G4V7P4_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession G4V7P4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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	38.4	Very low	82.2	Confident	246 Å²	246	83.1 Å²	83.1	100%	1.212	44%	0.436	S	S	*	.				0	97.1	0	-67.9	-179.3	-128	0	0	106.2
2	T	52.8	Low	83.5	Confident	97 Å²	97	81.5 Å²	81.5	60%	0.595	44%	0.437	S	S	*	.			trans	-70.3	122.3	167.4	39.9	0	0	0	0	106.2	E4	T2-E4 PolarHBondContact O-N 3.03Å
3	S	60.5	Low	84.5	Confident	70 Å²	70	78.9 Å²	78.9	49%	0.49	42%	0.418	S	S	.	.			trans	-55.3	134	165.8	47.2	0	0	0	0	107.7	V5 E31	S3-V5 PolarHBondContact O-N 2.98Å; S3-E31 PolarHBondContact OG-OE1 3.41Å; S3-E31 VanDerWaalsContact OG-OE1 3.11Å
4	E	79.3	Confident	85.4	Confident	181 Å²	181	73.3 Å²	73.3	85%	0.846	39%	0.388	S	S	*	.			trans	-55.1	115.7	173.8	-106.1	175.9	156.6	0	0	108.3	T2	T2-E4 PolarHBondContact O-N 3.03Å
5	V	91	Very high	86.2	Confident	18 Å²	18	70.7 Å²	70.7	11%	0.109	37%	0.374	C	S	.	.			trans	-80.3	128.1	175	169.9	0	0	0	0	107.2	S3 V7 E32 Y35	S3-V5 PolarHBondContact O-N 2.98Å; V5-V7 PolarHBondContact O-N 2.85Å; V5-E32 HydrophobicContact CG1-CB 4.23Å; V5-E32 HydrophobicContact CG1-CG 3.99Å; V5-E32 HydrophobicContact CG2-CG 4.38Å; V5-Y35 HydrophobicContact CB-CD1 3.61Å; V5-Y35 HydrophobicContact CB-CD2 4.13Å; V5-Y35 HydrophobicContact CB-CE1 4.02Å; V5-Y35 HydrophobicContact CB-CE2 4.49Å; V5-Y35 HydrophobicContact CB-CG 3.67Å; V5-Y35 HydrophobicContact CG1-CD1 4.15Å; V5-Y35 HydrophobicContact CG2-CD1 4.12Å; V5-Y35 HydrophobicContact CG2-CD2 4.03Å; V5-Y35 HydrophobicContact CG2-CG 3.65Å
6	D	95.7	Very high	86.8	Confident	88 Å²	88	74 Å²	74	47%	0.471	39%	0.387	S	S	.	.			trans	-69.8	102.1	171.4	-170.2	-24.3	0	0	0	109.4	D8 E9 L10	D6-D8 VanDerWaalsContact C-N 3.26Å; D6-D8 PolarHBondContact O-N 2.77Å; D6-D8 WeakPolarHBondContact OD1-CA 3.48Å; D6-D8 WeakPolarHBondContact OD1-CB 3.26Å; D6-D8 PolarHBondContact OD1-N 3.45Å; D6-E9 HydrophobicContact CB-CB 3.92Å; D6-E9 PolarHBondContact OD1-N 3.29Å; D6-L10 PolarHBondContact O-N 2.79Å; D6-L10 VanDerWaalsContact O-N 3.16Å
7	V	96.7	Very high	87.2	Confident	16 Å²	16	70.9 Å²	70.9	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-30.8	180	177.6	0	0	0	0	111	V5 L10 I11 Y35 A107 I110	V5-V7 PolarHBondContact O-N 2.85Å; V7-L10 PolarHBondContact O-N 3.23Å; V7-I11 HydrophobicContact CG1-CD1 3.86Å; V7-I11 HydrophobicContact CG1-CG1 4.32Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.24Å; V7-I11 PolarHBondContact O-N 3.1Å; V7-Y35 HydrophobicContact CG2-CE1 3.76Å; V7-A107 HydrophobicContact CG1-CB 4.21Å; V7-I110 HydrophobicContact CG1-CG2 4.5Å; V7-I110 HydrophobicContact CG2-CG2 4.08Å
8	D	97.1	Very high	87.3	Confident	74 Å²	74	72.9 Å²	72.9	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-70.6	-44.1	179.6	-68.9	-25	0	0	0	110.5	D6 L10 I11 S12 K111	D6-D8 VanDerWaalsContact C-N 3.26Å; D6-D8 PolarHBondContact O-N 2.77Å; D6-D8 WeakPolarHBondContact OD1-CA 3.48Å; D6-D8 WeakPolarHBondContact OD1-CB 3.26Å; D6-D8 PolarHBondContact OD1-N 3.45Å; D8-L10 VanDerWaalsContact C-N 3.3Å; D8-L10 PolarHBondContact O-N 2.94Å; D8-I11 PolarHBondContact O-N 3.49Å; D8-S12 PolarHBondContact O-N 3.21Å; D8-S12 PolarHBondContact O-OG 3.05Å; D8-K111 VanDerWaalsContact OD1-CD 3.28Å; D8-K111 WeakPolarHBondContact OD1-CD 3.47Å; D8-K111 WeakPolarHBondContact OD1-CE 3.41Å; D8-K111 IonicContact OD1-NZ 3.81Å; D8-K111 PolarHBondContact OD1-NZ 2.74Å; D8-K111 IonicContact OD2-NZ 3.65Å; D8-K111 PolarHBondContact OD2-NZ 3.02Å
9	E	97	Very high	87.4	Confident	109 Å²	109	75.3 Å²	75.3	51%	0.509	40%	0.397	S	S	.	.	H	α-helix	trans	-59.2	-41.6	173.4	-171.9	-170.2	166.1	0	0	111.6	D6 S12 R13	D6-E9 HydrophobicContact CB-CB 3.92Å; D6-E9 PolarHBondContact OD1-N 3.29Å; E9-S12 PolarHBondContact O-N 3.24Å; E9-R13 PolarHBondContact O-N 3.3Å
10	L	97.4	Very high	87.6	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-66.9	-42.3	178.2	-178.2	56	0	0	0	112.2	D6 V7 D8 R13 L14 M28 E32 L36	D6-L10 PolarHBondContact O-N 2.79Å; D6-L10 VanDerWaalsContact O-N 3.16Å; V7-L10 PolarHBondContact O-N 3.23Å; D8-L10 VanDerWaalsContact C-N 3.3Å; D8-L10 PolarHBondContact O-N 2.94Å; L10-R13 PolarHBondContact O-N 3.08Å; L10-L14 HydrophobicContact CD1-CD1 4.2Å; L10-L14 HydrophobicContact CD1-CG 4.41Å; L10-L14 HydrophobicContact CG-CD1 4.04Å; L10-L14 WeakPolarHBondContact O-CB 3.18Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.26Å; L10-M28 HydrophobicContact CD1-CG 3.91Å; L10-M28 HydrophobicContact CD1-SD 4.35Å; L10-E32 HydrophobicContact CD2-CB 4.14Å; L10-L36 HydrophobicContact CD2-CD1 3.6Å; L10-L36 HydrophobicContact CD2-CD2 4Å; L10-L36 HydrophobicContact CD2-CG 3.81Å
11	I	98.1	Very high	87.8	Confident	15 Å²	15	80.4 Å²	80.4	8%	0.077	41%	0.414	C	S	.	.	H	α-helix	trans	-60.7	-46.6	173.6	-71	168.7	0	0	0	109.9	V7 D8 R13 L14 L15 A107 Y108 K111	V7-I11 HydrophobicContact CG1-CD1 3.86Å; V7-I11 HydrophobicContact CG1-CG1 4.32Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.24Å; V7-I11 PolarHBondContact O-N 3.1Å; D8-I11 PolarHBondContact O-N 3.49Å; I11-R13 PolarHBondContact O-N 2.81Å; I11-L14 WeakPolarHBondContact O-CB 3.24Å; I11-L14 PolarHBondContact O-N 2.89Å; I11-L14 VanDerWaalsContact O-N 3.15Å; I11-L15 HydrophobicContact CG2-CD1 3.76Å; I11-L15 HydrophobicContact CG2-CG 4.16Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 2.84Å; I11-A107 HydrophobicContact CD1-CB 4.08Å; I11-A107 HydrophobicContact CG1-CB 3.62Å; I11-Y108 HydrophobicContact CD1-CD1 4.12Å; I11-Y108 HydrophobicContact CD1-CE1 4.26Å; I11-Y108 HydrophobicContact CG2-CE1 4Å; I11-K111 HydrophobicContact CD1-CB 4.06Å; I11-K111 HydrophobicContact CD1-CG 4.31Å
12	S	97.3	Very high	90.3	Very high	64 Å²	64	73.2 Å²	73.2	45%	0.448	39%	0.385	S	S	.	.	H	α-helix	trans	-55.4	-50.4	177.5	-66.4	0	0	0	0	111.9	D8 E9 L14 L15 E16	D8-S12 PolarHBondContact O-N 3.21Å; D8-S12 PolarHBondContact O-OG 3.05Å; E9-S12 PolarHBondContact O-N 3.24Å; S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 3.19Å; S12-L15 PolarHBondContact O-N 3.36Å; S12-L15 VanDerWaalsContact O-N 3.09Å; S12-E16 WeakPolarHBondContact O-CG 3.32Å; S12-E16 PolarHBondContact O-N 3.13Å
13	R	97.1	Very high	92.1	Very high	48 Å²	48	70.5 Å²	70.5	18%	0.181	38%	0.377	C	S	.	.	H	α-helix	trans	-61	-38.4	176.8	-74.4	-173.7	-68.2	154.7	-12	113.2	E9 L10 I11 L15 V26 N27 E32	E9-R13 PolarHBondContact O-N 3.3Å; L10-R13 PolarHBondContact O-N 3.08Å; I11-R13 PolarHBondContact O-N 2.81Å; R13-L15 VanDerWaalsContact C-N 3.31Å; R13-V26 HydrophobicContact CB-CG1 4.19Å; R13-N27 PolarHBondContact NH1-O 2.94Å; R13-E32 IonicContact CZ-OE1 3.28Å; R13-E32 IonicContact CZ-OE2 3.81Å; R13-E32 IonicContact NH1-OE1 3.69Å; R13-E32 IonicContact NH1-OE2 2.8Å; R13-E32 PolarHBondContact NH1-OE2 3.05Å; R13-E32 VanDerWaalsContact NH1-OE2 3.11Å; R13-E32 IonicContact NH2-OE1 3.61Å; R13-E32 PolarHBondContact NH2-OE1 3.31Å; R13-E32 IonicContact NH2-OE2 3.19Å; R13-E32 PolarHBondContact NH2-OE2 2.83Å; R13-E32 VanDerWaalsContact NH2-OE2 3.08Å
14	L	97.7	Very high	93.8	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-37	175.7	-79.1	164.2	0	0	0	111.3	L10 I11 S12 V17 V26 M28 Y67 E100 C103 L104	L10-L14 HydrophobicContact CD1-CD1 4.2Å; L10-L14 HydrophobicContact CD1-CG 4.41Å; L10-L14 HydrophobicContact CG-CD1 4.04Å; L10-L14 WeakPolarHBondContact O-CB 3.18Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.26Å; I11-L14 WeakPolarHBondContact O-CB 3.24Å; I11-L14 PolarHBondContact O-N 2.89Å; I11-L14 VanDerWaalsContact O-N 3.15Å; S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 3.19Å; L14-V17 WeakPolarHBondContact O-CG2 3.35Å; L14-V26 HydrophobicContact CD2-CB 4.16Å; L14-V26 HydrophobicContact CD2-CG1 4.12Å; L14-V26 HydrophobicContact CD2-CG2 4.15Å; L14-V26 HydrophobicContact CG-CG1 4.35Å; L14-M28 HydrophobicContact CD2-SD 3.87Å; L14-Y67 WeakPolarHBondContact CB-OH 3.4Å; L14-Y67 PolarHBondContact O-OH 2.99Å; L14-E100 HydrophobicContact CD2-CB 4.33Å; L14-E100 HydrophobicContact CD2-CG 4.33Å; L14-C103 HydrophobicContact CD1-CB 4.27Å; L14-C103 HydrophobicContact CD2-CB 4.48Å; L14-L104 HydrophobicContact CB-CD1 4.06Å; L14-L104 HydrophobicContact CD1-CB 4.18Å; L14-L104 HydrophobicContact CD1-CD1 4.26Å
15	L	97.5	Very high	94.5	Very high	35 Å²	35	65 Å²	65	18%	0.183	35%	0.353	C	S	.	.	H	α-helix	trans	-82.3	-24.5	179.9	-64.3	-179.3	0	0	0	114.1	I11 S12 R13 V17 R18 L71 F79 L104 Y108	I11-L15 HydrophobicContact CG2-CD1 3.76Å; I11-L15 HydrophobicContact CG2-CG 4.16Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 2.84Å; S12-L15 PolarHBondContact O-N 3.36Å; S12-L15 VanDerWaalsContact O-N 3.09Å; R13-L15 VanDerWaalsContact C-N 3.31Å; L15-V17 PolarHBondContact O-N 2.89Å; L15-V17 VanDerWaalsContact O-N 3.14Å; L15-R18 VanDerWaalsContact O-CB 3.24Å; L15-R18 WeakPolarHBondContact O-CB 3.47Å; L15-R18 VanDerWaalsContact O-CD 3.29Å; L15-R18 WeakPolarHBondContact O-CD 3.41Å; L15-R18 WeakPolarHBondContact O-CG 3.19Å; L15-R18 PolarHBondContact O-N 2.78Å; L15-L71 HydrophobicContact CD2-CD2 3.68Å; L15-F79 HydrophobicContact CD1-CD1 4.44Å; L15-F79 HydrophobicContact CD2-CD1 4.17Å; L15-F79 HydrophobicContact CD2-CE1 3.66Å; L15-L104 HydrophobicContact CD2-CD1 4.19Å; L15-L104 HydrophobicContact CD2-CD2 4.08Å; L15-Y108 WeakPolarHBondContact CD1-OH 3.36Å
16	E	94.4	Very high	94.8	Very high	123 Å²	123	64.5 Å²	64.5	58%	0.575	35%	0.35	S	S	*	.	H	α-helix	trans	-57.8	-28.7	-179.9	-82.6	168.7	-164.9	0	0	113.6	S12 R18 S19	S12-E16 WeakPolarHBondContact O-CG 3.32Å; S12-E16 PolarHBondContact O-N 3.13Å; E16-R18 PolarHBondContact O-N 3.31Å; E16-S19 PolarHBondContact O-OG 3.41Å
17	V	93.4	Very high	94.7	Very high	22 Å²	22	67 Å²	67	13%	0.133	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-75.7	-3.7	180	-58.7	0	0	0	0	113.8	L14 L15 S19 S20 T24 V26 Y67 L71	L14-V17 WeakPolarHBondContact O-CG2 3.35Å; L15-V17 PolarHBondContact O-N 2.89Å; L15-V17 VanDerWaalsContact O-N 3.14Å; V17-S19 VanDerWaalsContact C-N 3.26Å; V17-S19 PolarHBondContact O-N 2.86Å; V17-S20 WeakPolarHBondContact O-CA 3.24Å; V17-S20 VanDerWaalsContact O-CB 3.28Å; V17-S20 WeakPolarHBondContact O-CB 3.33Å; V17-S20 PolarHBondContact O-N 3.41Å; V17-T24 HydrophobicContact CB-CG2 4.29Å; V17-T24 HydrophobicContact CG1-CG2 3.76Å; V17-V26 HydrophobicContact CB-CG2 4.38Å; V17-V26 HydrophobicContact CG1-CG2 3.66Å; V17-V26 HydrophobicContact CG2-CG2 3.76Å; V17-Y67 HydrophobicContact CG2-CD1 4.36Å; V17-Y67 HydrophobicContact CG2-CE1 3.62Å; V17-L71 HydrophobicContact CG2-CD1 4.35Å
18	R	90.4	Very high	94.7	Very high	106 Å²	106	66.5 Å²	66.5	40%	0.4	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-54.5	-41.8	172.6	-74.9	171.1	57	-162.7	-7.6	112.7	L15 E16 S20 L71 E75 F79	L15-R18 VanDerWaalsContact O-CB 3.24Å; L15-R18 WeakPolarHBondContact O-CB 3.47Å; L15-R18 VanDerWaalsContact O-CD 3.29Å; L15-R18 WeakPolarHBondContact O-CD 3.41Å; L15-R18 WeakPolarHBondContact O-CG 3.19Å; L15-R18 PolarHBondContact O-N 2.78Å; E16-R18 PolarHBondContact O-N 3.31Å; R18-S20 VanDerWaalsContact C-N 3.29Å; R18-L71 HydrophobicContact CG-CB 4.01Å; R18-L71 HydrophobicContact CG-CD1 3.67Å; R18-L71 HydrophobicContact CG-CD2 3.9Å; R18-L71 HydrophobicContact CG-CG 4.06Å; R18-E75 IonicContact CZ-OE1 3.75Å; R18-E75 IonicContact NE-OE1 2.82Å; R18-E75 PolarHBondContact NE-OE1 3.06Å; R18-E75 IonicContact NH2-OE1 3.7Å; R18-E75 PolarHBondContact NH2-OE1 2.64Å; R18-F79 VanDerWaalsContact CZ-CE2 3.48Å; R18-F79 VanDerWaalsContact NH1-CE2 3.28Å
19	S	87.9	Confident	94.7	Very high	118 Å²	118	69.4 Å²	69.4	83%	0.825	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-82.6	-3.6	176.1	34.3	0	0	0	0	114.1	E16 V17	E16-S19 PolarHBondContact O-OG 3.41Å; V17-S19 VanDerWaalsContact C-N 3.26Å; V17-S19 PolarHBondContact O-N 2.86Å
20	S	91.2	Very high	94.7	Very high	53 Å²	53	66.8 Å²	66.8	37%	0.371	36%	0.357	S	S	.	.	S	Bend	trans	-88.1	173.4	179	-64	0	0	0	0	112.1	V17 R18	V17-S20 WeakPolarHBondContact O-CA 3.24Å; V17-S20 VanDerWaalsContact O-CB 3.28Å; V17-S20 WeakPolarHBondContact O-CB 3.33Å; V17-S20 PolarHBondContact O-N 3.41Å; R18-S20 VanDerWaalsContact C-N 3.29Å
21	R	92.1	Very high	94.7	Very high	206 Å²	206	70.7 Å²	70.7	78%	0.777	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-62.1	136.8	172.8	-175.7	178.5	174.5	-179.8	-3.1	109.7	G23 T24	R21-G23 PolarHBondContact O-N 3.23Å; R21-T24 WeakPolarHBondContact O-CB 3.22Å; R21-T24 PolarHBondContact O-N 2.97Å; R21-T24 PolarHBondContact O-OG1 2.82Å
22	P	91.1	Very high	94.7	Very high	94 Å²	94	70.8 Å²	70.8	61%	0.61	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	133	172.1	-27.9	34.8	0	0	0	111.5	T68	P22-T68 HydrophobicContact CB-CG2 4.08Å; P22-T68 HydrophobicContact CG-CG2 4.14Å
23	G	91.9	Very high	94.7	Very high	41 Å²	41	67.7 Å²	67.7	42%	0.423	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-4.9	-173.2	0	0	0	0	0	115.3	R21 T25	R21-G23 PolarHBondContact O-N 3.23Å; G23-T25 PolarHBondContact O-N 2.78Å
24	T	95	Very high	94.8	Very high	55 Å²	55	69 Å²	69	34%	0.337	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-62.2	122.3	172	-70.1	0	0	0	0	109.6	V17 R21 Q97	V17-T24 HydrophobicContact CB-CG2 4.29Å; V17-T24 HydrophobicContact CG1-CG2 3.76Å; R21-T24 WeakPolarHBondContact O-CB 3.22Å; R21-T24 PolarHBondContact O-N 2.97Å; R21-T24 PolarHBondContact O-OG1 2.82Å; T24-Q97 PolarHBondContact O-NE2 3.43Å
25	T	95.2	Very high	94.8	Very high	81 Å²	81	70.9 Å²	70.9	50%	0.497	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-81.5	148.9	178.7	55.8	0	0	0	0	111.5	G23 E100	G23-T25 PolarHBondContact O-N 2.78Å; T25-E100 VanDerWaalsContact CA-OE1 3.25Å; T25-E100 WeakPolarHBondContact CA-OE1 3.48Å; T25-E100 WeakPolarHBondContact CB-OE1 3.37Å
26	V	96.3	Very high	94.9	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.042	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-95.4	131.6	175.7	-178	0	0	0	0	109.3	R13 L14 V17 M28 Y67 E100 R141	R13-V26 HydrophobicContact CB-CG1 4.19Å; L14-V26 HydrophobicContact CD2-CB 4.16Å; L14-V26 HydrophobicContact CD2-CG1 4.12Å; L14-V26 HydrophobicContact CD2-CG2 4.15Å; L14-V26 HydrophobicContact CG-CG1 4.35Å; V17-V26 HydrophobicContact CB-CG2 4.38Å; V17-V26 HydrophobicContact CG1-CG2 3.66Å; V17-V26 HydrophobicContact CG2-CG2 3.76Å; V26-M28 HydrophobicContact CB-CG 4.5Å; V26-M28 HydrophobicContact CG1-CG 4.05Å; V26-M28 PolarHBondContact O-N 3.07Å; V26-M28 VanDerWaalsContact O-N 3.15Å; V26-Y67 HydrophobicContact CG2-CE1 4.5Å; V26-E100 HydrophobicContact CB-CG 4.02Å; V26-E100 HydrophobicContact CG2-CG 3.89Å; V26-E100 PolarHBondContact N-OE1 2.77Å; V26-R141 PolarHBondContact O-NH2 2.97Å
