I258-A286 HydrophobicContact CB-CB 4.03Å; I258-A286 HydrophobicContact CG2-CB 3.75Å; Q259-A286 HydrophobicContact CG-CB 3.49Å; Q259-A286 VanDerWaalsContact CG-CB 3.49Å; S283-A286 WeakPolarHBondContact O-CB 3.13Å; S283-A286 PolarHBondContact O-N 2.9Å; S283-A286 VanDerWaalsContact O-N 3.14Å; F284-A286 PolarHBondContact O-N 3.36Å; A286-A289 PolarHBondContact O-N 2.78Å; A286-A290 PolarHBondContact O-N 3.16Å
287	I	98.9	Very high	98.7	Very high	20 Å²	20	21.8 Å²	21.8	10%	0.103	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-45.7	177.8	-58.4	178.2	0	0	0	109.8	Q198 D202 D241 M245 F251 V255 F284 A289 A290 P291	Q198-I287 PolarHBondContact NE2-O 3.44Å; D202-I287 VanDerWaalsContact OD2-CD1 3.29Å; D202-I287 WeakPolarHBondContact OD2-CD1 3.48Å; D241-I287 HydrophobicContact CB-CG2 4.49Å; M245-I287 HydrophobicContact CE-CD1 4.12Å; M245-I287 HydrophobicContact CE-CG1 4.17Å; M245-I287 HydrophobicContact CE-CG2 4.09Å; F251-I287 HydrophobicContact CE1-CG2 4.22Å; F251-I287 HydrophobicContact CZ-CG2 4.46Å; V255-I287 HydrophobicContact CG1-CG1 4.14Å; V255-I287 HydrophobicContact CG2-CG1 4.34Å; F284-I287 HydrophobicContact CD2-CB 4.15Å; F284-I287 HydrophobicContact CD2-CD1 4.28Å; F284-I287 HydrophobicContact CE2-CB 4.26Å; F284-I287 HydrophobicContact CE2-CG2 4.34Å; F284-I287 WeakPolarHBondContact O-CA 3.32Å; F284-I287 WeakPolarHBondContact O-CB 3.5Å; F284-I287 PolarHBondContact O-N 2.92Å; I287-A289 VanDerWaalsContact C-N 3.27Å; I287-A289 PolarHBondContact O-N 2.95Å; I287-A290 PolarHBondContact O-N 3.06Å; I287-P291 WeakPolarHBondContact O-CD 3.39Å
288	Q	98.9	Very high	98.7	Very high	11 Å²	11	20.7 Å²	20.7	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-25.4	175.8	-171.1	168.6	-21.7	0	0	113.4	Y163 F284 P291 Y320 F321	Y163-Q288 PolarHBondContact OH-O 2.83Å; F284-Q288 HydrophobicContact CE1-CB 4.16Å; F284-Q288 HydrophobicContact CZ-CB 4.09Å; F284-Q288 PolarHBondContact O-N 3.08Å; Q288-P291 WeakPolarHBondContact O-CD 3.46Å; Q288-Y320 HydrophobicContact CB-CD1 4.11Å; Q288-Y320 HydrophobicContact CB-CE1 4.4Å; Q288-Y320 HydrophobicContact CG-CD1 4.29Å; Q288-Y320 HydrophobicContact CG-CG 4.28Å; Q288-Y320 VanDerWaalsContact NE2-CD2 3.3Å; Q288-Y320 VanDerWaalsContact OE1-CZ 3.29Å; Q288-F321 HydrophobicContact CG-CE1 4.46Å; Q288-F321 HydrophobicContact CG-CZ 4.31Å
289	A	98.9	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-76.4	-36.2	175.9	0	0	0	0	0	113.1	I258 P285 A286 I287 P291 S292 M323 T324	I258-A289 HydrophobicContact CD1-CB 3.87Å; I258-A289 HydrophobicContact CG2-CB 4.22Å; P285-A289 VanDerWaalsContact O-CB 3.26Å; P285-A289 WeakPolarHBondContact O-CB 3.45Å; P285-A289 PolarHBondContact O-N 3.33Å; P285-A289 VanDerWaalsContact O-N 3.14Å; A286-A289 PolarHBondContact O-N 2.78Å; I287-A289 VanDerWaalsContact C-N 3.27Å; I287-A289 PolarHBondContact O-N 2.95Å; A289-P291 VanDerWaalsContact C-CD 3.45Å; A289-S292 WeakPolarHBondContact O-CB 3.44Å; A289-S292 PolarHBondContact O-N 2.91Å; A289-S292 PolarHBondContact O-OG 3.1Å; A289-M323 HydrophobicContact CB-CE 4.24Å; A289-T324 HydrophobicContact CB-CG2 3.97Å; A289-T324 WeakPolarHBondContact CB-OG1 3.4Å
290	A	98.9	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-57.2	-37.7	-172.7	0	0	0	0	0	115.5	F251 N254 V255 I258 A286 I287 S292 F293 S296	F251-A290 HydrophobicContact CE1-CB 4.44Å; F251-A290 HydrophobicContact CE2-CB 4.36Å; F251-A290 HydrophobicContact CZ-CB 4.24Å; N254-A290 HydrophobicContact CB-CB 4.27Å; V255-A290 HydrophobicContact CG2-CB 3.81Å; I258-A290 HydrophobicContact CD1-CB 4.03Å; A286-A290 PolarHBondContact O-N 3.16Å; I287-A290 PolarHBondContact O-N 3.06Å; A290-S292 PolarHBondContact O-N 3.17Å; A290-F293 PolarHBondContact O-N 3.18Å; A290-S296 WeakPolarHBondContact O-CB 3.42Å; A290-S296 PolarHBondContact O-OG 3.29Å
291	P	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-62.2	-12.6	175.6	-23	31	0	0	0	114.6	Y161 Y163 Q198 F239 F251 I287 Q288 A289 F293 F297	Y161-P291 PolarHBondContact OH-O 3.23Å; Y163-P291 HydrophobicContact CD1-CB 3.85Å; Y163-P291 HydrophobicContact CD2-CB 3.79Å; Y163-P291 HydrophobicContact CE1-CB 3.61Å; Y163-P291 HydrophobicContact CE1-CG 4.19Å; Y163-P291 HydrophobicContact CE2-CB 3.59Å; Y163-P291 HydrophobicContact CE2-CG 4Å; Y163-P291 HydrophobicContact CG-CB 3.97Å; Q198-P291 HydrophobicContact CB-CG 4.48Å; F239-P291 HydrophobicContact CZ-CB 4.31Å; F239-P291 HydrophobicContact CZ-CG 3.9Å; F251-P291 HydrophobicContact CE2-CG 3.87Å; F251-P291 HydrophobicContact CZ-CG 4.1Å; I287-P291 WeakPolarHBondContact O-CD 3.39Å; Q288-P291 WeakPolarHBondContact O-CD 3.46Å; A289-P291 VanDerWaalsContact C-CD 3.45Å; P291-F293 PolarHBondContact O-N 3.36Å; P291-F297 HydrophobicContact CB-CE2 4.12Å; P291-F297 HydrophobicContact CB-CZ 3.83Å
292	S	98.9	Very high	98.6	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-72	-7.6	176.2	-51.2	0	0	0	0	113.8	Y161 A289 A290 C309	Y161-S292 PolarHBondContact OH-O 3.46Å; A289-S292 WeakPolarHBondContact O-CB 3.44Å; A289-S292 PolarHBondContact O-N 2.91Å; A289-S292 PolarHBondContact O-OG 3.1Å; A290-S292 PolarHBondContact O-N 3.17Å; S292-C309 WeakPolarHBondContact O-CB 3.47Å
293	F	98.9	Very high	98.5	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.018	12%	0.117	C	C	.	.	S	Bend	trans	-119.6	125.9	-177.7	-51.1	-59.2	0	0	0	110.4	Y161 I258 A290 P291 N295 S296 T324 A328 I331 Y333	Y161-F293 PolarHBondContact OH-N 2.8Å; Y161-F293 VanDerWaalsContact OH-N 3.13Å; I258-F293 HydrophobicContact CD1-CD2 4.18Å; I258-F293 HydrophobicContact CD1-CE2 3.75Å; I258-F293 HydrophobicContact CG1-CE2 4.1Å; A290-F293 PolarHBondContact O-N 3.18Å; P291-F293 PolarHBondContact O-N 3.36Å; F293-N295 PolarHBondContact O-N 3.38Å; F293-S296 WeakPolarHBondContact O-CB 3.44Å; F293-S296 PolarHBondContact O-N 3.05Å; F293-S296 PolarHBondContact O-OG 3.2Å; F293-T324 HydrophobicContact CE2-CG2 4.07Å; F293-T324 HydrophobicContact CZ-CG2 3.68Å; F293-A328 HydrophobicContact CE1-CB 3.68Å; F293-A328 HydrophobicContact CZ-CB 3.93Å; F293-I331 HydrophobicContact CD2-CD1 4.37Å; F293-I331 HydrophobicContact CE2-CD1 3.87Å; F293-I331 HydrophobicContact CZ-CD1 4Å; F293-Y333 HydrophobicContact CB-CD2 3.8Å; F293-Y333 HydrophobicContact CB-CE2 3.99Å; F293-Y333 AromaticContact CD1-CD2 3.39Å; F293-Y333 HydrophobicContact CD1-CD2 3.39Å; F293-Y333 HydrophobicContact CD1-CE2 4.36Å; F293-Y333 AromaticContact CD1-CG 3.82Å; F293-Y333 HydrophobicContact CD1-CG 3.82Å; F293-Y333 AromaticContact CD2-CD2 3.86Å; F293-Y333 HydrophobicContact CD2-CD2 3.86Å; F293-Y333 HydrophobicContact CD2-CE2 4.21Å; F293-Y333 AromaticContact CE1-CD2 3.86Å; F293-Y333 HydrophobicContact CE1-CD2 3.86Å; F293-Y333 HydrophobicContact CE1-CG 4.28Å; F293-Y333 HydrophobicContact CE2-CD2 4.29Å; F293-Y333 AromaticContact CG-CD2 3.37Å; F293-Y333 HydrophobicContact CG-CD2 3.37Å; F293-Y333 AromaticContact CG-CE2 3.92Å; F293-Y333 HydrophobicContact CG-CE2 3.92Å; F293-Y333 HydrophobicContact CG-CG 4.19Å; F293-Y333 HydrophobicContact CZ-CD2 4.28Å
294	S	98.8	Very high	98.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-58.5	-40.2	-170	49.2	0	0	0	0	114	S296 F297 F301 R304	S294-S296 PolarHBondContact O-N 3.21Å; S294-F297 PolarHBondContact O-N 3.05Å; S294-F301 WeakPolarHBondContact O-CD2 3.44Å; S294-R304 PolarHBondContact OG-O 3.01Å
295	N	98.6	Very high	98.5	Very high	28 Å²	28	26 Å²	26	15%	0.15	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-71.8	2.6	179.1	70.8	-21.5	0	0	0	114.5	G250 N254 F293 F297 R304 T305 Y333	G250-N295 WeakPolarHBondContact CA-O 3.27Å; N254-N295 PolarHBondContact ND2-OD1 3.41Å; F293-N295 PolarHBondContact O-N 3.38Å; N295-F297 PolarHBondContact O-N 3.16Å; N295-R304 PolarHBondContact N-O 2.9Å; N295-T305 HydrophobicContact CB-CG2 4.16Å; N295-T305 WeakPolarHBondContact ND2-CG2 3.39Å; N295-Y333 PolarHBondContact ND2-OH 3.33Å; N295-Y333 PolarHBondContact OD1-OH 2.96Å
296	S	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-67.4	-18.1	160.2	-66.1	0	0	0	0	112.1	Y244 S248 N254 A290 F293 S294 P298	Y244-S296 PolarHBondContact OH-O 2.94Å; S248-S296 PolarHBondContact OG-O 2.7Å; N254-S296 PolarHBondContact ND2-N 2.71Å; N254-S296 PolarHBondContact ND2-OG 3.48Å; A290-S296 WeakPolarHBondContact O-CB 3.42Å; A290-S296 PolarHBondContact O-OG 3.29Å; F293-S296 WeakPolarHBondContact O-CB 3.44Å; F293-S296 PolarHBondContact O-N 3.05Å; F293-S296 PolarHBondContact O-OG 3.2Å; S294-S296 PolarHBondContact O-N 3.21Å; S296-P298 VanDerWaalsContact C-CD 3.45Å; S296-P298 WeakPolarHBondContact O-CD 3.32Å
297	F	98.8	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.			trans	-122.5	69.2	-179.4	-48.9	-79.4	0	0	0	111.5	V196 F237 F239 Y244 F251 P291 S294 N295 Q299 I300 F301	V196-F297 HydrophobicContact CB-CE1 4.3Å; V196-F297 HydrophobicContact CB-CE2 4.24Å; V196-F297 HydrophobicContact CB-CZ 3.99Å; V196-F297 HydrophobicContact CG1-CD1 4.2Å; V196-F297 HydrophobicContact CG1-CD2 4.1Å; V196-F297 HydrophobicContact CG1-CE1 4.17Å; V196-F297 HydrophobicContact CG1-CE2 4.05Å; V196-F297 HydrophobicContact CG1-CG 4.18Å; V196-F297 HydrophobicContact CG1-CZ 4.09Å; V196-F297 HydrophobicContact CG2-CE2 3.8Å; V196-F297 HydrophobicContact CG2-CZ 3.83Å; F237-F297 AromaticContact CD1-CD1 3.95Å; F237-F297 HydrophobicContact CD1-CD1 3.95Å; F237-F297 HydrophobicContact CD1-CE1 4.18Å; F237-F297 AromaticContact CE1-CD1 3.81Å; F237-F297 HydrophobicContact CE1-CD1 3.81Å; F237-F297 AromaticContact CE1-CE1 3.99Å; F237-F297 HydrophobicContact CE1-CE1 3.99Å; F239-F297 AromaticContact CD1-CE1 3.98Å; F239-F297 HydrophobicContact CD1-CE1 3.98Å; F239-F297 AromaticContact CE1-CE1 3.56Å; F239-F297 HydrophobicContact CE1-CE1 3.56Å; F239-F297 AromaticContact CE1-CZ 3.7Å; F239-F297 HydrophobicContact CE1-CZ 3.7Å; F239-F297 AromaticContact CZ-CE1 3.88Å; F239-F297 HydrophobicContact CZ-CE1 3.88Å; F239-F297 AromaticContact CZ-CZ 3.86Å; F239-F297 HydrophobicContact CZ-CZ 3.86Å; Y244-F297 HydrophobicContact CD1-CE1 4.42Å; Y244-F297 AromaticContact CE1-CD1 3.68Å; Y244-F297 HydrophobicContact CE1-CD1 3.68Å; Y244-F297 AromaticContact CE1-CE1 3.65Å; Y244-F297 HydrophobicContact CE1-CE1 3.65Å; Y244-F297 AromaticContact CZ-CD1 3.76Å; Y244-F297 WeakPolarHBondContact OH-CA 3.29Å; Y244-F297 WeakPolarHBondContact OH-CD1 3.48Å; F251-F297 HydrophobicContact CD2-CE1 4.49Å; F251-F297 HydrophobicContact CE2-CZ 4.39Å; P291-F297 HydrophobicContact CB-CE2 4.12Å; P291-F297 HydrophobicContact CB-CZ 3.83Å; S294-F297 PolarHBondContact O-N 3.05Å; N295-F297 PolarHBondContact O-N 3.16Å; F297-Q299 PolarHBondContact O-N 3.46Å; F297-Q299 VanDerWaalsContact O-N 3.11Å; F297-I300 HydrophobicContact CB-CB 4.14Å; F297-I300 HydrophobicContact CB-CD1 3.99Å; F297-I300 HydrophobicContact CB-CG1 4.27Å; F297-I300 HydrophobicContact CG-CD1 4.41Å; F297-I300 PolarHBondContact O-N 3.46Å; F297-F301 HydrophobicContact CB-CD2 3.96Å; F297-F301 HydrophobicContact CB-CE2 4.28Å; F297-F301 HydrophobicContact CD2-CD2 4.44Å; F297-F301 HydrophobicContact CD2-CE2 4.28Å; F297-F301 PolarHBondContact O-N 2.93Å
298	P	98.3	Very high	98.4	Very high	16 Å²	16	30 Å²	30	10%	0.104	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-24.7	-177.5	24.6	-33.6	0	0	0	113.2	S249 S296 I300 Q302	S249-P298 WeakPolarHBondContact OG-CG 3.21Å; S296-P298 VanDerWaalsContact C-CD 3.45Å; S296-P298 WeakPolarHBondContact O-CD 3.32Å; P298-I300 PolarHBondContact O-N 3.21Å; P298-Q302 WeakPolarHBondContact CA-O 3.47Å; P298-Q302 WeakPolarHBondContact O-CA 3.32Å; P298-Q302 PolarHBondContact O-N 3.27Å
299	Q	98.1	Very high	98.4	Very high	95 Å²	95	29.6 Å²	29.6	44%	0.444	15%	0.149	S	C	.	.	H	α-helix	trans	-75.8	-17.8	180	-38.8	-51.1	63.1	0	0	111.9	F297 P467 R468 E469	F297-Q299 PolarHBondContact O-N 3.46Å; F297-Q299 VanDerWaalsContact O-N 3.11Å; Q299-P467 HydrophobicContact CG-CB 3.99Å; Q299-R468 CarbonylContact O-C 3.46Å; Q299-E469 VanDerWaalsContact O-CA 3.28Å; Q299-E469 WeakPolarHBondContact O-CA 3.4Å; Q299-E469 PolarHBondContact O-N 3.46Å
300	I	98.4	Very high	98.4	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-104.1	-50.7	180	-57.9	171.3	0	0	0	109.9	V196 F237 F297 P298 R468 L470 F474	V196-I300 HydrophobicContact CG1-CD1 3.93Å; F237-I300 HydrophobicContact CB-CD1 3.73Å; F237-I300 HydrophobicContact CD1-CD1 3.77Å; F237-I300 HydrophobicContact CG-CD1 3.98Å; F297-I300 HydrophobicContact CB-CB 4.14Å; F297-I300 HydrophobicContact CB-CD1 3.99Å; F297-I300 HydrophobicContact CB-CG1 4.27Å; F297-I300 HydrophobicContact CG-CD1 4.41Å; F297-I300 PolarHBondContact O-N 3.46Å; P298-I300 PolarHBondContact O-N 3.21Å; I300-R468 WeakPolarHBondContact CG1-O 3.48Å; I300-L470 HydrophobicContact CD1-CD1 3.94Å; I300-L470 HydrophobicContact CD1-CG 4.31Å; I300-L470 HydrophobicContact CG1-CD1 4.22Å; I300-L470 HydrophobicContact CG1-CG 4.16Å; I300-L470 HydrophobicContact CG2-CB 4.47Å; I300-L470 HydrophobicContact CG2-CD1 3.85Å; I300-L470 HydrophobicContact CG2-CG 4.15Å; I300-F474 HydrophobicContact CG2-CE2 4.29Å; I300-F474 WeakPolarHBondContact O-CD2 3.35Å
301	F	98.3	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-113.4	5.8	-171.1	-53.4	-69	0	0	0	113.8	Y161 P194 S294 F297 D303 R304 I307 F474	Y161-F301 HydrophobicContact CD1-CE2 4.35Å; Y161-F301 HydrophobicContact CD1-CZ 4.02Å; Y161-F301 HydrophobicContact CD2-CE2 4.11Å; Y161-F301 AromaticContact CD2-CZ 3.97Å; Y161-F301 HydrophobicContact CD2-CZ 3.97Å; Y161-F301 HydrophobicContact CE2-CE2 4.41Å; Y161-F301 HydrophobicContact CG-CE1 4.38Å; Y161-F301 HydrophobicContact CG-CE2 4.08Å; Y161-F301 AromaticContact CG-CZ 3.59Å; Y161-F301 HydrophobicContact CG-CZ 3.59Å; P194-F301 HydrophobicContact CB-CZ 4.35Å; P194-F301 HydrophobicContact CG-CE1 3.85Å; P194-F301 HydrophobicContact CG-CZ 3.96Å; S294-F301 WeakPolarHBondContact O-CD2 3.44Å; F297-F301 HydrophobicContact CB-CD2 3.96Å; F297-F301 HydrophobicContact CB-CE2 4.28Å; F297-F301 HydrophobicContact CD2-CD2 4.44Å; F297-F301 HydrophobicContact CD2-CE2 4.28Å; F297-F301 PolarHBondContact O-N 2.93Å; F301-D303 PolarHBondContact O-N 3.44Å; F301-R304 VanDerWaalsContact O-CB 3.24Å; F301-R304 WeakPolarHBondContact O-CB 3.39Å; F301-R304 WeakPolarHBondContact O-CG 3.3Å; F301-R304 PolarHBondContact O-N 3.31Å; F301-R304 VanDerWaalsContact O-N 3.09Å; F301-I307 HydrophobicContact CD1-CG1 4.15Å; F301-I307 HydrophobicContact CD1-CG2 4.48Å; F301-I307 HydrophobicContact CE1-CG2 4.34Å; F301-F474 HydrophobicContact CD1-CD1 4.3Å; F301-F474 AromaticContact CD1-CD2 3.87Å; F301-F474 HydrophobicContact CD1-CD2 3.87Å; F301-F474 HydrophobicContact CD1-CE1 4.17Å; F301-F474 AromaticContact CD1-CE2 3.71Å; F301-F474 HydrophobicContact CD1-CE2 3.71Å; F301-F474 HydrophobicContact CD1-CG 4.17Å; F301-F474 AromaticContact CD1-CZ 3.91Å; F301-F474 HydrophobicContact CD1-CZ 3.91Å; F301-F474 HydrophobicContact CE1-CD2 4.38Å; F301-F474 HydrophobicContact CE1-CE1 4.09Å; F301-F474 AromaticContact CE1-CE2 3.76Å; F301-F474 HydrophobicContact CE1-CE2 3.76Å; F301-F474 AromaticContact CE1-CZ 3.63Å; F301-F474 HydrophobicContact CE1-CZ 3.63Å
302	Q	96.5	Very high	98.4	Very high	85 Å²	85	29.6 Å²	29.6	40%	0.397	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-133.1	-177.3	-53.1	171.3	20.4	0	0	110.5	P298	P298-Q302 WeakPolarHBondContact CA-O 3.47Å; P298-Q302 WeakPolarHBondContact O-CA 3.32Å; P298-Q302 PolarHBondContact O-N 3.27Å
303	D	97	Very high	98.4	Very high	147 Å²	147	29.9 Å²	29.9	79%	0.786	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	6.5	179.1	-66.5	-44	0	0	0	113.5	F301 T305	F301-D303 PolarHBondContact O-N 3.44Å; D303-T305 PolarHBondContact O-N 3.16Å
304	R	98	Very high	98.3	Very high	70 Å²	70	30.7 Å²	30.7	26%	0.264	16%	0.159	S	C	.	.			trans	-64.1	132.1	-179.4	-64.1	-75.1	-61.4	-92.6	0.4	110.5	S294 N295 F301 D306 I307 F474	S294-R304 PolarHBondContact OG-O 3.01Å; N295-R304 PolarHBondContact N-O 2.9Å; F301-R304 VanDerWaalsContact O-CB 3.24Å; F301-R304 WeakPolarHBondContact O-CB 3.39Å; F301-R304 WeakPolarHBondContact O-CG 3.3Å; F301-R304 PolarHBondContact O-N 3.31Å; F301-R304 VanDerWaalsContact O-N 3.09Å; R304-D306 IonicContact CZ-OD1 3.59Å; R304-D306 IonicContact CZ-OD2 2.91Å; R304-D306 IonicContact NE-OD1 3.61Å; R304-D306 PolarHBondContact NE-OD1 3.41Å; R304-D306 IonicContact NE-OD2 3.66Å; R304-D306 IonicContact NH2-OD1 2.73Å; R304-D306 PolarHBondContact NH2-OD1 3.42Å; R304-D306 IonicContact NH2-OD2 3.18Å; R304-D306 PolarHBondContact NH2-OD2 3.22Å; R304-I307 HydrophobicContact CB-CD1 4.18Å; R304-I307 HydrophobicContact CB-CG1 3.97Å; R304-F474 PolarHBondContact NH1-O 3.12Å
305	T	98.4	Very high	98.1	Very high	53 Å²	53	30.6 Å²	30.6	33%	0.325	16%	0.158	S	C	.	.			trans	-117.4	-0.9	-179.9	58.3	0	0	0	0	113.4	N295 D303 Y333 P334	N295-T305 HydrophobicContact CB-CG2 4.16Å; N295-T305 WeakPolarHBondContact ND2-CG2 3.39Å; D303-T305 PolarHBondContact O-N 3.16Å; T305-Y333 HydrophobicContact CG2-CD1 4.21Å; T305-Y333 HydrophobicContact CG2-CE1 3.64Å; T305-P334 WeakPolarHBondContact O-CD 3.42Å
306	D	98.1	Very high	97.9	Very high	90 Å²	90	29.7 Å²	29.7	48%	0.481	15%	0.153	S	C	.	.			trans	-106.5	-2.3	-170.2	65.1	-48.4	0	0	0	113.4	R304 Q308	R304-D306 IonicContact CZ-OD1 3.59Å; R304-D306 IonicContact CZ-OD2 2.91Å; R304-D306 IonicContact NE-OD1 3.61Å; R304-D306 PolarHBondContact NE-OD1 3.41Å; R304-D306 IonicContact NE-OD2 3.66Å; R304-D306 IonicContact NH2-OD1 2.73Å; R304-D306 PolarHBondContact NH2-OD1 3.42Å; R304-D306 IonicContact NH2-OD2 3.18Å; R304-D306 PolarHBondContact NH2-OD2 3.22Å; D306-Q308 PolarHBondContact O-N 2.84Å