27	N	94.1	Very high	95.1	Very high	139 Å²	139	63.4 Å²	63.4	74%	0.743	33%	0.33	S	S	*	.			trans	-78.8	97.4	176.6	-174.6	29.1	0	0	0	109.9	R13	R13-N27 PolarHBondContact NH1-O 2.94Å
28	M	96.7	Very high	95.3	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.03	34%	0.344	C	S	.	.			trans	-106.7	141.1	174.8	-58.7	175.4	-79.5	0	0	109.4	L10 L14 V26 E32 V33 L99 E100 C103 F142	L10-M28 HydrophobicContact CD1-CG 3.91Å; L10-M28 HydrophobicContact CD1-SD 4.35Å; L14-M28 HydrophobicContact CD2-SD 3.87Å; V26-M28 HydrophobicContact CB-CG 4.5Å; V26-M28 HydrophobicContact CG1-CG 4.05Å; V26-M28 PolarHBondContact O-N 3.07Å; V26-M28 VanDerWaalsContact O-N 3.15Å; M28-E32 WeakPolarHBondContact CA-OE2 3.2Å; M28-V33 HydrophobicContact CB-CG2 3.9Å; M28-V33 HydrophobicContact SD-CG2 4.28Å; M28-L99 HydrophobicContact CE-CB 4.4Å; M28-E100 HydrophobicContact CE-CG 4.26Å; M28-C103 HydrophobicContact CE-CB 4.34Å; M28-C103 HydrophobicContact SD-CB 3.68Å; M28-F142 HydrophobicContact CB-CZ 4.27Å; M28-F142 VanDerWaalsContact O-CE1 3.22Å; M28-F142 WeakPolarHBondContact O-CE1 3.43Å; M28-F142 WeakPolarHBondContact O-CZ 3.29Å
29	K	96.9	Very high	95.7	Very high	136 Å²	136	61.8 Å²	61.8	59%	0.591	33%	0.332	S	S	*	.			trans	-79.6	147.5	172.5	-58.7	174.5	-174.4	162.6	0	109.5	E31 E32 V33	K29-E31 PolarHBondContact O-N 2.91Å; K29-E31 VanDerWaalsContact O-N 3.16Å; K29-E32 HydrophobicContact CB-CB 4.49Å; K29-E32 HydrophobicContact CB-CG 3.97Å; K29-E32 PolarHBondContact N-OE2 3.08Å; K29-E32 WeakPolarHBondContact O-CB 3.4Å; K29-E32 PolarHBondContact O-N 3.25Å; K29-V33 PolarHBondContact O-N 2.89Å
30	E	97.4	Very high	96.2	Very high	53 Å²	53	56.2 Å²	56.2	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-32.8	177.7	-174.2	174.2	143.5	0	0	112.3	R34 F142 S143 L146	E30-R34 VanDerWaalsContact O-CB 3.29Å; E30-R34 WeakPolarHBondContact O-CB 3.45Å; E30-R34 PolarHBondContact O-N 3.27Å; E30-R34 IonicContact OE1-CZ 2.75Å; E30-R34 IonicContact OE1-NH2 3.59Å; E30-R34 PolarHBondContact OE1-NH2 3.08Å; E30-F142 HydrophobicContact CB-CD1 3.97Å; E30-F142 HydrophobicContact CB-CE1 4.41Å; E30-F142 HydrophobicContact CG-CD1 4.45Å; E30-S143 PolarHBondContact OE1-OG 2.68Å; E30-S143 PolarHBondContact OE2-OG 2.94Å; E30-L146 HydrophobicContact CG-CD1 4.09Å; E30-L146 HydrophobicContact CG-CD2 4.25Å
31	E	96.8	Very high	96.6	Very high	83 Å²	83	57.3 Å²	57.3	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-38.8	175	-177.7	167.6	-156.8	0	0	112.9	S3 K29 R34 Y35	S3-E31 PolarHBondContact OG-OE1 3.41Å; S3-E31 VanDerWaalsContact OG-OE1 3.11Å; K29-E31 PolarHBondContact O-N 2.91Å; K29-E31 VanDerWaalsContact O-N 3.16Å; E31-R34 PolarHBondContact O-N 2.84Å; E31-Y35 WeakPolarHBondContact O-CB 3.48Å; E31-Y35 PolarHBondContact O-N 3.07Å
32	E	97.9	Very high	96.9	Very high	16 Å²	16	53.3 Å²	53.3	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-47.9	177.1	-64.6	167.2	165	0	0	110.5	V5 L10 R13 M28 K29 R34 Y35 L36	V5-E32 HydrophobicContact CG1-CB 4.23Å; V5-E32 HydrophobicContact CG1-CG 3.99Å; V5-E32 HydrophobicContact CG2-CG 4.38Å; L10-E32 HydrophobicContact CD2-CB 4.14Å; R13-E32 IonicContact CZ-OE1 3.28Å; R13-E32 IonicContact CZ-OE2 3.81Å; R13-E32 IonicContact NH1-OE1 3.69Å; R13-E32 IonicContact NH1-OE2 2.8Å; R13-E32 PolarHBondContact NH1-OE2 3.05Å; R13-E32 VanDerWaalsContact NH1-OE2 3.11Å; R13-E32 IonicContact NH2-OE1 3.61Å; R13-E32 PolarHBondContact NH2-OE1 3.31Å; R13-E32 IonicContact NH2-OE2 3.19Å; R13-E32 PolarHBondContact NH2-OE2 2.83Å; R13-E32 VanDerWaalsContact NH2-OE2 3.08Å; M28-E32 WeakPolarHBondContact CA-OE2 3.2Å; K29-E32 HydrophobicContact CB-CB 4.49Å; K29-E32 HydrophobicContact CB-CG 3.97Å; K29-E32 PolarHBondContact N-OE2 3.08Å; K29-E32 WeakPolarHBondContact O-CB 3.4Å; K29-E32 PolarHBondContact O-N 3.25Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 2.99Å; E32-Y35 WeakPolarHBondContact O-CB 3.49Å; E32-Y35 PolarHBondContact O-N 3.14Å; E32-L36 WeakPolarHBondContact O-CG 3.36Å; E32-L36 PolarHBondContact O-N 3.15Å
33	V	98.3	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-40.1	178.8	-175.3	0	0	0	0	111.3	M28 K29 L36 C37 F142 L146 F150	M28-V33 HydrophobicContact CB-CG2 3.9Å; M28-V33 HydrophobicContact SD-CG2 4.28Å; K29-V33 PolarHBondContact O-N 2.89Å; V33-L36 PolarHBondContact O-N 3.18Å; V33-C37 PolarHBondContact O-N 3.25Å; V33-C37 VanDerWaalsContact O-N 3.11Å; V33-C37 PolarHBondContact O-SG 3.09Å; V33-F142 HydrophobicContact CG2-CE2 4.27Å; V33-F142 HydrophobicContact CG2-CZ 4.02Å; V33-L146 HydrophobicContact CB-CD1 4.2Å; V33-L146 HydrophobicContact CB-CD2 4.14Å; V33-L146 HydrophobicContact CG1-CD1 3.99Å; V33-L146 HydrophobicContact CG1-CD2 3.86Å; V33-L146 HydrophobicContact CG1-CG 4.24Å; V33-F150 HydrophobicContact CG1-CE1 4.24Å; V33-F150 HydrophobicContact CG1-CE2 3.61Å; V33-F150 HydrophobicContact CG1-CZ 3.26Å
34	R	98.2	Very high	97.6	Very high	74 Å²	74	48.2 Å²	48.2	28%	0.279	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-42.3	175.1	-172.6	-176.6	-57.9	129.8	1.7	111.5	E30 E31 E32 L36 C37 V38 L146 T149	E30-R34 VanDerWaalsContact O-CB 3.29Å; E30-R34 WeakPolarHBondContact O-CB 3.45Å; E30-R34 PolarHBondContact O-N 3.27Å; E30-R34 IonicContact OE1-CZ 2.75Å; E30-R34 IonicContact OE1-NH2 3.59Å; E30-R34 PolarHBondContact OE1-NH2 3.08Å; E31-R34 PolarHBondContact O-N 2.84Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 2.99Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-C37 PolarHBondContact O-N 3.49Å; R34-V38 HydrophobicContact CG-CG2 4.36Å; R34-V38 WeakPolarHBondContact O-CG2 3.5Å; R34-V38 PolarHBondContact O-N 3.45Å; R34-L146 HydrophobicContact CB-CD1 4.37Å; R34-T149 HydrophobicContact CG-CG2 4.19Å
35	Y	98.3	Very high	97.7	Very high	40 Å²	40	48.6 Å²	48.6	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-45.6	176	177.4	-88.8	0	0	0	111.4	V5 V7 E31 E32 C37 V38 T39	V5-Y35 HydrophobicContact CB-CD1 3.61Å; V5-Y35 HydrophobicContact CB-CD2 4.13Å; V5-Y35 HydrophobicContact CB-CE1 4.02Å; V5-Y35 HydrophobicContact CB-CE2 4.49Å; V5-Y35 HydrophobicContact CB-CG 3.67Å; V5-Y35 HydrophobicContact CG1-CD1 4.15Å; V5-Y35 HydrophobicContact CG2-CD1 4.12Å; V5-Y35 HydrophobicContact CG2-CD2 4.03Å; V5-Y35 HydrophobicContact CG2-CG 3.65Å; V7-Y35 HydrophobicContact CG2-CE1 3.76Å; E31-Y35 WeakPolarHBondContact O-CB 3.48Å; E31-Y35 PolarHBondContact O-N 3.07Å; E32-Y35 WeakPolarHBondContact O-CB 3.49Å; E32-Y35 PolarHBondContact O-N 3.14Å; Y35-C37 PolarHBondContact O-N 3.37Å; Y35-V38 PolarHBondContact O-N 3.04Å; Y35-T39 VanDerWaalsContact O-CB 3.27Å; Y35-T39 WeakPolarHBondContact O-CB 3.38Å; Y35-T39 PolarHBondContact O-N 3.43Å; Y35-T39 PolarHBondContact O-OG1 3.33Å
36	L	98.6	Very high	97.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.7	-49.5	175.2	-70.6	-177.4	0	0	0	111.5	L10 E32 V33 R34 S40 C103 L106 A107 I110	L10-L36 HydrophobicContact CD2-CD1 3.6Å; L10-L36 HydrophobicContact CD2-CD2 4Å; L10-L36 HydrophobicContact CD2-CG 3.81Å; E32-L36 WeakPolarHBondContact O-CG 3.36Å; E32-L36 PolarHBondContact O-N 3.15Å; V33-L36 PolarHBondContact O-N 3.18Å; R34-L36 VanDerWaalsContact C-N 3.35Å; L36-S40 VanDerWaalsContact O-CB 3.24Å; L36-S40 WeakPolarHBondContact O-CB 3.4Å; L36-S40 PolarHBondContact O-N 2.75Å; L36-S40 PolarHBondContact O-OG 3.3Å; L36-C103 HydrophobicContact CD1-CB 3.77Å; L36-C103 WeakPolarHBondContact CD1-O 3.46Å; L36-L106 HydrophobicContact CB-CB 4.25Å; L36-L106 HydrophobicContact CB-CD1 4.46Å; L36-A107 HydrophobicContact CD1-CB 4.45Å; L36-A107 HydrophobicContact CD2-CB 3.84Å; L36-I110 HydrophobicContact CB-CD1 4.45Å; L36-I110 HydrophobicContact CD2-CD1 3.65Å
37	C	98.7	Very high	98	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-46.2	-179.7	-63.6	0	0	0	0	112.8	V33 R34 Y35 S40 R41 T149 F150 C153	V33-C37 PolarHBondContact O-N 3.25Å; V33-C37 VanDerWaalsContact O-N 3.11Å; V33-C37 PolarHBondContact O-SG 3.09Å; R34-C37 PolarHBondContact O-N 3.49Å; Y35-C37 PolarHBondContact O-N 3.37Å; C37-S40 PolarHBondContact O-OG 3.28Å; C37-R41 WeakPolarHBondContact O-CB 3.42Å; C37-R41 PolarHBondContact O-N 3.09Å; C37-R41 VanDerWaalsContact O-N 3.08Å; C37-T149 HydrophobicContact CB-CG2 3.68Å; C37-F150 WeakPolarHBondContact SG-CD1 3.43Å; C37-F150 WeakPolarHBondContact SG-CE1 3.27Å; C37-C153 HydrophobicContact CB-CB 4.14Å
38	V	98.4	Very high	98.2	Very high	69 Å²	69	46.9 Å²	46.9	42%	0.418	24%	0.235	S	C	.	.	H	α-helix	trans	-68.8	-41.5	-176.3	172.3	0	0	0	0	111.1	R34 Y35 Q42	R34-V38 HydrophobicContact CG-CG2 4.36Å; R34-V38 WeakPolarHBondContact O-CG2 3.5Å; R34-V38 PolarHBondContact O-N 3.45Å; Y35-V38 PolarHBondContact O-N 3.04Å; V38-Q42 WeakPolarHBondContact O-CG 3.45Å; V38-Q42 PolarHBondContact O-N 3.22Å
39	T	98.4	Very high	98.3	Very high	26 Å²	26	47 Å²	47	16%	0.16	24%	0.236	C	C	.	.	H	α-helix	trans	-73.4	-46.7	-177.4	-51.5	0	0	0	0	111.2	Y35 R41 Q42 I43 I110	Y35-T39 VanDerWaalsContact O-CB 3.27Å; Y35-T39 WeakPolarHBondContact O-CB 3.38Å; Y35-T39 PolarHBondContact O-N 3.43Å; Y35-T39 PolarHBondContact O-OG1 3.33Å; T39-R41 VanDerWaalsContact C-N 3.3Å; T39-R41 PolarHBondContact O-N 2.9Å; T39-Q42 WeakPolarHBondContact O-CB 3.22Å; T39-Q42 PolarHBondContact O-N 3.32Å; T39-Q42 VanDerWaalsContact O-N 3.14Å; T39-I43 PolarHBondContact O-N 2.95Å; T39-I110 HydrophobicContact CG2-CD1 4.04Å; T39-I110 HydrophobicContact CG2-CG1 3.98Å; T39-I110 HydrophobicContact CG2-CG2 4.07Å
40	S	98.7	Very high	98.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-37.3	177	67.9	0	0	0	0	111.9	L36 C37 Q42 I43 F44 L106 C153	L36-S40 VanDerWaalsContact O-CB 3.24Å; L36-S40 WeakPolarHBondContact O-CB 3.4Å; L36-S40 PolarHBondContact O-N 2.75Å; L36-S40 PolarHBondContact O-OG 3.3Å; C37-S40 PolarHBondContact O-OG 3.28Å; S40-Q42 VanDerWaalsContact C-N 3.3Å; S40-Q42 PolarHBondContact O-N 2.94Å; S40-I43 WeakPolarHBondContact O-CB 3.43Å; S40-I43 PolarHBondContact O-N 3.06Å; S40-I43 VanDerWaalsContact O-N 3.1Å; S40-F44 WeakPolarHBondContact O-CD2 3.22Å; S40-F44 VanDerWaalsContact O-CG 3.31Å; S40-F44 WeakPolarHBondContact O-CG 3.42Å; S40-F44 PolarHBondContact O-N 2.82Å; S40-L106 WeakPolarHBondContact OG-CD2 3.28Å; S40-C153 PolarHBondContact OG-SG 3.21Å
41	R	98.7	Very high	98.5	Very high	77 Å²	77	38.3 Å²	38.3	29%	0.291	20%	0.197	S	C	.	.	H	α-helix	trans	-55.3	-42.4	172.4	-179.2	-179.9	176.2	-78.1	-3.2	112.7	C37 T39 F44 L45 D152 C156	C37-R41 WeakPolarHBondContact O-CB 3.42Å; C37-R41 PolarHBondContact O-N 3.09Å; C37-R41 VanDerWaalsContact O-N 3.08Å; T39-R41 VanDerWaalsContact C-N 3.3Å; T39-R41 PolarHBondContact O-N 2.9Å; R41-F44 PolarHBondContact O-N 2.95Å; R41-L45 HydrophobicContact CG-CD1 4.3Å; R41-L45 WeakPolarHBondContact O-CG 3.43Å; R41-L45 PolarHBondContact O-N 2.89Å; R41-D152 WeakPolarHBondContact CD-O 3.27Å; R41-D152 PolarHBondContact NE-O 3.33Å; R41-C156 HydrophobicContact CG-CB 3.97Å; R41-C156 VanDerWaalsContact CG-SG 3.56Å; R41-C156 PolarHBondContact NE-SG 2.84Å; R41-C156 VanDerWaalsContact NE-SG 3.4Å
42	Q	98.5	Very high	98.6	Very high	121 Å²	121	39 Å²	39	57%	0.565	20%	0.201	S	C	*	.	H	α-helix	trans	-63.5	-43.3	176.5	-70	172.3	-5.6	0	0	111.2	V38 T39 S40 L45 S46	V38-Q42 WeakPolarHBondContact O-CG 3.45Å; V38-Q42 PolarHBondContact O-N 3.22Å; T39-Q42 WeakPolarHBondContact O-CB 3.22Å; T39-Q42 PolarHBondContact O-N 3.32Å; T39-Q42 VanDerWaalsContact O-N 3.14Å; S40-Q42 VanDerWaalsContact C-N 3.3Å; S40-Q42 PolarHBondContact O-N 2.94Å; Q42-L45 PolarHBondContact O-N 3.18Å; Q42-S46 PolarHBondContact O-N 3.39Å; Q42-S46 PolarHBondContact O-OG 2.92Å
43	I	98.7	Very high	98.6	Very high	27 Å²	27	38.9 Å²	38.9	14%	0.138	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-44.1	176.9	-60.8	168.9	0	0	0	111	T39 S40 L45 S46 Q47 K109 I110 P113	T39-I43 PolarHBondContact O-N 2.95Å; S40-I43 WeakPolarHBondContact O-CB 3.43Å; S40-I43 PolarHBondContact O-N 3.06Å; S40-I43 VanDerWaalsContact O-N 3.1Å; I43-L45 VanDerWaalsContact C-N 3.32Å; I43-L45 PolarHBondContact O-N 3.14Å; I43-S46 WeakPolarHBondContact CA-OG 3.46Å; I43-S46 PolarHBondContact O-N 3.23Å; I43-S46 PolarHBondContact O-OG 2.78Å; I43-Q47 PolarHBondContact O-N 2.81Å; I43-K109 HydrophobicContact CG2-CD 4.44Å; I43-K109 HydrophobicContact CG2-CG 4.49Å; I43-I110 HydrophobicContact CD1-CB 4.29Å; I43-I110 HydrophobicContact CD1-CG1 3.96Å; I43-P113 HydrophobicContact CD1-CB 4.48Å; I43-P113 HydrophobicContact CG2-CB 3.91Å
44	F	98.8	Very high	98.6	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-40.6	177.7	-61.4	-50	0	0	0	111.9	S40 R41 S46 Q47 L106 K109 L118 C156 L157 R189	S40-F44 WeakPolarHBondContact O-CD2 3.22Å; S40-F44 VanDerWaalsContact O-CG 3.31Å; S40-F44 WeakPolarHBondContact O-CG 3.42Å; S40-F44 PolarHBondContact O-N 2.82Å; R41-F44 PolarHBondContact O-N 2.95Å; F44-S46 VanDerWaalsContact C-N 3.33Å; F44-Q47 PolarHBondContact O-N 3.24Å; F44-L106 HydrophobicContact CE2-CD2 3.91Å; F44-L106 HydrophobicContact CZ-CD2 3.89Å; F44-K109 HydrophobicContact CD1-CG 4.48Å; F44-K109 HydrophobicContact CE1-CD 4.02Å; F44-K109 HydrophobicContact CE1-CG 3.68Å; F44-K109 HydrophobicContact CZ-CG 3.91Å; F44-L118 HydrophobicContact CE1-CB 4.26Å; F44-L118 HydrophobicContact CZ-CB 4.42Å; F44-L118 HydrophobicContact CZ-CD1 4.14Å; F44-C156 HydrophobicContact CB-CB 4.28Å; F44-C156 VanDerWaalsContact CB-O 3.24Å; F44-C156 WeakPolarHBondContact CB-O 3.04Å; F44-L157 HydrophobicContact CD1-CD2 4.16Å; F44-L157 HydrophobicContact CD2-CD2 4.1Å; F44-L157 HydrophobicContact CE1-CD2 3.68Å; F44-L157 HydrophobicContact CE2-CD2 3.65Å; F44-L157 HydrophobicContact CE2-CG 4.43Å; F44-L157 HydrophobicContact CG-CD2 4.36Å; F44-L157 HydrophobicContact CZ-CD2 3.43Å; F44-L157 VanDerWaalsContact CZ-CD2 3.43Å; F44-R189 VanDerWaalsContact O-CZ 3.28Å; F44-R189 PolarHBondContact O-NH1 2.85Å; F44-R189 PolarHBondContact O-NH2 3.04Å; F44-R189 VanDerWaalsContact O-NH2 3.1Å
45	L	98.6	Very high	98.6	Very high	63 Å²	63	43.5 Å²	43.5	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-70	-28.1	177.2	-71.7	173.4	0	0	0	113.1	R41 Q42 I43 C156 R189	R41-L45 HydrophobicContact CG-CD1 4.3Å; R41-L45 WeakPolarHBondContact O-CG 3.43Å; R41-L45 PolarHBondContact O-N 2.89Å; Q42-L45 PolarHBondContact O-N 3.18Å; I43-L45 VanDerWaalsContact C-N 3.32Å; I43-L45 PolarHBondContact O-N 3.14Å; L45-C156 HydrophobicContact CD2-CB 4.04Å; L45-C156 HydrophobicContact CG-CB 4.03Å; L45-R189 HydrophobicContact CD2-CB 3.69Å