307	I	98.4	Very high	97.8	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-69.2	121.9	178.4	-44.6	-66.5	0	0	0	108.6	P159 Y161 F301 R304 C309 F474	P159-I307 HydrophobicContact CB-CD1 4.36Å; P159-I307 HydrophobicContact CB-CG2 4.34Å; P159-I307 HydrophobicContact CG-CD1 3.57Å; P159-I307 HydrophobicContact CG-CG2 4.45Å; Y161-I307 HydrophobicContact CD1-CB 4.41Å; Y161-I307 HydrophobicContact CD1-CG2 3.86Å; F301-I307 HydrophobicContact CD1-CG1 4.15Å; F301-I307 HydrophobicContact CD1-CG2 4.48Å; F301-I307 HydrophobicContact CE1-CG2 4.34Å; R304-I307 HydrophobicContact CB-CD1 4.18Å; R304-I307 HydrophobicContact CB-CG1 3.97Å; I307-C309 PolarHBondContact O-N 3.49Å; I307-F474 HydrophobicContact CD1-CD1 4.14Å
308	Q	98.6	Very high	97.7	Very high	19 Å²	19	32 Å²	32	9%	0.089	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.7	179.4	179.9	62.2	52.1	0	0	110.4	V150 F160 Y161 D306 K335	V150-Q308 HydrophobicContact CG2-CG 3.89Å; F160-Q308 CarbonylContact C-O 3.44Å; F160-Q308 WeakPolarHBondContact CA-O 3.29Å; F160-Q308 HydrophobicContact CB-CB 3.78Å; F160-Q308 HydrophobicContact CB-CG 4.25Å; F160-Q308 VanDerWaalsContact CB-O 3.25Å; F160-Q308 WeakPolarHBondContact CB-O 3.26Å; Y161-Q308 WeakPolarHBondContact CD1-O 3.4Å; Y161-Q308 PolarHBondContact N-O 3.48Å; D306-Q308 PolarHBondContact O-N 2.84Å; Q308-K335 PolarHBondContact NE2-O 3.4Å
309	C	98.9	Very high	97.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135	173.5	-177	0	0	0	0	109.8	Y161 S292 I307 P336 A337	Y161-C309 HydrophobicContact CD1-CB 4.26Å; Y161-C309 HydrophobicContact CE1-CB 3.54Å; Y161-C309 HydrophobicContact CE2-CB 4.43Å; S292-C309 WeakPolarHBondContact O-CB 3.47Å; I307-C309 PolarHBondContact O-N 3.49Å; C309-P336 HydrophobicContact CB-CB 4.14Å; C309-A337 PolarHBondContact O-N 2.94Å
310	L	98.9	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.2	168.9	172.6	62.3	0	0	0	109.6	M147 V150 F160 Y161 L162 Y163 L187 P312 A337 L339	M147-L310 HydrophobicContact CE-CD2 4.14Å; M147-L310 HydrophobicContact SD-CD1 3.91Å; M147-L310 HydrophobicContact SD-CD2 3.92Å; V150-L310 HydrophobicContact CG1-CD2 4.29Å; V150-L310 HydrophobicContact CG2-CB 4.21Å; V150-L310 HydrophobicContact CG2-CD1 4.35Å; F160-L310 HydrophobicContact CD2-CB 4.16Å; F160-L310 HydrophobicContact CE2-CB 4.25Å; F160-L310 HydrophobicContact CE2-CD2 4.12Å; Y161-L310 PolarHBondContact O-N 3.25Å; L162-L310 WeakPolarHBondContact CA-O 3.4Å; L162-L310 HydrophobicContact CD2-CB 4.08Å; L162-L310 HydrophobicContact CD2-CD2 3.82Å; L162-L310 HydrophobicContact CD2-CG 3.97Å; Y163-L310 PolarHBondContact N-O 2.64Å; L187-L310 HydrophobicContact CD1-CD2 4.45Å; L310-P312 WeakPolarHBondContact O-CD 3.17Å; L310-A337 HydrophobicContact CD1-CB 3.94Å; L310-L339 HydrophobicContact CD1-CD1 4.15Å; L310-L339 HydrophobicContact CD1-CG 4.08Å; L310-L339 HydrophobicContact CD2-CD1 4.06Å
311	I	98.9	Very high	97.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	103.2	-175.5	-51.5	178.1	0	0	0	110.9	Y163 F321 P336 A337 L338 L339	Y163-I311 HydrophobicContact CD1-CD1 3.6Å; Y163-I311 HydrophobicContact CD1-CG1 3.76Å; Y163-I311 HydrophobicContact CD1-CG2 4.47Å; Y163-I311 HydrophobicContact CE1-CD1 3.98Å; Y163-I311 HydrophobicContact CG-CG1 4.41Å; Y163-I311 VanDerWaalsContact O-CA 3.27Å; Y163-I311 WeakPolarHBondContact O-CA 3.49Å; Y163-I311 WeakPolarHBondContact O-CG2 3.39Å; I311-F321 HydrophobicContact CD1-CD1 3.49Å; I311-F321 VanDerWaalsContact CD1-CD1 3.49Å; I311-F321 HydrophobicContact CD1-CD2 4.41Å; I311-F321 HydrophobicContact CD1-CE1 3.64Å; I311-F321 HydrophobicContact CD1-CE2 4.49Å; I311-F321 HydrophobicContact CD1-CG 3.91Å; I311-F321 HydrophobicContact CD1-CZ 4.13Å; I311-F321 HydrophobicContact CG2-CD2 4.12Å; I311-F321 HydrophobicContact CG2-CE1 4.47Å; I311-F321 HydrophobicContact CG2-CE2 3.7Å; I311-F321 HydrophobicContact CG2-CZ 3.9Å; I311-P336 HydrophobicContact CD1-CB 3.66Å; I311-P336 HydrophobicContact CD1-CG 4.21Å; I311-P336 HydrophobicContact CG1-CB 4.2Å; I311-A337 PolarHBondContact N-O 3.42Å; I311-L338 HydrophobicContact CB-CG 4.25Å; I311-L338 WeakPolarHBondContact O-CA 3.49Å; I311-L339 PolarHBondContact O-N 3Å
312	P	98.8	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.2	168.8	-8.3	27.6	0	0	0	110	F141 L162 Y163 T164 F183 T184 L187 L310 L339	F141-P312 HydrophobicContact CE1-CB 4.24Å; F141-P312 HydrophobicContact CZ-CB 4.43Å; L162-P312 HydrophobicContact CD2-CG 4.13Å; Y163-P312 VanDerWaalsContact O-CD 3.24Å; Y163-P312 WeakPolarHBondContact O-CD 3.45Å; T164-P312 PolarHBondContact OG1-O 2.94Å; F183-P312 HydrophobicContact CD1-CB 4.26Å; T184-P312 HydrophobicContact CG2-CG 4.41Å; T184-P312 WeakPolarHBondContact OG1-CB 3.46Å; T184-P312 WeakPolarHBondContact OG1-CG 3.19Å; L187-P312 HydrophobicContact CD1-CB 4.13Å; L187-P312 HydrophobicContact CD1-CG 3.52Å; L310-P312 WeakPolarHBondContact O-CD 3.17Å; P312-L339 WeakPolarHBondContact CA-O 3.25Å
313	C	98.3	Very high	97.8	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.054	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	167.4	178.5	58.2	0	0	0	0	111.4	Q317 L339 H340 S341	C313-Q317 HydrophobicContact CB-CB 3.99Å; C313-Q317 HydrophobicContact CB-CG 4.23Å; C313-L339 PolarHBondContact N-O 3.25Å; C313-H340 CarbonylContact O-C 3.54Å; C313-H340 VanDerWaalsContact O-CA 3.29Å; C313-H340 WeakPolarHBondContact O-CA 3.27Å; C313-S341 PolarHBondContact O-N 2.88Å
314	A	96.6	Very high	97.9	Very high	20 Å²	20	22.5 Å²	22.5	17%	0.165	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	151.4	161.4	0	0	0	0	0	109.4	D316 Q317 S341 F343	A314-D316 WeakPolarHBondContact CB-OD1 3.26Å; A314-D316 PolarHBondContact O-N 3.44Å; A314-D316 VanDerWaalsContact O-N 3.1Å; A314-Q317 PolarHBondContact O-N 3.12Å; A314-Q317 VanDerWaalsContact O-N 3.09Å; A314-S341 WeakPolarHBondContact CA-OG 3.14Å; A314-F343 HydrophobicContact CB-CD1 4.32Å; A314-F343 HydrophobicContact CB-CE1 4.15Å
315	I	96.1	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-64.5	-17.8	-170.6	-164.4	162	0	0	0	114.2	L107 F111 F142 Q317 D318 H340 S341 F343	L107-I315 HydrophobicContact CD2-CD1 3.87Å; L107-I315 HydrophobicContact CD2-CG1 4.27Å; L107-I315 HydrophobicContact CD2-CG2 3.57Å; L107-I315 HydrophobicContact CG-CD1 3.98Å; F111-I315 HydrophobicContact CD2-CD1 4.18Å; F111-I315 HydrophobicContact CD2-CG1 3.85Å; F111-I315 HydrophobicContact CE2-CG1 4.07Å; F142-I315 HydrophobicContact CE1-CD1 4.26Å; F142-I315 HydrophobicContact CE2-CD1 4.35Å; F142-I315 HydrophobicContact CZ-CD1 3.55Å; I315-Q317 PolarHBondContact O-N 3.3Å; I315-Q317 VanDerWaalsContact O-N 3.16Å; I315-D318 HydrophobicContact CG1-CB 4.47Å; I315-D318 WeakPolarHBondContact O-CB 3.38Å; I315-D318 PolarHBondContact O-N 2.99Å; I315-D318 VanDerWaalsContact O-N 3.08Å; I315-H340 HydrophobicContact CB-CB 4Å; I315-H340 HydrophobicContact CD1-CB 4.27Å; I315-H340 HydrophobicContact CG1-CB 4.12Å; I315-S341 PolarHBondContact N-O 3.12Å; I315-F343 HydrophobicContact CG2-CE1 4.2Å; I315-F343 HydrophobicContact CG2-CE2 3.82Å; I315-F343 HydrophobicContact CG2-CZ 3.47Å; I315-F343 VanDerWaalsContact CG2-CZ 3.47Å
316	D	92.7	Very high	98	Very high	9 Å²	9	21.8 Å²	21.8	5%	0.048	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-61.1	-19.3	173.3	59.6	-25.7	0	0	0	113.4	V89 D90 P91 A314 P319 F343 K353	V89-D316 HydrophobicContact CG1-CB 4.33Å; D90-D316 WeakPolarHBondContact O-CB 3.35Å; P91-D316 WeakPolarHBondContact CA-O 3.46Å; P91-D316 WeakPolarHBondContact CG-O 3.39Å; A314-D316 WeakPolarHBondContact CB-OD1 3.26Å; A314-D316 PolarHBondContact O-N 3.44Å; A314-D316 VanDerWaalsContact O-N 3.1Å; D316-P319 VanDerWaalsContact O-CD 3.3Å; D316-P319 WeakPolarHBondContact O-CD 3.45Å; D316-F343 HydrophobicContact CB-CE1 3.63Å; D316-F343 HydrophobicContact CB-CZ 3.77Å; D316-K353 IonicContact OD2-NZ 2.69Å; D316-K353 PolarHBondContact OD2-NZ 2.97Å
317	Q	97	Very high	98	Very high	46 Å²	46	17.6 Å²	17.6	22%	0.215	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-87.9	-9.7	176.5	-57	-58.9	-56.7	0	0	113.9	C313 A314 I315 P319 Y320 F321	C313-Q317 HydrophobicContact CB-CB 3.99Å; C313-Q317 HydrophobicContact CB-CG 4.23Å; A314-Q317 PolarHBondContact O-N 3.12Å; A314-Q317 VanDerWaalsContact O-N 3.09Å; I315-Q317 PolarHBondContact O-N 3.3Å; I315-Q317 VanDerWaalsContact O-N 3.16Å; Q317-P319 VanDerWaalsContact C-N 3.31Å; Q317-Y320 PolarHBondContact O-N 3.44Å; Q317-F321 HydrophobicContact CB-CD2 4.39Å; Q317-F321 HydrophobicContact CB-CE2 3.97Å; Q317-F321 VanDerWaalsContact O-CD2 3.3Å; Q317-F321 WeakPolarHBondContact O-CD2 3.35Å
318	D	97.9	Very high	98	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.011	8%	0.084	C	C	.	.	H	α-helix	trans	-54.4	-35.8	179.4	-174.3	69.3	0	0	0	113.8	F111 R145 I315 Y320 F321 R322 H340	F111-D318 HydrophobicContact CD2-CB 3.93Å; F111-D318 HydrophobicContact CE2-CB 4.3Å; R145-D318 IonicContact CZ-OD1 2.74Å; R145-D318 IonicContact CZ-OD2 3.67Å; R145-D318 IonicContact NE-OD1 3.7Å; R145-D318 PolarHBondContact NE-OD1 2.78Å; R145-D318 IonicContact NE-OD2 2.7Å; R145-D318 IonicContact NH2-OD1 2.81Å; R145-D318 PolarHBondContact NH2-OD1 3.11Å; R145-D318 IonicContact NH2-OD2 3.67Å; R145-D318 PolarHBondContact NH2-OD2 2.83Å; I315-D318 HydrophobicContact CG1-CB 4.47Å; I315-D318 WeakPolarHBondContact O-CB 3.38Å; I315-D318 PolarHBondContact O-N 2.99Å; I315-D318 VanDerWaalsContact O-N 3.08Å; D318-Y320 VanDerWaalsContact C-N 3.3Å; D318-Y320 PolarHBondContact O-N 3.41Å; D318-F321 PolarHBondContact O-N 3.32Å; D318-R322 WeakPolarHBondContact O-CB 3.21Å; D318-R322 PolarHBondContact O-N 3.21Å; D318-H340 IonicContact OD1-CE1 2.66Å; D318-H340 PolarHBondContact OD1-CE1 3.49Å; D318-H340 VanDerWaalsContact OD1-CE1 3.26Å; D318-H340 IonicContact OD1-NE2 3.46Å; D318-H340 PolarHBondContact OD1-NE2 3.07Å
319	P	97.8	Very high	98	Very high	18 Å²	18	20.1 Å²	20.1	12%	0.117	10%	0.104	C	C	.	.	H	α-helix	trans	-53.6	-41.4	177.3	-30.1	38.6	0	0	0	114.2	P91 I270 F271 D316 Q317 F321 M323	P91-P319 HydrophobicContact CG-CG 4.47Å; I270-P319 HydrophobicContact CG2-CB 3.75Å; F271-P319 HydrophobicContact CE1-CB 4.01Å; D316-P319 VanDerWaalsContact O-CD 3.3Å; D316-P319 WeakPolarHBondContact O-CD 3.45Å; Q317-P319 VanDerWaalsContact C-N 3.31Å; P319-F321 PolarHBondContact O-N 2.96Å; P319-M323 PolarHBondContact O-N 3.4Å
320	Y	98.6	Very high	98	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-43.4	175.5	-71.5	-78.1	0	0	0	112.2	P91 F271 F284 P285 Q288 Q317 D318 M323 T324	P91-Y320 HydrophobicContact CB-CE2 3.71Å; P91-Y320 HydrophobicContact CG-CD2 4.05Å; P91-Y320 HydrophobicContact CG-CE2 3.51Å; F271-Y320 HydrophobicContact CD1-CE1 4.37Å; F271-Y320 AromaticContact CE1-CD1 3.62Å; F271-Y320 HydrophobicContact CE1-CD1 3.62Å; F271-Y320 AromaticContact CE1-CD2 3.96Å; F271-Y320 HydrophobicContact CE1-CD2 3.96Å; F271-Y320 AromaticContact CE1-CE1 3.54Å; F271-Y320 HydrophobicContact CE1-CE1 3.54Å; F271-Y320 AromaticContact CE1-CE2 3.89Å; F271-Y320 HydrophobicContact CE1-CE2 3.89Å; F271-Y320 AromaticContact CE1-CG 3.83Å; F271-Y320 HydrophobicContact CE1-CG 3.83Å; F271-Y320 AromaticContact CE1-CZ 3.68Å; F271-Y320 AromaticContact CZ-CD1 3.46Å; F271-Y320 HydrophobicContact CZ-CD1 3.46Å; F271-Y320 VanDerWaalsContact CZ-CD1 3.46Å; F271-Y320 AromaticContact CZ-CE1 3.67Å; F271-Y320 HydrophobicContact CZ-CE1 3.67Å; F271-Y320 AromaticContact CZ-CG 3.92Å; F271-Y320 HydrophobicContact CZ-CG 3.92Å; F284-Y320 HydrophobicContact CD1-CE1 4.24Å; F284-Y320 HydrophobicContact CE1-CE1 4.12Å; P285-Y320 HydrophobicContact CB-CD1 4.04Å; P285-Y320 HydrophobicContact CB-CE1 4.02Å; P285-Y320 HydrophobicContact CG-CE1 4.09Å; Q288-Y320 HydrophobicContact CB-CD1 4.11Å; Q288-Y320 HydrophobicContact CB-CE1 4.4Å; Q288-Y320 HydrophobicContact CG-CD1 4.29Å; Q288-Y320 HydrophobicContact CG-CG 4.28Å; Q288-Y320 VanDerWaalsContact NE2-CD2 3.3Å; Q288-Y320 VanDerWaalsContact OE1-CZ 3.29Å; Q317-Y320 PolarHBondContact O-N 3.44Å; D318-Y320 VanDerWaalsContact C-N 3.3Å; D318-Y320 PolarHBondContact O-N 3.41Å; Y320-M323 WeakPolarHBondContact O-CB 3.39Å; Y320-T324 WeakPolarHBondContact O-CB 3.42Å; Y320-T324 PolarHBondContact O-N 3.27Å; Y320-T324 PolarHBondContact O-OG1 3.4Å
321	F	98.6	Very high	98	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.022	13%	0.134	C	C	.	.	H	α-helix	trans	-87.7	-24.7	-172	-57	-55.5	0	0	0	112.9	Y163 Q288 I311 Q317 D318 P319 T324 R325 L338	Y163-F321 AromaticContact CE1-CE1 3.66Å; Y163-F321 HydrophobicContact CE1-CE1 3.66Å; Y163-F321 AromaticContact CE1-CZ 3.92Å; Y163-F321 HydrophobicContact CE1-CZ 3.92Å; Q288-F321 HydrophobicContact CG-CE1 4.46Å; Q288-F321 HydrophobicContact CG-CZ 4.31Å; I311-F321 HydrophobicContact CD1-CD1 3.49Å; I311-F321 VanDerWaalsContact CD1-CD1 3.49Å; I311-F321 HydrophobicContact CD1-CD2 4.41Å; I311-F321 HydrophobicContact CD1-CE1 3.64Å; I311-F321 HydrophobicContact CD1-CE2 4.49Å; I311-F321 HydrophobicContact CD1-CG 3.91Å; I311-F321 HydrophobicContact CD1-CZ 4.13Å; I311-F321 HydrophobicContact CG2-CD2 4.12Å; I311-F321 HydrophobicContact CG2-CE1 4.47Å; I311-F321 HydrophobicContact CG2-CE2 3.7Å; I311-F321 HydrophobicContact CG2-CZ 3.9Å; Q317-F321 HydrophobicContact CB-CD2 4.39Å; Q317-F321 HydrophobicContact CB-CE2 3.97Å; Q317-F321 VanDerWaalsContact O-CD2 3.3Å; Q317-F321 WeakPolarHBondContact O-CD2 3.35Å; D318-F321 PolarHBondContact O-N 3.32Å; P319-F321 PolarHBondContact O-N 2.96Å; F321-T324 PolarHBondContact O-N 3.26Å; F321-R325 WeakPolarHBondContact O-CB 3.11Å; F321-R325 WeakPolarHBondContact O-CG 3.29Å; F321-R325 PolarHBondContact O-N 3.49Å; F321-L338 HydrophobicContact CB-CD1 3.97Å; F321-L338 HydrophobicContact CB-CD2 3.46Å; F321-L338 VanDerWaalsContact CB-CD2 3.46Å; F321-L338 HydrophobicContact CB-CG 4.25Å; F321-L338 HydrophobicContact CD2-CD2 3.63Å; F321-L338 HydrophobicContact CG-CD2 3.84Å
322	R	98.2	Very high	97.9	Very high	117 Å²	117	30.6 Å²	30.6	44%	0.442	16%	0.163	S	C	.	.	H	α-helix	trans	-60.6	-47.6	164.8	-173.5	175.8	176.9	177	-0.1	110.1	F111 D318 T324 R325 D326	F111-R322 PolarHBondContact O-NH1 3.43Å; D318-R322 WeakPolarHBondContact O-CB 3.21Å; D318-R322 PolarHBondContact O-N 3.21Å; R322-T324 VanDerWaalsContact C-N 3.35Å; R322-T324 PolarHBondContact O-N 3.09Å; R322-R325 PolarHBondContact O-N 3.27Å; R322-D326 PolarHBondContact O-N 3.1Å
323	M	98.6	Very high	97.9	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-47.1	171.4	-176.5	-163.9	71.2	0	0	111.5	V262 V267 I270 F271 P285 A289 P319 Y320 R325 D326 V327	V262-M323 HydrophobicContact CB-SD 4.45Å; V262-M323 HydrophobicContact CG1-CG 4.43Å; V262-M323 HydrophobicContact CG1-SD 3.72Å; V262-M323 HydrophobicContact CG2-CE 4.48Å; V262-M323 HydrophobicContact CG2-CG 4.07Å; V262-M323 HydrophobicContact CG2-SD 3.9Å; V267-M323 HydrophobicContact CG1-SD 4.37Å; I270-M323 HydrophobicContact CD1-CB 4.11Å; I270-M323 HydrophobicContact CD1-CG 4.17Å; F271-M323 HydrophobicContact CE2-SD 4.11Å; P285-M323 HydrophobicContact CB-CE 3.62Å; P285-M323 HydrophobicContact CB-SD 3.96Å; P285-M323 WeakPolarHBondContact O-CE 3.44Å; A289-M323 HydrophobicContact CB-CE 4.24Å; P319-M323 PolarHBondContact O-N 3.4Å; Y320-M323 WeakPolarHBondContact O-CB 3.39Å; M323-R325 VanDerWaalsContact C-N 3.31Å; M323-R325 PolarHBondContact O-N 2.99Å; M323-D326 PolarHBondContact O-N 2.9Å; M323-V327 WeakPolarHBondContact O-CG2 3.45Å; M323-V327 PolarHBondContact O-N 2.92Å; M323-V327 VanDerWaalsContact O-N 3.14Å
324	T	98.9	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-41.4	-180	-56	0	0	0	0	112.1	A289 F293 Y320 F321 R322 D326 V327 A328 P336	A289-T324 HydrophobicContact CB-CG2 3.97Å; A289-T324 WeakPolarHBondContact CB-OG1 3.4Å; F293-T324 HydrophobicContact CE2-CG2 4.07Å; F293-T324 HydrophobicContact CZ-CG2 3.68Å; Y320-T324 WeakPolarHBondContact O-CB 3.42Å; Y320-T324 PolarHBondContact O-N 3.27Å; Y320-T324 PolarHBondContact O-OG1 3.4Å; F321-T324 PolarHBondContact O-N 3.26Å; R322-T324 VanDerWaalsContact C-N 3.35Å; R322-T324 PolarHBondContact O-N 3.09Å; T324-D326 VanDerWaalsContact C-N 3.33Å; T324-D326 PolarHBondContact O-N 3.47Å; T324-V327 PolarHBondContact O-N 3.43Å; T324-A328 WeakPolarHBondContact O-CB 3.48Å; T324-A328 PolarHBondContact O-N 3.36Å; T324-P336 HydrophobicContact CG2-CG 3.99Å
325	R	98.8	Very high	98.1	Very high	26 Å²	26	36 Å²	36	10%	0.098	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-31.1	178.2	-73.3	170.6	59.4	75.3	2.7	113.2	D146 F321 R322 M323 P329 K335 P336	D146-R325 IonicContact OD1-NH2 3.93Å; D146-R325 IonicContact OD2-CZ 3.79Å; D146-R325 IonicContact OD2-NH1 2.85Å; D146-R325 PolarHBondContact OD2-NH1 3.12Å; D146-R325 IonicContact OD2-NH2 3.72Å; D146-R325 PolarHBondContact OD2-NH2 3.33Å; F321-R325 WeakPolarHBondContact O-CB 3.11Å; F321-R325 WeakPolarHBondContact O-CG 3.29Å; F321-R325 PolarHBondContact O-N 3.49Å; R322-R325 PolarHBondContact O-N 3.27Å; M323-R325 VanDerWaalsContact C-N 3.31Å; M323-R325 PolarHBondContact O-N 2.99Å; R325-P329 VanDerWaalsContact O-CD 3.23Å; R325-P329 WeakPolarHBondContact O-CD 3.29Å; R325-K335 HydrophobicContact CB-CB 4.5Å; R325-K335 HydrophobicContact CB-CD 4.26Å; R325-K335 HydrophobicContact CB-CG 4.38Å; R325-K335 HydrophobicContact CG-CB 4.17Å; R325-K335 VanDerWaalsContact O-CE 3.26Å; R325-K335 WeakPolarHBondContact O-CE 3.45Å; R325-P336 HydrophobicContact CG-CG 3.97Å; R325-P336 PolarHBondContact NH1-O 3.33Å
326	D	98.4	Very high	98.2	Very high	82 Å²	82	36 Å²	36	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-74.7	-30.4	174.6	-73	-18.6	0	0	0	112.2	R322 M323 T324 R330	R322-D326 PolarHBondContact O-N 3.1Å; M323-D326 PolarHBondContact O-N 2.9Å; T324-D326 VanDerWaalsContact C-N 3.33Å; T324-D326 PolarHBondContact O-N 3.47Å; D326-R330 PolarHBondContact O-NE 3.25Å