46	S	98.6	Very high	98.6	Very high	94 Å²	94	44.5 Å²	44.5	66%	0.657	24%	0.239	S	C	*	.	H	α-helix	trans	-78.4	-24.1	175.3	64.1	0	0	0	0	113.3	Q42 I43 F44	Q42-S46 PolarHBondContact O-N 3.39Å; Q42-S46 PolarHBondContact O-OG 2.92Å; I43-S46 WeakPolarHBondContact CA-OG 3.46Å; I43-S46 PolarHBondContact O-N 3.23Å; I43-S46 PolarHBondContact O-OG 2.78Å; F44-S46 VanDerWaalsContact C-N 3.33Å
47	Q	98.7	Very high	98.6	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	24%	0.241	C	C	.	.	S	Bend	trans	-91.6	154.5	175.9	-69.1	-179.5	-16.4	0	0	111.4	I43 F44 L51 P113 E114 R189	I43-Q47 PolarHBondContact O-N 2.81Å; F44-Q47 PolarHBondContact O-N 3.24Å; Q47-L51 HydrophobicContact CB-CD2 4.24Å; Q47-P113 PolarHBondContact NE2-O 3.28Å; Q47-E114 PolarHBondContact NE2-OE1 3.27Å; Q47-R189 PolarHBondContact O-NH2 3.05Å
48	P	98.6	Very high	98.5	Very high	80 Å²	80	46.1 Å²	46.1	52%	0.519	25%	0.247	S	C	.	.			trans	-58.3	150.9	177.1	-26.7	36.9	0	0	0	113.6	L50 L51	P48-L50 VanDerWaalsContact C-N 3.31Å; P48-L50 WeakPolarHBondContact CB-O 3.47Å; P48-L51 WeakPolarHBondContact O-CD2 3.37Å
49	I	98.8	Very high	98.6	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.041	23%	0.227	C	C	.	.	S	Bend	trans	-72.4	-28	173	-165	178.1	0	0	0	112.6	P158 I159 I184 I187 R189	I49-P158 CarbonylContact O-C 3.58Å; I49-P158 WeakPolarHBondContact O-CA 3.48Å; I49-P158 VanDerWaalsContact O-CB 3.23Å; I49-P158 WeakPolarHBondContact O-CB 3.18Å; I49-I159 HydrophobicContact CD1-CD1 4.39Å; I49-I159 HydrophobicContact CD1-CG1 4.37Å; I49-I159 HydrophobicContact CD1-CG2 4.02Å; I49-I159 HydrophobicContact CG1-CG1 4.21Å; I49-I159 HydrophobicContact CG1-CG2 4.07Å; I49-I159 PolarHBondContact O-N 2.86Å; I49-I184 HydrophobicContact CG2-CG2 4.45Å; I49-I184 WeakPolarHBondContact CG2-O 3.41Å; I49-I187 HydrophobicContact CD1-CB 3.74Å; I49-I187 HydrophobicContact CD1-CG2 3.58Å; I49-R189 HydrophobicContact CD1-CG 3.8Å; I49-R189 HydrophobicContact CG1-CG 4.35Å
50	L	98.9	Very high	98.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	102	166.2	177.5	61.4	0	0	0	107.1	P48 A160 I162 F168 M181 I184 R185	P48-L50 VanDerWaalsContact C-N 3.31Å; P48-L50 WeakPolarHBondContact CB-O 3.47Å; L50-A160 WeakPolarHBondContact CA-O 3.46Å; L50-A160 HydrophobicContact CD1-CB 3.63Å; L50-I162 HydrophobicContact CD1-CD1 4.11Å; L50-I162 HydrophobicContact CD1-CG1 4.09Å; L50-I162 HydrophobicContact CD2-CD1 3.97Å; L50-I162 HydrophobicContact CG-CD1 4.28Å; L50-F168 HydrophobicContact CD1-CE2 4.49Å; L50-M181 HydrophobicContact CD2-CB 3.85Å; L50-M181 HydrophobicContact CD2-CG 4.38Å; L50-M181 HydrophobicContact CD2-SD 4.33Å; L50-I184 HydrophobicContact CB-CG2 3.82Å; L50-I184 HydrophobicContact CD1-CG2 4.33Å; L50-I184 HydrophobicContact CG-CG2 4.49Å; L50-R185 HydrophobicContact CB-CG 4.04Å; L50-R185 HydrophobicContact CD2-CG 3.96Å
51	L	98.9	Very high	98.6	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	142.1	-179.2	-60.3	173.8	0	0	0	110.3	Q47 P48 L53 F117 L119 P158 A160 A161 I162	Q47-L51 HydrophobicContact CB-CD2 4.24Å; P48-L51 WeakPolarHBondContact O-CD2 3.37Å; L51-L53 HydrophobicContact CB-CD1 4.41Å; L51-L53 HydrophobicContact CB-CD2 4Å; L51-L53 HydrophobicContact CB-CG 4.02Å; L51-L53 HydrophobicContact CD1-CD1 4.5Å; L51-F117 HydrophobicContact CD1-CB 3.97Å; L51-F117 HydrophobicContact CD1-CD1 3.86Å; L51-F117 HydrophobicContact CD1-CG 4.25Å; L51-L119 HydrophobicContact CD1-CD2 3.92Å; L51-P158 HydrophobicContact CD1-CB 4.18Å; L51-P158 HydrophobicContact CD1-CG 3.8Å; L51-P158 HydrophobicContact CD2-CB 4.24Å; L51-P158 HydrophobicContact CD2-CG 4.31Å; L51-P158 HydrophobicContact CG-CB 3.89Å; L51-P158 HydrophobicContact CG-CG 4.03Å; L51-A160 PolarHBondContact N-O 3.32Å; L51-A161 HydrophobicContact CB-CB 3.82Å; L51-A161 HydrophobicContact CD1-CB 4.48Å; L51-A161 CarbonylContact O-C 3.59Å; L51-A161 VanDerWaalsContact O-CA 3.24Å; L51-A161 WeakPolarHBondContact O-CA 3.24Å; L51-I162 PolarHBondContact O-N 3.35Å
52	E	98.7	Very high	98.6	Very high	98 Å²	98	38 Å²	38	46%	0.458	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.3	171.1	-58.9	-75.6	177.6	0	0	106.2	R185	E52-R185 IonicContact OE1-CZ 3.3Å; E52-R185 IonicContact OE1-NH2 2.79Å; E52-R185 PolarHBondContact OE1-NH2 2.99Å
53	L	98.7	Very high	98.6	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.073	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	161.2	-169.4	-55.7	-177.2	0	0	0	110.8	L51 L57 L86 F117 A161 I162 V163 D164	L51-L53 HydrophobicContact CB-CD1 4.41Å; L51-L53 HydrophobicContact CB-CD2 4Å; L51-L53 HydrophobicContact CB-CG 4.02Å; L51-L53 HydrophobicContact CD1-CD1 4.5Å; L53-L57 HydrophobicContact CD1-CD1 4.25Å; L53-L86 HydrophobicContact CD1-CB 4.44Å; L53-L86 HydrophobicContact CD1-CD1 3.96Å; L53-L86 HydrophobicContact CD1-CD2 4.14Å; L53-L86 HydrophobicContact CD1-CG 4.42Å; L53-F117 HydrophobicContact CD1-CB 4.27Å; L53-F117 HydrophobicContact CD1-CD2 3.95Å; L53-F117 HydrophobicContact CD1-CE2 4.46Å; L53-F117 HydrophobicContact CD1-CG 3.99Å; L53-F117 HydrophobicContact CD2-CD1 3.72Å; L53-F117 HydrophobicContact CD2-CD2 3.88Å; L53-F117 HydrophobicContact CD2-CE1 3.5Å; L53-F117 HydrophobicContact CD2-CE2 3.68Å; L53-F117 HydrophobicContact CD2-CG 3.9Å; L53-F117 HydrophobicContact CD2-CZ 3.48Å; L53-F117 VanDerWaalsContact CD2-CZ 3.48Å; L53-A161 HydrophobicContact CD1-CB 3.89Å; L53-A161 HydrophobicContact CG-CB 4.32Å; L53-I162 PolarHBondContact N-O 3.43Å; L53-V163 HydrophobicContact CB-CG2 4.4Å; L53-V163 WeakPolarHBondContact O-CA 3.09Å; L53-D164 PolarHBondContact O-N 3.42Å
54	Q	98.2	Very high	98.6	Very high	154 Å²	154	31.3 Å²	31.3	72%	0.72	17%	0.174	S	C	*	.			trans	-122.9	144.4	177.1	-66.5	-180	-26.9	0	0	110.2
55	A	97.9	Very high	98.6	Very high	17 Å²	17	31.3 Å²	31.3	14%	0.14	18%	0.175	C	C	.	.	S	Bend	trans	-69.5	155.4	166.2	0	0	0	0	0	110.8	L57 V163 D164 V283 D284 L287	A55-L57 HydrophobicContact CB-CD2 4.14Å; A55-V163 HydrophobicContact CB-CG1 4.47Å; A55-D164 VanDerWaalsContact CB-OD2 3.24Å; A55-D164 WeakPolarHBondContact CB-OD2 3.41Å; A55-D164 PolarHBondContact N-OD2 2.82Å; A55-V283 HydrophobicContact CB-CG1 3.99Å; A55-D284 WeakPolarHBondContact CB-O 3.11Å; A55-L287 HydrophobicContact CB-CD2 4.25Å
56	P	98.2	Very high	98.5	Very high	60 Å²	60	29.8 Å²	29.8	39%	0.39	17%	0.166	S	C	.	.	S	Bend	cis	-79.9	141.1	4.5	32.9	-33.5	0	0	0	112.5	N84 V283 E285	P56-N84 WeakPolarHBondContact O-CB 3.04Å; P56-N84 PolarHBondContact O-ND2 3.47Å; P56-V283 VanDerWaalsContact CA-O 3.24Å; P56-V283 WeakPolarHBondContact CA-O 3.31Å; P56-E285 HydrophobicContact CG-CG 4.3Å
57	L	98.2	Very high	98.5	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160.6	172.9	77.5	164.3	0	0	0	112.5	L53 A55 I59 N84 L86 V163 V283	L53-L57 HydrophobicContact CD1-CD1 4.25Å; A55-L57 HydrophobicContact CB-CD2 4.14Å; L57-I59 HydrophobicContact CD1-CD1 4.5Å; L57-I59 HydrophobicContact CD1-CG1 4.21Å; L57-I59 HydrophobicContact CG-CG1 4.21Å; L57-N84 HydrophobicContact CB-CB 3.93Å; L57-L86 HydrophobicContact CD1-CB 3.82Å; L57-L86 HydrophobicContact CD1-CD2 4.4Å; L57-V163 HydrophobicContact CD1-CG2 3.98Å; L57-V163 HydrophobicContact CD2-CB 4.43Å; L57-V163 HydrophobicContact CD2-CG1 3.45Å; L57-V163 VanDerWaalsContact CD2-CG1 3.45Å; L57-V163 HydrophobicContact CD2-CG2 4.1Å; L57-V283 HydrophobicContact CD2-CB 3.98Å; L57-V283 HydrophobicContact CD2-CG1 4.48Å; L57-V283 HydrophobicContact CD2-CG2 4.4Å; L57-V283 PolarHBondContact N-O 2.99Å; L57-V283 PolarHBondContact O-N 3.3Å
58	K	98.7	Very high	98.3	Very high	29 Å²	29	26.7 Å²	26.7	13%	0.126	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.5	175.2	-67.3	178.4	-177.5	-78	0	110	G77 S83 N84 Y85 L86 M280 M281 S282	K58-G77 WeakPolarHBondContact CE-O 3.18Å; K58-S83 WeakPolarHBondContact CE-OG 3.42Å; K58-N84 PolarHBondContact N-O 3.06Å; K58-Y85 HydrophobicContact CB-CD1 3.88Å; K58-Y85 HydrophobicContact CB-CE1 3.78Å; K58-Y85 HydrophobicContact CD-CE1 4.17Å; K58-Y85 CarbonylContact O-C 3.19Å; K58-Y85 WeakPolarHBondContact O-CA 3.28Å; K58-L86 PolarHBondContact O-N 2.76Å; K58-M280 HydrophobicContact CB-CG 4.1Å; K58-M280 HydrophobicContact CB-SD 3.75Å; K58-M280 HydrophobicContact CD-SD 3.78Å; K58-M280 HydrophobicContact CG-SD 4.13Å; K58-M281 CarbonylContact C-O 3.58Å; K58-M281 WeakPolarHBondContact CA-O 3.29Å; K58-S282 PolarHBondContact NZ-OG 3.05Å
59	I	98.8	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.2	-178.5	-47.1	-173.3	0	0	0	109.4	L57 L86 L88 V163 L264 M280 M281 V283	L57-I59 HydrophobicContact CD1-CD1 4.5Å; L57-I59 HydrophobicContact CD1-CG1 4.21Å; L57-I59 HydrophobicContact CG-CG1 4.21Å; I59-L86 CarbonylContact C-O 3.48Å; I59-L86 VanDerWaalsContact CA-O 3.25Å; I59-L86 WeakPolarHBondContact CA-O 3.28Å; I59-L86 HydrophobicContact CD1-CD2 4.22Å; I59-L86 HydrophobicContact CG1-CB 4.35Å; I59-L86 HydrophobicContact CG1-CD2 4.37Å; I59-L86 HydrophobicContact CG2-CD2 4.23Å; I59-L86 HydrophobicContact CG2-CG 4.4Å; I59-L88 HydrophobicContact CG2-CD1 3.82Å; I59-L88 HydrophobicContact CG2-CD2 3.78Å; I59-L88 HydrophobicContact CG2-CG 3.74Å; I59-V163 HydrophobicContact CD1-CG2 4.36Å; I59-L264 HydrophobicContact CB-CD1 4.1Å; I59-L264 HydrophobicContact CG2-CD1 3.96Å; I59-L264 WeakPolarHBondContact O-CD1 3.18Å; I59-M280 WeakPolarHBondContact O-CA 3.27Å; I59-M281 HydrophobicContact CB-CB 4.47Å; I59-M281 HydrophobicContact CB-CE 4.5Å; I59-M281 HydrophobicContact CD1-CE 3.71Å; I59-M281 HydrophobicContact CG1-CE 4.38Å; I59-M281 PolarHBondContact N-O 3.25Å; I59-M281 PolarHBondContact O-N 3.04Å; I59-V283 HydrophobicContact CD1-CG2 4.14Å; I59-V283 HydrophobicContact CG1-CG2 4.46Å
60	C	98.8	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.9	-177.8	-54.4	0	0	0	0	110.4	L73 L86 F87 L88	C60-L73 HydrophobicContact CB-CD1 4.32Å; C60-L86 PolarHBondContact N-O 2.75Å; C60-F87 HydrophobicContact CB-CD1 3.59Å; C60-F87 HydrophobicContact CB-CE1 3.64Å; C60-F87 HydrophobicContact CB-CG 4.14Å; C60-F87 HydrophobicContact CB-CZ 4.22Å; C60-F87 CarbonylContact O-C 3.55Å; C60-F87 WeakPolarHBondContact O-CA 3.12Å; C60-L88 WeakPolarHBondContact O-CB 3.44Å; C60-L88 WeakPolarHBondContact O-CG 3.1Å; C60-L88 PolarHBondContact O-N 2.95Å
61	G	98.7	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.			trans	-85.7	-149.5	172.5	0	0	0	0	0	112.5	S266	G61-S266 PolarHBondContact N-OG 3.28Å
62	D	98.8	Very high	97.9	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.011	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-59.5	141.9	-174.1	-53.8	20.5	0	0	0	112.5	H64 D90 H171 A245 H246 F265 S266 A267	D62-H64 IonicContact OD2-NE2 3.78Å; D62-D90 HydrophobicContact CB-CB 3.96Å; D62-H171 IonicContact OD1-CE1 3.33Å; D62-H171 PolarHBondContact OD1-CE1 3.43Å; D62-H171 VanDerWaalsContact OD1-CE1 3.3Å; D62-H171 IonicContact OD1-ND1 3.3Å; D62-H171 IonicContact OD2-CE1 2.69Å; D62-A245 WeakPolarHBondContact OD1-CB 3.25Å; D62-H246 PolarHBondContact OD1-N 3.38Å; D62-F265 HydrophobicContact CB-CD2 3.83Å; D62-F265 HydrophobicContact CB-CE2 3.51Å; D62-F265 HydrophobicContact CB-CZ 3.96Å; D62-F265 WeakPolarHBondContact OD2-CE2 3.48Å; D62-S266 CarbonylContact O-C 3.57Å; D62-S266 VanDerWaalsContact O-C 3.28Å; D62-S266 WeakPolarHBondContact O-CA 3.41Å; D62-S266 WeakPolarHBondContact O-CB 3.08Å; D62-S266 PolarHBondContact O-N 2.74Å; D62-S266 VanDerWaalsContact O-N 3.14Å; D62-A267 PolarHBondContact O-N 3.49Å
63	I	98.7	Very high	97.8	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.114	C	C	.	.			trans	-118.5	-35.1	178.2	-55.9	-64.2	0	0	0	111.9	G65 Q66 L70 L73 F87 D90 T101	I63-G65 PolarHBondContact O-N 3.44Å; I63-Q66 WeakPolarHBondContact O-CB 3.35Å; I63-Q66 PolarHBondContact O-N 3.07Å; I63-L70 HydrophobicContact CD1-CD1 4.15Å; I63-L70 HydrophobicContact CG1-CD1 4.44Å; I63-L70 HydrophobicContact CG2-CB 4Å; I63-L73 HydrophobicContact CD1-CD1 4.36Å; I63-F87 HydrophobicContact CD1-CD1 4.35Å; I63-F87 HydrophobicContact CD1-CE1 3.99Å; I63-F87 HydrophobicContact CG1-CD1 4.06Å; I63-F87 HydrophobicContact CG1-CE1 4.05Å; I63-D90 PolarHBondContact N-O 2.89Å; I63-T101 HydrophobicContact CB-CG2 4.28Å; I63-T101 HydrophobicContact CG2-CG2 3.65Å
64	H	98.6	Very high	97.7	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	53.5	173.9	-79	-58.3	0	0	0	114.5	D62 Q66 D90 V92 D93 R94 G95 H123 Y270	D62-H64 IonicContact OD2-NE2 3.78Å; H64-Q66 PolarHBondContact O-N 2.9Å; H64-D90 IonicContact CE1-OD2 3.58Å; H64-D90 PolarHBondContact CE1-OD2 3.48Å; H64-D90 VanDerWaalsContact CE1-OD2 3.3Å; H64-D90 PolarHBondContact N-O 3.32Å; H64-D90 IonicContact NE2-OD2 2.7Å; H64-D90 PolarHBondContact NE2-OD2 2.94Å; H64-V92 PolarHBondContact ND1-O 2.84Å; H64-D93 CarbonylContact C-O 3.55Å; H64-D93 WeakPolarHBondContact CA-O 3.29Å; H64-D93 WeakPolarHBondContact CB-O 3.33Å; H64-D93 VanDerWaalsContact O-O 3.08Å; H64-R94 HydrophobicContact CB-CB 4.32Å; H64-G95 WeakPolarHBondContact O-CA 3.23Å; H64-G95 PolarHBondContact O-N 3.1Å; H64-H123 AromaticContact CE1-CD2 3.54Å; H64-H123 AromaticContact CE1-CE1 3.84Å; H64-H123 AromaticContact CE1-CG 3.68Å; H64-H123 AromaticContact CE1-ND1 3.87Å; H64-H123 AromaticContact CE1-NE2 3.66Å; H64-Y270 HydrophobicContact CB-CE2 3.74Å; H64-Y270 AromaticContact CD2-CE2 3.21Å; H64-Y270 WeakPolarHBondContact CD2-CE2 3.41Å; H64-Y270 AromaticContact CD2-CZ 3.55Å; H64-Y270 PolarHBondContact CD2-OH 3.32Å; H64-Y270 VanDerWaalsContact CD2-OH 3.25Å; H64-Y270 AromaticContact CG-CE2 3.67Å; H64-Y270 AromaticContact NE2-CE2 3.95Å; H64-Y270 AromaticContact NE2-CZ 3.79Å; H64-Y270 PolarHBondContact NE2-OH 3.46Å
65	G	98.1	Very high	97.6	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.021	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	15.6	176.7	0	0	0	0	0	115.9	I63 Y67 Y91 K96 Q97	I63-G65 PolarHBondContact O-N 3.44Å; G65-Y67 PolarHBondContact O-N 2.96Å; G65-Y91 PolarHBondContact N-O 3.46Å; G65-K96 PolarHBondContact O-N 2.85Å; G65-Q97 CarbonylContact O-C 3.58Å; G65-Q97 PolarHBondContact O-N 3.1Å; G65-Q97 VanDerWaalsContact O-N 3.1Å