327	V	98.6	Very high	98.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-79.4	-41.9	177.7	172.8	0	0	0	0	112.1	I258 H261 V262 M323 T324 R330 I331	I258-V327 HydrophobicContact CB-CG1 4.41Å; I258-V327 HydrophobicContact CG1-CG1 4.17Å; I258-V327 HydrophobicContact CG2-CG1 4.29Å; H261-V327 HydrophobicContact CB-CG1 4.2Å; H261-V327 HydrophobicContact CB-CG2 4.42Å; V262-V327 HydrophobicContact CG2-CG2 3.54Å; M323-V327 WeakPolarHBondContact O-CG2 3.45Å; M323-V327 PolarHBondContact O-N 2.92Å; M323-V327 VanDerWaalsContact O-N 3.14Å; T324-V327 PolarHBondContact O-N 3.43Å; V327-R330 WeakPolarHBondContact O-CA 3.31Å; V327-R330 VanDerWaalsContact O-CB 3.31Å; V327-R330 WeakPolarHBondContact O-CB 3.5Å; V327-R330 PolarHBondContact O-N 3.12Å; V327-I331 HydrophobicContact CG1-CD1 4.04Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 HydrophobicContact CG1-CG2 4.22Å; V327-I331 PolarHBondContact O-N 2.94Å
328	A	98.8	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-43.9	-53.8	-173.6	0	0	0	0	0	114.9	F293 T324 R330 I331 G332 Y333 K335	F293-A328 HydrophobicContact CE1-CB 3.68Å; F293-A328 HydrophobicContact CZ-CB 3.93Å; T324-A328 WeakPolarHBondContact O-CB 3.48Å; T324-A328 PolarHBondContact O-N 3.36Å; A328-R330 VanDerWaalsContact C-N 3.27Å; A328-R330 PolarHBondContact O-N 2.9Å; A328-I331 VanDerWaalsContact O-CG1 3.29Å; A328-I331 WeakPolarHBondContact O-CG1 3.23Å; A328-I331 PolarHBondContact O-N 3.06Å; A328-G332 PolarHBondContact O-N 2.74Å; A328-Y333 CarbonylContact C-O 3.37Å; A328-Y333 PolarHBondContact O-N 3.2Å; A328-K335 HydrophobicContact CB-CG 4.2Å
329	P	98.6	Very high	98.6	Very high	76 Å²	76	33.3 Å²	33.3	49%	0.494	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-66.8	-25.4	179.9	26.8	-35.6	0	0	0	113.6	R325 I331 G332	R325-P329 VanDerWaalsContact O-CD 3.23Å; R325-P329 WeakPolarHBondContact O-CD 3.29Å; P329-I331 VanDerWaalsContact C-N 3.28Å; P329-I331 PolarHBondContact O-N 2.92Å; P329-G332 PolarHBondContact O-N 3.07Å
330	R	98.5	Very high	98.7	Very high	139 Å²	139	32.4 Å²	32.4	53%	0.525	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-72.8	-24.4	178.8	-54.2	178.5	-171.2	176.2	-0.5	112.3	D326 V327 A328	D326-R330 PolarHBondContact O-NE 3.25Å; V327-R330 WeakPolarHBondContact O-CA 3.31Å; V327-R330 VanDerWaalsContact O-CB 3.31Å; V327-R330 WeakPolarHBondContact O-CB 3.5Å; V327-R330 PolarHBondContact O-N 3.12Å; A328-R330 VanDerWaalsContact C-N 3.27Å; A328-R330 PolarHBondContact O-N 2.9Å
331	I	98.5	Very high	98.7	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.118	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-105.3	7.3	177.5	63.5	173.9	0	0	0	112.9	K257 I258 H261 F293 V327 A328 P329 Y333	K257-I331 HydrophobicContact CB-CD1 4.49Å; K257-I331 HydrophobicContact CB-CG2 4.15Å; I258-I331 HydrophobicContact CG1-CD1 4.15Å; H261-I331 WeakPolarHBondContact ND1-CG2 3.2Å; F293-I331 HydrophobicContact CD2-CD1 4.37Å; F293-I331 HydrophobicContact CE2-CD1 3.87Å; F293-I331 HydrophobicContact CZ-CD1 4Å; V327-I331 HydrophobicContact CG1-CD1 4.04Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 HydrophobicContact CG1-CG2 4.22Å; V327-I331 PolarHBondContact O-N 2.94Å; A328-I331 VanDerWaalsContact O-CG1 3.29Å; A328-I331 WeakPolarHBondContact O-CG1 3.23Å; A328-I331 PolarHBondContact O-N 3.06Å; P329-I331 VanDerWaalsContact C-N 3.28Å; P329-I331 PolarHBondContact O-N 2.92Å; I331-Y333 HydrophobicContact CD1-CD2 3.41Å; I331-Y333 VanDerWaalsContact CD1-CD2 3.41Å; I331-Y333 HydrophobicContact CD1-CE2 3.7Å; I331-Y333 HydrophobicContact CD1-CG 4.39Å; I331-Y333 HydrophobicContact CG1-CD2 3.63Å; I331-Y333 HydrophobicContact CG1-CE2 4.13Å; I331-Y333 HydrophobicContact CG1-CG 4.17Å
332	G	98.4	Very high	98.6	Very high	60 Å²	60	32.9 Å²	32.9	62%	0.619	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	27.1	173.8	0	0	0	0	0	115	A328 P329	A328-G332 PolarHBondContact O-N 2.74Å; P329-G332 PolarHBondContact O-N 3.07Å
333	Y	98.8	Very high	98.4	Very high	18 Å²	18	28.1 Å²	28.1	7%	0.071	15%	0.153	C	C	.	.			trans	-117	155.3	-178.8	-61.5	-26.1	0	0	0	112.5	N254 K257 F293 N295 T305 A328 I331	N254-Y333 VanDerWaalsContact OD1-CE2 3.26Å; N254-Y333 WeakPolarHBondContact OD1-CE2 3.4Å; N254-Y333 PolarHBondContact OD1-OH 2.88Å; K257-Y333 PolarHBondContact NZ-OH 3.15Å; F293-Y333 HydrophobicContact CB-CD2 3.8Å; F293-Y333 HydrophobicContact CB-CE2 3.99Å; F293-Y333 AromaticContact CD1-CD2 3.39Å; F293-Y333 HydrophobicContact CD1-CD2 3.39Å; F293-Y333 HydrophobicContact CD1-CE2 4.36Å; F293-Y333 AromaticContact CD1-CG 3.82Å; F293-Y333 HydrophobicContact CD1-CG 3.82Å; F293-Y333 AromaticContact CD2-CD2 3.86Å; F293-Y333 HydrophobicContact CD2-CD2 3.86Å; F293-Y333 HydrophobicContact CD2-CE2 4.21Å; F293-Y333 AromaticContact CE1-CD2 3.86Å; F293-Y333 HydrophobicContact CE1-CD2 3.86Å; F293-Y333 HydrophobicContact CE1-CG 4.28Å; F293-Y333 HydrophobicContact CE2-CD2 4.29Å; F293-Y333 AromaticContact CG-CD2 3.37Å; F293-Y333 HydrophobicContact CG-CD2 3.37Å; F293-Y333 AromaticContact CG-CE2 3.92Å; F293-Y333 HydrophobicContact CG-CE2 3.92Å; F293-Y333 HydrophobicContact CG-CG 4.19Å; F293-Y333 HydrophobicContact CZ-CD2 4.28Å; N295-Y333 PolarHBondContact ND2-OH 3.33Å; N295-Y333 PolarHBondContact OD1-OH 2.96Å; T305-Y333 HydrophobicContact CG2-CD1 4.21Å; T305-Y333 HydrophobicContact CG2-CE1 3.64Å; A328-Y333 CarbonylContact C-O 3.37Å; A328-Y333 PolarHBondContact O-N 3.2Å; I331-Y333 HydrophobicContact CD1-CD2 3.41Å; I331-Y333 VanDerWaalsContact CD1-CD2 3.41Å; I331-Y333 HydrophobicContact CD1-CE2 3.7Å; I331-Y333 HydrophobicContact CD1-CG 4.39Å; I331-Y333 HydrophobicContact CG1-CD2 3.63Å; I331-Y333 HydrophobicContact CG1-CE2 4.13Å; I331-Y333 HydrophobicContact CG1-CG 4.17Å
334	P	98.6	Very high	98.2	Very high	44 Å²	44	28.2 Å²	28.2	29%	0.286	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-64.8	150.2	172.8	28.5	-34.5	0	0	0	110.9	T305	T305-P334 WeakPolarHBondContact O-CD 3.42Å
335	K	98.9	Very high	98	Very high	80 Å²	80	28.7 Å²	28.7	35%	0.348	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-72.2	134.7	174.2	-67.8	-175.2	-178.7	-173.9	0	109.2	Q308 R325 A328	Q308-K335 PolarHBondContact NE2-O 3.4Å; R325-K335 HydrophobicContact CB-CB 4.5Å; R325-K335 HydrophobicContact CB-CD 4.26Å; R325-K335 HydrophobicContact CB-CG 4.38Å; R325-K335 HydrophobicContact CG-CB 4.17Å; R325-K335 VanDerWaalsContact O-CE 3.26Å; R325-K335 WeakPolarHBondContact O-CE 3.45Å; A328-K335 HydrophobicContact CB-CG 4.2Å
336	P	98.9	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-65.4	139.6	170.1	27.5	-33.9	0	0	0	110.2	C309 I311 T324 R325	C309-P336 HydrophobicContact CB-CB 4.14Å; I311-P336 HydrophobicContact CD1-CB 3.66Å; I311-P336 HydrophobicContact CD1-CG 4.21Å; I311-P336 HydrophobicContact CG1-CB 4.2Å; T324-P336 HydrophobicContact CG2-CG 3.99Å; R325-P336 HydrophobicContact CG-CG 3.97Å; R325-P336 PolarHBondContact NH1-O 3.33Å
337	A	98.9	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	157.8	168.5	0	0	0	0	0	109.8	R145 D146 V150 C309 L310 I311	R145-A337 CarbonylContact O-C 3.46Å; R145-A337 VanDerWaalsContact O-CA 3.26Å; R145-A337 WeakPolarHBondContact O-CA 3.4Å; R145-A337 WeakPolarHBondContact O-CB 3.44Å; D146-A337 HydrophobicContact CB-CB 4.2Å; V150-A337 HydrophobicContact CG2-CB 3.36Å; C309-A337 PolarHBondContact O-N 2.94Å; L310-A337 HydrophobicContact CD1-CB 3.94Å; I311-A337 PolarHBondContact N-O 3.42Å
338	L	98.9	Very high	97.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.7	-177.5	-72	98	0	0	0	112.4	H144 R145 I311 F321 H340	H144-L338 CarbonylContact C-O 3.57Å; H144-L338 WeakPolarHBondContact CA-O 3.47Å; H144-L338 VanDerWaalsContact CB-O 3.27Å; H144-L338 WeakPolarHBondContact CB-O 3.38Å; R145-L338 HydrophobicContact CB-CB 4.19Å; R145-L338 HydrophobicContact CB-CD1 4.15Å; R145-L338 HydrophobicContact CG-CB 4.44Å; R145-L338 HydrophobicContact CG-CD1 4.47Å; R145-L338 PolarHBondContact N-O 3.49Å; R145-L338 PolarHBondContact O-N 2.77Å; I311-L338 HydrophobicContact CB-CG 4.25Å; I311-L338 WeakPolarHBondContact O-CA 3.49Å; F321-L338 HydrophobicContact CB-CD1 3.97Å; F321-L338 HydrophobicContact CB-CD2 3.46Å; F321-L338 VanDerWaalsContact CB-CD2 3.46Å; F321-L338 HydrophobicContact CB-CG 4.25Å; F321-L338 HydrophobicContact CD2-CD2 3.63Å; F321-L338 HydrophobicContact CG-CD2 3.84Å; L338-H340 WeakPolarHBondContact CB-NE2 3.49Å; L338-H340 VanDerWaalsContact CD2-NE2 3.3Å; L338-H340 WeakPolarHBondContact CD2-NE2 3.3Å
339	L	98.9	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.4	163.8	-76.2	168.3	0	0	0	107.8	I116 F141 H144 M147 F183 L187 L310 I311 P312 C313	I116-L339 HydrophobicContact CD1-CD2 3.62Å; F141-L339 HydrophobicContact CD1-CB 3.85Å; F141-L339 HydrophobicContact CE1-CB 4.13Å; F141-L339 WeakPolarHBondContact CE1-O 3.49Å; H144-L339 HydrophobicContact CB-CD2 3.88Å; M147-L339 HydrophobicContact CE-CD1 4.34Å; M147-L339 HydrophobicContact CG-CD2 4.24Å; M147-L339 HydrophobicContact SD-CD1 3.85Å; M147-L339 HydrophobicContact SD-CD2 4.19Å; M147-L339 HydrophobicContact SD-CG 4.05Å; F183-L339 HydrophobicContact CE1-CB 4.35Å; F183-L339 HydrophobicContact CE1-CD1 3.83Å; F183-L339 HydrophobicContact CZ-CD1 4.3Å; L187-L339 HydrophobicContact CD1-CD1 4.08Å; L187-L339 HydrophobicContact CD2-CD1 4.4Å; L310-L339 HydrophobicContact CD1-CD1 4.15Å; L310-L339 HydrophobicContact CD1-CG 4.08Å; L310-L339 HydrophobicContact CD2-CD1 4.06Å; I311-L339 PolarHBondContact O-N 3Å; P312-L339 WeakPolarHBondContact CA-O 3.25Å; C313-L339 PolarHBondContact N-O 3.25Å
340	H	98.8	Very high	96.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.7	-174.4	-56	132.4	0	0	0	111.8	F141 F142 S143 C313 I315 D318 L338	F141-H340 WeakPolarHBondContact CA-O 3.14Å; F141-H340 VanDerWaalsContact CD1-C 3.49Å; F142-H340 WeakPolarHBondContact CD1-O 3.46Å; F142-H340 PolarHBondContact N-O 3.2Å; S143-H340 PolarHBondContact O-N 2.95Å; S143-H340 PolarHBondContact OG-ND1 2.81Å; C313-H340 CarbonylContact O-C 3.54Å; C313-H340 VanDerWaalsContact O-CA 3.29Å; C313-H340 WeakPolarHBondContact O-CA 3.27Å; I315-H340 HydrophobicContact CB-CB 4Å; I315-H340 HydrophobicContact CD1-CB 4.27Å; I315-H340 HydrophobicContact CG1-CB 4.12Å; D318-H340 IonicContact OD1-CE1 2.66Å; D318-H340 PolarHBondContact OD1-CE1 3.49Å; D318-H340 VanDerWaalsContact OD1-CE1 3.26Å; D318-H340 IonicContact OD1-NE2 3.46Å; D318-H340 PolarHBondContact OD1-NE2 3.07Å; L338-H340 WeakPolarHBondContact CB-NE2 3.49Å; L338-H340 VanDerWaalsContact CD2-NE2 3.3Å; L338-H340 WeakPolarHBondContact CD2-NE2 3.3Å
341	S	98.5	Very high	95.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	155.2	170.4	85.5	0	0	0	0	112.8	I140 C313 A314 I315	I140-S341 CarbonylContact O-C 3.32Å; I140-S341 WeakPolarHBondContact O-CA 3.5Å; C313-S341 PolarHBondContact O-N 2.88Å; A314-S341 WeakPolarHBondContact CA-OG 3.14Å; I315-S341 PolarHBondContact N-O 3.12Å
342	T	96.9	Very high	95.3	Very high	15 Å²	15	22.4 Å²	22.4	9%	0.092	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-64.3	167.3	160	61	0	0	0	0	110.2	Y104 I140 F142	Y104-T342 HydrophobicContact CD1-CG2 4.05Å; Y104-T342 HydrophobicContact CD2-CG2 3.78Å; Y104-T342 HydrophobicContact CE1-CG2 3.87Å; Y104-T342 HydrophobicContact CE2-CG2 3.6Å; Y104-T342 HydrophobicContact CG-CG2 4.01Å; Y104-T342 VanDerWaalsContact CZ-CB 3.46Å; I140-T342 PolarHBondContact O-N 2.83Å; F142-T342 HydrophobicContact CD1-CG2 3.62Å; F142-T342 HydrophobicContact CE1-CG2 3.98Å; F142-T342 HydrophobicContact CG-CG2 4.31Å
343	F	94.3	Very high	94.7	Very high	17 Å²	17	22 Å²	22	8%	0.075	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-81.6	145.7	173.1	-58	-61.9	0	0	0	111.5	V89 V94 I102 Y104 A314 I315 D316 K353	V89-F343 HydrophobicContact CG1-CE2 3.96Å; V89-F343 HydrophobicContact CG1-CZ 3.66Å; V89-F343 HydrophobicContact CG2-CE2 4.22Å; V94-F343 HydrophobicContact CB-CD2 4.48Å; V94-F343 HydrophobicContact CB-CE2 4.37Å; V94-F343 HydrophobicContact CG1-CD2 3.62Å; V94-F343 HydrophobicContact CG1-CE2 3.68Å; V94-F343 HydrophobicContact CG1-CG 4.25Å; V94-F343 HydrophobicContact CG1-CZ 4.39Å; V94-F343 HydrophobicContact CG2-CD1 4.15Å; V94-F343 HydrophobicContact CG2-CD2 4.11Å; V94-F343 HydrophobicContact CG2-CE1 3.77Å; V94-F343 HydrophobicContact CG2-CE2 3.7Å; V94-F343 HydrophobicContact CG2-CG 4.32Å; V94-F343 HydrophobicContact CG2-CZ 3.52Å; I102-F343 HydrophobicContact CG1-CD2 4.19Å; I102-F343 HydrophobicContact CG1-CE2 4.42Å; Y104-F343 HydrophobicContact CE1-CD2 4.06Å; Y104-F343 HydrophobicContact CE1-CE2 4.37Å; Y104-F343 PolarHBondContact OH-N 2.85Å; A314-F343 HydrophobicContact CB-CD1 4.32Å; A314-F343 HydrophobicContact CB-CE1 4.15Å; I315-F343 HydrophobicContact CG2-CE1 4.2Å; I315-F343 HydrophobicContact CG2-CE2 3.82Å; I315-F343 HydrophobicContact CG2-CZ 3.47Å; I315-F343 VanDerWaalsContact CG2-CZ 3.47Å; D316-F343 HydrophobicContact CB-CE1 3.63Å; D316-F343 HydrophobicContact CB-CZ 3.77Å; F343-K353 HydrophobicContact CB-CB 4.05Å; F343-K353 HydrophobicContact CD1-CB 4.38Å; F343-K353 HydrophobicContact CD1-CD 4.27Å; F343-K353 HydrophobicContact CG-CB 4.32Å
344	F	94.4	Very high	94.1	Very high	10 Å²	10	21.6 Å²	21.6	4%	0.044	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-83	119.7	167.7	-165.2	-99.1	0	0	0	108.7	V175 I179 M354 Y406 F409 F410	V175-F344 HydrophobicContact CG2-CD1 4.22Å; V175-F344 HydrophobicContact CG2-CE1 3.48Å; V175-F344 VanDerWaalsContact CG2-CE1 3.48Å; V175-F344 HydrophobicContact CG2-CZ 3.96Å; I179-F344 HydrophobicContact CD1-CD2 4.1Å; I179-F344 HydrophobicContact CG1-CB 4.3Å; I179-F344 HydrophobicContact CG1-CD2 4.08Å; I179-F344 HydrophobicContact CG1-CG 4.45Å; F344-M354 HydrophobicContact CD1-CB 4.22Å; F344-M354 HydrophobicContact CD1-CE 3.73Å; F344-M354 HydrophobicContact CD1-SD 4.02Å; F344-M354 HydrophobicContact CE1-CE 3.52Å; F344-M354 HydrophobicContact CE1-SD 4.2Å; F344-M354 PolarHBondContact O-N 3.24Å; F344-Y406 HydrophobicContact CD1-CD1 4.49Å; F344-Y406 AromaticContact CD1-CE1 3.88Å; F344-Y406 HydrophobicContact CD1-CE1 3.88Å; F344-Y406 AromaticContact CE1-CD1 3.67Å; F344-Y406 HydrophobicContact CE1-CD1 3.67Å; F344-Y406 AromaticContact CE1-CD2 3.97Å; F344-Y406 HydrophobicContact CE1-CD2 3.97Å; F344-Y406 AromaticContact CE1-CE1 3.22Å; F344-Y406 HydrophobicContact CE1-CE1 3.22Å; F344-Y406 AromaticContact CE1-CE2 3.58Å; F344-Y406 HydrophobicContact CE1-CE2 3.58Å; F344-Y406 HydrophobicContact CE1-CG 4.03Å; F344-Y406 AromaticContact CE1-CZ 3.2Å; F344-Y406 AromaticContact CE2-CD1 3.71Å; F344-Y406 HydrophobicContact CE2-CD1 3.71Å; F344-Y406 HydrophobicContact CE2-CE1 4.08Å; F344-Y406 HydrophobicContact CE2-CG 4.03Å; F344-Y406 AromaticContact CZ-CD1 3.2Å; F344-Y406 HydrophobicContact CZ-CD1 3.2Å; F344-Y406 AromaticContact CZ-CD2 3.56Å; F344-Y406 HydrophobicContact CZ-CD2 3.56Å; F344-Y406 AromaticContact CZ-CE1 3.33Å; F344-Y406 HydrophobicContact CZ-CE1 3.33Å; F344-Y406 AromaticContact CZ-CE2 3.69Å; F344-Y406 HydrophobicContact CZ-CE2 3.69Å; F344-Y406 AromaticContact CZ-CG 3.33Å; F344-Y406 HydrophobicContact CZ-CG 3.33Å; F344-Y406 AromaticContact CZ-CZ 3.6Å; F344-F409 HydrophobicContact CD2-CB 4.42Å; F344-F409 AromaticContact CD2-CD1 3.94Å; F344-F409 HydrophobicContact CD2-CD1 3.94Å; F344-F409 AromaticContact CD2-CD2 3.68Å; F344-F409 HydrophobicContact CD2-CD2 3.68Å; F344-F409 HydrophobicContact CD2-CE1 4.04Å; F344-F409 AromaticContact CD2-CE2 3.84Å; F344-F409 HydrophobicContact CD2-CE2 3.84Å; F344-F409 AromaticContact CD2-CG 3.76Å; F344-F409 HydrophobicContact CD2-CG 3.76Å; F344-F409 HydrophobicContact CD2-CZ 4.01Å; F344-F409 HydrophobicContact CE2-CB 4.01Å; F344-F409 HydrophobicContact CE2-CD1 4.38Å; F344-F409 AromaticContact CE2-CD2 3.63Å; F344-F409 HydrophobicContact CE2-CD2 3.63Å; F344-F409 HydrophobicContact CE2-CE2 4.19Å; F344-F409 AromaticContact CE2-CG 3.77Å; F344-F409 HydrophobicContact CE2-CG 3.77Å; F344-F410 HydrophobicContact CD2-CE2 4.46Å; F344-F410 HydrophobicContact CE2-CD2 4.21Å; F344-F410 AromaticContact CE2-CE2 3.44Å; F344-F410 HydrophobicContact CE2-CE2 3.44Å; F344-F410 VanDerWaalsContact CE2-CE2 3.44Å; F344-F410 HydrophobicContact CE2-CZ 4.1Å; F344-F410 HydrophobicContact CZ-CD2 4.35Å; F344-F410 AromaticContact CZ-CE2 3.52Å; F344-F410 HydrophobicContact CZ-CE2 3.52Å; F344-F410 HydrophobicContact CZ-CZ 4.36Å
345	P	93.9	Very high	93.3	Very high	10 Å²	10	21.6 Å²	21.6	7%	0.065	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	151.3	-168.9	20.5	-22.8	0	0	0	112.2	A350 M405 Y406	P345-A350 HydrophobicContact CB-CB 4.13Å; P345-M405 HydrophobicContact CB-SD 4.24Å; P345-M405 HydrophobicContact CG-CB 3.98Å; P345-M405 HydrophobicContact CG-CG 4.48Å; P345-M405 HydrophobicContact CG-SD 3.71Å; P345-Y406 HydrophobicContact CG-CD1 4.17Å; P345-Y406 HydrophobicContact CG-CE1 3.79Å; P345-Y406 VanDerWaalsContact O-CE1 3.25Å; P345-Y406 WeakPolarHBondContact O-CE1 3.39Å; P345-Y406 PolarHBondContact O-OH 3.37Å
346	A	94.1	Very high	92.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	157.8	170.4	0	0	0	0	0	111.1	Q348 G349 T352	A346-Q348 PolarHBondContact O-N 2.87Å; A346-G349 PolarHBondContact N-O 2.98Å; A346-G349 PolarHBondContact O-N 3.42Å; A346-G349 VanDerWaalsContact O-O 3.11Å; A346-T352 WeakPolarHBondContact CB-OG1 3.35Å; A346-T352 PolarHBondContact N-O 3.11Å; A346-T352 VanDerWaalsContact N-O 3.07Å
347	L	93.8	Very high	91.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.8	177.3	-78.9	169	0	0	0	112.2	G349 N360 S361 I363 K375 H379 A380 F381 Y406	L347-G349 PolarHBondContact O-N 3.25Å; L347-N360 WeakPolarHBondContact CD1-O 3.34Å; L347-S361 WeakPolarHBondContact CG-O 3.17Å; L347-S361 PolarHBondContact N-O 3.03Å; L347-I363 HydrophobicContact CD1-CG1 4.01Å; L347-I363 HydrophobicContact CD2-CD1 4.19Å; L347-I363 HydrophobicContact CD2-CG1 4.3Å; L347-I363 HydrophobicContact CG-CG1 4.47Å; L347-K375 HydrophobicContact CD1-CB 4Å; L347-K375 HydrophobicContact CD1-CD 4.49Å; L347-H379 CarbonylContact C-O 3.54Å; L347-H379 HydrophobicContact CB-CB 4.18Å; L347-H379 HydrophobicContact CD1-CB 4.28Å; L347-A380 HydrophobicContact CD2-CB 3.86Å; L347-A380 CarbonylContact O-C 3.6Å; L347-A380 VanDerWaalsContact O-CA 3.26Å; L347-A380 WeakPolarHBondContact O-CA 3.29Å; L347-F381 PolarHBondContact O-N 3.31Å; L347-Y406 HydrophobicContact CD2-CE2 3.98Å
348	Q	92.7	Very high	90	Very high	76 Å²	76	26.5 Å²	26.5	36%	0.355	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.2	-177.5	-65.6	67.9	31.7	0	0	113.5	A346 N360 S361 F381	A346-Q348 PolarHBondContact O-N 2.87Å; Q348-N360 VanDerWaalsContact NE2-C 3.26Å; Q348-N360 PolarHBondContact NE2-O 3.32Å; Q348-S361 VanDerWaalsContact OE1-CB 3.28Å; Q348-F381 WeakPolarHBondContact O-CB 3.38Å
349	G	90.9	Very high	88.8	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.5	174.2	-177.5	0	0	0	0	0	113.5	A346 L347 Q351	A346-G349 PolarHBondContact N-O 2.98Å; A346-G349 PolarHBondContact O-N 3.42Å; A346-G349 VanDerWaalsContact O-O 3.11Å; L347-G349 PolarHBondContact O-N 3.25Å; G349-Q351 VanDerWaalsContact C-N 3.3Å; G349-Q351 VanDerWaalsContact C-OE1 3.27Å; G349-Q351 VanDerWaalsContact CA-OE1 3.28Å; G349-Q351 PolarHBondContact O-N 3.02Å
350	A	89.1	Confident	87.9	Confident	13 Å²	13	34.4 Å²	34.4	11%	0.107	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	0.3	-177.6	0	0	0	0	0	114.6	G101 P345 T352 M405	G101-A350 WeakPolarHBondContact CA-O 3.15Å; P345-A350 HydrophobicContact CB-CB 4.13Å; A350-T352 PolarHBondContact O-N 2.84Å; A350-M405 HydrophobicContact CB-CE 3.81Å; A350-M405 HydrophobicContact CB-SD 3.91Å
351	Q	86.5	Confident	87.1	Confident	62 Å²	62	34.6 Å²	34.6	29%	0.29	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-26.1	179.4	-64	83.9	-6.9	0	0	112.7	Q95 T96 G349	Q95-Q351 WeakPolarHBondContact CA-O 3.49Å; T96-Q351 PolarHBondContact N-O 2.65Å; T96-Q351 VanDerWaalsContact N-O 3.16Å; T96-Q351 WeakPolarHBondContact O-CB 3.49Å; G349-Q351 VanDerWaalsContact C-N 3.3Å; G349-Q351 VanDerWaalsContact C-OE1 3.27Å; G349-Q351 VanDerWaalsContact CA-OE1 3.28Å; G349-Q351 PolarHBondContact O-N 3.02Å
352	T	86.1	Confident	86.8	Confident	63 Å²	63	34.5 Å²	34.5	39%	0.387	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.2	178.8	61.8	0	0	0	0	110.7	A346 A350	A346-T352 WeakPolarHBondContact CB-OG1 3.35Å; A346-T352 PolarHBondContact N-O 3.11Å; A346-T352 VanDerWaalsContact N-O 3.07Å; A350-T352 PolarHBondContact O-N 2.84Å
353	K	86.9	Confident	86.7	Confident	53 Å²	53	33.8 Å²	33.8	23%	0.23	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	150.3	169.5	67.1	173.1	172.9	172	0	110.7	V94 D316 F343 S355	V94-K353 HydrophobicContact CB-CB 4.35Å; V94-K353 HydrophobicContact CB-CD 4.31Å; V94-K353 HydrophobicContact CB-CG 4.1Å; V94-K353 HydrophobicContact CG2-CD 3.78Å; V94-K353 HydrophobicContact CG2-CG 4.14Å; D316-K353 IonicContact OD2-NZ 2.69Å; D316-K353 PolarHBondContact OD2-NZ 2.97Å; F343-K353 HydrophobicContact CB-CB 4.05Å; F343-K353 HydrophobicContact CD1-CB 4.38Å; F343-K353 HydrophobicContact CD1-CD 4.27Å; F343-K353 HydrophobicContact CG-CB 4.32Å; K353-S355 PolarHBondContact O-N 2.7Å
354	M	86.2	Confident	86.8	Confident	9 Å²	9	34.5 Å²	34.5	4%	0.044	20%	0.199	C	C	.	.			trans	-55.6	130.4	169.8	-178.5	174	-72.1	0	0	110.3	H174 V175 F344 S362 Y406	H174-M354 HydrophobicContact CB-CG 4.49Å; H174-M354 HydrophobicContact CB-SD 3.79Å; H174-M354 PolarHBondContact CE1-O 2.69Å; V175-M354 HydrophobicContact CG2-CE 3.86Å; V175-M354 HydrophobicContact CG2-SD 3.72Å; F344-M354 HydrophobicContact CD1-CB 4.22Å; F344-M354 HydrophobicContact CD1-CE 3.73Å; F344-M354 HydrophobicContact CD1-SD 4.02Å; F344-M354 HydrophobicContact CE1-CE 3.52Å; F344-M354 HydrophobicContact CE1-SD 4.2Å; F344-M354 PolarHBondContact O-N 3.24Å; M354-S362 WeakPolarHBondContact CG-OG 3.46Å; M354-Y406 HydrophobicContact CE-CE2 4.21Å; M354-Y406 WeakPolarHBondContact CE-OH 3.1Å
355	S	81.9	Confident	86.9	Confident	44 Å²	44	34.1 Å²	34.1	31%	0.308	20%	0.198	S	C	.	.			trans	-138	135.1	-176.9	179.3	0	0	0	0	111.7	K353 S357 D358 S361 S362	K353-S355 PolarHBondContact O-N 2.7Å; S355-S357 PolarHBondContact O-N 3.21Å; S355-S357 VanDerWaalsContact O-N 3.14Å; S355-S357 PolarHBondContact OG-N 3.03Å; S355-D358 PolarHBondContact O-N 2.89Å; S355-S361 PolarHBondContact O-OG 2.94Å; S355-S362 PolarHBondContact O-OG 2.82Å
356	A	78.3	Confident	87	Confident	23 Å²	23	37.5 Å²	37.5	19%	0.19	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	174.4	0	0	0	0	0	113.3	H174 D358 F364	H174-A356 PolarHBondContact CD2-N 3.46Å; H174-A356 PolarHBondContact NE2-N 2.92Å; A356-D358 VanDerWaalsContact C-N 3.29Å; A356-D358 PolarHBondContact O-N 3.21Å; A356-F364 HydrophobicContact CB-CE1 4.22Å
357	S	74	Confident	87.1	Confident	97 Å²	97	37.9 Å²	37.9	68%	0.678	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.3	178.6	-54.8	0	0	0	0	113.5	S355	S355-S357 PolarHBondContact O-N 3.21Å; S355-S357 VanDerWaalsContact O-N 3.14Å; S355-S357 PolarHBondContact OG-N 3.03Å
358	D	74.4	Confident	87.3	Confident	63 Å²	63	41.3 Å²	41.3	34%	0.337	24%	0.241	S	C	.	.			trans	-114	104.5	171.6	176.4	2.1	0	0	0	109.6	S355 A356 N360 S361	S355-D358 PolarHBondContact O-N 2.89Å; A356-D358 VanDerWaalsContact C-N 3.29Å; A356-D358 PolarHBondContact O-N 3.21Å; D358-N360 PolarHBondContact O-N 3.25Å; D358-N360 VanDerWaalsContact O-N 3.15Å; D358-N360 WeakPolarHBondContact OD1-CB 3.39Å; D358-N360 PolarHBondContact OD1-N 3.24Å; D358-S361 WeakPolarHBondContact O-CB 3.34Å; D358-S361 PolarHBondContact O-N 3.43Å; D358-S361 PolarHBondContact O-OG 2.89Å; D358-S361 PolarHBondContact OD1-N 2.97Å
359	P	73.1	Confident	87.6	Confident	78 Å²	78	40.2 Å²	40.2	51%	0.506	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.4	179.8	-25.2	34.4	0	0	0	114.7
360	N	81.5	Confident	88	Confident	87 Å²	87	48.2 Å²	48.2	47%	0.465	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.5	178.5	-63.7	-38	0	0	0	112	L347 Q348 D358	L347-N360 WeakPolarHBondContact CD1-O 3.34Å; Q348-N360 VanDerWaalsContact NE2-C 3.26Å; Q348-N360 PolarHBondContact NE2-O 3.32Å; D358-N360 PolarHBondContact O-N 3.25Å; D358-N360 VanDerWaalsContact O-N 3.15Å; D358-N360 WeakPolarHBondContact OD1-CB 3.39Å; D358-N360 PolarHBondContact OD1-N 3.24Å
361	S	81.6	Confident	88.4	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.028	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.6	176.6	78.5	0	0	0	0	114	L347 Q348 S355 D358	L347-S361 WeakPolarHBondContact CG-O 3.17Å; L347-S361 PolarHBondContact N-O 3.03Å; Q348-S361 VanDerWaalsContact OE1-CB 3.28Å; S355-S361 PolarHBondContact O-OG 2.94Å; D358-S361 WeakPolarHBondContact O-CB 3.34Å; D358-S361 PolarHBondContact O-N 3.43Å; D358-S361 PolarHBondContact O-OG 2.89Å; D358-S361 PolarHBondContact OD1-N 2.97Å
362	S	91.4	Very high	88.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.281	C	S	.	.			trans	-116.9	141.5	-165.1	-70.8	0	0	0	0	113.9	M354 S355 K375	M354-S362 WeakPolarHBondContact CG-OG 3.46Å; S355-S362 PolarHBondContact O-OG 2.82Å; S362-K375 WeakPolarHBondContact O-CD 3.41Å; S362-K375 WeakPolarHBondContact O-CE 2.94Å; S362-K375 PolarHBondContact O-NZ 2.89Å
363	I	96	Very high	89.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.			trans	-99.3	110.8	162.1	-56.9	178.8	0	0	0	107.3	H174 V175 L347 D367 I372 K375 V376 Y406 L442 I446	H174-I363 VanDerWaalsContact CA-O 3.29Å; H174-I363 WeakPolarHBondContact CA-O 3.48Å; H174-I363 VanDerWaalsContact CB-O 3.23Å; H174-I363 WeakPolarHBondContact CB-O 3.42Å; V175-I363 HydrophobicContact CG1-CB 4.35Å; V175-I363 HydrophobicContact CG1-CG2 4.22Å; V175-I363 HydrophobicContact CG2-CB 4.05Å; V175-I363 PolarHBondContact N-O 3.05Å; L347-I363 HydrophobicContact CD1-CG1 4.01Å; L347-I363 HydrophobicContact CD2-CD1 4.19Å; L347-I363 HydrophobicContact CD2-CG1 4.3Å; L347-I363 HydrophobicContact CG-CG1 4.47Å; I363-D367 WeakPolarHBondContact CA-OD2 3.43Å; I363-I372 HydrophobicContact CG2-CG1 4.04Å; I363-K375 HydrophobicContact CG1-CB 4.45Å; I363-K375 HydrophobicContact CG1-CD 4.37Å; I363-V376 HydrophobicContact CD1-CG2 3.92Å; I363-Y406 HydrophobicContact CD1-CE2 4.05Å; I363-L442 HydrophobicContact CD1-CD1 3.61Å; I363-I446 HydrophobicContact CG2-CD1 3.6Å
364	F	96	Very high	90	Very high	32 Å²	32	51.3 Å²	51.3	14%	0.14	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-80.9	152.1	-176.6	-64.7	-73.4	0	0	0	111.2	H174 A356 T366 D367	H174-F364 HydrophobicContact CB-CD1 4.08Å; H174-F364 HydrophobicContact CB-CE1 4.48Å; A356-F364 HydrophobicContact CB-CE1 4.22Å; F364-T366 PolarHBondContact O-N 3.18Å; F364-D367 PolarHBondContact N-OD2 3.37Å; F364-D367 WeakPolarHBondContact O-CB 3.42Å; F364-D367 PolarHBondContact O-N 2.91Å; F364-D367 VanDerWaalsContact O-N 3.07Å
365	L	96.8	Very high	90.5	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.7	174.5	-58	-174.7	0	0	0	112.5	M173 V175 L178 I446 Q450	M173-L365 HydrophobicContact CB-CD1 3.72Å; M173-L365 HydrophobicContact CB-CG 4.25Å; M173-L365 WeakPolarHBondContact O-CG 3.5Å; M173-L365 PolarHBondContact O-N 2.95Å; V175-L365 HydrophobicContact CG1-CD2 4.07Å; L178-L365 HydrophobicContact CD1-CD2 3.63Å; L178-L365 HydrophobicContact CD2-CD1 3.75Å; L178-L365 HydrophobicContact CD2-CD2 4.21Å; L178-L365 HydrophobicContact CG-CD1 4.23Å; L178-L365 HydrophobicContact CG-CD2 3.9Å; L365-I446 WeakPolarHBondContact O-CG2 3.42Å; L365-Q450 VanDerWaalsContact O-CG 3.23Å; L365-Q450 WeakPolarHBondContact O-CG 3.38Å; L365-Q450 PolarHBondContact O-NE2 3.05Å
366	T	95.9	Very high	91.3	Very high	80 Å²	80	50 Å²	50	49%	0.491	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.3	173.6	52.5	0	0	0	0	113.6	A172 F364 T368	A172-T366 HydrophobicContact CB-CG2 3.72Å; F364-T366 PolarHBondContact O-N 3.18Å; T366-T368 PolarHBondContact O-N 2.99Å
367	D	96.7	Very high	92.2	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.043	29%	0.287	C	S	.	.			trans	-65.5	137.1	179.2	-78.2	-34.1	0	0	0	110.9	I363 F364 Q371 I372 K375 Q450	I363-D367 WeakPolarHBondContact CA-OD2 3.43Å; F364-D367 PolarHBondContact N-OD2 3.37Å; F364-D367 WeakPolarHBondContact O-CB 3.42Å; F364-D367 PolarHBondContact O-N 2.91Å; F364-D367 VanDerWaalsContact O-N 3.07Å; D367-Q371 HydrophobicContact CB-CB 3.97Å; D367-I372 HydrophobicContact CB-CG1 3.88Å; D367-K375 IonicContact OD1-NZ 2.72Å; D367-K375 PolarHBondContact OD1-NZ 3.28Å; D367-K375 WeakPolarHBondContact OD2-CE 3.46Å; D367-K375 IonicContact OD2-NZ 2.73Å; D367-K375 PolarHBondContact OD2-NZ 3.39Å; D367-Q450 PolarHBondContact O-NE2 3.25Å
368	T	98.2	Very high	93.2	Very high	72 Å²	72	55 Å²	55	44%	0.442	29%	0.288	S	S	.	.			trans	-71.9	160.1	170.6	61.7	0	0	0	0	111.4	T366 K370 Q371 I372	T366-T368 PolarHBondContact O-N 2.99Å; T368-K370 PolarHBondContact O-N 3.07Å; T368-Q371 WeakPolarHBondContact O-CA 3.33Å; T368-Q371 WeakPolarHBondContact O-CB 3.34Å; T368-Q371 PolarHBondContact O-N 2.83Å; T368-Q371 WeakPolarHBondContact OG1-CG 3.35Å; T368-Q371 PolarHBondContact OG1-N 3.37Å; T368-Q371 PolarHBondContact OG1-OE1 3.19Å; T368-I372 WeakPolarHBondContact O-CG1 3.33Å; T368-I372 PolarHBondContact O-N 3.24Å
369	A	98.4	Very high	94.2	Very high	54 Å²	54	55.2 Å²	55.2	45%	0.446	29%	0.286	S	S	.	.	H	α-helix	trans	-50.3	-36.5	174.2	0	0	0	0	0	113.5	K373 Q443	A369-K373 WeakPolarHBondContact O-CB 3.49Å; A369-K373 PolarHBondContact O-N 3.27Å; A369-K373 VanDerWaalsContact O-N 3.12Å; A369-Q443 HydrophobicContact CB-CG 4.19Å; A369-Q443 PolarHBondContact O-NE2 2.87Å
370	K	98.3	Very high	95.3	Very high	169 Å²	169	51.8 Å²	51.8	74%	0.735	26%	0.264	S	S	*	.	H	α-helix	trans	-70.5	-41	176.4	-174.2	179.8	178.2	-177.4	0	112.2	T368 T374	T368-K370 PolarHBondContact O-N 3.07Å; K370-T374 WeakPolarHBondContact O-CB 3.19Å; K370-T374 PolarHBondContact O-N 3.11Å; K370-T374 PolarHBondContact O-OG1 3.33Å
371	Q	97.4	Very high	96.1	Very high	87 Å²	87	51.8 Å²	51.8	41%	0.407	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-46	176.2	-76.9	162.2	-58.9	0	0	110.9	D367 T368 K373 T374 K375	D367-Q371 HydrophobicContact CB-CB 3.97Å; T368-Q371 WeakPolarHBondContact O-CA 3.33Å; T368-Q371 WeakPolarHBondContact O-CB 3.34Å; T368-Q371 PolarHBondContact O-N 2.83Å; T368-Q371 WeakPolarHBondContact OG1-CG 3.35Å; T368-Q371 PolarHBondContact OG1-N 3.37Å; T368-Q371 PolarHBondContact OG1-OE1 3.19Å; Q371-K373 PolarHBondContact O-N 3.49Å; Q371-T374 PolarHBondContact O-N 2.78Å; Q371-T374 VanDerWaalsContact O-N 3.09Å; Q371-K375 WeakPolarHBondContact O-CG 3.13Å; Q371-K375 PolarHBondContact O-N 3.11Å
372	I	98.2	Very high	96.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-54.6	-53	175.8	-62.8	161.1	0	0	0	110.2	I363 D367 T368 T374 K375 V376 L442 Q443 I446	I363-I372 HydrophobicContact CG2-CG1 4.04Å; D367-I372 HydrophobicContact CB-CG1 3.88Å; T368-I372 WeakPolarHBondContact O-CG1 3.33Å; T368-I372 PolarHBondContact O-N 3.24Å; I372-T374 VanDerWaalsContact C-N 3.28Å; I372-T374 PolarHBondContact O-N 2.7Å; I372-K375 PolarHBondContact O-N 3.05Å; I372-V376 WeakPolarHBondContact O-CG2 3.39Å; I372-V376 PolarHBondContact O-N 3.34Å; I372-L442 HydrophobicContact CG2-CB 3.9Å; I372-L442 HydrophobicContact CG2-CD1 4.37Å; I372-Q443 HydrophobicContact CD1-CG 4.37Å; I372-Q443 HydrophobicContact CG2-CG 4.31Å; I372-I446 HydrophobicContact CD1-CB 3.97Å; I372-I446 HydrophobicContact CD1-CD1 3.47Å; I372-I446 VanDerWaalsContact CD1-CD1 3.47Å; I372-I446 HydrophobicContact CD1-CG1 4.29Å; I372-I446 HydrophobicContact CD1-CG2 4.11Å; I372-I446 HydrophobicContact CG1-CD1 3.84Å
373	K	98.3	Very high	97.1	Very high	115 Å²	115	54 Å²	54	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-56.9	-41.8	177	175.6	170.8	-176.7	179.3	0	112.4	A369 Q371 N377 I439	A369-K373 WeakPolarHBondContact O-CB 3.49Å; A369-K373 PolarHBondContact O-N 3.27Å; A369-K373 VanDerWaalsContact O-N 3.12Å; Q371-K373 PolarHBondContact O-N 3.49Å; K373-N377 WeakPolarHBondContact CG-ND2 3.39Å; K373-N377 WeakPolarHBondContact O-CB 3.37Å; K373-N377 PolarHBondContact O-N 2.7Å; K373-N377 VanDerWaalsContact O-N 3.09Å; K373-N377 PolarHBondContact O-ND2 3.49Å; K373-I439 HydrophobicContact CB-CD1 4.32Å; K373-I439 HydrophobicContact CB-CG2 4.19Å; K373-I439 HydrophobicContact CG-CD1 3.99Å
374	T	97.3	Very high	97.2	Very high	53 Å²	53	54.8 Å²	54.8	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-67	-46	-179.4	-58.7	0	0	0	0	111	K370 Q371 I372 N377 K378	K370-T374 WeakPolarHBondContact O-CB 3.19Å; K370-T374 PolarHBondContact O-N 3.11Å; K370-T374 PolarHBondContact O-OG1 3.33Å; Q371-T374 PolarHBondContact O-N 2.78Å; Q371-T374 VanDerWaalsContact O-N 3.09Å; I372-T374 VanDerWaalsContact C-N 3.28Å; I372-T374 PolarHBondContact O-N 2.7Å; T374-N377 PolarHBondContact O-N 3.08Å; T374-K378 HydrophobicContact CG2-CD 3.8Å; T374-K378 HydrophobicContact CG2-CG 4.28Å; T374-K378 VanDerWaalsContact O-CB 3.29Å; T374-K378 WeakPolarHBondContact O-CB 3.43Å; T374-K378 WeakPolarHBondContact O-CG 3.42Å; T374-K378 PolarHBondContact O-N 3.43Å
375	K	97	Very high	97.2	Very high	26 Å²	26	59.2 Å²	59.2	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-46.6	179.8	-73.4	-178.2	173.5	-178.4	0	112.2	L347 S362 I363 D367 Q371 I372 N377 H379 A380	L347-K375 HydrophobicContact CD1-CB 4Å; L347-K375 HydrophobicContact CD1-CD 4.49Å; S362-K375 WeakPolarHBondContact O-CD 3.41Å; S362-K375 WeakPolarHBondContact O-CE 2.94Å; S362-K375 PolarHBondContact O-NZ 2.89Å; I363-K375 HydrophobicContact CG1-CB 4.45Å; I363-K375 HydrophobicContact CG1-CD 4.37Å; D367-K375 IonicContact OD1-NZ 2.72Å; D367-K375 PolarHBondContact OD1-NZ 3.28Å; D367-K375 WeakPolarHBondContact OD2-CE 3.46Å; D367-K375 IonicContact OD2-NZ 2.73Å; D367-K375 PolarHBondContact OD2-NZ 3.39Å; Q371-K375 WeakPolarHBondContact O-CG 3.13Å; Q371-K375 PolarHBondContact O-N 3.11Å; I372-K375 PolarHBondContact O-N 3.05Å; K375-N377 PolarHBondContact O-N 3.04Å; K375-H379 WeakPolarHBondContact O-CA 3.16Å; K375-H379 WeakPolarHBondContact O-CB 3.29Å; K375-H379 PolarHBondContact O-N 2.97Å; K375-A380 PolarHBondContact O-N 3.27Å
376	V	98	Very high	97	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-48.3	176.5	174	0	0	0	0	111	I363 I372 A380 K435 L438 I439 L442	I363-V376 HydrophobicContact CD1-CG2 3.92Å; I372-V376 WeakPolarHBondContact O-CG2 3.39Å; I372-V376 PolarHBondContact O-N 3.34Å; V376-A380 HydrophobicContact CG1-CB 4.48Å; V376-A380 WeakPolarHBondContact O-CB 3.25Å; V376-A380 PolarHBondContact O-N 2.84Å; V376-K435 HydrophobicContact CG1-CB 3.93Å; V376-K435 HydrophobicContact CG1-CD 4.25Å; V376-K435 HydrophobicContact CG1-CG 3.95Å; V376-K435 WeakPolarHBondContact O-CE 3.44Å; V376-K435 PolarHBondContact O-NZ 2.99Å; V376-L438 HydrophobicContact CG1-CD2 4Å; V376-L438 HydrophobicContact CG2-CD2 4.21Å; V376-I439 HydrophobicContact CB-CD1 4.17Å; V376-I439 HydrophobicContact CB-CG1 3.85Å; V376-I439 HydrophobicContact CG1-CD1 4.07Å; V376-I439 HydrophobicContact CG1-CG1 3.85Å; V376-I439 HydrophobicContact CG2-CG1 4.13Å; V376-L442 HydrophobicContact CG2-CD1 4.14Å
377	N	97.1	Very high	97.1	Very high	68 Å²	68	66 Å²	66	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-67.3	-43.5	-177.4	-73.4	-34.4	0	0	0	113.1	K373 T374 K375 K435	K373-N377 WeakPolarHBondContact CG-ND2 3.39Å; K373-N377 WeakPolarHBondContact O-CB 3.37Å; K373-N377 PolarHBondContact O-N 2.7Å; K373-N377 VanDerWaalsContact O-N 3.09Å; K373-N377 PolarHBondContact O-ND2 3.49Å; T374-N377 PolarHBondContact O-N 3.08Å; K375-N377 PolarHBondContact O-N 3.04Å; N377-K435 PolarHBondContact O-NZ 3.09Å; N377-K435 VanDerWaalsContact O-NZ 3.08Å
378	K	95.1	Very high	97.1	Very high	157 Å²	157	70.4 Å²	70.4	68%	0.683	36%	0.359	S	S	*	.	H	α-helix	trans	-88.3	-31.9	-172.8	-66.8	-169.2	176.4	-172.2	0	114.9	T374	T374-K378 HydrophobicContact CG2-CD 3.8Å; T374-K378 HydrophobicContact CG2-CG 4.28Å; T374-K378 VanDerWaalsContact O-CB 3.29Å; T374-K378 WeakPolarHBondContact O-CB 3.43Å; T374-K378 WeakPolarHBondContact O-CG 3.42Å; T374-K378 PolarHBondContact O-N 3.43Å