66	Q	97.3	Very high	97.4	Very high	30 Å²	30	22.5 Å²	22.5	14%	0.14	11%	0.109	C	C	.	.			trans	-80.8	65.7	170.7	-61.1	-162.1	168.1	0	0	110.5	I63 H64 T68 D69 L70 A267 P268	I63-Q66 WeakPolarHBondContact O-CB 3.35Å; I63-Q66 PolarHBondContact O-N 3.07Å; H64-Q66 PolarHBondContact O-N 2.9Å; Q66-T68 VanDerWaalsContact C-N 3.32Å; Q66-T68 PolarHBondContact O-N 2.76Å; Q66-D69 HydrophobicContact CB-CB 4.13Å; Q66-D69 PolarHBondContact NE2-OD2 2.89Å; Q66-D69 PolarHBondContact O-N 2.8Å; Q66-L70 PolarHBondContact O-N 3.23Å; Q66-A267 HydrophobicContact CG-CB 4.35Å; Q66-P268 PolarHBondContact NE2-O 2.8Å
67	Y	97.5	Very high	97.4	Very high	2 Å²	2	20 Å²	20	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-57	-40.6	-170.4	-175.9	-124.1	0	0	0	114.1	L14 V17 V26 G65 D69 L70 L71 E100 T101 L104	L14-Y67 WeakPolarHBondContact CB-OH 3.4Å; L14-Y67 PolarHBondContact O-OH 2.99Å; V17-Y67 HydrophobicContact CG2-CD1 4.36Å; V17-Y67 HydrophobicContact CG2-CE1 3.62Å; V26-Y67 HydrophobicContact CG2-CE1 4.5Å; G65-Y67 PolarHBondContact O-N 2.96Å; Y67-D69 VanDerWaalsContact C-N 3.27Å; Y67-D69 PolarHBondContact O-N 2.87Å; Y67-L70 HydrophobicContact CD2-CD2 4.29Å; Y67-L70 HydrophobicContact CE2-CD2 4.47Å; Y67-L70 WeakPolarHBondContact O-CB 3.34Å; Y67-L70 PolarHBondContact O-N 3.04Å; Y67-L71 HydrophobicContact CD1-CD1 4.05Å; Y67-L71 HydrophobicContact CE1-CD1 3.68Å; Y67-L71 HydrophobicContact CE1-CG 4.31Å; Y67-L71 HydrophobicContact CE2-CD2 4.25Å; Y67-L71 HydrophobicContact CE2-CG 4.28Å; Y67-L71 WeakPolarHBondContact O-CG 3.24Å; Y67-L71 PolarHBondContact O-N 3.46Å; Y67-E100 HydrophobicContact CD1-CB 3.5Å; Y67-E100 HydrophobicContact CD1-CG 4.05Å; Y67-E100 HydrophobicContact CD2-CB 3.7Å; Y67-E100 HydrophobicContact CE1-CB 3.66Å; Y67-E100 HydrophobicContact CE1-CG 4.06Å; Y67-E100 HydrophobicContact CE2-CB 3.85Å; Y67-E100 WeakPolarHBondContact CE2-O 3.48Å; Y67-E100 HydrophobicContact CG-CB 3.52Å; Y67-T101 WeakPolarHBondContact CA-OG1 3.12Å; Y67-L104 HydrophobicContact CE2-CB 3.99Å; Y67-L104 HydrophobicContact CE2-CD2 3.72Å
68	T	95.7	Very high	97.3	Very high	45 Å²	45	20.3 Å²	20.3	28%	0.276	10%	0.099	S	C	.	.	H	α-helix	trans	-61.6	-36.2	175.8	-52.9	0	0	0	0	112.1	P22 Q66 L71 R72	P22-T68 HydrophobicContact CB-CG2 4.08Å; P22-T68 HydrophobicContact CG-CG2 4.14Å; Q66-T68 VanDerWaalsContact C-N 3.32Å; Q66-T68 PolarHBondContact O-N 2.76Å; T68-L71 PolarHBondContact O-N 3.28Å; T68-R72 WeakPolarHBondContact O-CG 3.46Å; T68-R72 PolarHBondContact O-N 3.18Å; T68-R72 VanDerWaalsContact O-N 3.08Å
69	D	95.8	Very high	97.3	Very high	24 Å²	24	20.3 Å²	20.3	13%	0.128	10%	0.099	C	C	.	.	H	α-helix	trans	-75.1	-33.7	177.8	-62.8	-50.7	0	0	0	112.2	Q66 Y67 L71 R72 L73 P268 L294	Q66-D69 HydrophobicContact CB-CB 4.13Å; Q66-D69 PolarHBondContact NE2-OD2 2.89Å; Q66-D69 PolarHBondContact O-N 2.8Å; Y67-D69 VanDerWaalsContact C-N 3.27Å; Y67-D69 PolarHBondContact O-N 2.87Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 3.38Å; D69-R72 PolarHBondContact O-N 3.32Å; D69-R72 IonicContact OD1-CZ 3.81Å; D69-R72 IonicContact OD1-NH1 2.78Å; D69-R72 PolarHBondContact OD1-NH1 2.91Å; D69-L73 WeakPolarHBondContact O-CB 3.47Å; D69-L73 PolarHBondContact O-N 2.94Å; D69-P268 HydrophobicContact CB-CG 4Å; D69-L294 HydrophobicContact CB-CD2 4.35Å
70	L	97.7	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-44.3	168.9	176.8	64	0	0	0	111.4	I63 Q66 Y67 L73 F74 F87 T101 L104 L105	I63-L70 HydrophobicContact CD1-CD1 4.15Å; I63-L70 HydrophobicContact CG1-CD1 4.44Å; I63-L70 HydrophobicContact CG2-CB 4Å; Q66-L70 PolarHBondContact O-N 3.23Å; Y67-L70 HydrophobicContact CD2-CD2 4.29Å; Y67-L70 HydrophobicContact CE2-CD2 4.47Å; Y67-L70 WeakPolarHBondContact O-CB 3.34Å; Y67-L70 PolarHBondContact O-N 3.04Å; L70-L73 WeakPolarHBondContact O-CB 3.35Å; L70-L73 PolarHBondContact O-N 3.48Å; L70-F74 HydrophobicContact CD1-CD2 4.21Å; L70-F74 HydrophobicContact CD1-CE2 3.56Å; L70-F74 HydrophobicContact CD1-CZ 3.73Å; L70-F74 HydrophobicContact CD2-CE2 4.05Å; L70-F74 HydrophobicContact CG-CD2 4.09Å; L70-F74 HydrophobicContact CG-CE2 3.6Å; L70-F74 HydrophobicContact CG-CZ 4.28Å; L70-F74 WeakPolarHBondContact O-CD2 3.44Å; L70-F74 PolarHBondContact O-N 3.01Å; L70-F87 HydrophobicContact CD1-CE1 3.69Å; L70-F87 HydrophobicContact CD1-CZ 3.82Å; L70-T101 HydrophobicContact CD2-CG2 4.13Å; L70-L104 HydrophobicContact CD2-CD2 4.34Å; L70-L105 HydrophobicContact CD1-CD2 4.2Å; L70-L105 HydrophobicContact CD2-CD2 4.03Å; L70-L105 HydrophobicContact CD2-CG 4.16Å
71	L	97	Very high	97.2	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-41.6	177	-65.7	171.1	0	0	0	111.8	L15 V17 R18 Y67 T68 D69 L73 F74 E75 L104	L15-L71 HydrophobicContact CD2-CD2 3.68Å; V17-L71 HydrophobicContact CG2-CD1 4.35Å; R18-L71 HydrophobicContact CG-CB 4.01Å; R18-L71 HydrophobicContact CG-CD1 3.67Å; R18-L71 HydrophobicContact CG-CD2 3.9Å; R18-L71 HydrophobicContact CG-CG 4.06Å; Y67-L71 HydrophobicContact CD1-CD1 4.05Å; Y67-L71 HydrophobicContact CE1-CD1 3.68Å; Y67-L71 HydrophobicContact CE1-CG 4.31Å; Y67-L71 HydrophobicContact CE2-CD2 4.25Å; Y67-L71 HydrophobicContact CE2-CG 4.28Å; Y67-L71 WeakPolarHBondContact O-CG 3.24Å; Y67-L71 PolarHBondContact O-N 3.46Å; T68-L71 PolarHBondContact O-N 3.28Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 3.38Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.24Å; L71-F74 PolarHBondContact O-N 3.49Å; L71-E75 WeakPolarHBondContact O-CG 3.44Å; L71-E75 PolarHBondContact O-N 3.04Å; L71-L104 HydrophobicContact CD2-CD2 3.78Å
72	R	95.4	Very high	97.2	Very high	60 Å²	60	31.9 Å²	31.9	23%	0.226	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-36.3	173.7	-69.7	169.1	66.4	-152.3	-0.4	112	T68 D69 E75 Y76 L294 K295	T68-R72 WeakPolarHBondContact O-CG 3.46Å; T68-R72 PolarHBondContact O-N 3.18Å; T68-R72 VanDerWaalsContact O-N 3.08Å; D69-R72 PolarHBondContact O-N 3.32Å; D69-R72 IonicContact OD1-CZ 3.81Å; D69-R72 IonicContact OD1-NH1 2.78Å; D69-R72 PolarHBondContact OD1-NH1 2.91Å; R72-E75 PolarHBondContact O-N 3.27Å; R72-Y76 WeakPolarHBondContact O-CB 3.34Å; R72-Y76 PolarHBondContact O-N 3.48Å; R72-L294 HydrophobicContact CB-CD1 4.09Å; R72-L294 HydrophobicContact CB-CD2 3.94Å; R72-K295 PolarHBondContact NH2-O 3.32Å
73	L	96.6	Very high	97.1	Very high	8 Å²	8	33 Å²	33	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-45.3	175.8	-173.7	156.9	0	0	0	110.5	C60 I63 D69 L70 L71 Y76 G77 Y85 M280	C60-L73 HydrophobicContact CB-CD1 4.32Å; I63-L73 HydrophobicContact CD1-CD1 4.36Å; D69-L73 WeakPolarHBondContact O-CB 3.47Å; D69-L73 PolarHBondContact O-N 2.94Å; L70-L73 WeakPolarHBondContact O-CB 3.35Å; L70-L73 PolarHBondContact O-N 3.48Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.24Å; L73-Y76 PolarHBondContact O-N 3.17Å; L73-G77 PolarHBondContact O-N 3.06Å; L73-Y85 HydrophobicContact CD2-CE1 3.85Å; L73-M280 HydrophobicContact CD2-CE 3.9Å; L73-M280 HydrophobicContact CD2-SD 3.71Å; L73-M280 HydrophobicContact CG-CE 3.92Å; L73-M280 HydrophobicContact CG-SD 4.25Å
74	F	97.6	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-37.4	174.2	-68.2	-46.5	0	0	0	113	L70 L71 Y76 G77 G78 F79 P80 Y85 F87 L104 L105 Y108 F116	L70-F74 HydrophobicContact CD1-CD2 4.21Å; L70-F74 HydrophobicContact CD1-CE2 3.56Å; L70-F74 HydrophobicContact CD1-CZ 3.73Å; L70-F74 HydrophobicContact CD2-CE2 4.05Å; L70-F74 HydrophobicContact CG-CD2 4.09Å; L70-F74 HydrophobicContact CG-CE2 3.6Å; L70-F74 HydrophobicContact CG-CZ 4.28Å; L70-F74 WeakPolarHBondContact O-CD2 3.44Å; L70-F74 PolarHBondContact O-N 3.01Å; L71-F74 PolarHBondContact O-N 3.49Å; F74-Y76 PolarHBondContact O-N 3.16Å; F74-G77 PolarHBondContact O-N 3.09Å; F74-G78 CarbonylContact O-C 3.52Å; F74-G78 VanDerWaalsContact O-CA 3.29Å; F74-G78 WeakPolarHBondContact O-CA 3.25Å; F74-G78 PolarHBondContact O-N 2.94Å; F74-F79 HydrophobicContact CB-CD1 3.62Å; F74-F79 HydrophobicContact CB-CD2 4.37Å; F74-F79 HydrophobicContact CB-CE1 3.45Å; F74-F79 VanDerWaalsContact CB-CE1 3.45Å; F74-F79 HydrophobicContact CB-CE2 4.23Å; F74-F79 HydrophobicContact CB-CG 4.07Å; F74-F79 HydrophobicContact CB-CZ 3.76Å; F74-F79 HydrophobicContact CD2-CD1 4.49Å; F74-F79 HydrophobicContact CD2-CE1 4.29Å; F74-F79 HydrophobicContact CG-CD1 4.23Å; F74-F79 HydrophobicContact CG-CE1 4.23Å; F74-P80 HydrophobicContact CE1-CG 4.22Å; F74-Y85 HydrophobicContact CD1-CE1 4.12Å; F74-Y85 AromaticContact CD1-CE2 3.98Å; F74-Y85 HydrophobicContact CD1-CE2 3.98Å; F74-Y85 AromaticContact CD1-CZ 3.7Å; F74-Y85 HydrophobicContact CE1-CD1 4.23Å; F74-Y85 HydrophobicContact CE1-CD2 4.27Å; F74-Y85 HydrophobicContact CE1-CE1 4.04Å; F74-Y85 HydrophobicContact CE1-CE2 4.08Å; F74-Y85 HydrophobicContact CE1-CG 4.35Å; F74-Y85 AromaticContact CE1-CZ 3.97Å; F74-F87 HydrophobicContact CE1-CE2 4.13Å; F74-F87 AromaticContact CE1-CZ 3.79Å; F74-F87 HydrophobicContact CE1-CZ 3.79Å; F74-F87 HydrophobicContact CZ-CE2 4.16Å; F74-F87 AromaticContact CZ-CZ 3.73Å; F74-F87 HydrophobicContact CZ-CZ 3.73Å; F74-L104 HydrophobicContact CD2-CD2 4.31Å; F74-L104 HydrophobicContact CE2-CD2 3.95Å; F74-L105 HydrophobicContact CZ-CD2 4.15Å; F74-Y108 HydrophobicContact CD2-CE2 4.31Å; F74-Y108 HydrophobicContact CE2-CD2 4.28Å; F74-Y108 AromaticContact CE2-CE2 3.84Å; F74-Y108 HydrophobicContact CE2-CE2 3.84Å; F74-Y108 HydrophobicContact CZ-CD2 4.2Å; F74-Y108 HydrophobicContact CZ-CE2 4.13Å; F74-F116 HydrophobicContact CE1-CE2 4.03Å; F74-F116 HydrophobicContact CE1-CZ 4.46Å; F74-F116 HydrophobicContact CZ-CE2 4.03Å; F74-F116 HydrophobicContact CZ-CZ 4.05Å
75	E	95.4	Very high	97.1	Very high	96 Å²	96	34.6 Å²	34.6	45%	0.449	18%	0.178	S	C	.	.	H	α-helix	trans	-59.3	-36.1	172.5	-75.2	175.5	173.1	0	0	112.4	R18 L71 R72 F79	R18-E75 IonicContact CZ-OE1 3.75Å; R18-E75 IonicContact NE-OE1 2.82Å; R18-E75 PolarHBondContact NE-OE1 3.06Å; R18-E75 IonicContact NH2-OE1 3.7Å; R18-E75 PolarHBondContact NH2-OE1 2.64Å; L71-E75 WeakPolarHBondContact O-CG 3.44Å; L71-E75 PolarHBondContact O-N 3.04Å; R72-E75 PolarHBondContact O-N 3.27Å; E75-F79 HydrophobicContact CB-CE2 4.34Å; E75-F79 HydrophobicContact CG-CE2 3.64Å; E75-F79 HydrophobicContact CG-CZ 3.75Å
76	Y	94.4	Very high	97.2	Very high	97 Å²	97	34.5 Å²	34.5	38%	0.38	18%	0.177	S	C	.	.	H	α-helix	trans	-85.7	-29.7	-178.6	-166.2	-141.4	0	0	0	113.8	R72 L73 F74 Q292	R72-Y76 WeakPolarHBondContact O-CB 3.34Å; R72-Y76 PolarHBondContact O-N 3.48Å; L73-Y76 PolarHBondContact O-N 3.17Å; F74-Y76 PolarHBondContact O-N 3.16Å; Y76-Q292 HydrophobicContact CD1-CB 3.89Å; Y76-Q292 HydrophobicContact CD1-CG 4.47Å; Y76-Q292 HydrophobicContact CE1-CB 3.58Å; Y76-Q292 HydrophobicContact CE1-CG 4.08Å; Y76-Q292 PolarHBondContact O-NE2 3.41Å
77	G	96.6	Very high	97.2	Very high	7 Å²	7	33.1 Å²	33.1	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-94.8	-11.9	178.9	0	0	0	0	0	115.1	K58 L73 F74 S83 Y85	K58-G77 WeakPolarHBondContact CE-O 3.18Å; L73-G77 PolarHBondContact O-N 3.06Å; F74-G77 PolarHBondContact O-N 3.09Å; G77-S83 PolarHBondContact O-OG 3.04Å; G77-Y85 WeakPolarHBondContact CA-OH 3.34Å
78	G	97.7	Very high	97.3	Very high	14 Å²	14	33 Å²	33	14%	0.144	17%	0.17	C	C	.	.			trans	89.4	133.2	-168.2	0	0	0	0	0	111	F74 E82 Y85	F74-G78 CarbonylContact O-C 3.52Å; F74-G78 VanDerWaalsContact O-CA 3.29Å; F74-G78 WeakPolarHBondContact O-CA 3.25Å; F74-G78 PolarHBondContact O-N 2.94Å; G78-E82 VanDerWaalsContact CA-OE2 3.32Å; G78-E82 WeakPolarHBondContact CA-OE2 3.49Å; G78-Y85 WeakPolarHBondContact O-CE2 3.46Å; G78-Y85 PolarHBondContact O-OH 2.74Å
79	F	98	Very high	97.5	Very high	29 Å²	29	30.9 Å²	30.9	13%	0.127	16%	0.156	C	C	.	.			trans	-72.3	146	-178.8	-78.3	-92	0	0	0	110.3	L15 R18 F74 E75 E82 Y108	L15-F79 HydrophobicContact CD1-CD1 4.44Å; L15-F79 HydrophobicContact CD2-CD1 4.17Å; L15-F79 HydrophobicContact CD2-CE1 3.66Å; R18-F79 VanDerWaalsContact CZ-CE2 3.48Å; R18-F79 VanDerWaalsContact NH1-CE2 3.28Å; F74-F79 HydrophobicContact CB-CD1 3.62Å; F74-F79 HydrophobicContact CB-CD2 4.37Å; F74-F79 HydrophobicContact CB-CE1 3.45Å; F74-F79 VanDerWaalsContact CB-CE1 3.45Å; F74-F79 HydrophobicContact CB-CE2 4.23Å; F74-F79 HydrophobicContact CB-CG 4.07Å; F74-F79 HydrophobicContact CB-CZ 3.76Å; F74-F79 HydrophobicContact CD2-CD1 4.49Å; F74-F79 HydrophobicContact CD2-CE1 4.29Å; F74-F79 HydrophobicContact CG-CD1 4.23Å; F74-F79 HydrophobicContact CG-CE1 4.23Å; E75-F79 HydrophobicContact CB-CE2 4.34Å; E75-F79 HydrophobicContact CG-CE2 3.64Å; E75-F79 HydrophobicContact CG-CZ 3.75Å; F79-E82 PolarHBondContact N-OE2 3.37Å; F79-E82 VanDerWaalsContact N-OE2 3.17Å; F79-E82 WeakPolarHBondContact O-CA 3.35Å; F79-E82 WeakPolarHBondContact O-CB 3.47Å; F79-E82 VanDerWaalsContact O-CG 3.28Å; F79-E82 WeakPolarHBondContact O-CG 3.43Å; F79-E82 PolarHBondContact O-N 3.17Å; F79-Y108 WeakPolarHBondContact CD1-OH 3.43Å
80	P	98.2	Very high	97.6	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.078	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135.8	170.4	-24.7	34.3	0	0	0	111.2	F74 Y85 Y108 F116	F74-P80 HydrophobicContact CE1-CG 4.22Å; P80-Y85 HydrophobicContact CG-CD2 4.01Å; P80-Y85 HydrophobicContact CG-CE2 4.22Å; P80-Y108 HydrophobicContact CB-CD1 3.87Å; P80-Y108 HydrophobicContact CB-CE1 4.07Å; P80-Y108 HydrophobicContact CB-CG 4.19Å; P80-Y108 HydrophobicContact CG-CD1 4.07Å; P80-Y108 HydrophobicContact CG-CD2 3.96Å; P80-Y108 HydrophobicContact CG-CE1 4.18Å; P80-Y108 HydrophobicContact CG-CE2 4.05Å; P80-Y108 HydrophobicContact CG-CG 3.97Å; P80-F116 HydrophobicContact CB-CD2 4.17Å; P80-F116 HydrophobicContact CG-CD2 3.66Å; P80-F116 HydrophobicContact CG-CE2 3.61Å
81	P	97.5	Very high	97.7	Very high	78 Å²	78	29.8 Å²	29.8	51%	0.506	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.9	17	5.8	38.6	-35.1	0	0	0	114.9	S83	P81-S83 PolarHBondContact O-N 2.69Å
82	E	97.8	Very high	97.8	Very high	152 Å²	152	29.6 Å²	29.6	71%	0.71	15%	0.15	S	C	*	.	S	Bend	trans	-58.2	-31.2	178.4	-58.7	175.8	165.8	0	0	112.5	G78 F79	G78-E82 VanDerWaalsContact CA-OE2 3.32Å; G78-E82 WeakPolarHBondContact CA-OE2 3.49Å; F79-E82 PolarHBondContact N-OE2 3.37Å; F79-E82 VanDerWaalsContact N-OE2 3.17Å; F79-E82 WeakPolarHBondContact O-CA 3.35Å; F79-E82 WeakPolarHBondContact O-CB 3.47Å; F79-E82 VanDerWaalsContact O-CG 3.28Å; F79-E82 WeakPolarHBondContact O-CG 3.43Å; F79-E82 PolarHBondContact O-N 3.17Å
83	S	98	Very high	97.9	Very high	26 Å²	26	26.7 Å²	26.7	18%	0.182	14%	0.139	C	C	.	.	S	Bend	trans	-130.9	144.6	172.1	-72.7	0	0	0	0	110.7	K58 G77 P81 Y85	K58-S83 WeakPolarHBondContact CE-OG 3.42Å; G77-S83 PolarHBondContact O-OG 3.04Å; P81-S83 PolarHBondContact O-N 2.69Å; S83-Y85 VanDerWaalsContact O-CD2 3.29Å; S83-Y85 WeakPolarHBondContact O-CD2 3.32Å