379	H	95.6	Very high	97	Very high	67 Å²	67	73.6 Å²	73.6	31%	0.31	37%	0.369	S	S	.	.	H	α-helix	trans	-118.8	-25.1	-166.8	-54.7	-52.3	0	0	0	113.8	L347 K375 F381	L347-H379 CarbonylContact C-O 3.54Å; L347-H379 HydrophobicContact CB-CB 4.18Å; L347-H379 HydrophobicContact CD1-CB 4.28Å; K375-H379 WeakPolarHBondContact O-CA 3.16Å; K375-H379 WeakPolarHBondContact O-CB 3.29Å; K375-H379 PolarHBondContact O-N 2.97Å; H379-F381 PolarHBondContact O-N 2.81Å
380	A	96.8	Very high	97	Very high	5 Å²	5	74.8 Å²	74.8	4%	0.041	37%	0.365	C	S	.	.	S	Bend	trans	-65.4	118.2	176.4	0	0	0	0	0	110.2	L347 K375 V376 V402 K435	L347-A380 HydrophobicContact CD2-CB 3.86Å; L347-A380 CarbonylContact O-C 3.6Å; L347-A380 VanDerWaalsContact O-CA 3.26Å; L347-A380 WeakPolarHBondContact O-CA 3.29Å; K375-A380 PolarHBondContact O-N 3.27Å; V376-A380 HydrophobicContact CG1-CB 4.48Å; V376-A380 WeakPolarHBondContact O-CB 3.25Å; V376-A380 PolarHBondContact O-N 2.84Å; A380-V402 HydrophobicContact CB-CG1 4.42Å; A380-K435 WeakPolarHBondContact O-CE 3.18Å; A380-K435 PolarHBondContact O-NZ 2.9Å
381	F	97.3	Very high	97	Very high	88 Å²	88	67 Å²	67	39%	0.386	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-59.7	138.6	178	176.1	-91.5	0	0	0	111.1	L347 Q348 H379 V400 V402	L347-F381 PolarHBondContact O-N 3.31Å; Q348-F381 WeakPolarHBondContact O-CB 3.38Å; H379-F381 PolarHBondContact O-N 2.81Å; F381-V400 VanDerWaalsContact CD1-O 3.24Å; F381-V400 WeakPolarHBondContact CD1-O 3.44Å; F381-V400 HydrophobicContact CE1-CB 4.17Å; F381-V400 HydrophobicContact CE1-CG2 4.05Å; F381-V402 HydrophobicContact CB-CG2 3.87Å; F381-V402 PolarHBondContact O-N 3.04Å
382	S	97.8	Very high	97	Very high	42 Å²	42	68.5 Å²	68.5	29%	0.294	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-102.5	128.8	-176.9	174	0	0	0	0	109.9	G384 T431	S382-G384 PolarHBondContact OG-N 3.14Å; S382-T431 VanDerWaalsContact OG-CG2 3.29Å; S382-T431 WeakPolarHBondContact OG-CG2 3.49Å; S382-T431 PolarHBondContact OG-OG1 2.93Å
383	G	97.5	Very high	96.9	Very high	7 Å²	7	75.1 Å²	75.1	7%	0.072	36%	0.364	C	S	.	.			trans	-85.9	6.1	164.9	0	0	0	0	0	113.3	G396 N397 D401	G383-G396 WeakPolarHBondContact O-CA 3.34Å; G383-N397 PolarHBondContact O-N 3.02Å; G383-D401 PolarHBondContact N-OD2 2.79Å
384	G	96.7	Very high	96.9	Very high	17 Å²	17	75.2 Å²	75.2	18%	0.175	37%	0.365	C	S	.	.	S	Bend	trans	-72.2	-171.6	175.7	0	0	0	0	0	113.4	S382 H391 Y424	S382-G384 PolarHBondContact OG-N 3.14Å; G384-H391 WeakPolarHBondContact CA-ND1 3.09Å; G384-Y424 WeakPolarHBondContact CA-OH 3.43Å; G384-Y424 PolarHBondContact N-OH 2.68Å
385	R	96.3	Very high	96.9	Very high	126 Å²	126	72.7 Å²	72.7	48%	0.475	35%	0.349	S	S	.	.			trans	-103.8	162	176.2	-56	-59.8	-179.4	165.5	3	109.5	T387 E390 H391 G395	R385-T387 VanDerWaalsContact C-N 3.3Å; R385-T387 PolarHBondContact O-N 3.45Å; R385-E390 HydrophobicContact CB-CB 3.71Å; R385-E390 HydrophobicContact CG-CB 4.08Å; R385-H391 HydrophobicContact CB-CB 4.02Å; R385-H391 HydrophobicContact CG-CB 4.28Å; R385-H391 PolarHBondContact N-ND1 3Å; R385-G395 PolarHBondContact NE-O 3.17Å
386	D	94.1	Very high	97	Very high	165 Å²	165	71.7 Å²	71.7	88%	0.882	35%	0.347	S	S	*	.	S	Bend	trans	-67.8	-33.8	-175.9	-64.6	-31.8	0	0	0	111.8
387	T	96.2	Very high	97	Very high	60 Å²	60	74.9 Å²	74.9	37%	0.368	36%	0.363	S	S	.	.	S	Bend	trans	-114	154.9	177.4	66.9	0	0	0	0	112.5	R385 E389 E390 H391	R385-T387 VanDerWaalsContact C-N 3.3Å; R385-T387 PolarHBondContact O-N 3.45Å; T387-E389 VanDerWaalsContact C-N 3.3Å; T387-E389 PolarHBondContact O-N 2.92Å; T387-E390 PolarHBondContact N-OE2 2.96Å; T387-E390 VanDerWaalsContact OG1-CB 3.3Å; T387-E390 WeakPolarHBondContact OG1-CB 3.3Å; T387-E390 WeakPolarHBondContact OG1-CG 3.48Å; T387-E390 PolarHBondContact OG1-N 3.09Å; T387-E390 PolarHBondContact OG1-OE2 3.42Å; T387-H391 WeakPolarHBondContact O-CB 3.43Å; T387-H391 PolarHBondContact O-N 3.29Å
388	I	97.3	Very high	97	Very high	99 Å²	99	72 Å²	72	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-40.7	177.2	-67.3	175	0	0	0	109.6	H391 R392 L430	I388-H391 PolarHBondContact O-N 3.24Å; I388-H391 VanDerWaalsContact O-N 3.16Å; I388-R392 HydrophobicContact CG2-CG 4.09Å; I388-R392 VanDerWaalsContact O-CG 3.27Å; I388-R392 WeakPolarHBondContact O-CG 3.2Å; I388-R392 PolarHBondContact O-N 3.42Å; I388-L430 HydrophobicContact CG2-CD2 4.26Å
389	E	97.1	Very high	97	Very high	140 Å²	140	68.6 Å²	68.6	65%	0.654	34%	0.338	S	S	*	.	H	α-helix	trans	-58.6	-50.3	-179.9	-66.2	70	-156.1	0	0	111	T387 H391 R392 Q393	T387-E389 VanDerWaalsContact C-N 3.3Å; T387-E389 PolarHBondContact O-N 2.92Å; E389-H391 VanDerWaalsContact C-N 3.32Å; E389-H391 PolarHBondContact O-N 2.75Å; E389-R392 PolarHBondContact O-N 3.27Å; E389-Q393 WeakPolarHBondContact O-CB 2.96Å; E389-Q393 PolarHBondContact O-N 2.86Å
390	E	97.4	Very high	97.1	Very high	79 Å²	79	66.3 Å²	66.3	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-38.4	175.1	-71.2	168	149	0	0	111.7	R385 T387 Q393 F394	R385-E390 HydrophobicContact CB-CB 3.71Å; R385-E390 HydrophobicContact CG-CB 4.08Å; T387-E390 PolarHBondContact N-OE2 2.96Å; T387-E390 VanDerWaalsContact OG1-CB 3.3Å; T387-E390 WeakPolarHBondContact OG1-CB 3.3Å; T387-E390 WeakPolarHBondContact OG1-CG 3.48Å; T387-E390 PolarHBondContact OG1-N 3.09Å; T387-E390 PolarHBondContact OG1-OE2 3.42Å; E390-Q393 PolarHBondContact O-N 3.44Å; E390-F394 HydrophobicContact CB-CD2 4.16Å; E390-F394 HydrophobicContact CG-CE2 4.49Å; E390-F394 WeakPolarHBondContact O-CB 3.45Å; E390-F394 WeakPolarHBondContact O-CD2 3.13Å; E390-F394 PolarHBondContact O-N 2.81Å
391	H	98.1	Very high	97.2	Very high	4 Å²	4	66 Å²	66	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-40.8	178.9	-163	81.5	0	0	0	112	G384 R385 T387 I388 E389 Q393 G395 Y424 G427 M429	G384-H391 WeakPolarHBondContact CA-ND1 3.09Å; R385-H391 HydrophobicContact CB-CB 4.02Å; R385-H391 HydrophobicContact CG-CB 4.28Å; R385-H391 PolarHBondContact N-ND1 3Å; T387-H391 WeakPolarHBondContact O-CB 3.43Å; T387-H391 PolarHBondContact O-N 3.29Å; I388-H391 PolarHBondContact O-N 3.24Å; I388-H391 VanDerWaalsContact O-N 3.16Å; E389-H391 VanDerWaalsContact C-N 3.32Å; E389-H391 PolarHBondContact O-N 2.75Å; H391-Q393 VanDerWaalsContact C-N 3.27Å; H391-Q393 PolarHBondContact O-N 3.23Å; H391-G395 WeakPolarHBondContact O-CA 3.45Å; H391-G395 PolarHBondContact O-N 3.24Å; H391-Y424 AromaticContact CE1-CE2 3.42Å; H391-Y424 VanDerWaalsContact CE1-CE2 3.42Å; H391-Y424 WeakPolarHBondContact CE1-CE2 3.26Å; H391-Y424 AromaticContact CE1-CZ 3.94Å; H391-Y424 AromaticContact NE2-CD2 3.77Å; H391-Y424 AromaticContact NE2-CE2 3.53Å; H391-G427 VanDerWaalsContact O-CA 3.25Å; H391-G427 WeakPolarHBondContact O-CA 3.46Å; H391-M429 PolarHBondContact NE2-O 3.4Å
392	R	97.1	Very high	97.2	Very high	119 Å²	119	61.9 Å²	61.9	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-32.7	174.2	-67.7	-58.4	-174.4	-173.5	0.3	112	I388 E389 G427 A428	I388-R392 HydrophobicContact CG2-CG 4.09Å; I388-R392 VanDerWaalsContact O-CG 3.27Å; I388-R392 WeakPolarHBondContact O-CG 3.2Å; I388-R392 PolarHBondContact O-N 3.42Å; E389-R392 PolarHBondContact O-N 3.27Å; R392-G427 WeakPolarHBondContact CD-O 3.44Å; R392-G427 PolarHBondContact NH1-O 2.87Å; R392-A428 PolarHBondContact NH1-O 3.43Å
393	Q	97.1	Very high	97.2	Very high	141 Å²	141	59.9 Å²	59.9	66%	0.659	29%	0.294	S	S	*	.	H	α-helix	trans	-82.5	-42.6	-178.5	-175.5	176.3	-1.6	0	0	113.5	E389 E390 H391	E389-Q393 WeakPolarHBondContact O-CB 2.96Å; E389-Q393 PolarHBondContact O-N 2.86Å; E390-Q393 PolarHBondContact O-N 3.44Å; H391-Q393 VanDerWaalsContact C-N 3.27Å; H391-Q393 PolarHBondContact O-N 3.23Å
394	F	97.6	Very high	97.3	Very high	116 Å²	116	60.4 Å²	60.4	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-114	-8.2	-169.4	-57.4	-62.7	0	0	0	114.3	E390	E390-F394 HydrophobicContact CB-CD2 4.16Å; E390-F394 HydrophobicContact CG-CE2 4.49Å; E390-F394 WeakPolarHBondContact O-CB 3.45Å; E390-F394 WeakPolarHBondContact O-CD2 3.13Å; E390-F394 PolarHBondContact O-N 2.81Å
395	G	98.1	Very high	97.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.292	C	S	.	.			trans	67.4	177.6	-177.5	0	0	0	0	0	115.1	R385 H391 T425	R385-G395 PolarHBondContact NE-O 3.17Å; H391-G395 WeakPolarHBondContact O-CA 3.45Å; H391-G395 PolarHBondContact O-N 3.24Å; G395-T425 WeakPolarHBondContact CA-O 3.43Å
396	G	98.1	Very high	97.5	Very high	6 Å²	6	54.8 Å²	54.8	6%	0.062	27%	0.27	C	S	.	.			trans	-95.7	153.3	173.4	0	0	0	0	0	113.5	G383 Y424 T425	G383-G396 WeakPolarHBondContact O-CA 3.34Å; G396-Y424 PolarHBondContact N-O 3.37Å; G396-T425 WeakPolarHBondContact O-CA 3.45Å
397	N	98.2	Very high	97.7	Very high	66 Å²	66	47 Å²	47	35%	0.353	23%	0.228	S	C	.	.			trans	-98.7	103.7	176.6	-174.9	-0.1	0	0	0	111.3	G383 D399 V400 D401	G383-N397 PolarHBondContact O-N 3.02Å; N397-D399 PolarHBondContact O-N 3.47Å; N397-D399 WeakPolarHBondContact OD1-CB 3.41Å; N397-D399 PolarHBondContact OD1-N 2.57Å; N397-V400 HydrophobicContact CB-CG2 3.94Å; N397-V400 PolarHBondContact O-N 3.37Å; N397-D401 PolarHBondContact O-N 3.37Å
398	C	98.1	Very high	97.8	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.061	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.5	178	-68	0	0	0	0	113.8	V400 F404 R421 T425	C398-V400 PolarHBondContact O-N 2.85Å; C398-F404 HydrophobicContact CB-CD1 3.54Å; C398-F404 HydrophobicContact CB-CE1 3.76Å; C398-F404 HydrophobicContact CB-CG 3.97Å; C398-F404 HydrophobicContact CB-CZ 4.37Å; C398-R421 HydrophobicContact CB-CG 4.33Å; C398-T425 PolarHBondContact SG-OG1 3.44Å
399	D	95	Very high	97.9	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.3	-176.9	-65.9	-9.2	0	0	0	113.1	K100 N397 M405	K100-D399 HydrophobicContact CD-CB 4.24Å; K100-D399 HydrophobicContact CG-CB 4.22Å; K100-D399 IonicContact NZ-OD2 3.56Å; K100-D399 PolarHBondContact NZ-OD2 3.07Å; N397-D399 PolarHBondContact O-N 3.47Å; N397-D399 WeakPolarHBondContact OD1-CB 3.41Å; N397-D399 PolarHBondContact OD1-N 2.57Å; D399-M405 WeakPolarHBondContact O-CE 3.41Å
400	V	96.5	Very high	97.9	Very high	18 Å²	18	35.2 Å²	35.2	11%	0.109	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-12.5	-178	-55.6	0	0	0	0	112.7	A99 K100 F381 N397 C398 V402	A99-V400 HydrophobicContact CB-CG1 4.08Å; K100-V400 HydrophobicContact CG-CG1 4.02Å; F381-V400 VanDerWaalsContact CD1-O 3.24Å; F381-V400 WeakPolarHBondContact CD1-O 3.44Å; F381-V400 HydrophobicContact CE1-CB 4.17Å; F381-V400 HydrophobicContact CE1-CG2 4.05Å; N397-V400 HydrophobicContact CB-CG2 3.94Å; N397-V400 PolarHBondContact O-N 3.37Å; C398-V400 PolarHBondContact O-N 2.85Å; V400-V402 PolarHBondContact O-N 2.8Å
401	D	98.4	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.			trans	-76.1	112.2	-178.4	-167.8	-71.4	0	0	0	111.2	G383 N397 S403 F404 M405 Y424 L434	G383-D401 PolarHBondContact N-OD2 2.79Å; N397-D401 PolarHBondContact O-N 3.37Å; D401-S403 PolarHBondContact O-N 2.82Å; D401-S403 VanDerWaalsContact OD1-CA 3.29Å; D401-S403 WeakPolarHBondContact OD1-CA 3.46Å; D401-S403 WeakPolarHBondContact OD1-CB 3.18Å; D401-S403 PolarHBondContact OD1-N 2.95Å; D401-F404 HydrophobicContact CB-CB 4.1Å; D401-F404 PolarHBondContact O-N 3.23Å; D401-F404 PolarHBondContact OD1-N 2.61Å; D401-M405 WeakPolarHBondContact O-CG 3.35Å; D401-M405 PolarHBondContact O-N 3.28Å; D401-Y424 HydrophobicContact CB-CE1 3.94Å; D401-Y424 WeakPolarHBondContact OD2-CE1 3.45Å; D401-Y424 PolarHBondContact OD2-OH 2.87Å; D401-L434 WeakPolarHBondContact OD1-CD2 3.13Å
402	V	98.2	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-31.2	-178.4	172.7	0	0	0	0	111.6	A380 F381 V400 M405 Y406	A380-V402 HydrophobicContact CB-CG1 4.42Å; F381-V402 HydrophobicContact CB-CG2 3.87Å; F381-V402 PolarHBondContact O-N 3.04Å; V400-V402 PolarHBondContact O-N 2.8Å; V402-M405 PolarHBondContact O-N 3.49Å; V402-Y406 HydrophobicContact CG1-CD1 3.99Å; V402-Y406 HydrophobicContact CG1-CE1 3.54Å; V402-Y406 HydrophobicContact CG1-CE2 4.32Å; V402-Y406 VanDerWaalsContact O-CD1 3.26Å; V402-Y406 WeakPolarHBondContact O-CD1 3.18Å; V402-Y406 PolarHBondContact O-N 3.35Å
403	S	98.6	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-70.7	-42.8	-179.5	-47.8	0	0	0	0	111.1	D401 Y406 L407 K435	D401-S403 PolarHBondContact O-N 2.82Å; D401-S403 VanDerWaalsContact OD1-CA 3.29Å; D401-S403 WeakPolarHBondContact OD1-CA 3.46Å; D401-S403 WeakPolarHBondContact OD1-CB 3.18Å; D401-S403 PolarHBondContact OD1-N 2.95Å; S403-Y406 PolarHBondContact O-N 3.16Å; S403-L407 WeakPolarHBondContact O-CG 3.21Å; S403-L407 PolarHBondContact O-N 2.73Å; S403-K435 WeakPolarHBondContact OG-CG 3.38Å
404	F	98.8	Very high	98	Very high	19 Å²	19	31.7 Å²	31.7	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-44.5	172.4	-176.5	-97.9	0	0	0	111.5	C398 D401 Y406 L407 T408 L417 I420 R421 L434	C398-F404 HydrophobicContact CB-CD1 3.54Å; C398-F404 HydrophobicContact CB-CE1 3.76Å; C398-F404 HydrophobicContact CB-CG 3.97Å; C398-F404 HydrophobicContact CB-CZ 4.37Å; D401-F404 HydrophobicContact CB-CB 4.1Å; D401-F404 PolarHBondContact O-N 3.23Å; D401-F404 PolarHBondContact OD1-N 2.61Å; F404-Y406 VanDerWaalsContact C-N 3.3Å; F404-Y406 PolarHBondContact O-N 2.98Å; F404-L407 WeakPolarHBondContact O-CB 3.25Å; F404-L407 PolarHBondContact O-N 2.8Å; F404-L407 VanDerWaalsContact O-N 3.08Å; F404-T408 HydrophobicContact CD1-CG2 4.21Å; F404-T408 HydrophobicContact CE1-CG2 3.83Å; F404-T408 HydrophobicContact CZ-CG2 4.29Å; F404-T408 WeakPolarHBondContact O-CG2 3.46Å; F404-T408 PolarHBondContact O-N 2.83Å; F404-T408 VanDerWaalsContact O-N 3.16Å; F404-L417 HydrophobicContact CE2-CD1 3.92Å; F404-L417 HydrophobicContact CZ-CD1 4.18Å; F404-I420 HydrophobicContact CD2-CG2 4.17Å; F404-I420 HydrophobicContact CE2-CG2 4.32Å; F404-R421 HydrophobicContact CE1-CG 4.28Å; F404-R421 HydrophobicContact CE2-CB 3.62Å; F404-R421 HydrophobicContact CE2-CG 3.98Å; F404-R421 HydrophobicContact CZ-CB 3.61Å; F404-R421 HydrophobicContact CZ-CG 3.56Å; F404-L434 HydrophobicContact CB-CD2 4.23Å; F404-L434 HydrophobicContact CD2-CD1 4.47Å
405	M	98.5	Very high	98	Very high	25 Å²	25	32.7 Å²	32.7	12%	0.123	17%	0.172	C	C	.	.	H	α-helix	trans	-53.9	-46.8	174.9	-69.8	174.1	-179.6	0	0	111.1	P345 A350 D399 D401 V402 L407 T408 F409	P345-M405 HydrophobicContact CB-SD 4.24Å; P345-M405 HydrophobicContact CG-CB 3.98Å; P345-M405 HydrophobicContact CG-CG 4.48Å; P345-M405 HydrophobicContact CG-SD 3.71Å; A350-M405 HydrophobicContact CB-CE 3.81Å; A350-M405 HydrophobicContact CB-SD 3.91Å; D399-M405 WeakPolarHBondContact O-CE 3.41Å; D401-M405 WeakPolarHBondContact O-CG 3.35Å; D401-M405 PolarHBondContact O-N 3.28Å; V402-M405 PolarHBondContact O-N 3.49Å; M405-L407 VanDerWaalsContact C-N 3.29Å; M405-L407 PolarHBondContact O-N 3.36Å; M405-T408 PolarHBondContact O-N 3.31Å; M405-T408 VanDerWaalsContact O-N 3.08Å; M405-T408 PolarHBondContact O-OG1 2.8Å; M405-F409 WeakPolarHBondContact O-CD2 3.45Å
406	Y	98.6	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-34.1	179.8	-74.2	14.7	0	0	0	112.8	F344 P345 L347 M354 I363 V402 S403 F404 T408 F409 F410 L438 L442	F344-Y406 HydrophobicContact CD1-CD1 4.49Å; F344-Y406 AromaticContact CD1-CE1 3.88Å; F344-Y406 HydrophobicContact CD1-CE1 3.88Å; F344-Y406 AromaticContact CE1-CD1 3.67Å; F344-Y406 HydrophobicContact CE1-CD1 3.67Å; F344-Y406 AromaticContact CE1-CD2 3.97Å; F344-Y406 HydrophobicContact CE1-CD2 3.97Å; F344-Y406 AromaticContact CE1-CE1 3.22Å; F344-Y406 HydrophobicContact CE1-CE1 3.22Å; F344-Y406 AromaticContact CE1-CE2 3.58Å; F344-Y406 HydrophobicContact CE1-CE2 3.58Å; F344-Y406 HydrophobicContact CE1-CG 4.03Å; F344-Y406 AromaticContact CE1-CZ 3.2Å; F344-Y406 AromaticContact CE2-CD1 3.71Å; F344-Y406 HydrophobicContact CE2-CD1 3.71Å; F344-Y406 HydrophobicContact CE2-CE1 4.08Å; F344-Y406 HydrophobicContact CE2-CG 4.03Å; F344-Y406 AromaticContact CZ-CD1 3.2Å; F344-Y406 HydrophobicContact CZ-CD1 3.2Å; F344-Y406 AromaticContact CZ-CD2 3.56Å; F344-Y406 HydrophobicContact CZ-CD2 3.56Å; F344-Y406 AromaticContact CZ-CE1 3.33Å; F344-Y406 HydrophobicContact CZ-CE1 3.33Å; F344-Y406 AromaticContact CZ-CE2 3.69Å; F344-Y406 HydrophobicContact CZ-CE2 3.69Å; F344-Y406 AromaticContact CZ-CG 3.33Å; F344-Y406 HydrophobicContact CZ-CG 3.33Å; F344-Y406 AromaticContact CZ-CZ 3.6Å; P345-Y406 HydrophobicContact CG-CD1 4.17Å; P345-Y406 HydrophobicContact CG-CE1 3.79Å; P345-Y406 VanDerWaalsContact O-CE1 3.25Å; P345-Y406 WeakPolarHBondContact O-CE1 3.39Å; P345-Y406 PolarHBondContact O-OH 3.37Å; L347-Y406 HydrophobicContact CD2-CE2 3.98Å; M354-Y406 HydrophobicContact CE-CE2 4.21Å; M354-Y406 WeakPolarHBondContact CE-OH 3.1Å; I363-Y406 HydrophobicContact CD1-CE2 4.05Å; V402-Y406 HydrophobicContact CG1-CD1 3.99Å; V402-Y406 HydrophobicContact CG1-CE1 3.54Å; V402-Y406 HydrophobicContact CG1-CE2 4.32Å; V402-Y406 VanDerWaalsContact O-CD1 3.26Å; V402-Y406 WeakPolarHBondContact O-CD1 3.18Å; V402-Y406 PolarHBondContact O-N 3.35Å; S403-Y406 PolarHBondContact O-N 3.16Å; F404-Y406 VanDerWaalsContact C-N 3.3Å; F404-Y406 PolarHBondContact O-N 2.98Å; Y406-T408 VanDerWaalsContact C-N 3.28Å; Y406-T408 PolarHBondContact O-N 2.8Å; Y406-F409 PolarHBondContact O-N 2.91Å; Y406-F409 VanDerWaalsContact O-N 3.15Å; Y406-F410 PolarHBondContact O-N 2.79Å; Y406-F410 VanDerWaalsContact O-N 3.1Å; Y406-L438 HydrophobicContact CD2-CD1 4.48Å; Y406-L438 HydrophobicContact CD2-CD2 4.01Å; Y406-L438 HydrophobicContact CG-CD2 4.34Å; Y406-L442 HydrophobicContact CD2-CD1 4.31Å