84	N	98.6	Very high	97.9	Very high	40 Å²	40	31.6 Å²	31.6	21%	0.214	16%	0.157	C	C	.	.			trans	-76.9	143.1	167.2	-58.6	-36.6	0	0	0	109.9	P56 L57 K58 N115	P56-N84 WeakPolarHBondContact O-CB 3.04Å; P56-N84 PolarHBondContact O-ND2 3.47Å; L57-N84 HydrophobicContact CB-CB 3.93Å; K58-N84 PolarHBondContact N-O 3.06Å; N84-N115 CarbonylContact C-O 3.56Å; N84-N115 WeakPolarHBondContact CA-O 3.25Å; N84-N115 VanDerWaalsContact OD1-CB 3.28Å; N84-N115 WeakPolarHBondContact OD1-CB 3.4Å; N84-N115 PolarHBondContact OD1-ND2 3.22Å
85	Y	98.9	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.7	-177.2	-80.3	-88.5	0	0	0	113	K58 L73 F74 G77 G78 P80 S83 F87 N115 F116 F117 M280	K58-Y85 HydrophobicContact CB-CD1 3.88Å; K58-Y85 HydrophobicContact CB-CE1 3.78Å; K58-Y85 HydrophobicContact CD-CE1 4.17Å; K58-Y85 CarbonylContact O-C 3.19Å; K58-Y85 WeakPolarHBondContact O-CA 3.28Å; L73-Y85 HydrophobicContact CD2-CE1 3.85Å; F74-Y85 HydrophobicContact CD1-CE1 4.12Å; F74-Y85 AromaticContact CD1-CE2 3.98Å; F74-Y85 HydrophobicContact CD1-CE2 3.98Å; F74-Y85 AromaticContact CD1-CZ 3.7Å; F74-Y85 HydrophobicContact CE1-CD1 4.23Å; F74-Y85 HydrophobicContact CE1-CD2 4.27Å; F74-Y85 HydrophobicContact CE1-CE1 4.04Å; F74-Y85 HydrophobicContact CE1-CE2 4.08Å; F74-Y85 HydrophobicContact CE1-CG 4.35Å; F74-Y85 AromaticContact CE1-CZ 3.97Å; G77-Y85 WeakPolarHBondContact CA-OH 3.34Å; G78-Y85 WeakPolarHBondContact O-CE2 3.46Å; G78-Y85 PolarHBondContact O-OH 2.74Å; P80-Y85 HydrophobicContact CG-CD2 4.01Å; P80-Y85 HydrophobicContact CG-CE2 4.22Å; S83-Y85 VanDerWaalsContact O-CD2 3.29Å; S83-Y85 WeakPolarHBondContact O-CD2 3.32Å; Y85-F87 AromaticContact CD1-CE2 3.83Å; Y85-F87 HydrophobicContact CD1-CE2 3.83Å; Y85-F87 HydrophobicContact CD1-CZ 4.18Å; Y85-F87 HydrophobicContact CG-CE2 4.08Å; Y85-N115 PolarHBondContact N-O 3.49Å; Y85-F116 HydrophobicContact CD2-CD2 4.31Å; Y85-F116 HydrophobicContact CD2-CE2 4.21Å; Y85-F116 HydrophobicContact CG-CD2 4.33Å; Y85-F116 HydrophobicContact CG-CE2 4.07Å; Y85-F117 WeakPolarHBondContact O-CD2 3.26Å; Y85-F117 PolarHBondContact O-N 2.98Å; Y85-M280 HydrophobicContact CE1-SD 3.73Å
86	L	98.9	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120	163.3	174.7	66.4	0	0	0	108.6	L53 L57 K58 I59 C60 L88 F117 L119 A161 C169	L53-L86 HydrophobicContact CD1-CB 4.44Å; L53-L86 HydrophobicContact CD1-CD1 3.96Å; L53-L86 HydrophobicContact CD1-CD2 4.14Å; L53-L86 HydrophobicContact CD1-CG 4.42Å; L57-L86 HydrophobicContact CD1-CB 3.82Å; L57-L86 HydrophobicContact CD1-CD2 4.4Å; K58-L86 PolarHBondContact O-N 2.76Å; I59-L86 CarbonylContact C-O 3.48Å; I59-L86 VanDerWaalsContact CA-O 3.25Å; I59-L86 WeakPolarHBondContact CA-O 3.28Å; I59-L86 HydrophobicContact CD1-CD2 4.22Å; I59-L86 HydrophobicContact CG1-CB 4.35Å; I59-L86 HydrophobicContact CG1-CD2 4.37Å; I59-L86 HydrophobicContact CG2-CD2 4.23Å; I59-L86 HydrophobicContact CG2-CG 4.4Å; C60-L86 PolarHBondContact N-O 2.75Å; L86-L88 HydrophobicContact CD2-CD2 4.27Å; L86-L88 HydrophobicContact CG-CD2 4.37Å; L86-F117 CarbonylContact C-O 3.56Å; L86-F117 WeakPolarHBondContact CA-O 3.35Å; L86-F117 HydrophobicContact CD1-CB 3.71Å; L86-L119 HydrophobicContact CD1-CD1 4.29Å; L86-L119 HydrophobicContact CD1-CD2 4.08Å; L86-L119 HydrophobicContact CD1-CG 3.81Å; L86-A161 HydrophobicContact CD1-CB 4.2Å; L86-A161 HydrophobicContact CD2-CB 3.94Å; L86-C169 HydrophobicContact CD2-CB 3.8Å
87	F	98.9	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.2	169.2	-68.6	-107.3	0	0	0	110.9	C60 I63 L70 F74 Y85 Y91 L105 F116 F117 L118 L119	C60-F87 HydrophobicContact CB-CD1 3.59Å; C60-F87 HydrophobicContact CB-CE1 3.64Å; C60-F87 HydrophobicContact CB-CG 4.14Å; C60-F87 HydrophobicContact CB-CZ 4.22Å; C60-F87 CarbonylContact O-C 3.55Å; C60-F87 WeakPolarHBondContact O-CA 3.12Å; I63-F87 HydrophobicContact CD1-CD1 4.35Å; I63-F87 HydrophobicContact CD1-CE1 3.99Å; I63-F87 HydrophobicContact CG1-CD1 4.06Å; I63-F87 HydrophobicContact CG1-CE1 4.05Å; L70-F87 HydrophobicContact CD1-CE1 3.69Å; L70-F87 HydrophobicContact CD1-CZ 3.82Å; F74-F87 HydrophobicContact CE1-CE2 4.13Å; F74-F87 AromaticContact CE1-CZ 3.79Å; F74-F87 HydrophobicContact CE1-CZ 3.79Å; F74-F87 HydrophobicContact CZ-CE2 4.16Å; F74-F87 AromaticContact CZ-CZ 3.73Å; F74-F87 HydrophobicContact CZ-CZ 3.73Å; Y85-F87 AromaticContact CD1-CE2 3.83Å; Y85-F87 HydrophobicContact CD1-CE2 3.83Å; Y85-F87 HydrophobicContact CD1-CZ 4.18Å; Y85-F87 HydrophobicContact CG-CE2 4.08Å; F87-Y91 HydrophobicContact CB-CE1 3.67Å; F87-Y91 HydrophobicContact CG-CE1 4.37Å; F87-L105 HydrophobicContact CD1-CD2 4.42Å; F87-L105 HydrophobicContact CD2-CD2 4.27Å; F87-L105 HydrophobicContact CE1-CD2 4.1Å; F87-L105 HydrophobicContact CE2-CD2 3.94Å; F87-L105 HydrophobicContact CZ-CD2 3.86Å; F87-F116 HydrophobicContact CD2-CE1 4.45Å; F87-F116 HydrophobicContact CD2-CE2 4.49Å; F87-F116 AromaticContact CD2-CZ 3.97Å; F87-F116 HydrophobicContact CD2-CZ 3.97Å; F87-F116 HydrophobicContact CE2-CE1 4.38Å; F87-F116 AromaticContact CE2-CE2 3.8Å; F87-F116 HydrophobicContact CE2-CE2 3.8Å; F87-F116 AromaticContact CE2-CZ 3.49Å; F87-F116 HydrophobicContact CE2-CZ 3.49Å; F87-F116 VanDerWaalsContact CE2-CZ 3.49Å; F87-F116 HydrophobicContact CZ-CZ 4.38Å; F87-F117 PolarHBondContact N-O 3.45Å; F87-L118 HydrophobicContact CB-CD2 3.78Å; F87-L118 HydrophobicContact CD2-CD2 3.82Å; F87-L118 HydrophobicContact CG-CD2 3.98Å; F87-L119 WeakPolarHBondContact O-CB 3.4Å; F87-L119 PolarHBondContact O-N 2.91Å
88	L	98.9	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.			trans	-92.2	12.4	-173.3	-59.4	178	0	0	0	113.8	I59 C60 L86 L119 C169 H171 A245 L264	I59-L88 HydrophobicContact CG2-CD1 3.82Å; I59-L88 HydrophobicContact CG2-CD2 3.78Å; I59-L88 HydrophobicContact CG2-CG 3.74Å; C60-L88 WeakPolarHBondContact O-CB 3.44Å; C60-L88 WeakPolarHBondContact O-CG 3.1Å; C60-L88 PolarHBondContact O-N 2.95Å; L86-L88 HydrophobicContact CD2-CD2 4.27Å; L86-L88 HydrophobicContact CG-CD2 4.37Å; L88-L119 HydrophobicContact CD2-CD1 3.86Å; L88-C169 HydrophobicContact CD2-CB 3.89Å; L88-H171 WeakPolarHBondContact O-CA 3.2Å; L88-H171 WeakPolarHBondContact O-CB 3.34Å; L88-H171 VanDerWaalsContact O-CG 3.29Å; L88-H171 PolarHBondContact O-ND1 3.05Å; L88-A245 HydrophobicContact CB-CB 3.73Å; L88-A245 HydrophobicContact CD1-CB 3.94Å; L88-A245 HydrophobicContact CG-CB 4.49Å; L88-L264 HydrophobicContact CD1-CB 4.49Å; L88-L264 HydrophobicContact CD1-CD1 4.33Å
89	G	98.8	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	104.8	-173.3	-179.6	0	0	0	0	0	114.6	Y91	G89-Y91 PolarHBondContact N-OH 2.81Å
90	D	98.8	Very high	98	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	15%	0.153	C	C	.	.			trans	57.5	60.8	177.8	-80.8	18	0	0	0	112.9	D62 I63 H64 G121 N122 H123 E124 H171	D62-D90 HydrophobicContact CB-CB 3.96Å; I63-D90 PolarHBondContact N-O 2.89Å; H64-D90 IonicContact CE1-OD2 3.58Å; H64-D90 PolarHBondContact CE1-OD2 3.48Å; H64-D90 VanDerWaalsContact CE1-OD2 3.3Å; H64-D90 PolarHBondContact N-O 3.32Å; H64-D90 IonicContact NE2-OD2 2.7Å; H64-D90 PolarHBondContact NE2-OD2 2.94Å; D90-G121 WeakPolarHBondContact OD1-CA 3.16Å; D90-N122 PolarHBondContact OD1-N 3.22Å; D90-N122 PolarHBondContact OD1-OD1 2.98Å; D90-N122 PolarHBondContact OD2-OD1 3.25Å; D90-H123 WeakPolarHBondContact OD1-CB 3.38Å; D90-H123 IonicContact OD1-CD2 3.57Å; D90-H123 IonicContact OD1-CG 3.08Å; D90-H123 PolarHBondContact OD1-N 3.41Å; D90-H123 IonicContact OD2-CD2 2.74Å; D90-H123 PolarHBondContact OD2-CD2 2.67Å; D90-H123 IonicContact OD2-CG 3.57Å; D90-H123 IonicContact OD2-NE2 2.75Å; D90-E124 PolarHBondContact N-OE2 2.92Å; D90-H171 VanDerWaalsContact CG-NE2 3.33Å; D90-H171 IonicContact OD1-CE1 3.91Å; D90-H171 IonicContact OD1-NE2 2.74Å; D90-H171 PolarHBondContact OD1-NE2 2.9Å; D90-H171 IonicContact OD2-CE1 3.44Å; D90-H171 PolarHBondContact OD2-CE1 3.41Å; D90-H171 IonicContact OD2-NE2 2.77Å; D90-H171 PolarHBondContact OD2-NE2 3.14Å
91	Y	98.9	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.			trans	-83.3	-35.4	-179.9	-47.5	-54.1	0	0	0	112	G65 F87 G89 T101 I102 L105 L118 L119 E124 L157	G65-Y91 PolarHBondContact N-O 3.46Å; F87-Y91 HydrophobicContact CB-CE1 3.67Å; F87-Y91 HydrophobicContact CG-CE1 4.37Å; G89-Y91 PolarHBondContact N-OH 2.81Å; Y91-T101 VanDerWaalsContact O-CG2 3.27Å; Y91-T101 WeakPolarHBondContact O-CG2 3.25Å; Y91-I102 HydrophobicContact CD2-CD1 3.74Å; Y91-I102 HydrophobicContact CG-CD1 4Å; Y91-L105 HydrophobicContact CD1-CD1 3.33Å; Y91-L105 HydrophobicContact CE1-CD1 3.9Å; Y91-L105 HydrophobicContact CG-CD1 3.82Å; Y91-L118 HydrophobicContact CE1-CD2 4.04Å; Y91-L118 WeakPolarHBondContact OH-CA 3.45Å; Y91-L118 WeakPolarHBondContact OH-CB 3.42Å; Y91-L119 WeakPolarHBondContact CE2-O 3.25Å; Y91-L119 VanDerWaalsContact CZ-O 3.27Å; Y91-L119 PolarHBondContact OH-N 3.12Å; Y91-L119 VanDerWaalsContact OH-N 3.14Å; Y91-L119 PolarHBondContact OH-O 3.03Å; Y91-E124 HydrophobicContact CD2-CG 3.7Å; Y91-E124 WeakPolarHBondContact CD2-OE1 3.33Å; Y91-E124 HydrophobicContact CE2-CG 4.05Å; Y91-E124 PolarHBondContact N-OE1 2.96Å; Y91-L157 HydrophobicContact CE2-CD1 4.22Å
92	V	98.8	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-108.8	178.7	-170.7	-57.5	0	0	0	0	112	H64 I102 H123 N129 F134 F154	H64-V92 PolarHBondContact ND1-O 2.84Å; V92-I102 HydrophobicContact CG1-CB 4.1Å; V92-I102 HydrophobicContact CG1-CG2 4.35Å; V92-H123 HydrophobicContact CG2-CB 4.44Å; V92-N129 HydrophobicContact CG2-CB 4.14Å; V92-F134 HydrophobicContact CB-CB 4Å; V92-F134 HydrophobicContact CB-CD1 4.23Å; V92-F134 HydrophobicContact CB-CD2 3.89Å; V92-F134 HydrophobicContact CB-CE2 4.41Å; V92-F134 HydrophobicContact CB-CG 3.78Å; V92-F134 HydrophobicContact CG1-CD1 4.21Å; V92-F134 HydrophobicContact CG1-CD2 3.82Å; V92-F134 HydrophobicContact CG1-CE1 4.22Å; V92-F134 HydrophobicContact CG1-CE2 3.82Å; V92-F134 HydrophobicContact CG1-CG 4.02Å; V92-F134 HydrophobicContact CG1-CZ 4.02Å; V92-F134 HydrophobicContact CG2-CB 4.11Å; V92-F134 HydrophobicContact CG2-CD1 4.13Å; V92-F134 HydrophobicContact CG2-CG 4.06Å; V92-F154 HydrophobicContact CG1-CE2 4.46Å; V92-F154 HydrophobicContact CG1-CZ 3.98Å; V92-F154 HydrophobicContact CG2-CE2 4.33Å
93	D	98.5	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	66.5	166.6	-176.7	-63.8	-35.5	0	0	0	115.4	H64 G95 S98 H123 N129 Y132 G133 F134	H64-D93 CarbonylContact C-O 3.55Å; H64-D93 WeakPolarHBondContact CA-O 3.29Å; H64-D93 WeakPolarHBondContact CB-O 3.33Å; H64-D93 VanDerWaalsContact O-O 3.08Å; D93-G95 PolarHBondContact O-N 3.34Å; D93-S98 PolarHBondContact N-OG 3.3Å; D93-H123 VanDerWaalsContact CB-ND1 3.35Å; D93-H123 WeakPolarHBondContact CB-ND1 3.06Å; D93-H123 IonicContact OD2-CE1 3.74Å; D93-H123 IonicContact OD2-CG 3.11Å; D93-H123 IonicContact OD2-ND1 2.74Å; D93-H123 PolarHBondContact OD2-ND1 2.82Å; D93-N129 WeakPolarHBondContact OD1-CA 3.35Å; D93-N129 WeakPolarHBondContact OD1-CB 3.3Å; D93-N129 WeakPolarHBondContact OD2-CA 3.35Å; D93-N129 WeakPolarHBondContact OD2-CB 3.41Å; D93-Y132 WeakPolarHBondContact CB-O 3.35Å; D93-Y132 VanDerWaalsContact OD1-C 3.3Å; D93-G133 PolarHBondContact OD1-N 2.97Å; D93-F134 WeakPolarHBondContact OD1-CB 3.37Å; D93-F134 PolarHBondContact OD1-N 3.11Å
94	R	96.1	Very high	98.2	Very high	111 Å²	111	17.8 Å²	17.8	42%	0.419	8%	0.083	S	C	.	.	S	Bend	trans	65.8	-50.5	172.8	-52.2	-74.4	-168.3	129.7	4.5	114.9	H64 Y132 Y270	H64-R94 HydrophobicContact CB-CB 4.32Å; R94-Y132 PolarHBondContact N-O 2.95Å; R94-Y132 VanDerWaalsContact NE-CD1 3.32Å; R94-Y270 HydrophobicContact CB-CE2 4.3Å; R94-Y270 WeakPolarHBondContact CG-OH 3.27Å
95	G	94.6	Very high	98.2	Very high	24 Å²	24	15.9 Å²	15.9	25%	0.247	7%	0.073	C	C	.	.	S	Bend	trans	-75.9	-175.5	173.4	0	0	0	0	0	113.7	H64 D93	H64-G95 WeakPolarHBondContact O-CA 3.23Å; H64-G95 PolarHBondContact O-N 3.1Å; D93-G95 PolarHBondContact O-N 3.34Å
96	K	94.2	Very high	98.2	Very high	184 Å²	184	16 Å²	16	80%	0.8	7%	0.074	S	C	*	.	S	Bend	trans	-100.5	-15.8	-167.3	-63.9	180	-178.2	173.9	0	114.6	G65	G65-K96 PolarHBondContact O-N 2.85Å
97	Q	97.7	Very high	98.2	Very high	10 Å²	10	16 Å²	16	5%	0.047	7%	0.074	C	C	.	.			trans	-136.9	47.8	-169.1	-62.5	-168	-95.7	0	0	110.6	T24 G65 L99 E100 T101	T24-Q97 PolarHBondContact O-NE2 3.43Å; G65-Q97 CarbonylContact O-C 3.58Å; G65-Q97 PolarHBondContact O-N 3.1Å; G65-Q97 VanDerWaalsContact O-N 3.1Å; Q97-L99 PolarHBondContact O-N 3.32Å; Q97-E100 HydrophobicContact CB-CB 4.41Å; Q97-E100 WeakPolarHBondContact CB-OE2 3.41Å; Q97-E100 PolarHBondContact O-N 2.91Å; Q97-T101 PolarHBondContact O-N 2.91Å; Q97-T101 VanDerWaalsContact O-N 3.07Å; Q97-T101 PolarHBondContact O-OG1 2.83Å
98	S	98.7	Very high	98.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-61.8	-34.3	178.9	-60.2	0	0	0	0	111.4	D93 T101 I102 E137	D93-S98 PolarHBondContact N-OG 3.3Å; S98-T101 PolarHBondContact O-N 3.42Å; S98-I102 VanDerWaalsContact O-CG2 3.24Å; S98-I102 WeakPolarHBondContact O-CG2 3.42Å; S98-I102 PolarHBondContact O-N 3.23Å; S98-E137 WeakPolarHBondContact CA-OE2 3.24Å; S98-E137 WeakPolarHBondContact CB-OE2 3.48Å; S98-E137 PolarHBondContact N-OE2 3.38Å
99	L	98.7	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.9	-50.2	176	-78.6	163.8	0	0	0	112.3	M28 Q97 C103 F134 E137 R141 F142 F150	M28-L99 HydrophobicContact CE-CB 4.4Å; Q97-L99 PolarHBondContact O-N 3.32Å; L99-C103 WeakPolarHBondContact O-CB 3.48Å; L99-C103 PolarHBondContact O-N 3.08Å; L99-C103 PolarHBondContact O-SG 3.14Å; L99-F134 HydrophobicContact CD2-CE2 4.04Å; L99-F134 HydrophobicContact CD2-CZ 4.48Å; L99-F134 HydrophobicContact CG-CE2 4.2Å; L99-E137 WeakPolarHBondContact CB-OE1 3.37Å; L99-E137 HydrophobicContact CD1-CG 3.89Å; L99-E137 WeakPolarHBondContact CD1-OE1 3.26Å; L99-E137 HydrophobicContact CG-CG 4.37Å; L99-E137 PolarHBondContact N-OE1 3.29Å; L99-E137 PolarHBondContact N-OE2 2.9Å; L99-R141 HydrophobicContact CD1-CB 3.94Å; L99-R141 HydrophobicContact CD1-CG 4.38Å; L99-F142 HydrophobicContact CD1-CD2 3.8Å; L99-F142 HydrophobicContact CD1-CE2 3.8Å; L99-F142 HydrophobicContact CD2-CD2 4.2Å; L99-F142 HydrophobicContact CD2-CE2 4.18Å; L99-F150 HydrophobicContact CD2-CE2 3.62Å; L99-F150 HydrophobicContact CD2-CZ 3.85Å