407	L	98.8	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-34.8	174.1	-70.3	171.2	0	0	0	111.8	S403 F404 M405 F409 F410 L411 L417 I420 L434 V437 L438 V441	S403-L407 WeakPolarHBondContact O-CG 3.21Å; S403-L407 PolarHBondContact O-N 2.73Å; F404-L407 WeakPolarHBondContact O-CB 3.25Å; F404-L407 PolarHBondContact O-N 2.8Å; F404-L407 VanDerWaalsContact O-N 3.08Å; M405-L407 VanDerWaalsContact C-N 3.29Å; M405-L407 PolarHBondContact O-N 3.36Å; L407-F409 PolarHBondContact O-N 3.17Å; L407-F410 PolarHBondContact O-N 3.09Å; L407-L411 HydrophobicContact CB-CB 4.32Å; L407-L411 HydrophobicContact CD2-CB 4.07Å; L407-L411 HydrophobicContact CD2-CD2 4.44Å; L407-L411 VanDerWaalsContact O-CB 3.28Å; L407-L411 WeakPolarHBondContact O-CB 3.48Å; L407-L411 PolarHBondContact O-N 3.15Å; L407-L417 HydrophobicContact CB-CD1 3.86Å; L407-I420 HydrophobicContact CD1-CD1 4.38Å; L407-I420 HydrophobicContact CD1-CG2 4.22Å; L407-L434 HydrophobicContact CD1-CD1 3.55Å; L407-V437 HydrophobicContact CD1-CG1 4.44Å; L407-V437 HydrophobicContact CD2-CG1 4.11Å; L407-L438 HydrophobicContact CD2-CB 4.17Å; L407-L438 HydrophobicContact CD2-CD1 4.07Å; L407-L438 HydrophobicContact CG-CB 4.27Å; L407-L438 HydrophobicContact CG-CD1 4.18Å; L407-V441 HydrophobicContact CD2-CB 4.48Å; L407-V441 HydrophobicContact CD2-CG2 4.01Å
408	T	98.6	Very high	98.1	Very high	33 Å²	33	38 Å²	38	20%	0.202	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-26.5	176.5	75.9	0	0	0	0	112.4	R138 I140 F404 M405 Y406 L417	R138-T408 VanDerWaalsContact CD-O 3.27Å; R138-T408 WeakPolarHBondContact CD-O 3.36Å; R138-T408 PolarHBondContact NH1-O 2.96Å; I140-T408 WeakPolarHBondContact CD1-O 3.27Å; F404-T408 HydrophobicContact CD1-CG2 4.21Å; F404-T408 HydrophobicContact CE1-CG2 3.83Å; F404-T408 HydrophobicContact CZ-CG2 4.29Å; F404-T408 WeakPolarHBondContact O-CG2 3.46Å; F404-T408 PolarHBondContact O-N 2.83Å; F404-T408 VanDerWaalsContact O-N 3.16Å; M405-T408 PolarHBondContact O-N 3.31Å; M405-T408 VanDerWaalsContact O-N 3.08Å; M405-T408 PolarHBondContact O-OG1 2.8Å; Y406-T408 VanDerWaalsContact C-N 3.28Å; Y406-T408 PolarHBondContact O-N 2.8Å; T408-L417 HydrophobicContact CG2-CD1 4.39Å; T408-L417 HydrophobicContact CG2-CD2 4.28Å
409	F	98.6	Very high	98.1	Very high	9 Å²	9	42 Å²	42	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-82.8	-46	174.3	-66.4	-95.1	0	0	0	112.7	R134 F135 I140 I179 F344 M405 Y406 L407	R134-F409 PolarHBondContact NE-O 3.03Å; F135-F409 HydrophobicContact CE1-CB 4.28Å; F135-F409 HydrophobicContact CE1-CD1 4.24Å; F135-F409 VanDerWaalsContact CE1-O 3.27Å; F135-F409 WeakPolarHBondContact CE1-O 3.43Å; I140-F409 HydrophobicContact CB-CE1 4.29Å; I140-F409 HydrophobicContact CD1-CB 4.34Å; I140-F409 HydrophobicContact CD1-CD1 3.58Å; I140-F409 HydrophobicContact CD1-CD2 4.46Å; I140-F409 HydrophobicContact CD1-CE1 3.96Å; I140-F409 HydrophobicContact CD1-CG 3.87Å; I140-F409 HydrophobicContact CG1-CD1 4.02Å; I140-F409 HydrophobicContact CG1-CE1 3.85Å; I140-F409 HydrophobicContact CG1-CZ 4.26Å; I140-F409 HydrophobicContact CG2-CD1 3.82Å; I140-F409 HydrophobicContact CG2-CE1 3.48Å; I140-F409 VanDerWaalsContact CG2-CE1 3.48Å; I140-F409 HydrophobicContact CG2-CZ 4.46Å; I179-F409 HydrophobicContact CD1-CB 4.12Å; I179-F409 HydrophobicContact CD1-CD1 3.53Å; I179-F409 HydrophobicContact CD1-CE1 4.31Å; I179-F409 HydrophobicContact CD1-CG 4.12Å; I179-F409 HydrophobicContact CG1-CD1 3.98Å; I179-F409 HydrophobicContact CG1-CE1 4.26Å; I179-F409 HydrophobicContact CG2-CD1 4.27Å; I179-F409 HydrophobicContact CG2-CE1 4.27Å; F344-F409 HydrophobicContact CD2-CB 4.42Å; F344-F409 AromaticContact CD2-CD1 3.94Å; F344-F409 HydrophobicContact CD2-CD1 3.94Å; F344-F409 AromaticContact CD2-CD2 3.68Å; F344-F409 HydrophobicContact CD2-CD2 3.68Å; F344-F409 HydrophobicContact CD2-CE1 4.04Å; F344-F409 AromaticContact CD2-CE2 3.84Å; F344-F409 HydrophobicContact CD2-CE2 3.84Å; F344-F409 AromaticContact CD2-CG 3.76Å; F344-F409 HydrophobicContact CD2-CG 3.76Å; F344-F409 HydrophobicContact CD2-CZ 4.01Å; F344-F409 HydrophobicContact CE2-CB 4.01Å; F344-F409 HydrophobicContact CE2-CD1 4.38Å; F344-F409 AromaticContact CE2-CD2 3.63Å; F344-F409 HydrophobicContact CE2-CD2 3.63Å; F344-F409 HydrophobicContact CE2-CE2 4.19Å; F344-F409 AromaticContact CE2-CG 3.77Å; F344-F409 HydrophobicContact CE2-CG 3.77Å; M405-F409 WeakPolarHBondContact O-CD2 3.45Å; Y406-F409 PolarHBondContact O-N 2.91Å; Y406-F409 VanDerWaalsContact O-N 3.15Å; L407-F409 PolarHBondContact O-N 3.17Å
410	F	98.4	Very high	98.3	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.044	19%	0.19	C	C	.	.	H	α-helix	trans	-108.7	-24.7	-164.5	-62.5	-62.7	0	0	0	115.7	V175 I179 I182 F344 Y406 L407 E412 V441 L442 L445	V175-F410 HydrophobicContact CB-CE2 4.33Å; V175-F410 HydrophobicContact CB-CZ 4.16Å; I179-F410 HydrophobicContact CD1-CE1 3.91Å; I179-F410 HydrophobicContact CD1-CZ 3.67Å; I182-F410 HydrophobicContact CD1-CE1 4.21Å; F344-F410 HydrophobicContact CD2-CE2 4.46Å; F344-F410 HydrophobicContact CE2-CD2 4.21Å; F344-F410 AromaticContact CE2-CE2 3.44Å; F344-F410 HydrophobicContact CE2-CE2 3.44Å; F344-F410 VanDerWaalsContact CE2-CE2 3.44Å; F344-F410 HydrophobicContact CE2-CZ 4.1Å; F344-F410 HydrophobicContact CZ-CD2 4.35Å; F344-F410 AromaticContact CZ-CE2 3.52Å; F344-F410 HydrophobicContact CZ-CE2 3.52Å; F344-F410 HydrophobicContact CZ-CZ 4.36Å; Y406-F410 PolarHBondContact O-N 2.79Å; Y406-F410 VanDerWaalsContact O-N 3.1Å; L407-F410 PolarHBondContact O-N 3.09Å; F410-E412 PolarHBondContact O-N 3.08Å; F410-V441 HydrophobicContact CB-CG1 3.55Å; F410-L442 HydrophobicContact CD2-CD2 3.64Å; F410-L442 HydrophobicContact CE2-CD2 4.03Å; F410-L442 HydrophobicContact CG-CD2 4.28Å; F410-L445 HydrophobicContact CB-CD2 4.5Å; F410-L445 HydrophobicContact CD1-CD2 3.47Å; F410-L445 VanDerWaalsContact CD1-CD2 3.47Å; F410-L445 HydrophobicContact CD2-CD2 4.3Å; F410-L445 HydrophobicContact CE1-CD2 3.62Å; F410-L445 HydrophobicContact CE2-CD2 4.38Å; F410-L445 HydrophobicContact CG-CD2 3.85Å; F410-L445 HydrophobicContact CZ-CD2 4.08Å
411	L	98.5	Very high	98.4	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.068	20%	0.201	C	C	.	.			trans	-74.5	112.8	176.1	-179.7	64.6	0	0	0	109.2	R138 L407 K416 L417 I420 V441	R138-L411 PolarHBondContact NH1-O 3.25Å; R138-L411 PolarHBondContact NH2-O 3.48Å; L407-L411 HydrophobicContact CB-CB 4.32Å; L407-L411 HydrophobicContact CD2-CB 4.07Å; L407-L411 HydrophobicContact CD2-CD2 4.44Å; L407-L411 VanDerWaalsContact O-CB 3.28Å; L407-L411 WeakPolarHBondContact O-CB 3.48Å; L407-L411 PolarHBondContact O-N 3.15Å; L411-K416 HydrophobicContact CD1-CD 4.22Å; L411-K416 HydrophobicContact CD2-CB 4.42Å; L411-K416 HydrophobicContact CD2-CD 4.45Å; L411-K416 HydrophobicContact CD2-CG 4.16Å; L411-L417 HydrophobicContact CD2-CB 4.05Å; L411-L417 HydrophobicContact CD2-CD1 4.25Å; L411-I420 HydrophobicContact CD2-CD1 3.65Å; L411-V441 HydrophobicContact CB-CG2 4.47Å; L411-V441 HydrophobicContact CD1-CG2 3.93Å
412	E	96.6	Very high	98.4	Very high	129 Å²	129	46.8 Å²	46.8	60%	0.603	22%	0.223	S	C	*	.			trans	-73.9	-29.9	-170.5	-56.9	-155.3	140.8	0	0	114.9	R134 R138 F410 D414	R134-E412 IonicContact CZ-OE1 3.44Å; R134-E412 IonicContact NH1-OE1 3.36Å; R134-E412 PolarHBondContact NH1-OE1 2.93Å; R134-E412 IonicContact NH2-OE1 2.69Å; R138-E412 PolarHBondContact NH2-O 2.77Å; F410-E412 PolarHBondContact O-N 3.08Å; E412-D414 PolarHBondContact O-N 3.31Å
413	D	98.3	Very high	98.5	Very high	84 Å²	84	48.9 Å²	48.9	45%	0.449	23%	0.234	S	C	.	.			trans	-77.3	116.5	-177.3	-172.5	-37.4	0	0	0	110.9	D415 K416 L417	D413-D415 PolarHBondContact OD1-N 2.98Å; D413-K416 HydrophobicContact CB-CB 3.87Å; D413-K416 PolarHBondContact OD1-N 3.15Å; D413-L417 WeakPolarHBondContact O-CB 3.24Å; D413-L417 PolarHBondContact O-N 3.39Å; D413-L417 VanDerWaalsContact O-N 3.15Å
414	D	97.8	Very high	98.5	Very high	44 Å²	44	48.9 Å²	48.9	24%	0.235	23%	0.234	C	C	.	.	H	α-helix	trans	-71.9	-36.4	-177.7	-67.5	-22.9	0	0	0	111.8	R131 R137 R138 E412 L417 E418	R131-D414 IonicContact NH2-OD2 3.73Å; R131-D414 PolarHBondContact NH2-OD2 2.9Å; R137-D414 IonicContact CZ-OD2 3.2Å; R137-D414 IonicContact NE-OD2 3.24Å; R137-D414 PolarHBondContact NE-OD2 3.06Å; R137-D414 IonicContact NH2-OD1 2.72Å; R137-D414 PolarHBondContact NH2-OD1 3.06Å; R137-D414 IonicContact NH2-OD2 3.26Å; R137-D414 PolarHBondContact NH2-OD2 3.43Å; R138-D414 IonicContact CZ-OD1 2.8Å; R138-D414 IonicContact NE-OD1 3.47Å; R138-D414 PolarHBondContact NE-OD1 2.96Å; R138-D414 IonicContact NH2-OD1 3.79Å; R138-D414 PolarHBondContact NH2-OD1 2.86Å; E412-D414 PolarHBondContact O-N 3.31Å; D414-L417 PolarHBondContact O-N 2.81Å; D414-E418 PolarHBondContact O-N 2.72Å
415	D	98.3	Very high	98.5	Very high	137 Å²	137	50.9 Å²	50.9	73%	0.733	25%	0.248	S	C	*	.	H	α-helix	trans	-72.7	-41.4	-178.8	-67.5	-33	0	0	0	110.5	D413 L417 E418 Q419	D413-D415 PolarHBondContact OD1-N 2.98Å; D415-L417 VanDerWaalsContact C-N 3.34Å; D415-L417 PolarHBondContact O-N 2.88Å; D415-E418 PolarHBondContact O-N 3.05Å; D415-Q419 WeakPolarHBondContact O-CB 3.29Å; D415-Q419 PolarHBondContact O-N 3.16Å
416	K	98.6	Very high	98.5	Very high	100 Å²	100	53 Å²	53	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-40.8	173.6	-173.9	173.7	173.1	-179.9	0	111.6	L411 D413 Q419 I420	L411-K416 HydrophobicContact CD1-CD 4.22Å; L411-K416 HydrophobicContact CD2-CB 4.42Å; L411-K416 HydrophobicContact CD2-CD 4.45Å; L411-K416 HydrophobicContact CD2-CG 4.16Å; D413-K416 HydrophobicContact CB-CB 3.87Å; D413-K416 PolarHBondContact OD1-N 3.15Å; K416-Q419 PolarHBondContact O-N 3.01Å; K416-I420 HydrophobicContact CG-CD1 4.08Å; K416-I420 WeakPolarHBondContact O-CD1 3.5Å; K416-I420 VanDerWaalsContact O-CG1 3.25Å; K416-I420 WeakPolarHBondContact O-CG1 3.38Å; K416-I420 PolarHBondContact O-N 3.15Å
417	L	98.7	Very high	98.4	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-44.5	175.9	-178.6	66	0	0	0	111.5	F404 L407 T408 L411 D413 D414 D415 I420 R421	F404-L417 HydrophobicContact CE2-CD1 3.92Å; F404-L417 HydrophobicContact CZ-CD1 4.18Å; L407-L417 HydrophobicContact CB-CD1 3.86Å; T408-L417 HydrophobicContact CG2-CD1 4.39Å; T408-L417 HydrophobicContact CG2-CD2 4.28Å; L411-L417 HydrophobicContact CD2-CB 4.05Å; L411-L417 HydrophobicContact CD2-CD1 4.25Å; D413-L417 WeakPolarHBondContact O-CB 3.24Å; D413-L417 PolarHBondContact O-N 3.39Å; D413-L417 VanDerWaalsContact O-N 3.15Å; D414-L417 PolarHBondContact O-N 2.81Å; D415-L417 VanDerWaalsContact C-N 3.34Å; D415-L417 PolarHBondContact O-N 2.88Å; L417-I420 PolarHBondContact O-N 3.23Å; L417-R421 PolarHBondContact O-N 3.25Å
418	E	98.6	Very high	98.4	Very high	67 Å²	67	55.8 Å²	55.8	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-66.6	-36.8	178.1	178.3	56.8	-163.6	0	0	112.3	D414 D415 R421 K422	D414-E418 PolarHBondContact O-N 2.72Å; D415-E418 PolarHBondContact O-N 3.05Å; E418-R421 WeakPolarHBondContact O-CB 3.37Å; E418-R421 PolarHBondContact O-N 3.26Å; E418-R421 IonicContact OE1-CZ 2.77Å; E418-R421 IonicContact OE1-NE 2.71Å; E418-R421 PolarHBondContact OE1-NE 3.25Å; E418-R421 IonicContact OE1-NH2 3.8Å; E418-R421 PolarHBondContact OE1-NH2 3.45Å; E418-R421 IonicContact OE2-CZ 3.45Å; E418-R421 IonicContact OE2-NE 2.75Å; E418-R421 PolarHBondContact OE2-NE 3.49Å; E418-R421 IonicContact OE2-NH2 2.99Å; E418-K422 HydrophobicContact CG-CD 4.48Å; E418-K422 WeakPolarHBondContact O-CG 3.25Å; E418-K422 PolarHBondContact O-N 2.81Å; E418-K422 WeakPolarHBondContact OE1-CE 3.46Å; E418-K422 IonicContact OE1-NZ 3.68Å
419	Q	98.7	Very high	98.4	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-47	173.5	-174	57.8	44.1	0	0	111.3	D415 K416 R421 K422 D423	D415-Q419 WeakPolarHBondContact O-CB 3.29Å; D415-Q419 PolarHBondContact O-N 3.16Å; K416-Q419 PolarHBondContact O-N 3.01Å; Q419-R421 VanDerWaalsContact C-N 3.29Å; Q419-R421 PolarHBondContact O-N 3.45Å; Q419-K422 PolarHBondContact O-N 3.09Å; Q419-D423 PolarHBondContact NE2-OD1 2.78Å; Q419-D423 PolarHBondContact NE2-OD2 3.49Å; Q419-D423 VanDerWaalsContact O-CG 3.32Å; Q419-D423 PolarHBondContact O-N 3.26Å
420	I	98.8	Very high	98.4	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-43.5	175	-69.8	162.2	0	0	0	110.8	F404 L407 L411 K416 L417 K422 D423 Y424 M429 L434 V437	F404-I420 HydrophobicContact CD2-CG2 4.17Å; F404-I420 HydrophobicContact CE2-CG2 4.32Å; L407-I420 HydrophobicContact CD1-CD1 4.38Å; L407-I420 HydrophobicContact CD1-CG2 4.22Å; L411-I420 HydrophobicContact CD2-CD1 3.65Å; K416-I420 HydrophobicContact CG-CD1 4.08Å; K416-I420 WeakPolarHBondContact O-CD1 3.5Å; K416-I420 VanDerWaalsContact O-CG1 3.25Å; K416-I420 WeakPolarHBondContact O-CG1 3.38Å; K416-I420 PolarHBondContact O-N 3.15Å; L417-I420 PolarHBondContact O-N 3.23Å; I420-K422 PolarHBondContact O-N 3.46Å; I420-D423 PolarHBondContact O-N 2.82Å; I420-Y424 VanDerWaalsContact O-CB 3.32Å; I420-Y424 WeakPolarHBondContact O-CB 3.33Å; I420-Y424 PolarHBondContact O-N 3.42Å; I420-M429 HydrophobicContact CG1-CE 4.11Å; I420-M429 HydrophobicContact CG2-CE 4.47Å; I420-M429 HydrophobicContact CG2-SD 4.03Å; I420-L434 HydrophobicContact CG2-CD1 3.51Å; I420-V437 HydrophobicContact CD1-CG1 3.87Å
421	R	98.8	Very high	98.4	Very high	89 Å²	89	57.5 Å²	57.5	34%	0.336	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-48.9	177.3	-166.1	-166.8	66.6	73	1.4	111.3	C398 F404 L417 E418 Q419 T425	C398-R421 HydrophobicContact CB-CG 4.33Å; F404-R421 HydrophobicContact CE1-CG 4.28Å; F404-R421 HydrophobicContact CE2-CB 3.62Å; F404-R421 HydrophobicContact CE2-CG 3.98Å; F404-R421 HydrophobicContact CZ-CB 3.61Å; F404-R421 HydrophobicContact CZ-CG 3.56Å; L417-R421 PolarHBondContact O-N 3.25Å; E418-R421 WeakPolarHBondContact O-CB 3.37Å; E418-R421 PolarHBondContact O-N 3.26Å; E418-R421 IonicContact OE1-CZ 2.77Å; E418-R421 IonicContact OE1-NE 2.71Å; E418-R421 PolarHBondContact OE1-NE 3.25Å; E418-R421 IonicContact OE1-NH2 3.8Å; E418-R421 PolarHBondContact OE1-NH2 3.45Å; E418-R421 IonicContact OE2-CZ 3.45Å; E418-R421 IonicContact OE2-NE 2.75Å; E418-R421 PolarHBondContact OE2-NE 3.49Å; E418-R421 IonicContact OE2-NH2 2.99Å; Q419-R421 VanDerWaalsContact C-N 3.29Å; Q419-R421 PolarHBondContact O-N 3.45Å; R421-T425 VanDerWaalsContact O-CB 3.27Å; R421-T425 WeakPolarHBondContact O-CB 3.4Å; R421-T425 PolarHBondContact O-N 3.1Å; R421-T425 PolarHBondContact O-OG1 3.42Å; R421-T425 VanDerWaalsContact O-OG1 3.05Å
422	K	98.7	Very high	98.4	Very high	107 Å²	107	59.4 Å²	59.4	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-45.4	178.5	-73.3	172.5	179.1	164.9	0	112.1	E418 Q419 I420 S426	E418-K422 HydrophobicContact CG-CD 4.48Å; E418-K422 WeakPolarHBondContact O-CG 3.25Å; E418-K422 PolarHBondContact O-N 2.81Å; E418-K422 WeakPolarHBondContact OE1-CE 3.46Å; E418-K422 IonicContact OE1-NZ 3.68Å; Q419-K422 PolarHBondContact O-N 3.09Å; I420-K422 PolarHBondContact O-N 3.46Å; K422-S426 WeakPolarHBondContact O-CB 3.29Å; K422-S426 PolarHBondContact O-N 3.38Å; K422-S426 PolarHBondContact O-OG 2.87Å
423	D	98.8	Very high	98.5	Very high	44 Å²	44	57.8 Å²	57.8	24%	0.235	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-39	-177.4	-67.3	-22.7	0	0	0	111.8	Q419 I420 S426 G427 A428 M429	Q419-D423 PolarHBondContact NE2-OD1 2.78Å; Q419-D423 PolarHBondContact NE2-OD2 3.49Å; Q419-D423 VanDerWaalsContact O-CG 3.32Å; Q419-D423 PolarHBondContact O-N 3.26Å; I420-D423 PolarHBondContact O-N 2.82Å; D423-S426 PolarHBondContact O-OG 2.97Å; D423-S426 VanDerWaalsContact O-OG 3.07Å; D423-G427 PolarHBondContact O-N 3.38Å; D423-A428 HydrophobicContact CB-CB 4.26Å; D423-A428 PolarHBondContact O-N 3.16Å; D423-M429 HydrophobicContact CB-CB 3.8Å; D423-M429 HydrophobicContact CB-CE 4.22Å; D423-M429 PolarHBondContact O-N 3.22Å
424	Y	98.8	Very high	98.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.1	-44.2	176.5	-166.8	-124.5	0	0	0	111.7	G384 H391 G396 D401 I420 S426 G427 M429 T431 L434	G384-Y424 WeakPolarHBondContact CA-OH 3.43Å; G384-Y424 PolarHBondContact N-OH 2.68Å; H391-Y424 AromaticContact CE1-CE2 3.42Å; H391-Y424 VanDerWaalsContact CE1-CE2 3.42Å; H391-Y424 WeakPolarHBondContact CE1-CE2 3.26Å; H391-Y424 AromaticContact CE1-CZ 3.94Å; H391-Y424 AromaticContact NE2-CD2 3.77Å; H391-Y424 AromaticContact NE2-CE2 3.53Å; G396-Y424 PolarHBondContact N-O 3.37Å; D401-Y424 HydrophobicContact CB-CE1 3.94Å; D401-Y424 WeakPolarHBondContact OD2-CE1 3.45Å; D401-Y424 PolarHBondContact OD2-OH 2.87Å; I420-Y424 VanDerWaalsContact O-CB 3.32Å; I420-Y424 WeakPolarHBondContact O-CB 3.33Å; I420-Y424 PolarHBondContact O-N 3.42Å; Y424-S426 VanDerWaalsContact C-N 3.3Å; Y424-S426 PolarHBondContact O-N 2.81Å; Y424-G427 PolarHBondContact O-N 2.66Å; Y424-G427 VanDerWaalsContact O-N 3.12Å; Y424-M429 WeakPolarHBondContact CD2-O 3.43Å; Y424-T431 PolarHBondContact OH-OG1 3.09Å; Y424-L434 HydrophobicContact CD1-CD2 3.91Å; Y424-L434 HydrophobicContact CD2-CB 4.43Å; Y424-L434 HydrophobicContact CD2-CD2 4.06Å; Y424-L434 HydrophobicContact CE1-CD2 3.66Å; Y424-L434 HydrophobicContact CE2-CB 4.44Å; Y424-L434 HydrophobicContact CE2-CD2 3.87Å; Y424-L434 HydrophobicContact CG-CD2 4.08Å
425	T	98.4	Very high	98.6	Very high	62 Å²	62	52.6 Å²	52.6	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-66.9	-28.4	178.5	-63.7	0	0	0	0	113.4	G395 G396 C398 R421	G395-T425 WeakPolarHBondContact CA-O 3.43Å; G396-T425 WeakPolarHBondContact O-CA 3.45Å; C398-T425 PolarHBondContact SG-OG1 3.44Å; R421-T425 VanDerWaalsContact O-CB 3.27Å; R421-T425 WeakPolarHBondContact O-CB 3.4Å; R421-T425 PolarHBondContact O-N 3.1Å; R421-T425 PolarHBondContact O-OG1 3.42Å; R421-T425 VanDerWaalsContact O-OG1 3.05Å
426	S	98.4	Very high	98.6	Very high	70 Å²	70	52.1 Å²	52.1	49%	0.49	28%	0.275	S	S	.	.	H	α-helix	trans	-82.9	-12	173.8	60.3	0	0	0	0	114	K422 D423 Y424 A428	K422-S426 WeakPolarHBondContact O-CB 3.29Å; K422-S426 PolarHBondContact O-N 3.38Å; K422-S426 PolarHBondContact O-OG 2.87Å; D423-S426 PolarHBondContact O-OG 2.97Å; D423-S426 VanDerWaalsContact O-OG 3.07Å; Y424-S426 VanDerWaalsContact C-N 3.3Å; Y424-S426 PolarHBondContact O-N 2.81Å; S426-A428 VanDerWaalsContact C-N 3.29Å; S426-A428 WeakPolarHBondContact OG-CB 3.36Å; S426-A428 PolarHBondContact OG-N 3.34Å