100	E	98.6	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-44	176.8	-73.6	81.5	177.7	0	0	111.8	L14 T25 V26 M28 Y67 Q97 C103 L104 R141	L14-E100 HydrophobicContact CD2-CB 4.33Å; L14-E100 HydrophobicContact CD2-CG 4.33Å; T25-E100 VanDerWaalsContact CA-OE1 3.25Å; T25-E100 WeakPolarHBondContact CA-OE1 3.48Å; T25-E100 WeakPolarHBondContact CB-OE1 3.37Å; V26-E100 HydrophobicContact CB-CG 4.02Å; V26-E100 HydrophobicContact CG2-CG 3.89Å; V26-E100 PolarHBondContact N-OE1 2.77Å; M28-E100 HydrophobicContact CE-CG 4.26Å; Y67-E100 HydrophobicContact CD1-CB 3.5Å; Y67-E100 HydrophobicContact CD1-CG 4.05Å; Y67-E100 HydrophobicContact CD2-CB 3.7Å; Y67-E100 HydrophobicContact CE1-CB 3.66Å; Y67-E100 HydrophobicContact CE1-CG 4.06Å; Y67-E100 HydrophobicContact CE2-CB 3.85Å; Y67-E100 WeakPolarHBondContact CE2-O 3.48Å; Y67-E100 HydrophobicContact CG-CB 3.52Å; Q97-E100 HydrophobicContact CB-CB 4.41Å; Q97-E100 WeakPolarHBondContact CB-OE2 3.41Å; Q97-E100 PolarHBondContact O-N 2.91Å; E100-C103 PolarHBondContact O-N 2.87Å; E100-L104 WeakPolarHBondContact O-CB 3.07Å; E100-L104 PolarHBondContact O-N 3.33Å; E100-R141 IonicContact OE1-CZ 3.28Å; E100-R141 VanDerWaalsContact OE1-CZ 3.28Å; E100-R141 IonicContact OE1-NH1 3.03Å; E100-R141 PolarHBondContact OE1-NH1 2.9Å; E100-R141 IonicContact OE1-NH2 3.81Å; E100-R141 PolarHBondContact OE1-NH2 2.94Å; E100-R141 IonicContact OE2-CZ 3.71Å; E100-R141 IonicContact OE2-NH1 2.73Å; E100-R141 PolarHBondContact OE2-NH1 2.76Å; E100-R141 IonicContact OE2-NH2 3.61Å
101	T	98.8	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-54	-59.5	176.5	-71.1	0	0	0	0	110.9	I63 Y67 L70 Y91 Q97 S98 C103 L104 L105	I63-T101 HydrophobicContact CB-CG2 4.28Å; I63-T101 HydrophobicContact CG2-CG2 3.65Å; Y67-T101 WeakPolarHBondContact CA-OG1 3.12Å; L70-T101 HydrophobicContact CD2-CG2 4.13Å; Y91-T101 VanDerWaalsContact O-CG2 3.27Å; Y91-T101 WeakPolarHBondContact O-CG2 3.25Å; Q97-T101 PolarHBondContact O-N 2.91Å; Q97-T101 VanDerWaalsContact O-N 3.07Å; Q97-T101 PolarHBondContact O-OG1 2.83Å; S98-T101 PolarHBondContact O-N 3.42Å; T101-C103 VanDerWaalsContact C-N 3.34Å; T101-C103 PolarHBondContact O-N 2.52Å; T101-L104 PolarHBondContact O-N 3.32Å; T101-L105 HydrophobicContact CG2-CD1 4.08Å; T101-L105 VanDerWaalsContact O-CG 3.28Å; T101-L105 WeakPolarHBondContact O-CG 3.34Å; T101-L105 PolarHBondContact O-N 2.98Å; T101-L105 VanDerWaalsContact O-N 3.16Å
102	I	98.8	Very high	98.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-68.4	-35.3	-175.6	-168.1	57.3	0	0	0	111.9	Y91 V92 S98 L104 L105 L106 F134 F150 F154	Y91-I102 HydrophobicContact CD2-CD1 3.74Å; Y91-I102 HydrophobicContact CG-CD1 4Å; V92-I102 HydrophobicContact CG1-CB 4.1Å; V92-I102 HydrophobicContact CG1-CG2 4.35Å; S98-I102 VanDerWaalsContact O-CG2 3.24Å; S98-I102 WeakPolarHBondContact O-CG2 3.42Å; S98-I102 PolarHBondContact O-N 3.23Å; I102-L104 PolarHBondContact O-N 3.4Å; I102-L105 PolarHBondContact O-N 3.37Å; I102-L106 HydrophobicContact CD1-CD2 4.3Å; I102-L106 HydrophobicContact CD1-CG 4.14Å; I102-L106 HydrophobicContact CG1-CD1 4.19Å; I102-L106 HydrophobicContact CG1-CG 4.11Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 VanDerWaalsContact O-CG 3.27Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 2.93Å; I102-F134 HydrophobicContact CG2-CE2 4.27Å; I102-F134 HydrophobicContact CG2-CZ 4.22Å; I102-F150 HydrophobicContact CG1-CD1 4.48Å; I102-F150 HydrophobicContact CG1-CE1 4.19Å; I102-F150 HydrophobicContact CG2-CD1 4.29Å; I102-F150 HydrophobicContact CG2-CE1 3.52Å; I102-F150 HydrophobicContact CG2-CZ 3.9Å; I102-F154 HydrophobicContact CD1-CE1 3.86Å; I102-F154 HydrophobicContact CD1-CZ 4.39Å; I102-F154 HydrophobicContact CG1-CE1 3.77Å; I102-F154 HydrophobicContact CG1-CZ 4Å
103	C	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-42.4	178.5	-69.9	0	0	0	0	111.8	L14 M28 L36 L99 E100 T101 L106 A107	L14-C103 HydrophobicContact CD1-CB 4.27Å; L14-C103 HydrophobicContact CD2-CB 4.48Å; M28-C103 HydrophobicContact CE-CB 4.34Å; M28-C103 HydrophobicContact SD-CB 3.68Å; L36-C103 HydrophobicContact CD1-CB 3.77Å; L36-C103 WeakPolarHBondContact CD1-O 3.46Å; L99-C103 WeakPolarHBondContact O-CB 3.48Å; L99-C103 PolarHBondContact O-N 3.08Å; L99-C103 PolarHBondContact O-SG 3.14Å; E100-C103 PolarHBondContact O-N 2.87Å; T101-C103 VanDerWaalsContact C-N 3.34Å; T101-C103 PolarHBondContact O-N 2.52Å; C103-L106 PolarHBondContact O-N 2.86Å; C103-A107 VanDerWaalsContact O-CB 3.27Å; C103-A107 WeakPolarHBondContact O-CB 3.35Å; C103-A107 PolarHBondContact O-N 3.35Å
104	L	98.8	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-44.1	176.3	-177.3	61.3	0	0	0	111.7	L14 L15 Y67 L70 L71 F74 E100 T101 I102 L106 A107 Y108	L14-L104 HydrophobicContact CB-CD1 4.06Å; L14-L104 HydrophobicContact CD1-CB 4.18Å; L14-L104 HydrophobicContact CD1-CD1 4.26Å; L15-L104 HydrophobicContact CD2-CD1 4.19Å; L15-L104 HydrophobicContact CD2-CD2 4.08Å; Y67-L104 HydrophobicContact CE2-CB 3.99Å; Y67-L104 HydrophobicContact CE2-CD2 3.72Å; L70-L104 HydrophobicContact CD2-CD2 4.34Å; L71-L104 HydrophobicContact CD2-CD2 3.78Å; F74-L104 HydrophobicContact CD2-CD2 4.31Å; F74-L104 HydrophobicContact CE2-CD2 3.95Å; E100-L104 WeakPolarHBondContact O-CB 3.07Å; E100-L104 PolarHBondContact O-N 3.33Å; T101-L104 PolarHBondContact O-N 3.32Å; I102-L104 PolarHBondContact O-N 3.4Å; L104-L106 PolarHBondContact O-N 2.99Å; L104-A107 PolarHBondContact O-N 3.05Å; L104-Y108 HydrophobicContact CD1-CD2 3.95Å; L104-Y108 HydrophobicContact CD1-CE2 3.45Å; L104-Y108 VanDerWaalsContact CD1-CE2 3.45Å; L104-Y108 HydrophobicContact CD2-CE2 4Å; L104-Y108 HydrophobicContact CG-CD2 3.9Å; L104-Y108 HydrophobicContact CG-CE2 3.58Å; L104-Y108 WeakPolarHBondContact O-CD2 3.42Å; L104-Y108 PolarHBondContact O-N 3.19Å
105	L	98.9	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-44.3	177.8	-65.3	177.6	0	0	0	111.9	L70 F74 F87 Y91 T101 I102 Y108 K109 F116 L118	L70-L105 HydrophobicContact CD1-CD2 4.2Å; L70-L105 HydrophobicContact CD2-CD2 4.03Å; L70-L105 HydrophobicContact CD2-CG 4.16Å; F74-L105 HydrophobicContact CZ-CD2 4.15Å; F87-L105 HydrophobicContact CD1-CD2 4.42Å; F87-L105 HydrophobicContact CD2-CD2 4.27Å; F87-L105 HydrophobicContact CE1-CD2 4.1Å; F87-L105 HydrophobicContact CE2-CD2 3.94Å; F87-L105 HydrophobicContact CZ-CD2 3.86Å; Y91-L105 HydrophobicContact CD1-CD1 3.33Å; Y91-L105 HydrophobicContact CE1-CD1 3.9Å; Y91-L105 HydrophobicContact CG-CD1 3.82Å; T101-L105 HydrophobicContact CG2-CD1 4.08Å; T101-L105 VanDerWaalsContact O-CG 3.28Å; T101-L105 WeakPolarHBondContact O-CG 3.34Å; T101-L105 PolarHBondContact O-N 2.98Å; T101-L105 VanDerWaalsContact O-N 3.16Å; I102-L105 PolarHBondContact O-N 3.37Å; L105-Y108 PolarHBondContact O-N 2.9Å; L105-K109 PolarHBondContact O-N 2.81Å; L105-F116 HydrophobicContact CB-CE1 4.34Å; L105-F116 HydrophobicContact CD2-CE1 4.01Å; L105-F116 HydrophobicContact CD2-CZ 3.61Å; L105-F116 WeakPolarHBondContact O-CE1 3.39Å; L105-L118 HydrophobicContact CB-CD1 3.89Å; L105-L118 HydrophobicContact CB-CD2 4.13Å; L105-L118 HydrophobicContact CD1-CD2 4.33Å; L105-L118 HydrophobicContact CD2-CD2 4.28Å; L105-L118 HydrophobicContact CG-CD2 4.48Å
106	L	98.9	Very high	98.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-66.9	-37.8	176.3	-66.6	-174.2	0	0	0	112.2	L36 S40 F44 I102 C103 L104 K109 I110 L118 F150	L36-L106 HydrophobicContact CB-CB 4.25Å; L36-L106 HydrophobicContact CB-CD1 4.46Å; S40-L106 WeakPolarHBondContact OG-CD2 3.28Å; F44-L106 HydrophobicContact CE2-CD2 3.91Å; F44-L106 HydrophobicContact CZ-CD2 3.89Å; I102-L106 HydrophobicContact CD1-CD2 4.3Å; I102-L106 HydrophobicContact CD1-CG 4.14Å; I102-L106 HydrophobicContact CG1-CD1 4.19Å; I102-L106 HydrophobicContact CG1-CG 4.11Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 VanDerWaalsContact O-CG 3.27Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 2.93Å; C103-L106 PolarHBondContact O-N 2.86Å; L104-L106 PolarHBondContact O-N 2.99Å; L106-K109 WeakPolarHBondContact O-CB 3.36Å; L106-K109 PolarHBondContact O-N 2.81Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.22Å; L106-L118 HydrophobicContact CD2-CD1 4.18Å; L106-F150 HydrophobicContact CD1-CE1 4.29Å
107	A	98.7	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-44.5	176.3	0	0	0	0	0	111.3	V7 I11 L36 C103 L104 K109 I110 K111	V7-A107 HydrophobicContact CG1-CB 4.21Å; I11-A107 HydrophobicContact CD1-CB 4.08Å; I11-A107 HydrophobicContact CG1-CB 3.62Å; L36-A107 HydrophobicContact CD1-CB 4.45Å; L36-A107 HydrophobicContact CD2-CB 3.84Å; C103-A107 VanDerWaalsContact O-CB 3.27Å; C103-A107 WeakPolarHBondContact O-CB 3.35Å; C103-A107 PolarHBondContact O-N 3.35Å; L104-A107 PolarHBondContact O-N 3.05Å; A107-K109 VanDerWaalsContact C-N 3.34Å; A107-K109 PolarHBondContact O-N 2.81Å; A107-I110 PolarHBondContact O-N 3.08Å; A107-K111 WeakPolarHBondContact O-CB 3.49Å; A107-K111 PolarHBondContact O-N 3.38Å
108	Y	98.8	Very high	98.7	Very high	6 Å²	6	19.5 Å²	19.5	2%	0.024	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-36	172.6	-74.6	-45.7	0	0	0	113.1	I11 L15 F74 F79 P80 L104 L105 I110 K111 H112 F116	I11-Y108 HydrophobicContact CD1-CD1 4.12Å; I11-Y108 HydrophobicContact CD1-CE1 4.26Å; I11-Y108 HydrophobicContact CG2-CE1 4Å; L15-Y108 WeakPolarHBondContact CD1-OH 3.36Å; F74-Y108 HydrophobicContact CD2-CE2 4.31Å; F74-Y108 HydrophobicContact CE2-CD2 4.28Å; F74-Y108 AromaticContact CE2-CE2 3.84Å; F74-Y108 HydrophobicContact CE2-CE2 3.84Å; F74-Y108 HydrophobicContact CZ-CD2 4.2Å; F74-Y108 HydrophobicContact CZ-CE2 4.13Å; F79-Y108 WeakPolarHBondContact CD1-OH 3.43Å; P80-Y108 HydrophobicContact CB-CD1 3.87Å; P80-Y108 HydrophobicContact CB-CE1 4.07Å; P80-Y108 HydrophobicContact CB-CG 4.19Å; P80-Y108 HydrophobicContact CG-CD1 4.07Å; P80-Y108 HydrophobicContact CG-CD2 3.96Å; P80-Y108 HydrophobicContact CG-CE1 4.18Å; P80-Y108 HydrophobicContact CG-CE2 4.05Å; P80-Y108 HydrophobicContact CG-CG 3.97Å; L104-Y108 HydrophobicContact CD1-CD2 3.95Å; L104-Y108 HydrophobicContact CD1-CE2 3.45Å; L104-Y108 VanDerWaalsContact CD1-CE2 3.45Å; L104-Y108 HydrophobicContact CD2-CE2 4Å; L104-Y108 HydrophobicContact CG-CD2 3.9Å; L104-Y108 HydrophobicContact CG-CE2 3.58Å; L104-Y108 WeakPolarHBondContact O-CD2 3.42Å; L104-Y108 PolarHBondContact O-N 3.19Å; L105-Y108 PolarHBondContact O-N 2.9Å; Y108-I110 VanDerWaalsContact C-N 3.28Å; Y108-I110 PolarHBondContact O-N 3.18Å; Y108-K111 PolarHBondContact O-N 3.22Å; Y108-H112 PolarHBondContact O-N 3.05Å; Y108-F116 HydrophobicContact CD2-CE2 4.15Å; Y108-F116 HydrophobicContact CD2-CZ 4.14Å; Y108-F116 HydrophobicContact CG-CE2 4.35Å; Y108-F116 HydrophobicContact CG-CZ 4.47Å
109	K	98.8	Very high	98.7	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-39.1	173.4	-178.8	58.3	179.1	170.7	0	112.2	I43 F44 L105 L106 A107 P113 F116 L118	I43-K109 HydrophobicContact CG2-CD 4.44Å; I43-K109 HydrophobicContact CG2-CG 4.49Å; F44-K109 HydrophobicContact CD1-CG 4.48Å; F44-K109 HydrophobicContact CE1-CD 4.02Å; F44-K109 HydrophobicContact CE1-CG 3.68Å; F44-K109 HydrophobicContact CZ-CG 3.91Å; L105-K109 PolarHBondContact O-N 2.81Å; L106-K109 WeakPolarHBondContact O-CB 3.36Å; L106-K109 PolarHBondContact O-N 2.81Å; A107-K109 VanDerWaalsContact C-N 3.34Å; A107-K109 PolarHBondContact O-N 2.81Å; K109-P113 PolarHBondContact NZ-O 2.9Å; K109-P113 VanDerWaalsContact O-CA 3.22Å; K109-P113 WeakPolarHBondContact O-CA 3.45Å; K109-F116 HydrophobicContact CB-CD1 4.35Å; K109-F116 WeakPolarHBondContact CD-O 3.44Å; K109-F116 PolarHBondContact NZ-O 3.28Å; K109-L118 HydrophobicContact CB-CD1 4.31Å
110	I	98.6	Very high	98.7	Very high	28 Å²	28	19.7 Å²	19.7	14%	0.144	10%	0.096	C	C	.	.	H	α-helix	trans	-71.2	-42.7	176.9	-67.9	162	0	0	0	111	V7 L36 T39 I43 L106 A107 Y108	V7-I110 HydrophobicContact CG1-CG2 4.5Å; V7-I110 HydrophobicContact CG2-CG2 4.08Å; L36-I110 HydrophobicContact CB-CD1 4.45Å; L36-I110 HydrophobicContact CD2-CD1 3.65Å; T39-I110 HydrophobicContact CG2-CD1 4.04Å; T39-I110 HydrophobicContact CG2-CG1 3.98Å; T39-I110 HydrophobicContact CG2-CG2 4.07Å; I43-I110 HydrophobicContact CD1-CB 4.29Å; I43-I110 HydrophobicContact CD1-CG1 3.96Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.22Å; A107-I110 PolarHBondContact O-N 3.08Å; Y108-I110 VanDerWaalsContact C-N 3.28Å; Y108-I110 PolarHBondContact O-N 3.18Å
111	K	98.3	Very high	98.7	Very high	88 Å²	88	19.7 Å²	19.7	38%	0.383	10%	0.096	S	C	.	.	H	α-helix	trans	-71.6	-35.5	-177.2	-172.8	66	179.8	-170.9	0	112.9	D8 I11 A107 Y108	D8-K111 VanDerWaalsContact OD1-CD 3.28Å; D8-K111 WeakPolarHBondContact OD1-CD 3.47Å; D8-K111 WeakPolarHBondContact OD1-CE 3.41Å; D8-K111 IonicContact OD1-NZ 3.81Å; D8-K111 PolarHBondContact OD1-NZ 2.74Å; D8-K111 IonicContact OD2-NZ 3.65Å; D8-K111 PolarHBondContact OD2-NZ 3.02Å; I11-K111 HydrophobicContact CD1-CB 4.06Å; I11-K111 HydrophobicContact CD1-CG 4.31Å; A107-K111 WeakPolarHBondContact O-CB 3.49Å; A107-K111 PolarHBondContact O-N 3.38Å; Y108-K111 PolarHBondContact O-N 3.22Å
112	H	98.4	Very high	98.7	Very high	30 Å²	30	19.8 Å²	19.8	14%	0.139	10%	0.097	C	C	.	.			trans	-133.1	60.7	-172.9	-55.5	-58	0	0	0	111.6	Y108 E114 N115 F116	Y108-H112 PolarHBondContact O-N 3.05Å; H112-E114 PolarHBondContact O-N 3.47Å; H112-E114 VanDerWaalsContact O-N 3.08Å; H112-N115 HydrophobicContact CB-CB 4.22Å; H112-N115 PolarHBondContact O-N 2.98Å; H112-F116 HydrophobicContact CB-CB 4.23Å; H112-F116 WeakPolarHBondContact O-CB 3.49Å; H112-F116 PolarHBondContact O-N 3.39Å
113	P	98.5	Very high	98.7	Very high	40 Å²	40	20.2 Å²	20.2	26%	0.26	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.6	-170.2	23.8	-34.3	0	0	0	114.3	I43 Q47 K109	I43-P113 HydrophobicContact CD1-CB 4.48Å; I43-P113 HydrophobicContact CG2-CB 3.91Å; Q47-P113 PolarHBondContact NE2-O 3.28Å; K109-P113 PolarHBondContact NZ-O 2.9Å; K109-P113 VanDerWaalsContact O-CA 3.22Å; K109-P113 WeakPolarHBondContact O-CA 3.45Å
114	E	98.4	Very high	98.7	Very high	128 Å²	128	20.2 Å²	20.2	60%	0.598	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	2.5	-178.5	-54.2	-51.9	129.1	0	0	113.6	Q47 H112 F117	Q47-E114 PolarHBondContact NE2-OE1 3.27Å; H112-E114 PolarHBondContact O-N 3.47Å; H112-E114 VanDerWaalsContact O-N 3.08Å; E114-F117 VanDerWaalsContact C-CZ 3.49Å; E114-F117 VanDerWaalsContact O-CZ 3.32Å; E114-F117 WeakPolarHBondContact O-CZ 3.05Å