427	G	98.1	Very high	98.6	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.021	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	5	-172.5	0	0	0	0	0	114.1	H391 R392 D423 Y424 M429	H391-G427 VanDerWaalsContact O-CA 3.25Å; H391-G427 WeakPolarHBondContact O-CA 3.46Å; R392-G427 WeakPolarHBondContact CD-O 3.44Å; R392-G427 PolarHBondContact NH1-O 2.87Å; D423-G427 PolarHBondContact O-N 3.38Å; Y424-G427 PolarHBondContact O-N 2.66Å; Y424-G427 VanDerWaalsContact O-N 3.12Å; G427-M429 VanDerWaalsContact C-N 3.33Å
428	A	98.4	Very high	98.6	Very high	55 Å²	55	47.7 Å²	47.7	46%	0.455	26%	0.257	S	S	.	.	S	Bend	trans	-67.7	-33.2	174.5	0	0	0	0	0	112.3	R392 D423 S426	R392-A428 PolarHBondContact NH1-O 3.43Å; D423-A428 HydrophobicContact CB-CB 4.26Å; D423-A428 PolarHBondContact O-N 3.16Å; S426-A428 VanDerWaalsContact C-N 3.29Å; S426-A428 WeakPolarHBondContact OG-CB 3.36Å; S426-A428 PolarHBondContact OG-N 3.34Å
429	M	98.6	Very high	98.6	Very high	26 Å²	26	45.1 Å²	45.1	13%	0.128	25%	0.245	C	C	.	.	S	Bend	trans	-103.3	132.2	172.4	-178.3	176.9	-63.3	0	0	110.2	H391 I420 D423 Y424 G427 E433 L434	H391-M429 PolarHBondContact NE2-O 3.4Å; I420-M429 HydrophobicContact CG1-CE 4.11Å; I420-M429 HydrophobicContact CG2-CE 4.47Å; I420-M429 HydrophobicContact CG2-SD 4.03Å; D423-M429 HydrophobicContact CB-CB 3.8Å; D423-M429 HydrophobicContact CB-CE 4.22Å; D423-M429 PolarHBondContact O-N 3.22Å; Y424-M429 WeakPolarHBondContact CD2-O 3.43Å; G427-M429 VanDerWaalsContact C-N 3.33Å; M429-E433 WeakPolarHBondContact CA-OE2 3.36Å; M429-E433 HydrophobicContact CG-CB 3.84Å; M429-L434 HydrophobicContact SD-CB 4.14Å; M429-L434 HydrophobicContact SD-CD1 4.42Å
430	L	98.6	Very high	98.6	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.199	25%	0.247	C	C	.	.			trans	-84.8	157	174.9	-59.5	-179	0	0	0	111.5	I388 G432 E433 L434	I388-L430 HydrophobicContact CG2-CD2 4.26Å; L430-G432 PolarHBondContact O-N 3.07Å; L430-E433 HydrophobicContact CB-CG 4.4Å; L430-E433 PolarHBondContact N-OE2 2.92Å; L430-E433 WeakPolarHBondContact O-CB 3.45Å; L430-E433 PolarHBondContact O-N 3.24Å; L430-L434 PolarHBondContact O-N 3.19Å
431	T	98.5	Very high	98.6	Very high	25 Å²	25	46.4 Å²	46.4	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-38	176.7	-54.4	0	0	0	0	113.1	S382 Y424 E433 L434 K435	S382-T431 VanDerWaalsContact OG-CG2 3.29Å; S382-T431 WeakPolarHBondContact OG-CG2 3.49Å; S382-T431 PolarHBondContact OG-OG1 2.93Å; Y424-T431 PolarHBondContact OH-OG1 3.09Å; T431-E433 VanDerWaalsContact C-N 3.28Å; T431-E433 PolarHBondContact O-N 3.41Å; T431-L434 PolarHBondContact O-N 2.97Å; T431-K435 HydrophobicContact CG2-CD 4.31Å; T431-K435 HydrophobicContact CG2-CG 4.4Å; T431-K435 WeakPolarHBondContact O-CB 3.4Å; T431-K435 WeakPolarHBondContact O-CG 3.3Å; T431-K435 PolarHBondContact O-N 3.15Å
432	G	98.3	Very high	98.6	Very high	52 Å²	52	42.2 Å²	42.2	54%	0.536	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-34.1	177.1	0	0	0	0	0	113.2	L430 K436	L430-G432 PolarHBondContact O-N 3.07Å; G432-K436 WeakPolarHBondContact O-CB 3.35Å; G432-K436 PolarHBondContact O-N 3.23Å; G432-K436 VanDerWaalsContact O-N 3.11Å
433	E	98.6	Very high	98.6	Very high	95 Å²	95	39.8 Å²	39.8	44%	0.444	23%	0.228	S	C	.	.	H	α-helix	trans	-74.7	-43.4	177.1	-61.4	172.2	139	0	0	110.6	M429 L430 T431 K435 K436 V437	M429-E433 WeakPolarHBondContact CA-OE2 3.36Å; M429-E433 HydrophobicContact CG-CB 3.84Å; L430-E433 HydrophobicContact CB-CG 4.4Å; L430-E433 PolarHBondContact N-OE2 2.92Å; L430-E433 WeakPolarHBondContact O-CB 3.45Å; L430-E433 PolarHBondContact O-N 3.24Å; T431-E433 VanDerWaalsContact C-N 3.28Å; T431-E433 PolarHBondContact O-N 3.41Å; E433-K435 PolarHBondContact O-N 3.03Å; E433-K436 WeakPolarHBondContact O-CB 3.34Å; E433-K436 PolarHBondContact O-N 3.44Å; E433-K436 VanDerWaalsContact O-N 3.16Å; E433-V437 WeakPolarHBondContact O-CG2 3.45Å; E433-V437 PolarHBondContact O-N 3.46Å
434	L	98.8	Very high	98.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56	-49.8	172.9	176.6	66.6	0	0	0	111.7	D401 F404 L407 I420 Y424 M429 L430 T431 K436 V437 L438	D401-L434 WeakPolarHBondContact OD1-CD2 3.13Å; F404-L434 HydrophobicContact CB-CD2 4.23Å; F404-L434 HydrophobicContact CD2-CD1 4.47Å; L407-L434 HydrophobicContact CD1-CD1 3.55Å; I420-L434 HydrophobicContact CG2-CD1 3.51Å; Y424-L434 HydrophobicContact CD1-CD2 3.91Å; Y424-L434 HydrophobicContact CD2-CB 4.43Å; Y424-L434 HydrophobicContact CD2-CD2 4.06Å; Y424-L434 HydrophobicContact CE1-CD2 3.66Å; Y424-L434 HydrophobicContact CE2-CB 4.44Å; Y424-L434 HydrophobicContact CE2-CD2 3.87Å; Y424-L434 HydrophobicContact CG-CD2 4.08Å; M429-L434 HydrophobicContact SD-CB 4.14Å; M429-L434 HydrophobicContact SD-CD1 4.42Å; L430-L434 PolarHBondContact O-N 3.19Å; T431-L434 PolarHBondContact O-N 2.97Å; L434-K436 VanDerWaalsContact C-N 3.29Å; L434-K436 PolarHBondContact O-N 3.38Å; L434-V437 PolarHBondContact O-N 3.26Å; L434-L438 PolarHBondContact O-N 2.86Å
435	K	98.8	Very high	98.6	Very high	19 Å²	19	42.1 Å²	42.1	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-38.1	177.1	-76.7	-172.2	177.6	-159.4	0	112.1	V376 N377 A380 S403 T431 E433 L438 I439	V376-K435 HydrophobicContact CG1-CB 3.93Å; V376-K435 HydrophobicContact CG1-CD 4.25Å; V376-K435 HydrophobicContact CG1-CG 3.95Å; V376-K435 WeakPolarHBondContact O-CE 3.44Å; V376-K435 PolarHBondContact O-NZ 2.99Å; N377-K435 PolarHBondContact O-NZ 3.09Å; N377-K435 VanDerWaalsContact O-NZ 3.08Å; A380-K435 WeakPolarHBondContact O-CE 3.18Å; A380-K435 PolarHBondContact O-NZ 2.9Å; S403-K435 WeakPolarHBondContact OG-CG 3.38Å; T431-K435 HydrophobicContact CG2-CD 4.31Å; T431-K435 HydrophobicContact CG2-CG 4.4Å; T431-K435 WeakPolarHBondContact O-CB 3.4Å; T431-K435 WeakPolarHBondContact O-CG 3.3Å; T431-K435 PolarHBondContact O-N 3.15Å; E433-K435 PolarHBondContact O-N 3.03Å; K435-L438 PolarHBondContact O-N 3.34Å; K435-I439 WeakPolarHBondContact O-CD1 3.33Å; K435-I439 WeakPolarHBondContact O-CG1 3.44Å; K435-I439 PolarHBondContact O-N 3.5Å
436	K	98.8	Very high	98.6	Very high	127 Å²	127	39.2 Å²	39.2	55%	0.552	23%	0.225	S	C	*	.	H	α-helix	trans	-61.3	-45.7	175.5	-177.2	-177.5	171.9	-171.3	0	111.4	G432 E433 L434 L438 I439 E440	G432-K436 WeakPolarHBondContact O-CB 3.35Å; G432-K436 PolarHBondContact O-N 3.23Å; G432-K436 VanDerWaalsContact O-N 3.11Å; E433-K436 WeakPolarHBondContact O-CB 3.34Å; E433-K436 PolarHBondContact O-N 3.44Å; E433-K436 VanDerWaalsContact O-N 3.16Å; L434-K436 VanDerWaalsContact C-N 3.29Å; L434-K436 PolarHBondContact O-N 3.38Å; K436-L438 VanDerWaalsContact C-N 3.32Å; K436-L438 PolarHBondContact O-N 2.99Å; K436-I439 PolarHBondContact O-N 2.91Å; K436-E440 WeakPolarHBondContact CE-OE1 3.44Å; K436-E440 WeakPolarHBondContact O-CG 3.23Å; K436-E440 PolarHBondContact O-N 2.9Å
437	V	98.8	Very high	98.6	Very high	24 Å²	24	38.3 Å²	38.3	15%	0.145	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-43.6	175.8	178.7	0	0	0	0	111.1	L407 I420 E433 L434 I439 E440 V441	L407-V437 HydrophobicContact CD1-CG1 4.44Å; L407-V437 HydrophobicContact CD2-CG1 4.11Å; I420-V437 HydrophobicContact CD1-CG1 3.87Å; E433-V437 WeakPolarHBondContact O-CG2 3.45Å; E433-V437 PolarHBondContact O-N 3.46Å; L434-V437 PolarHBondContact O-N 3.26Å; V437-I439 PolarHBondContact O-N 3.43Å; V437-E440 PolarHBondContact O-N 3.49Å; V437-V441 WeakPolarHBondContact O-CG2 3.46Å; V437-V441 PolarHBondContact O-N 2.85Å; V437-V441 VanDerWaalsContact O-N 3.15Å
438	L	98.8	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-43.7	175.9	175.7	62.8	0	0	0	112.4	V376 Y406 L407 L434 K435 K436 E440 V441 L442	V376-L438 HydrophobicContact CG1-CD2 4Å; V376-L438 HydrophobicContact CG2-CD2 4.21Å; Y406-L438 HydrophobicContact CD2-CD1 4.48Å; Y406-L438 HydrophobicContact CD2-CD2 4.01Å; Y406-L438 HydrophobicContact CG-CD2 4.34Å; L407-L438 HydrophobicContact CD2-CB 4.17Å; L407-L438 HydrophobicContact CD2-CD1 4.07Å; L407-L438 HydrophobicContact CG-CB 4.27Å; L407-L438 HydrophobicContact CG-CD1 4.18Å; L434-L438 PolarHBondContact O-N 2.86Å; K435-L438 PolarHBondContact O-N 3.34Å; K436-L438 VanDerWaalsContact C-N 3.32Å; K436-L438 PolarHBondContact O-N 2.99Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 3.48Å; L438-V441 PolarHBondContact O-N 3.4Å; L438-V441 VanDerWaalsContact O-N 3.09Å; L438-L442 HydrophobicContact CD1-CD1 3.78Å; L438-L442 HydrophobicContact CD1-CD2 4.21Å; L438-L442 HydrophobicContact CD1-CG 3.69Å; L438-L442 HydrophobicContact CD2-CD1 4.27Å; L438-L442 HydrophobicContact CG-CD1 3.83Å; L438-L442 HydrophobicContact CG-CG 4.12Å; L438-L442 WeakPolarHBondContact O-CG 3.38Å; L438-L442 PolarHBondContact O-N 2.96Å
439	I	98.8	Very high	98.6	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-42.2	178	-69.4	158.5	0	0	0	110.6	K373 V376 K435 K436 V437 V441 L442 Q443	K373-I439 HydrophobicContact CB-CD1 4.32Å; K373-I439 HydrophobicContact CB-CG2 4.19Å; K373-I439 HydrophobicContact CG-CD1 3.99Å; V376-I439 HydrophobicContact CB-CD1 4.17Å; V376-I439 HydrophobicContact CB-CG1 3.85Å; V376-I439 HydrophobicContact CG1-CD1 4.07Å; V376-I439 HydrophobicContact CG1-CG1 3.85Å; V376-I439 HydrophobicContact CG2-CG1 4.13Å; K435-I439 WeakPolarHBondContact O-CD1 3.33Å; K435-I439 WeakPolarHBondContact O-CG1 3.44Å; K435-I439 PolarHBondContact O-N 3.5Å; K436-I439 PolarHBondContact O-N 2.91Å; V437-I439 PolarHBondContact O-N 3.43Å; I439-V441 PolarHBondContact O-N 3.49Å; I439-L442 PolarHBondContact O-N 3.33Å; I439-Q443 HydrophobicContact CG2-CG 3.96Å; I439-Q443 WeakPolarHBondContact O-CB 3.37Å; I439-Q443 VanDerWaalsContact O-CG 3.29Å; I439-Q443 WeakPolarHBondContact O-CG 3.26Å; I439-Q443 PolarHBondContact O-N 3.44Å
440	E	98.6	Very high	98.6	Very high	102 Å²	102	42 Å²	42	48%	0.477	23%	0.229	S	C	.	.	H	α-helix	trans	-65	-22.4	176.9	-71.2	171.3	-174.1	0	0	113.1	K436 V437 L438 P444	K436-E440 WeakPolarHBondContact CE-OE1 3.44Å; K436-E440 WeakPolarHBondContact O-CG 3.23Å; K436-E440 PolarHBondContact O-N 2.9Å; V437-E440 PolarHBondContact O-N 3.49Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 3.48Å; E440-P444 WeakPolarHBondContact O-CD 3.44Å; E440-P444 WeakPolarHBondContact O-CG 3.41Å
441	V	98.8	Very high	98.6	Very high	26 Å²	26	42.7 Å²	42.7	16%	0.158	24%	0.24	C	C	.	.	H	α-helix	trans	-85.5	-45.2	172.8	172.7	0	0	0	0	111.7	L407 F410 L411 V437 L438 I439 P444 L445	L407-V441 HydrophobicContact CD2-CB 4.48Å; L407-V441 HydrophobicContact CD2-CG2 4.01Å; F410-V441 HydrophobicContact CB-CG1 3.55Å; L411-V441 HydrophobicContact CB-CG2 4.47Å; L411-V441 HydrophobicContact CD1-CG2 3.93Å; V437-V441 WeakPolarHBondContact O-CG2 3.46Å; V437-V441 PolarHBondContact O-N 2.85Å; V437-V441 VanDerWaalsContact O-N 3.15Å; L438-V441 PolarHBondContact O-N 3.4Å; L438-V441 VanDerWaalsContact O-N 3.09Å; I439-V441 PolarHBondContact O-N 3.49Å; V441-P444 WeakPolarHBondContact O-CD 3.41Å; V441-P444 WeakPolarHBondContact O-CG 3.37Å; V441-L445 WeakPolarHBondContact O-CB 3.38Å; V441-L445 PolarHBondContact O-N 3.3Å
442	L	98.7	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-75	-34.8	-174	-67.3	-177.8	0	0	0	113.6	I363 I372 V376 Y406 F410 L438 I439 L445 I446	I363-L442 HydrophobicContact CD1-CD1 3.61Å; I372-L442 HydrophobicContact CG2-CB 3.9Å; I372-L442 HydrophobicContact CG2-CD1 4.37Å; V376-L442 HydrophobicContact CG2-CD1 4.14Å; Y406-L442 HydrophobicContact CD2-CD1 4.31Å; F410-L442 HydrophobicContact CD2-CD2 3.64Å; F410-L442 HydrophobicContact CE2-CD2 4.03Å; F410-L442 HydrophobicContact CG-CD2 4.28Å; L438-L442 HydrophobicContact CD1-CD1 3.78Å; L438-L442 HydrophobicContact CD1-CD2 4.21Å; L438-L442 HydrophobicContact CD1-CG 3.69Å; L438-L442 HydrophobicContact CD2-CD1 4.27Å; L438-L442 HydrophobicContact CG-CD1 3.83Å; L438-L442 HydrophobicContact CG-CG 4.12Å; L438-L442 WeakPolarHBondContact O-CG 3.38Å; L438-L442 PolarHBondContact O-N 2.96Å; I439-L442 PolarHBondContact O-N 3.33Å; L442-L445 HydrophobicContact CD2-CD2 4.16Å; L442-L445 PolarHBondContact O-N 2.98Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 3.19Å
443	Q	98.7	Very high	98.6	Very high	57 Å²	57	46.8 Å²	46.8	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-53.2	179.6	-76.3	-178.5	-16.1	0	0	113.1	A369 I372 I439 A447	A369-Q443 HydrophobicContact CB-CG 4.19Å; A369-Q443 PolarHBondContact O-NE2 2.87Å; I372-Q443 HydrophobicContact CD1-CG 4.37Å; I372-Q443 HydrophobicContact CG2-CG 4.31Å; I439-Q443 HydrophobicContact CG2-CG 3.96Å; I439-Q443 WeakPolarHBondContact O-CB 3.37Å; I439-Q443 VanDerWaalsContact O-CG 3.29Å; I439-Q443 WeakPolarHBondContact O-CG 3.26Å; I439-Q443 PolarHBondContact O-N 3.44Å; Q443-A447 WeakPolarHBondContact O-CB 3.47Å; Q443-A447 PolarHBondContact O-N 3.3Å
444	P	98.4	Very high	98.6	Very high	57 Å²	57	50.4 Å²	50.4	37%	0.37	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-40.7	176.4	24.2	-32.6	0	0	0	111.9	E440 V441 I446 A447 E448	E440-P444 WeakPolarHBondContact O-CD 3.44Å; E440-P444 WeakPolarHBondContact O-CG 3.41Å; V441-P444 WeakPolarHBondContact O-CD 3.41Å; V441-P444 WeakPolarHBondContact O-CG 3.37Å; P444-I446 VanDerWaalsContact C-N 3.35Å; P444-I446 PolarHBondContact O-N 3.49Å; P444-A447 PolarHBondContact O-N 2.91Å; P444-E448 VanDerWaalsContact O-CB 3.31Å; P444-E448 WeakPolarHBondContact O-CB 3.34Å; P444-E448 VanDerWaalsContact O-CG 3.24Å; P444-E448 WeakPolarHBondContact O-CG 3.2Å; P444-E448 PolarHBondContact O-N 3.05Å
445	L	98.4	Very high	98.6	Very high	36 Å²	36	57.2 Å²	57.2	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-52.1	-51.4	177	174.3	70.1	0	0	0	112.3	L178 F410 V441 L442 H449	L178-L445 HydrophobicContact CD1-CD2 4.43Å; F410-L445 HydrophobicContact CB-CD2 4.5Å; F410-L445 HydrophobicContact CD1-CD2 3.47Å; F410-L445 VanDerWaalsContact CD1-CD2 3.47Å; F410-L445 HydrophobicContact CD2-CD2 4.3Å; F410-L445 HydrophobicContact CE1-CD2 3.62Å; F410-L445 HydrophobicContact CE2-CD2 4.38Å; F410-L445 HydrophobicContact CG-CD2 3.85Å; F410-L445 HydrophobicContact CZ-CD2 4.08Å; V441-L445 WeakPolarHBondContact O-CB 3.38Å; V441-L445 PolarHBondContact O-N 3.3Å; L442-L445 HydrophobicContact CD2-CD2 4.16Å; L442-L445 PolarHBondContact O-N 2.98Å; L445-H449 PolarHBondContact O-N 3.1Å; L445-H449 VanDerWaalsContact O-N 3.15Å
446	I	98.6	Very high	98.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-73.8	-40.7	-178.1	-67.9	166.9	0	0	0	110.6	V175 I363 L365 I372 L442 P444 E448 H449 Q450	V175-I446 HydrophobicContact CG1-CD1 3.8Å; V175-I446 HydrophobicContact CG1-CG1 4.11Å; I363-I446 HydrophobicContact CG2-CD1 3.6Å; L365-I446 WeakPolarHBondContact O-CG2 3.42Å; I372-I446 HydrophobicContact CD1-CB 3.97Å; I372-I446 HydrophobicContact CD1-CD1 3.47Å; I372-I446 VanDerWaalsContact CD1-CD1 3.47Å; I372-I446 HydrophobicContact CD1-CG1 4.29Å; I372-I446 HydrophobicContact CD1-CG2 4.11Å; I372-I446 HydrophobicContact CG1-CD1 3.84Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 3.19Å; P444-I446 VanDerWaalsContact C-N 3.35Å; P444-I446 PolarHBondContact O-N 3.49Å; I446-E448 VanDerWaalsContact C-N 3.33Å; I446-E448 PolarHBondContact O-N 3.47Å; I446-H449 PolarHBondContact O-N 3.42Å; I446-Q450 HydrophobicContact CG2-CG 4.24Å; I446-Q450 VanDerWaalsContact CG2-NE2 3.34Å; I446-Q450 WeakPolarHBondContact O-CB 3.19Å; I446-Q450 VanDerWaalsContact O-CG 3.26Å; I446-Q450 WeakPolarHBondContact O-CG 3.42Å; I446-Q450 PolarHBondContact O-N 3.45Å
447	A	98.7	Very high	98.5	Very high	50 Å²	50	53.9 Å²	53.9	41%	0.413	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-40.1	178.4	0	0	0	0	0	112.3	Q443 P444 Q450 A451	Q443-A447 WeakPolarHBondContact O-CB 3.47Å; Q443-A447 PolarHBondContact O-N 3.3Å; P444-A447 PolarHBondContact O-N 2.91Å; A447-Q450 PolarHBondContact O-N 3.07Å; A447-A451 WeakPolarHBondContact O-CB 3.39Å; A447-A451 PolarHBondContact O-N 3.06Å
448	E	98.6	Very high	98.4	Very high	106 Å²	106	57.7 Å²	57.7	50%	0.495	29%	0.294	S	S	.	.	H	α-helix	trans	-68.7	-39.4	175.6	-72.6	175	-160.1	0	0	112.3	P444 I446 A451 R452	P444-E448 VanDerWaalsContact O-CB 3.31Å; P444-E448 WeakPolarHBondContact O-CB 3.34Å; P444-E448 VanDerWaalsContact O-CG 3.24Å; P444-E448 WeakPolarHBondContact O-CG 3.2Å; P444-E448 PolarHBondContact O-N 3.05Å; I446-E448 VanDerWaalsContact C-N 3.33Å; I446-E448 PolarHBondContact O-N 3.47Å; E448-A451 PolarHBondContact O-N 2.94Å; E448-R452 WeakPolarHBondContact O-CG 3.22Å; E448-R452 PolarHBondContact O-N 3.1Å; E448-R452 IonicContact OE2-NH1 2.7Å
449	H	98.6	Very high	98.4	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-48	172.1	175.6	-83.5	0	0	0	110.9	D225 L445 I446 A451 R452 R453	D225-H449 PolarHBondContact O-NE2 3.32Å; D225-H449 IonicContact OD1-CE1 3.64Å; D225-H449 PolarHBondContact OD1-CE1 3.01Å; L445-H449 PolarHBondContact O-N 3.1Å; L445-H449 VanDerWaalsContact O-N 3.15Å; I446-H449 PolarHBondContact O-N 3.42Å; H449-A451 VanDerWaalsContact C-N 3.29Å; H449-A451 PolarHBondContact O-N 3.23Å; H449-R452 PolarHBondContact O-N 2.97Å; H449-R453 WeakPolarHBondContact O-CB 3.49Å; H449-R453 PolarHBondContact O-N 3.33Å
450	Q	98.5	Very high	98.4	Very high	52 Å²	52	66.1 Å²	66.1	24%	0.243	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-39.2	175.9	-72.1	171.6	-0.2	0	0	112.2	L365 D367 I446 A447 K454	L365-Q450 VanDerWaalsContact O-CG 3.23Å; L365-Q450 WeakPolarHBondContact O-CG 3.38Å; L365-Q450 PolarHBondContact O-NE2 3.05Å; D367-Q450 PolarHBondContact O-NE2 3.25Å; I446-Q450 HydrophobicContact CG2-CG 4.24Å; I446-Q450 VanDerWaalsContact CG2-NE2 3.34Å; I446-Q450 WeakPolarHBondContact O-CB 3.19Å; I446-Q450 VanDerWaalsContact O-CG 3.26Å; I446-Q450 WeakPolarHBondContact O-CG 3.42Å; I446-Q450 PolarHBondContact O-N 3.45Å; A447-Q450 PolarHBondContact O-N 3.07Å; Q450-K454 WeakPolarHBondContact O-CG 3.35Å; Q450-K454 PolarHBondContact O-N 3.47Å; Q450-K454 VanDerWaalsContact O-N 3.12Å