115	N	98.5	Very high	98.7	Very high	64 Å²	64	20.5 Å²	20.5	34%	0.342	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-10.3	179.4	-58.4	92.9	0	0	0	112.9	N84 Y85 H112	N84-N115 CarbonylContact C-O 3.56Å; N84-N115 WeakPolarHBondContact CA-O 3.25Å; N84-N115 VanDerWaalsContact OD1-CB 3.28Å; N84-N115 WeakPolarHBondContact OD1-CB 3.4Å; N84-N115 PolarHBondContact OD1-ND2 3.22Å; Y85-N115 PolarHBondContact N-O 3.49Å; H112-N115 HydrophobicContact CB-CB 4.22Å; H112-N115 PolarHBondContact O-N 2.98Å
116	F	98.8	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119.8	-176.6	-160.2	-91.4	0	0	0	110.4	F74 P80 Y85 F87 L105 Y108 K109 H112 L118	F74-F116 HydrophobicContact CE1-CE2 4.03Å; F74-F116 HydrophobicContact CE1-CZ 4.46Å; F74-F116 HydrophobicContact CZ-CE2 4.03Å; F74-F116 HydrophobicContact CZ-CZ 4.05Å; P80-F116 HydrophobicContact CB-CD2 4.17Å; P80-F116 HydrophobicContact CG-CD2 3.66Å; P80-F116 HydrophobicContact CG-CE2 3.61Å; Y85-F116 HydrophobicContact CD2-CD2 4.31Å; Y85-F116 HydrophobicContact CD2-CE2 4.21Å; Y85-F116 HydrophobicContact CG-CD2 4.33Å; Y85-F116 HydrophobicContact CG-CE2 4.07Å; F87-F116 HydrophobicContact CD2-CE1 4.45Å; F87-F116 HydrophobicContact CD2-CE2 4.49Å; F87-F116 AromaticContact CD2-CZ 3.97Å; F87-F116 HydrophobicContact CD2-CZ 3.97Å; F87-F116 HydrophobicContact CE2-CE1 4.38Å; F87-F116 AromaticContact CE2-CE2 3.8Å; F87-F116 HydrophobicContact CE2-CE2 3.8Å; F87-F116 AromaticContact CE2-CZ 3.49Å; F87-F116 HydrophobicContact CE2-CZ 3.49Å; F87-F116 VanDerWaalsContact CE2-CZ 3.49Å; F87-F116 HydrophobicContact CZ-CZ 4.38Å; L105-F116 HydrophobicContact CB-CE1 4.34Å; L105-F116 HydrophobicContact CD2-CE1 4.01Å; L105-F116 HydrophobicContact CD2-CZ 3.61Å; L105-F116 WeakPolarHBondContact O-CE1 3.39Å; Y108-F116 HydrophobicContact CD2-CE2 4.15Å; Y108-F116 HydrophobicContact CD2-CZ 4.14Å; Y108-F116 HydrophobicContact CG-CE2 4.35Å; Y108-F116 HydrophobicContact CG-CZ 4.47Å; K109-F116 HydrophobicContact CB-CD1 4.35Å; K109-F116 WeakPolarHBondContact CD-O 3.44Å; K109-F116 PolarHBondContact NZ-O 3.28Å; H112-F116 HydrophobicContact CB-CB 4.23Å; H112-F116 WeakPolarHBondContact O-CB 3.49Å; H112-F116 PolarHBondContact O-N 3.39Å; F116-L118 HydrophobicContact CD1-CD2 4.38Å; F116-L118 HydrophobicContact CD1-CG 4.35Å; F116-L118 HydrophobicContact CE1-CD1 4.35Å; F116-L118 HydrophobicContact CE1-CD2 3.71Å; F116-L118 HydrophobicContact CE1-CG 4.07Å; F116-L118 HydrophobicContact CZ-CD2 4.44Å
117	F	98.9	Very high	98.6	Very high	20 Å²	20	24.7 Å²	24.7	9%	0.088	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.2	-170.8	-56.3	-81.7	0	0	0	110.9	L51 L53 Y85 L86 F87 E114	L51-F117 HydrophobicContact CD1-CB 3.97Å; L51-F117 HydrophobicContact CD1-CD1 3.86Å; L51-F117 HydrophobicContact CD1-CG 4.25Å; L53-F117 HydrophobicContact CD1-CB 4.27Å; L53-F117 HydrophobicContact CD1-CD2 3.95Å; L53-F117 HydrophobicContact CD1-CE2 4.46Å; L53-F117 HydrophobicContact CD1-CG 3.99Å; L53-F117 HydrophobicContact CD2-CD1 3.72Å; L53-F117 HydrophobicContact CD2-CD2 3.88Å; L53-F117 HydrophobicContact CD2-CE1 3.5Å; L53-F117 HydrophobicContact CD2-CE2 3.68Å; L53-F117 HydrophobicContact CD2-CG 3.9Å; L53-F117 HydrophobicContact CD2-CZ 3.48Å; L53-F117 VanDerWaalsContact CD2-CZ 3.48Å; Y85-F117 WeakPolarHBondContact O-CD2 3.26Å; Y85-F117 PolarHBondContact O-N 2.98Å; L86-F117 CarbonylContact C-O 3.56Å; L86-F117 WeakPolarHBondContact CA-O 3.35Å; L86-F117 HydrophobicContact CD1-CB 3.71Å; F87-F117 PolarHBondContact N-O 3.45Å; E114-F117 VanDerWaalsContact C-CZ 3.49Å; E114-F117 VanDerWaalsContact O-CZ 3.32Å; E114-F117 WeakPolarHBondContact O-CZ 3.05Å
118	L	99	Very high	98.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	116	-176.6	-63	177.8	0	0	0	107.6	F44 F87 Y91 L105 L106 K109 F116 L157 P158	F44-L118 HydrophobicContact CE1-CB 4.26Å; F44-L118 HydrophobicContact CZ-CB 4.42Å; F44-L118 HydrophobicContact CZ-CD1 4.14Å; F87-L118 HydrophobicContact CB-CD2 3.78Å; F87-L118 HydrophobicContact CD2-CD2 3.82Å; F87-L118 HydrophobicContact CG-CD2 3.98Å; Y91-L118 HydrophobicContact CE1-CD2 4.04Å; Y91-L118 WeakPolarHBondContact OH-CA 3.45Å; Y91-L118 WeakPolarHBondContact OH-CB 3.42Å; L105-L118 HydrophobicContact CB-CD1 3.89Å; L105-L118 HydrophobicContact CB-CD2 4.13Å; L105-L118 HydrophobicContact CD1-CD2 4.33Å; L105-L118 HydrophobicContact CD2-CD2 4.28Å; L105-L118 HydrophobicContact CG-CD2 4.48Å; L106-L118 HydrophobicContact CD2-CD1 4.18Å; K109-L118 HydrophobicContact CB-CD1 4.31Å; F116-L118 HydrophobicContact CD1-CD2 4.38Å; F116-L118 HydrophobicContact CD1-CG 4.35Å; F116-L118 HydrophobicContact CE1-CD1 4.35Å; F116-L118 HydrophobicContact CE1-CD2 3.71Å; F116-L118 HydrophobicContact CE1-CG 4.07Å; F116-L118 HydrophobicContact CZ-CD2 4.44Å; L118-L157 HydrophobicContact CB-CD2 4.05Å; L118-P158 VanDerWaalsContact O-CD 3.29Å; L118-P158 WeakPolarHBondContact O-CD 3.13Å; L118-P158 WeakPolarHBondContact O-CG 3.32Å
119	L	98.9	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.			trans	-81.9	172.3	169	-59.5	-171.7	0	0	0	110.8	L51 L86 F87 L88 Y91 P158 A161 C169	L51-L119 HydrophobicContact CD1-CD2 3.92Å; L86-L119 HydrophobicContact CD1-CD1 4.29Å; L86-L119 HydrophobicContact CD1-CD2 4.08Å; L86-L119 HydrophobicContact CD1-CG 3.81Å; F87-L119 WeakPolarHBondContact O-CB 3.4Å; F87-L119 PolarHBondContact O-N 2.91Å; L88-L119 HydrophobicContact CD2-CD1 3.86Å; Y91-L119 WeakPolarHBondContact CE2-O 3.25Å; Y91-L119 VanDerWaalsContact CZ-O 3.27Å; Y91-L119 PolarHBondContact OH-N 3.12Å; Y91-L119 VanDerWaalsContact OH-N 3.14Å; Y91-L119 PolarHBondContact OH-O 3.03Å; L119-P158 CarbonylContact C-O 3.52Å; L119-P158 WeakPolarHBondContact CA-O 3.46Å; L119-P158 HydrophobicContact CD2-CB 4.27Å; L119-P158 HydrophobicContact CD2-CG 4.09Å; L119-A161 HydrophobicContact CD1-CB 4.47Å; L119-A161 HydrophobicContact CD2-CB 4.24Å; L119-C169 HydrophobicContact CD1-CB 4.31Å
120	R	98.9	Very high	98.5	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.015	16%	0.158	C	C	.	.			trans	-88.6	132.9	171.2	-159.7	173.9	-174.2	172.5	4.4	109.3	E124 F154 N155 L157 P158 I159 H171 S191 L203	R120-E124 HydrophobicContact CG-CB 3.83Å; R120-E124 PolarHBondContact NE-O 3.24Å; R120-E124 PolarHBondContact NH2-O 2.96Å; R120-F154 PolarHBondContact NE-O 3.35Å; R120-N155 PolarHBondContact NH2-OD1 2.87Å; R120-L157 HydrophobicContact CB-CB 3.74Å; R120-L157 HydrophobicContact CB-CD1 4.32Å; R120-L157 HydrophobicContact CG-CB 4.05Å; R120-L157 HydrophobicContact CG-CD1 4.12Å; R120-P158 PolarHBondContact N-O 2.77Å; R120-I159 HydrophobicContact CB-CG2 4.41Å; R120-H171 WeakPolarHBondContact O-CB 3.35Å; R120-S191 PolarHBondContact NH1-O 3.44Å; R120-L203 HydrophobicContact CB-CD2 4.36Å; R120-L203 HydrophobicContact CG-CD1 4.32Å; R120-L203 WeakPolarHBondContact O-CD2 3.41Å
121	G	98.8	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.			trans	-98.4	176.4	162.4	0	0	0	0	0	111.6	D90 H123 E124 H171	D90-G121 WeakPolarHBondContact OD1-CA 3.16Å; G121-H123 PolarHBondContact O-N 3.38Å; G121-E124 VanDerWaalsContact CA-OE2 3.25Å; G121-E124 WeakPolarHBondContact CA-OE2 3.25Å; G121-E124 PolarHBondContact N-OE2 3.38Å; G121-E124 PolarHBondContact O-N 3.09Å; G121-H171 VanDerWaalsContact CA-CG 3.45Å
122	N	98.6	Very high	98.4	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.3	178.5	64.8	-60.9	0	0	0	112.5	D90 E124 C125 H171 L203 W204 H246	D90-N122 PolarHBondContact OD1-N 3.22Å; D90-N122 PolarHBondContact OD1-OD1 2.98Å; D90-N122 PolarHBondContact OD2-OD1 3.25Å; N122-E124 VanDerWaalsContact C-N 3.32Å; N122-C125 PolarHBondContact O-SG 2.89Å; N122-C125 VanDerWaalsContact O-SG 3.35Å; N122-H171 PolarHBondContact N-CD2 2.85Å; N122-H171 PolarHBondContact OD1-CD2 3.42Å; N122-H171 PolarHBondContact OD1-NE2 3.07Å; N122-L203 HydrophobicContact CB-CB 4.4Å; N122-W204 HydrophobicContact CB-CD2 3.8Å; N122-W204 VanDerWaalsContact CB-CE2 3.44Å; N122-W204 HydrophobicContact CB-CE3 4.28Å; N122-W204 HydrophobicContact CB-CG 4.31Å; N122-W204 HydrophobicContact CB-CH2 4.22Å; N122-W204 HydrophobicContact CB-CZ2 3.68Å; N122-W204 HydrophobicContact CB-CZ3 4.48Å; N122-W204 WeakPolarHBondContact ND2-CH2 3.43Å; N122-W204 WeakPolarHBondContact ND2-CZ2 3.5Å; N122-W204 WeakPolarHBondContact ND2-CZ3 3.43Å; N122-H246 PolarHBondContact OD1-CE1 3.21Å; N122-H246 PolarHBondContact OD1-ND1 2.97Å
123	H	98.6	Very high	98.4	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.042	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14	173.7	-77.1	-102.8	0	0	0	113.7	H64 D90 V92 D93 G121 C125 I128 N129 Y132	H64-H123 AromaticContact CE1-CD2 3.54Å; H64-H123 AromaticContact CE1-CE1 3.84Å; H64-H123 AromaticContact CE1-CG 3.68Å; H64-H123 AromaticContact CE1-ND1 3.87Å; H64-H123 AromaticContact CE1-NE2 3.66Å; D90-H123 WeakPolarHBondContact OD1-CB 3.38Å; D90-H123 IonicContact OD1-CD2 3.57Å; D90-H123 IonicContact OD1-CG 3.08Å; D90-H123 PolarHBondContact OD1-N 3.41Å; D90-H123 IonicContact OD2-CD2 2.74Å; D90-H123 PolarHBondContact OD2-CD2 2.67Å; D90-H123 IonicContact OD2-CG 3.57Å; D90-H123 IonicContact OD2-NE2 2.75Å; V92-H123 HydrophobicContact CG2-CB 4.44Å; D93-H123 VanDerWaalsContact CB-ND1 3.35Å; D93-H123 WeakPolarHBondContact CB-ND1 3.06Å; D93-H123 IonicContact OD2-CE1 3.74Å; D93-H123 IonicContact OD2-CG 3.11Å; D93-H123 IonicContact OD2-ND1 2.74Å; D93-H123 PolarHBondContact OD2-ND1 2.82Å; G121-H123 PolarHBondContact O-N 3.38Å; H123-C125 PolarHBondContact O-N 2.97Å; H123-I128 HydrophobicContact CB-CG2 4.32Å; H123-I128 WeakPolarHBondContact ND1-CG2 3.5Å; H123-N129 WeakPolarHBondContact O-CB 3.2Å; H123-N129 PolarHBondContact O-ND2 3.41Å; H123-Y132 AromaticContact CE1-CD2 3.93Å
124	E	98.8	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-81.7	43.5	172	-77.1	75.1	-128.7	0	0	112.4	D90 Y91 R120 G121 N122 F154 L157	D90-E124 PolarHBondContact N-OE2 2.92Å; Y91-E124 HydrophobicContact CD2-CG 3.7Å; Y91-E124 WeakPolarHBondContact CD2-OE1 3.33Å; Y91-E124 HydrophobicContact CE2-CG 4.05Å; Y91-E124 PolarHBondContact N-OE1 2.96Å; R120-E124 HydrophobicContact CG-CB 3.83Å; R120-E124 PolarHBondContact NE-O 3.24Å; R120-E124 PolarHBondContact NH2-O 2.96Å; G121-E124 VanDerWaalsContact CA-OE2 3.25Å; G121-E124 WeakPolarHBondContact CA-OE2 3.25Å; G121-E124 PolarHBondContact N-OE2 3.38Å; G121-E124 PolarHBondContact O-N 3.09Å; N122-E124 VanDerWaalsContact C-N 3.32Å; E124-F154 HydrophobicContact CB-CB 4.01Å; E124-F154 HydrophobicContact CB-CD1 4.37Å; E124-F154 HydrophobicContact CB-CD2 4.09Å; E124-F154 HydrophobicContact CB-CG 3.92Å; E124-F154 HydrophobicContact CG-CD1 3.95Å; E124-F154 HydrophobicContact CG-CD2 4.12Å; E124-F154 HydrophobicContact CG-CE1 4.14Å; E124-F154 HydrophobicContact CG-CE2 4.29Å; E124-F154 HydrophobicContact CG-CG 3.96Å; E124-F154 HydrophobicContact CG-CZ 4.31Å; E124-F154 WeakPolarHBondContact O-CB 3.47Å; E124-L157 HydrophobicContact CB-CD1 3.97Å; E124-L157 HydrophobicContact CG-CD1 3.83Å
125	C	98.1	Very high	98.4	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.041	15%	0.149	C	C	.	.	S	Bend	trans	-138.3	153.5	169.3	80	0	0	0	0	112.3	N122 H123 A127 I128 N129 I193	N122-C125 PolarHBondContact O-SG 2.89Å; N122-C125 VanDerWaalsContact O-SG 3.35Å; H123-C125 PolarHBondContact O-N 2.97Å; C125-A127 VanDerWaalsContact C-N 3.32Å; C125-A127 PolarHBondContact O-N 3.39Å; C125-I128 PolarHBondContact O-N 3.16Å; C125-I128 WeakPolarHBondContact SG-CG1 3.31Å; C125-N129 PolarHBondContact O-N 3.18Å; C125-N129 VanDerWaalsContact O-N 3.08Å; C125-N129 PolarHBondContact O-ND2 2.8Å; C125-N129 PolarHBondContact O-OD1 3.31Å; C125-I193 HydrophobicContact CB-CB 4.31Å; C125-I193 HydrophobicContact CB-CD1 3.55Å; C125-I193 HydrophobicContact CB-CG1 3.82Å
126	A	98.1	Very high	98.4	Very high	20 Å²	20	28.7 Å²	28.7	17%	0.165	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-36.6	-173.9	0	0	0	0	0	112.6	I128 R130 W147 T151	A126-I128 PolarHBondContact O-N 3.42Å; A126-R130 WeakPolarHBondContact O-CB 3.36Å; A126-R130 PolarHBondContact O-N 3.29Å; A126-R130 VanDerWaalsContact O-N 3.13Å; A126-W147 HydrophobicContact CB-CH2 3.94Å; A126-W147 HydrophobicContact CB-CZ2 3.88Å; A126-T151 HydrophobicContact CB-CG2 3.86Å
127	A	97.4	Very high	98.4	Very high	70 Å²	70	29.2 Å²	29.2	58%	0.579	16%	0.156	S	C	*	.	H	α-helix	trans	-62.2	-42.3	-177.8	0	0	0	0	0	112.2	C125	C125-A127 VanDerWaalsContact C-N 3.32Å; C125-A127 PolarHBondContact O-N 3.39Å
128	I	98.1	Very high	98.4	Very high	25 Å²	25	28.2 Å²	28.2	13%	0.128	15%	0.152	C	C	.	.	H	α-helix	trans	-81.2	-53	-176.8	-61.7	-56.8	0	0	0	110.9	H123 C125 A126 R130 I131 Y132 W204	H123-I128 HydrophobicContact CB-CG2 4.32Å; H123-I128 WeakPolarHBondContact ND1-CG2 3.5Å; C125-I128 PolarHBondContact O-N 3.16Å; C125-I128 WeakPolarHBondContact SG-CG1 3.31Å; A126-I128 PolarHBondContact O-N 3.42Å; I128-R130 PolarHBondContact O-N 2.85Å; I128-R130 VanDerWaalsContact O-N 3.09Å; I128-I131 WeakPolarHBondContact O-CG1 3.33Å; I128-I131 PolarHBondContact O-N 3.02Å; I128-Y132 HydrophobicContact CB-CD2 4.46Å; I128-Y132 HydrophobicContact CD1-CE2 4.39Å; I128-Y132 HydrophobicContact CG2-CD2 3.53Å; I128-Y132 HydrophobicContact CG2-CE2 3.96Å; I128-Y132 VanDerWaalsContact O-CD2 3.31Å; I128-Y132 WeakPolarHBondContact O-CD2 3.45Å; I128-Y132 PolarHBondContact O-N 2.91Å; I128-W204 HydrophobicContact CD1-CH2 3.7Å; I128-W204 HydrophobicContact CD1-CZ2 3.67Å; I128-W204 HydrophobicContact CG1-CH2 4.14Å; I128-W204 HydrophobicContact CG1-CZ2 3.76Å
129	N	98.5	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-76	-3.5	-175.2	73.8	33	0	0	0	114.8	V92 D93 H123 C125 I131 F134 Y135 W147	V92-N129 HydrophobicContact CG2-CB 4.14Å; D93-N129 WeakPolarHBondContact OD1-CA 3.35Å; D93-N129 WeakPolarHBondContact OD1-CB 3.3Å; D93-N129 WeakPolarHBondContact OD2-CA 3.35Å; D93-N129 WeakPolarHBondContact OD2-CB 3.41Å; H123-N129 WeakPolarHBondContact O-CB 3.2Å; H123-N129 PolarHBondContact O-ND2 3.41Å; C125-N129 PolarHBondContact O-N 3.18Å; C125-N129 VanDerWaalsContact O-N 3.08Å; C125-N129 PolarHBondContact O-ND2 2.8Å; C125-N129 PolarHBondContact O-OD1 3.31Å; N129-I131 VanDerWaalsContact C-N 3.3Å; N129-F134 HydrophobicContact CB-CB 3.92Å; N129-F134 HydrophobicContact CB-CD1 4.38Å; N129-Y135 WeakPolarHBondContact O-CB 3.17Å; N129-Y135 PolarHBondContact O-N 2.98Å; N129-W147 PolarHBondContact OD1-NE1 3.43Å