451	A	98.7	Very high	98.3	Very high	51 Å²	51	61.4 Å²	61.4	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-50	175.9	0	0	0	0	0	111	A447 E448 H449 R453 K454	A447-A451 WeakPolarHBondContact O-CB 3.39Å; A447-A451 PolarHBondContact O-N 3.06Å; E448-A451 PolarHBondContact O-N 2.94Å; H449-A451 VanDerWaalsContact C-N 3.29Å; H449-A451 PolarHBondContact O-N 3.23Å; A451-R453 VanDerWaalsContact C-N 3.33Å; A451-R453 PolarHBondContact O-N 2.97Å; A451-K454 WeakPolarHBondContact O-CB 3.17Å; A451-K454 PolarHBondContact O-N 2.96Å
452	R	98.6	Very high	98.3	Very high	102 Å²	102	67.3 Å²	67.3	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-39.6	176.2	-70.8	-172.7	-62.9	-88.8	-2.5	112.5	A228 E448 H449 K454 E455	A228-R452 HydrophobicContact CB-CB 4.18Å; A228-R452 PolarHBondContact O-NE 3.02Å; E448-R452 WeakPolarHBondContact O-CG 3.22Å; E448-R452 PolarHBondContact O-N 3.1Å; E448-R452 IonicContact OE2-NH1 2.7Å; H449-R452 PolarHBondContact O-N 2.97Å; R452-K454 VanDerWaalsContact C-N 3.29Å; R452-K454 PolarHBondContact O-N 2.7Å; R452-E455 PolarHBondContact O-N 3.29Å; R452-E455 VanDerWaalsContact O-N 3.14Å
453	R	98.3	Very high	98.3	Very high	61 Å²	61	71.6 Å²	71.6	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-61.3	-35.8	177.6	-166.7	-165.7	-173	-81	0.3	112.3	E221 K224 D225 A228 H449 A451 E455 V456	E221-R453 PolarHBondContact O-NH2 3.04Å; E221-R453 IonicContact OE2-CZ 3.67Å; E221-R453 IonicContact OE2-NH1 2.72Å; E221-R453 IonicContact OE2-NH2 3.33Å; E221-R453 PolarHBondContact OE2-NH2 2.92Å; K224-R453 HydrophobicContact CB-CG 4.43Å; D225-R453 WeakPolarHBondContact OD1-CD 3.48Å; D225-R453 IonicContact OD1-CZ 3.23Å; D225-R453 IonicContact OD1-NE 3.68Å; D225-R453 PolarHBondContact OD1-NE 2.83Å; A228-R453 HydrophobicContact CB-CB 3.73Å; A228-R453 HydrophobicContact CB-CG 4.3Å; H449-R453 WeakPolarHBondContact O-CB 3.49Å; H449-R453 PolarHBondContact O-N 3.33Å; A451-R453 VanDerWaalsContact C-N 3.33Å; A451-R453 PolarHBondContact O-N 2.97Å; R453-E455 PolarHBondContact O-N 3.45Å; R453-V456 WeakPolarHBondContact O-CB 3.48Å; R453-V456 PolarHBondContact O-N 3.27Å; R453-V456 VanDerWaalsContact O-N 3.14Å
454	K	98.3	Very high	98.3	Very high	172 Å²	172	69.2 Å²	69.2	75%	0.748	35%	0.345	S	S	*	.	H	α-helix	trans	-65.1	-27.8	176.7	-75.5	170.8	-177.7	179.1	0	113.1	Q450 A451 R452 V456	Q450-K454 WeakPolarHBondContact O-CG 3.35Å; Q450-K454 PolarHBondContact O-N 3.47Å; Q450-K454 VanDerWaalsContact O-N 3.12Å; A451-K454 WeakPolarHBondContact O-CB 3.17Å; A451-K454 PolarHBondContact O-N 2.96Å; R452-K454 VanDerWaalsContact C-N 3.29Å; R452-K454 PolarHBondContact O-N 2.7Å; K454-V456 VanDerWaalsContact C-N 3.28Å
455	E	98.3	Very high	98.3	Very high	143 Å²	143	67.5 Å²	67.5	67%	0.668	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.7	176.3	-54.4	-55.3	135.9	0	0	112.6	R452 R453 T457 I460	R452-E455 PolarHBondContact O-N 3.29Å; R452-E455 VanDerWaalsContact O-N 3.14Å; R453-E455 PolarHBondContact O-N 3.45Å; E455-T457 PolarHBondContact O-N 2.95Å; E455-T457 VanDerWaalsContact O-N 3.15Å; E455-I460 WeakPolarHBondContact O-CD1 3.28Å
456	V	98.4	Very high	98.4	Very high	15 Å²	15	68.6 Å²	68.6	9%	0.091	34%	0.34	C	S	.	.			trans	-79.9	97.9	177.1	-173.4	0	0	0	0	109.5	K224 I227 R453 K454 I460 A461	K224-V456 HydrophobicContact CB-CG1 4.22Å; K224-V456 HydrophobicContact CG-CG1 3.96Å; I227-V456 HydrophobicContact CB-CG1 4.19Å; I227-V456 HydrophobicContact CB-CG2 4.11Å; I227-V456 HydrophobicContact CD1-CG1 3.95Å; I227-V456 HydrophobicContact CG2-CB 4.47Å; I227-V456 HydrophobicContact CG2-CG1 3.95Å; I227-V456 HydrophobicContact CG2-CG2 3.63Å; R453-V456 WeakPolarHBondContact O-CB 3.48Å; R453-V456 PolarHBondContact O-N 3.27Å; R453-V456 VanDerWaalsContact O-N 3.14Å; K454-V456 VanDerWaalsContact C-N 3.28Å; V456-I460 HydrophobicContact CG1-CB 4.38Å; V456-I460 HydrophobicContact CG1-CG2 4.11Å; V456-A461 HydrophobicContact CG1-CB 4.44Å
457	T	98	Very high	98.4	Very high	61 Å²	61	70.3 Å²	70.3	37%	0.374	35%	0.352	S	S	.	.			trans	-75.1	165.8	173.6	80.5	0	0	0	0	111.6	E455 E459 I460 A461	E455-T457 PolarHBondContact O-N 2.95Å; E455-T457 VanDerWaalsContact O-N 3.15Å; T457-E459 WeakPolarHBondContact CB-OE2 3.49Å; T457-E459 PolarHBondContact O-N 3.45Å; T457-E459 PolarHBondContact OG1-N 3.26Å; T457-E459 PolarHBondContact OG1-OE2 3.49Å; T457-I460 HydrophobicContact CG2-CD1 4.38Å; T457-I460 PolarHBondContact O-N 3.33Å; T457-I460 PolarHBondContact OG1-N 3.49Å; T457-A461 PolarHBondContact O-N 3.34Å
458	D	96.4	Very high	98.3	Very high	104 Å²	104	70.3 Å²	70.3	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-64.5	-30.7	175.9	-66.7	-27.2	0	0	0	111.5	K224 K462	K224-D458 VanDerWaalsContact CE-OD1 3.31Å; K224-D458 WeakPolarHBondContact CE-OD1 3.39Å; K224-D458 IonicContact NZ-OD1 2.8Å; K224-D458 PolarHBondContact NZ-OD1 2.97Å; D458-K462 WeakPolarHBondContact O-CB 3.45Å; D458-K462 PolarHBondContact O-N 3.01Å
459	E	98	Very high	98.3	Very high	134 Å²	134	71.3 Å²	71.3	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-65.8	-43.2	173.2	-60.5	73.2	-158.6	0	0	111.7	T457 K462 E463	T457-E459 WeakPolarHBondContact CB-OE2 3.49Å; T457-E459 PolarHBondContact O-N 3.45Å; T457-E459 PolarHBondContact OG1-N 3.26Å; T457-E459 PolarHBondContact OG1-OE2 3.49Å; E459-K462 PolarHBondContact O-N 2.99Å; E459-E463 WeakPolarHBondContact O-CB 3.49Å; E459-E463 PolarHBondContact O-N 2.98Å
460	I	98.4	Very high	98.2	Very high	55 Å²	55	71.5 Å²	71.5	28%	0.282	35%	0.347	S	S	.	.	H	α-helix	trans	-62.6	-49.6	175.9	-67	173.8	0	0	0	109.6	I227 I233 E455 V456 T457 K462 E463 F464	I227-I460 HydrophobicContact CG2-CG2 4.17Å; I233-I460 HydrophobicContact CD1-CG2 4.37Å; E455-I460 WeakPolarHBondContact O-CD1 3.28Å; V456-I460 HydrophobicContact CG1-CB 4.38Å; V456-I460 HydrophobicContact CG1-CG2 4.11Å; T457-I460 HydrophobicContact CG2-CD1 4.38Å; T457-I460 PolarHBondContact O-N 3.33Å; T457-I460 PolarHBondContact OG1-N 3.49Å; I460-K462 VanDerWaalsContact C-N 3.29Å; I460-K462 PolarHBondContact O-N 2.99Å; I460-E463 PolarHBondContact O-N 2.76Å; I460-E463 VanDerWaalsContact O-N 3.13Å; I460-F464 HydrophobicContact CG2-CD2 3.84Å; I460-F464 HydrophobicContact CG2-CE2 3.81Å; I460-F464 WeakPolarHBondContact O-CD2 3.48Å; I460-F464 PolarHBondContact O-N 2.84Å
461	A	98.1	Very high	98.1	Very high	3 Å²	3	72.2 Å²	72.2	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-44.8	178	0	0	0	0	0	111.5	K224 I227 V456 T457 E463 F464 M465	K224-A461 HydrophobicContact CG-CB 4.3Å; I227-A461 HydrophobicContact CD1-CB 4.22Å; V456-A461 HydrophobicContact CG1-CB 4.44Å; T457-A461 PolarHBondContact O-N 3.34Å; A461-E463 PolarHBondContact O-N 2.8Å; A461-F464 PolarHBondContact O-N 3.33Å; A461-M465 WeakPolarHBondContact O-CB 3.35Å; A461-M465 VanDerWaalsContact O-CG 3.29Å; A461-M465 WeakPolarHBondContact O-CG 3.44Å; A461-M465 PolarHBondContact O-N 3.39Å
462	K	98.3	Very high	97.9	Very high	150 Å²	150	71.7 Å²	71.7	65%	0.652	35%	0.346	S	S	*	.	H	α-helix	trans	-61.8	-41.4	175.6	-177.7	177.9	179.9	179.1	0	112.4	D458 E459 I460 M465 T466	D458-K462 WeakPolarHBondContact O-CB 3.45Å; D458-K462 PolarHBondContact O-N 3.01Å; E459-K462 PolarHBondContact O-N 2.99Å; I460-K462 VanDerWaalsContact C-N 3.29Å; I460-K462 PolarHBondContact O-N 2.99Å; K462-M465 CarbonylContact O-C 3.39Å; K462-M465 VanDerWaalsContact O-N 3.17Å; K462-M465 PolarHBondContact O-N 2.99Å; K462-T466 WeakPolarHBondContact O-CB 3.44Å; K462-T466 PolarHBondContact O-N 3.16Å; K462-T466 PolarHBondContact O-OG1 3.3Å
463	E	98.6	Very high	97.2	Very high	90 Å²	90	72.2 Å²	72.2	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-47.2	178.6	-177.2	178.6	164.5	0	0	111	I233 E459 I460 A461 M465 T466 R468	I233-E463 HydrophobicContact CD1-CB 4.01Å; I233-E463 HydrophobicContact CD1-CG 3.73Å; I233-E463 HydrophobicContact CG1-CG 4.16Å; E459-E463 WeakPolarHBondContact O-CB 3.49Å; E459-E463 PolarHBondContact O-N 2.98Å; I460-E463 PolarHBondContact O-N 2.76Å; I460-E463 VanDerWaalsContact O-N 3.13Å; A461-E463 PolarHBondContact O-N 2.8Å; E463-M465 PolarHBondContact O-N 3.21Å; E463-T466 PolarHBondContact O-N 2.93Å; E463-R468 VanDerWaalsContact O-CZ 3.29Å; E463-R468 PolarHBondContact O-NH1 3.23Å
464	F	98.8	Very high	96.3	Very high	6 Å²	6	70 Å²	70	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-55.5	-37.5	172	-88.9	-89.6	0	0	0	112.2	I227 F231 I233 T236 I238 I460 A461 R468	I227-F464 HydrophobicContact CB-CE2 4.42Å; I227-F464 HydrophobicContact CD1-CB 3.95Å; I227-F464 HydrophobicContact CD1-CD2 3.62Å; I227-F464 HydrophobicContact CD1-CE2 4.24Å; I227-F464 HydrophobicContact CD1-CG 3.82Å; I227-F464 HydrophobicContact CG1-CB 4.35Å; I227-F464 HydrophobicContact CG1-CD1 4.11Å; I227-F464 HydrophobicContact CG1-CD2 3.73Å; I227-F464 HydrophobicContact CG1-CE1 4.29Å; I227-F464 HydrophobicContact CG1-CE2 3.95Å; I227-F464 HydrophobicContact CG1-CG 3.81Å; I227-F464 HydrophobicContact CG1-CZ 4.22Å; I227-F464 HydrophobicContact CG2-CD2 4.14Å; I227-F464 HydrophobicContact CG2-CE2 3.62Å; I227-F464 HydrophobicContact CG2-CZ 4.01Å; F231-F464 HydrophobicContact CB-CE1 4.23Å; F231-F464 WeakPolarHBondContact O-CZ 3.31Å; I233-F464 VanDerWaalsContact CA-CZ 3.48Å; I233-F464 HydrophobicContact CB-CD2 4.33Å; I233-F464 HydrophobicContact CB-CE1 4.22Å; I233-F464 HydrophobicContact CB-CE2 3.64Å; I233-F464 HydrophobicContact CB-CZ 3.58Å; I233-F464 HydrophobicContact CD1-CD2 3.68Å; I233-F464 HydrophobicContact CD1-CE2 3.57Å; I233-F464 HydrophobicContact CD1-CZ 4.39Å; I233-F464 HydrophobicContact CG1-CD1 4.48Å; I233-F464 HydrophobicContact CG1-CD2 3.67Å; I233-F464 HydrophobicContact CG1-CE1 4.33Å; I233-F464 HydrophobicContact CG1-CE2 3.48Å; I233-F464 VanDerWaalsContact CG1-CE2 3.48Å; I233-F464 HydrophobicContact CG1-CG 4.18Å; I233-F464 HydrophobicContact CG1-CZ 3.84Å; T236-F464 HydrophobicContact CG2-CD1 4.02Å; T236-F464 HydrophobicContact CG2-CE1 4.02Å; I238-F464 HydrophobicContact CD1-CB 4.23Å; I238-F464 HydrophobicContact CD1-CD1 4.01Å; I238-F464 HydrophobicContact CD1-CG 4.36Å; I238-F464 HydrophobicContact CG1-CB 4.31Å; I238-F464 HydrophobicContact CG1-CD1 4.16Å; I238-F464 PolarHBondContact N-O 3.04Å; I460-F464 HydrophobicContact CG2-CD2 3.84Å; I460-F464 HydrophobicContact CG2-CE2 3.81Å; I460-F464 WeakPolarHBondContact O-CD2 3.48Å; I460-F464 PolarHBondContact O-N 2.84Å; A461-F464 PolarHBondContact O-N 3.33Å; F464-R468 PolarHBondContact O-NH1 3.44Å
465	M	98.8	Very high	94.5	Very high	21 Å²	21	71.4 Å²	71.4	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-87.7	-6.1	-176.7	-64.3	179.9	74.8	0	0	115.8	V220 A223 I238 A461 K462 E463 P467	V220-M465 HydrophobicContact CG2-CE 4.27Å; V220-M465 HydrophobicContact CG2-SD 4.34Å; A223-M465 HydrophobicContact CB-SD 3.89Å; I238-M465 HydrophobicContact CB-CG 4.13Å; I238-M465 HydrophobicContact CG2-CG 4.35Å; I238-M465 WeakPolarHBondContact O-CA 3.38Å; A461-M465 WeakPolarHBondContact O-CB 3.35Å; A461-M465 VanDerWaalsContact O-CG 3.29Å; A461-M465 WeakPolarHBondContact O-CG 3.44Å; A461-M465 PolarHBondContact O-N 3.39Å; K462-M465 CarbonylContact O-C 3.39Å; K462-M465 VanDerWaalsContact O-N 3.17Å; K462-M465 PolarHBondContact O-N 2.99Å; E463-M465 PolarHBondContact O-N 3.21Å; M465-P467 WeakPolarHBondContact O-CD 3.26Å
466	T	98.8	Very high	94.3	Very high	59 Å²	59	67.9 Å²	67.9	36%	0.362	34%	0.342	S	S	.	.	S	Bend	trans	-84.1	124.9	178.9	-63.6	0	0	0	0	109.8	K462 E463 R468	K462-T466 WeakPolarHBondContact O-CB 3.44Å; K462-T466 PolarHBondContact O-N 3.16Å; K462-T466 PolarHBondContact O-OG1 3.3Å; E463-T466 PolarHBondContact O-N 2.93Å; T466-R468 VanDerWaalsContact O-NH1 3.08Å; T466-R468 PolarHBondContact O-NH1 2.95Å; T466-R468 VanDerWaalsContact O-N 3.14Å; T466-R468 PolarHBondContact O-N 2.85Å
467	P	98.5	Very high	94.1	Very high	38 Å²	38	70.6 Å²	70.6	25%	0.247	36%	0.355	C	S	.	.			trans	-59.9	116.9	172.1	-21.6	32.7	0	0	0	110.5	F237 Y244 Q299 M465	F237-P467 HydrophobicContact CE2-CB 4.25Å; F237-P467 HydrophobicContact CE2-CG 4.01Å; F237-P467 HydrophobicContact CZ-CB 4.19Å; F237-P467 HydrophobicContact CZ-CG 3.91Å; Y244-P467 HydrophobicContact CD2-CG 3.81Å; Y244-P467 HydrophobicContact CE2-CB 4.07Å; Y244-P467 HydrophobicContact CE2-CG 3.82Å; Q299-P467 HydrophobicContact CG-CB 3.99Å; M465-P467 WeakPolarHBondContact O-CD 3.26Å
468	R	98.3	Very high	93.8	Very high	50 Å²	50	71.2 Å²	71.2	19%	0.189	35%	0.354	C	S	.	.			trans	-151.7	166.7	-177.6	68.8	-172	-179.4	-60.6	-3	110.5	I233 T236 Q299 I300 E463 F464 T466	I233-R468 PolarHBondContact O-NH2 3.42Å; T236-R468 PolarHBondContact O-NH2 3.1Å; Q299-R468 CarbonylContact O-C 3.46Å; I300-R468 WeakPolarHBondContact CG1-O 3.48Å; E463-R468 VanDerWaalsContact O-CZ 3.29Å; E463-R468 PolarHBondContact O-NH1 3.23Å; F464-R468 PolarHBondContact O-NH1 3.44Å; T466-R468 VanDerWaalsContact O-NH1 3.08Å; T466-R468 PolarHBondContact O-NH1 2.95Å; T466-R468 VanDerWaalsContact O-N 3.14Å; T466-R468 PolarHBondContact O-N 2.85Å
469	E	97.6	Very high	93.7	Very high	127 Å²	127	69.2 Å²	69.2	59%	0.593	34%	0.342	S	S	*	.			trans	-66.4	136.6	166.4	-170.9	173.6	-173.7	0	0	109.9	Q299	Q299-E469 VanDerWaalsContact O-CA 3.28Å; Q299-E469 WeakPolarHBondContact O-CA 3.4Å; Q299-E469 PolarHBondContact O-N 3.46Å
470	L	97.8	Very high	93.4	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.042	33%	0.325	C	S	.	.			trans	-92.6	165.9	173.1	-61.3	179.2	0	0	0	109.1	P194 N234 I300 F472	P194-L470 HydrophobicContact CB-CD1 3.73Å; N234-L470 CarbonylContact O-C 3.56Å; I300-L470 HydrophobicContact CD1-CD1 3.94Å; I300-L470 HydrophobicContact CD1-CG 4.31Å; I300-L470 HydrophobicContact CG1-CD1 4.22Å; I300-L470 HydrophobicContact CG1-CG 4.16Å; I300-L470 HydrophobicContact CG2-CB 4.47Å; I300-L470 HydrophobicContact CG2-CD1 3.85Å; I300-L470 HydrophobicContact CG2-CG 4.15Å; L470-F472 HydrophobicContact CB-CD2 4.23Å; L470-F472 PolarHBondContact O-N 3.17Å
471	S	95.9	Very high	93.1	Very high	67 Å²	67	65.9 Å²	65.9	47%	0.469	33%	0.328	S	S	.	.	S	Bend	trans	-69.8	49.9	-178.4	55.6	0	0	0	0	114.5	N234 K235	N234-S471 WeakPolarHBondContact CB-OG 3.4Å; N234-S471 WeakPolarHBondContact O-CB 3.49Å; N234-S471 PolarHBondContact O-N 3.44Å; N234-S471 PolarHBondContact O-OG 3.17Å; K235-S471 WeakPolarHBondContact CG-OG 3.17Å
472	F	93.9	Very high	92.7	Very high	40 Å²	40	70.4 Å²	70.4	18%	0.175	35%	0.349	C	S	.	.			trans	-143.9	137.9	178.6	-64.4	-79.2	0	0	0	109.1	N192 V193 P194 K235 L470 F474	N192-F472 WeakPolarHBondContact O-CE1 3.33Å; N192-F472 WeakPolarHBondContact O-CZ 3.46Å; V193-F472 VanDerWaalsContact C-CZ 3.47Å; P194-F472 HydrophobicContact CB-CD2 3.85Å; P194-F472 HydrophobicContact CB-CE2 3.84Å; P194-F472 HydrophobicContact CG-CD2 4.18Å; P194-F472 HydrophobicContact CG-CE2 4.27Å; P194-F472 VanDerWaalsContact N-CE2 3.31Å; K235-F472 HydrophobicContact CB-CE2 3.82Å; K235-F472 HydrophobicContact CB-CZ 4.44Å; K235-F472 HydrophobicContact CD-CE2 3.87Å; K235-F472 HydrophobicContact CD-CZ 3.71Å; K235-F472 HydrophobicContact CG-CD2 4.5Å; K235-F472 HydrophobicContact CG-CE2 3.51Å; K235-F472 HydrophobicContact CG-CZ 3.9Å; L470-F472 HydrophobicContact CB-CD2 4.23Å; L470-F472 PolarHBondContact O-N 3.17Å; F472-F474 HydrophobicContact CB-CD2 4.33Å; F472-F474 HydrophobicContact CB-CE1 4.25Å; F472-F474 HydrophobicContact CB-CE2 3.47Å; F472-F474 VanDerWaalsContact CB-CE2 3.47Å; F472-F474 HydrophobicContact CB-CZ 3.38Å; F472-F474 HydrophobicContact CG-CE2 4.44Å; F472-F474 HydrophobicContact CG-CZ 4.01Å
473	D	83.6	Confident	92.3	Very high	112 Å²	112	64.2 Å²	64.2	60%	0.599	33%	0.326	S	S	*	.			trans	-99.7	125.9	172.1	-165.6	-9.1	0	0	0	109.4	Q475	D473-Q475 VanDerWaalsContact OD1-CB 3.26Å; D473-Q475 WeakPolarHBondContact OD1-CB 3.48Å; D473-Q475 VanDerWaalsContact OD1-CG 3.29Å; D473-Q475 WeakPolarHBondContact OD1-CG 3.45Å; D473-Q475 PolarHBondContact OD1-N 3.3Å
474	F	80.8	Confident	91.8	Very high	14 Å²	14	62.1 Å²	62.1	6%	0.061	32%	0.318	C	S	.	.			trans	-112.4	11	178.2	-58.8	-74.4	0	0	0	112.9	P159 P194 I300 F301 R304 I307 F472	P159-F474 HydrophobicContact CB-CD1 4.1Å; P159-F474 HydrophobicContact CB-CE1 3.82Å; P159-F474 HydrophobicContact CG-CD1 4.27Å; P159-F474 HydrophobicContact CG-CE1 4.49Å; P194-F474 HydrophobicContact CG-CZ 3.84Å; I300-F474 HydrophobicContact CG2-CE2 4.29Å; I300-F474 WeakPolarHBondContact O-CD2 3.35Å; F301-F474 HydrophobicContact CD1-CD1 4.3Å; F301-F474 AromaticContact CD1-CD2 3.87Å; F301-F474 HydrophobicContact CD1-CD2 3.87Å; F301-F474 HydrophobicContact CD1-CE1 4.17Å; F301-F474 AromaticContact CD1-CE2 3.71Å; F301-F474 HydrophobicContact CD1-CE2 3.71Å; F301-F474 HydrophobicContact CD1-CG 4.17Å; F301-F474 AromaticContact CD1-CZ 3.91Å; F301-F474 HydrophobicContact CD1-CZ 3.91Å; F301-F474 HydrophobicContact CE1-CD2 4.38Å; F301-F474 HydrophobicContact CE1-CE1 4.09Å; F301-F474 AromaticContact CE1-CE2 3.76Å; F301-F474 HydrophobicContact CE1-CE2 3.76Å; F301-F474 AromaticContact CE1-CZ 3.63Å; F301-F474 HydrophobicContact CE1-CZ 3.63Å; R304-F474 PolarHBondContact NH1-O 3.12Å; I307-F474 HydrophobicContact CD1-CD1 4.14Å; F472-F474 HydrophobicContact CB-CD2 4.33Å; F472-F474 HydrophobicContact CB-CE1 4.25Å; F472-F474 HydrophobicContact CB-CE2 3.47Å; F472-F474 VanDerWaalsContact CB-CE2 3.47Å; F472-F474 HydrophobicContact CB-CZ 3.38Å; F472-F474 HydrophobicContact CG-CE2 4.44Å; F472-F474 HydrophobicContact CG-CZ 4.01Å
475	Q	58.6	Low	91.1	Very high	203 Å²	203	67.2 Å²	67.2	95%	0.949	34%	0.344	S	S	*	.			trans	-62.6	0	172.9	-70.7	-174	18.6	0	0	113.1	D473	D473-Q475 VanDerWaalsContact OD1-CB 3.26Å; D473-Q475 WeakPolarHBondContact OD1-CB 3.48Å; D473-Q475 VanDerWaalsContact OD1-CG 3.29Å; D473-Q475 WeakPolarHBondContact OD1-CG 3.45Å; D473-Q475 PolarHBondContact OD1-N 3.3Å

Retrieved 475 of 475 residues in 96.4 ms (Link to these results)

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