130	R	98.3	Very high	98.3	Very high	102 Å²	102	42 Å²	42	39%	0.385	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-30.1	165.1	178.5	61.2	-174.9	85.9	-1.2	112.9	A126 I128 Y135 W147	A126-R130 WeakPolarHBondContact O-CB 3.36Å; A126-R130 PolarHBondContact O-N 3.29Å; A126-R130 VanDerWaalsContact O-N 3.13Å; I128-R130 PolarHBondContact O-N 2.85Å; I128-R130 VanDerWaalsContact O-N 3.09Å; R130-Y135 VanDerWaalsContact CD-CG 3.48Å; R130-Y135 VanDerWaalsContact CZ-CE1 3.4Å; R130-W147 HydrophobicContact CB-CZ2 4.12Å
131	I	97.6	Very high	98.2	Very high	109 Å²	109	44.4 Å²	44.4	56%	0.559	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115	-23.1	-170.2	58.2	168.3	0	0	0	113.7	I128 N129	I128-I131 WeakPolarHBondContact O-CG1 3.33Å; I128-I131 PolarHBondContact O-N 3.02Å; N129-I131 VanDerWaalsContact C-N 3.3Å
132	Y	97.5	Very high	98.2	Very high	96 Å²	96	46.7 Å²	46.7	38%	0.376	23%	0.226	S	C	.	.	S	Bend	trans	-99	6.5	-176	-67.1	-70.7	0	0	0	115.3	D93 R94 H123 I128	D93-Y132 WeakPolarHBondContact CB-O 3.35Å; D93-Y132 VanDerWaalsContact OD1-C 3.3Å; R94-Y132 PolarHBondContact N-O 2.95Å; R94-Y132 VanDerWaalsContact NE-CD1 3.32Å; H123-Y132 AromaticContact CE1-CD2 3.93Å; I128-Y132 HydrophobicContact CB-CD2 4.46Å; I128-Y132 HydrophobicContact CD1-CE2 4.39Å; I128-Y132 HydrophobicContact CG2-CD2 3.53Å; I128-Y132 HydrophobicContact CG2-CE2 3.96Å; I128-Y132 VanDerWaalsContact O-CD2 3.31Å; I128-Y132 WeakPolarHBondContact O-CD2 3.45Å; I128-Y132 PolarHBondContact O-N 2.91Å
133	G	97.8	Very high	98.1	Very high	28 Å²	28	47.9 Å²	47.9	29%	0.289	24%	0.235	S	C	.	.	S	Bend	trans	132.4	-27.9	160.2	0	0	0	0	0	116.2	D93 Y135 D136 E137	D93-G133 PolarHBondContact OD1-N 2.97Å; G133-Y135 PolarHBondContact O-N 3.43Å; G133-D136 PolarHBondContact O-N 3.22Å; G133-E137 PolarHBondContact O-N 2.9Å
134	F	98.7	Very high	98.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-39.6	-172.6	-173.7	-128.6	0	0	0	113.1	V92 D93 L99 I102 N129 D136 E137 C138 W147 F150 F154	V92-F134 HydrophobicContact CB-CB 4Å; V92-F134 HydrophobicContact CB-CD1 4.23Å; V92-F134 HydrophobicContact CB-CD2 3.89Å; V92-F134 HydrophobicContact CB-CE2 4.41Å; V92-F134 HydrophobicContact CB-CG 3.78Å; V92-F134 HydrophobicContact CG1-CD1 4.21Å; V92-F134 HydrophobicContact CG1-CD2 3.82Å; V92-F134 HydrophobicContact CG1-CE1 4.22Å; V92-F134 HydrophobicContact CG1-CE2 3.82Å; V92-F134 HydrophobicContact CG1-CG 4.02Å; V92-F134 HydrophobicContact CG1-CZ 4.02Å; V92-F134 HydrophobicContact CG2-CB 4.11Å; V92-F134 HydrophobicContact CG2-CD1 4.13Å; V92-F134 HydrophobicContact CG2-CG 4.06Å; D93-F134 WeakPolarHBondContact OD1-CB 3.37Å; D93-F134 PolarHBondContact OD1-N 3.11Å; L99-F134 HydrophobicContact CD2-CE2 4.04Å; L99-F134 HydrophobicContact CD2-CZ 4.48Å; L99-F134 HydrophobicContact CG-CE2 4.2Å; I102-F134 HydrophobicContact CG2-CE2 4.27Å; I102-F134 HydrophobicContact CG2-CZ 4.22Å; N129-F134 HydrophobicContact CB-CB 3.92Å; N129-F134 HydrophobicContact CB-CD1 4.38Å; F134-D136 VanDerWaalsContact C-N 3.33Å; F134-D136 PolarHBondContact O-N 2.88Å; F134-E137 PolarHBondContact O-N 3.45Å; F134-C138 WeakPolarHBondContact O-CB 3.5Å; F134-C138 PolarHBondContact O-N 3.16Å; F134-C138 PolarHBondContact O-SG 2.96Å; F134-W147 AromaticContact CD1-CD1 3.86Å; F134-F150 HydrophobicContact CE1-CB 3.69Å; F134-F150 HydrophobicContact CE1-CD1 4.3Å; F134-F150 AromaticContact CE1-CD2 3.95Å; F134-F150 HydrophobicContact CE1-CD2 3.95Å; F134-F150 AromaticContact CE1-CG 3.75Å; F134-F150 HydrophobicContact CE1-CG 3.75Å; F134-F150 HydrophobicContact CZ-CB 4.07Å; F134-F150 AromaticContact CZ-CD1 3.89Å; F134-F150 HydrophobicContact CZ-CD1 3.89Å; F134-F150 AromaticContact CZ-CD2 3.55Å; F134-F150 HydrophobicContact CZ-CD2 3.55Å; F134-F150 HydrophobicContact CZ-CE1 4.15Å; F134-F150 AromaticContact CZ-CE2 3.81Å; F134-F150 HydrophobicContact CZ-CE2 3.81Å; F134-F150 AromaticContact CZ-CG 3.58Å; F134-F150 HydrophobicContact CZ-CG 3.58Å; F134-F150 HydrophobicContact CZ-CZ 4.09Å; F134-F154 HydrophobicContact CD1-CE2 4.14Å; F134-F154 AromaticContact CE1-CE2 3.68Å; F134-F154 HydrophobicContact CE1-CE2 3.68Å; F134-F154 AromaticContact CE1-CZ 3.89Å; F134-F154 HydrophobicContact CE1-CZ 3.89Å; F134-F154 HydrophobicContact CZ-CE2 4.49Å; F134-F154 HydrophobicContact CZ-CZ 4.27Å
135	Y	98.7	Very high	98.1	Very high	27 Å²	27	58.2 Å²	58.2	11%	0.106	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-47.2	173.3	171.9	-84.8	0	0	0	111.9	N129 R130 G133 E137 C138 K139 V144 W147	N129-Y135 WeakPolarHBondContact O-CB 3.17Å; N129-Y135 PolarHBondContact O-N 2.98Å; R130-Y135 VanDerWaalsContact CD-CG 3.48Å; R130-Y135 VanDerWaalsContact CZ-CE1 3.4Å; G133-Y135 PolarHBondContact O-N 3.43Å; Y135-E137 VanDerWaalsContact C-N 3.34Å; Y135-C138 PolarHBondContact O-N 3.36Å; Y135-K139 HydrophobicContact CE1-CB 4.46Å; Y135-K139 HydrophobicContact CE1-CD 3.9Å; Y135-K139 VanDerWaalsContact O-CB 3.31Å; Y135-K139 WeakPolarHBondContact O-CB 3.29Å; Y135-K139 PolarHBondContact O-N 2.83Å; Y135-V144 HydrophobicContact CE2-CG1 3.95Å; Y135-V144 HydrophobicContact CE2-CG2 4.3Å; Y135-W147 AromaticContact CD2-CD2 3.52Å; Y135-W147 HydrophobicContact CD2-CD2 3.52Å; Y135-W147 AromaticContact CD2-CE2 3.75Å; Y135-W147 AromaticContact CD2-CE3 3.68Å; Y135-W147 HydrophobicContact CD2-CE3 3.68Å; Y135-W147 AromaticContact CD2-CG 3.93Å; Y135-W147 HydrophobicContact CD2-CG 3.93Å; Y135-W147 HydrophobicContact CD2-CH2 4.25Å; Y135-W147 HydrophobicContact CD2-CZ2 4.11Å; Y135-W147 HydrophobicContact CD2-CZ3 4.05Å; Y135-W147 HydrophobicContact CE2-CD2 4.27Å; Y135-W147 AromaticContact CE2-CE3 3.98Å; Y135-W147 HydrophobicContact CE2-CE3 3.98Å; Y135-W147 HydrophobicContact CE2-CZ3 4.24Å; Y135-W147 HydrophobicContact CG-CD2 4.47Å
136	D	98.3	Very high	98.1	Very high	82 Å²	82	58 Å²	58	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-69.2	-35.6	-178.7	-72.1	-38.6	0	0	0	111.2	G133 F134 R140	G133-D136 PolarHBondContact O-N 3.22Å; F134-D136 VanDerWaalsContact C-N 3.33Å; F134-D136 PolarHBondContact O-N 2.88Å; D136-R140 WeakPolarHBondContact O-CB 3.35Å; D136-R140 PolarHBondContact O-N 3.32Å
137	E	98.4	Very high	98.1	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.051	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-49.3	172.6	-159.9	-169.1	156.9	0	0	111.7	S98 L99 G133 F134 Y135 R140 R141	S98-E137 WeakPolarHBondContact CA-OE2 3.24Å; S98-E137 WeakPolarHBondContact CB-OE2 3.48Å; S98-E137 PolarHBondContact N-OE2 3.38Å; L99-E137 WeakPolarHBondContact CB-OE1 3.37Å; L99-E137 HydrophobicContact CD1-CG 3.89Å; L99-E137 WeakPolarHBondContact CD1-OE1 3.26Å; L99-E137 HydrophobicContact CG-CG 4.37Å; L99-E137 PolarHBondContact N-OE1 3.29Å; L99-E137 PolarHBondContact N-OE2 2.9Å; G133-E137 PolarHBondContact O-N 2.9Å; F134-E137 PolarHBondContact O-N 3.45Å; Y135-E137 VanDerWaalsContact C-N 3.34Å; E137-R140 PolarHBondContact O-N 3.11Å; E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 PolarHBondContact O-N 3.37Å; E137-R141 IonicContact OE1-CZ 3.94Å; E137-R141 IonicContact OE1-NH1 2.87Å; E137-R141 PolarHBondContact OE1-NH1 3.47Å
138	C	98.5	Very high	98.2	Very high	0 Å²	0	61 Å²	61	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-47.4	176.7	-72.3	0	0	0	0	111.8	F134 Y135 R140 R141 F142 S143 W147	F134-C138 WeakPolarHBondContact O-CB 3.5Å; F134-C138 PolarHBondContact O-N 3.16Å; F134-C138 PolarHBondContact O-SG 2.96Å; Y135-C138 PolarHBondContact O-N 3.36Å; C138-R140 VanDerWaalsContact C-N 3.31Å; C138-R140 PolarHBondContact O-N 3.5Å; C138-R141 PolarHBondContact O-N 3.03Å; C138-F142 CarbonylContact O-C 3.16Å; C138-F142 VanDerWaalsContact O-C 3.28Å; C138-F142 WeakPolarHBondContact O-CA 3.43Å; C138-F142 PolarHBondContact O-N 3.23Å; C138-S143 PolarHBondContact O-N 2.89Å; C138-S143 VanDerWaalsContact O-N 3.11Å; C138-W147 HydrophobicContact CB-CB 3.76Å
139	K	98.1	Very high	98.2	Very high	119 Å²	119	60.8 Å²	60.8	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-39.3	179.1	179.7	-179.4	174.4	-172.5	0	112	Y135 V144	Y135-K139 HydrophobicContact CE1-CB 4.46Å; Y135-K139 HydrophobicContact CE1-CD 3.9Å; Y135-K139 VanDerWaalsContact O-CB 3.31Å; Y135-K139 WeakPolarHBondContact O-CB 3.29Å; Y135-K139 PolarHBondContact O-N 2.83Å; K139-V144 HydrophobicContact CB-CG2 4.22Å; K139-V144 HydrophobicContact CD-CG2 4.24Å; K139-V144 HydrophobicContact CG-CG2 4Å
140	R	97.7	Very high	98.2	Very high	172 Å²	172	60.9 Å²	60.9	65%	0.649	27%	0.273	S	S	*	.	H	α-helix	trans	-73.5	-39.3	-178.7	-179.9	179.8	58.3	77.9	-0.6	112.8	D136 E137 C138	D136-R140 WeakPolarHBondContact O-CB 3.35Å; D136-R140 PolarHBondContact O-N 3.32Å; E137-R140 PolarHBondContact O-N 3.11Å; C138-R140 VanDerWaalsContact C-N 3.31Å; C138-R140 PolarHBondContact O-N 3.5Å
141	R	97.7	Very high	98.2	Very high	54 Å²	54	56.7 Å²	56.7	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-96.8	-25.7	-173.1	-69.6	-179.6	57.7	-176	7.9	114.2	V26 L99 E100 E137 C138	V26-R141 PolarHBondContact O-NH2 2.97Å; L99-R141 HydrophobicContact CD1-CB 3.94Å; L99-R141 HydrophobicContact CD1-CG 4.38Å; E100-R141 IonicContact OE1-CZ 3.28Å; E100-R141 VanDerWaalsContact OE1-CZ 3.28Å; E100-R141 IonicContact OE1-NH1 3.03Å; E100-R141 PolarHBondContact OE1-NH1 2.9Å; E100-R141 IonicContact OE1-NH2 3.81Å; E100-R141 PolarHBondContact OE1-NH2 2.94Å; E100-R141 IonicContact OE2-CZ 3.71Å; E100-R141 IonicContact OE2-NH1 2.73Å; E100-R141 PolarHBondContact OE2-NH1 2.76Å; E100-R141 IonicContact OE2-NH2 3.61Å; E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 PolarHBondContact O-N 3.37Å; E137-R141 IonicContact OE1-CZ 3.94Å; E137-R141 IonicContact OE1-NH1 2.87Å; E137-R141 PolarHBondContact OE1-NH1 3.47Å; C138-R141 PolarHBondContact O-N 3.03Å
142	F	97.7	Very high	98.3	Very high	48 Å²	48	55.7 Å²	55.7	21%	0.211	26%	0.255	C	S	.	.	S	Bend	trans	-138.3	-106.3	-177.1	-64.5	-71.1	0	0	0	110.1	M28 E30 V33 L99 C138 L146	M28-F142 HydrophobicContact CB-CZ 4.27Å; M28-F142 VanDerWaalsContact O-CE1 3.22Å; M28-F142 WeakPolarHBondContact O-CE1 3.43Å; M28-F142 WeakPolarHBondContact O-CZ 3.29Å; E30-F142 HydrophobicContact CB-CD1 3.97Å; E30-F142 HydrophobicContact CB-CE1 4.41Å; E30-F142 HydrophobicContact CG-CD1 4.45Å; V33-F142 HydrophobicContact CG2-CE2 4.27Å; V33-F142 HydrophobicContact CG2-CZ 4.02Å; L99-F142 HydrophobicContact CD1-CD2 3.8Å; L99-F142 HydrophobicContact CD1-CE2 3.8Å; L99-F142 HydrophobicContact CD2-CD2 4.2Å; L99-F142 HydrophobicContact CD2-CE2 4.18Å; C138-F142 CarbonylContact O-C 3.16Å; C138-F142 VanDerWaalsContact O-C 3.28Å; C138-F142 WeakPolarHBondContact O-CA 3.43Å; C138-F142 PolarHBondContact O-N 3.23Å; F142-L146 HydrophobicContact CB-CB 4.3Å; F142-L146 HydrophobicContact CB-CD2 3.46Å; F142-L146 VanDerWaalsContact CB-CD2 3.46Å; F142-L146 HydrophobicContact CD1-CD2 4.15Å; F142-L146 HydrophobicContact CD2-CD2 3.47Å; F142-L146 VanDerWaalsContact CD2-CD2 3.47Å; F142-L146 HydrophobicContact CE2-CD2 4.21Å; F142-L146 HydrophobicContact CG-CD2 3.43Å; F142-L146 VanDerWaalsContact CG-CD2 3.43Å
143	S	97.7	Very high	98.4	Very high	28 Å²	28	51.2 Å²	51.2	20%	0.196	24%	0.237	C	C	.	.			trans	-151.4	157.6	-176	70	0	0	0	0	111.6	E30 C138 R145 L146 W147	E30-S143 PolarHBondContact OE1-OG 2.68Å; E30-S143 PolarHBondContact OE2-OG 2.94Å; C138-S143 PolarHBondContact O-N 2.89Å; C138-S143 VanDerWaalsContact O-N 3.11Å; S143-R145 PolarHBondContact O-N 2.63Å; S143-L146 WeakPolarHBondContact O-CB 3.49Å; S143-L146 PolarHBondContact O-N 3.15Å; S143-L146 VanDerWaalsContact O-N 3.13Å; S143-L146 PolarHBondContact OG-N 3.39Å; S143-W147 PolarHBondContact O-N 2.76Å
144	V	98.3	Very high	98.4	Very high	50 Å²	50	49.9 Å²	49.9	30%	0.303	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-27.5	170.6	176.7	0	0	0	0	111.3	Y135 K139 L146 W147 K148	Y135-V144 HydrophobicContact CE2-CG1 3.95Å; Y135-V144 HydrophobicContact CE2-CG2 4.3Å; K139-V144 HydrophobicContact CB-CG2 4.22Å; K139-V144 HydrophobicContact CD-CG2 4.24Å; K139-V144 HydrophobicContact CG-CG2 4Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-W147 PolarHBondContact O-N 2.91Å; V144-K148 PolarHBondContact O-N 3.32Å
145	R	98.3	Very high	98.4	Very high	176 Å²	176	50.9 Å²	50.9	66%	0.664	23%	0.229	S	C	*	.	H	α-helix	trans	-64.5	-39.8	175.2	-175.9	-180	-179.8	177.8	0.8	111.3	S143 K148 T149	S143-R145 PolarHBondContact O-N 2.63Å; R145-K148 PolarHBondContact O-N 2.85Å; R145-T149 PolarHBondContact O-N 3.15Å; R145-T149 VanDerWaalsContact O-N 3.1Å; R145-T149 PolarHBondContact O-OG1 3.22Å
146	L	98.3	Very high	98.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-40.6	177.2	-169.9	66.2	0	0	0	111.6	E30 V33 R34 F142 S143 V144 K148 T149 F150	E30-L146 HydrophobicContact CG-CD1 4.09Å; E30-L146 HydrophobicContact CG-CD2 4.25Å; V33-L146 HydrophobicContact CB-CD1 4.2Å; V33-L146 HydrophobicContact CB-CD2 4.14Å; V33-L146 HydrophobicContact CG1-CD1 3.99Å; V33-L146 HydrophobicContact CG1-CD2 3.86Å; V33-L146 HydrophobicContact CG1-CG 4.24Å; R34-L146 HydrophobicContact CB-CD1 4.37Å; F142-L146 HydrophobicContact CB-CB 4.3Å; F142-L146 HydrophobicContact CB-CD2 3.46Å; F142-L146 VanDerWaalsContact CB-CD2 3.46Å; F142-L146 HydrophobicContact CD1-CD2 4.15Å; F142-L146 HydrophobicContact CD2-CD2 3.47Å; F142-L146 VanDerWaalsContact CD2-CD2 3.47Å; F142-L146 HydrophobicContact CE2-CD2 4.21Å; F142-L146 HydrophobicContact CG-CD2 3.43Å; F142-L146 VanDerWaalsContact CG-CD2 3.43Å; S143-L146 WeakPolarHBondContact O-CB 3.49Å; S143-L146 PolarHBondContact O-N 3.15Å; S143-L146 VanDerWaalsContact O-N 3.13Å; S143-L146 PolarHBondContact OG-N 3.39Å; V144-L146 VanDerWaalsContact C-N 3.34Å; L146-K148 VanDerWaalsContact C-N 3.31Å; L146-K148 PolarHBondContact O-N 3.41Å; L146-T149 WeakPolarHBondContact O-CA 3.27Å; L146-T149 VanDerWaalsContact O-CB 3.3Å; L146-T149 WeakPolarHBondContact O-CB 3.39Å; L146-T149 PolarHBondContact O-N 2.85Å; L146-F150 HydrophobicContact CD2-CE2 4.15Å; L146-F150 HydrophobicContact CG-CD2 4.18Å; L146-F150 HydrophobicContact CG-CE2 3.91Å; L146-F150 WeakPolarHBondContact O-CD2 3.38Å; L146-F150 PolarHBondContact O-N 2.95Å
147	W	98.7	Very high	98.4	Very high	28 Å²	28	45.9 Å²	45.9	11%	0.106	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-43.7	173.1	173.7	76.4	0	0	0	112.2	A126 N129 R130 F134 Y135 C138 S143 V144 T149 F150 T151	A126-W147 HydrophobicContact CB-CH2 3.94Å; A126-W147 HydrophobicContact CB-CZ2 3.88Å; N129-W147 PolarHBondContact OD1-NE1 3.43Å; R130-W147 HydrophobicContact CB-CZ2 4.12Å; F134-W147 AromaticContact CD1-CD1 3.86Å; Y135-W147 AromaticContact CD2-CD2 3.52Å; Y135-W147 HydrophobicContact CD2-CD2 3.52Å; Y135-W147 AromaticContact CD2-CE2 3.75Å; Y135-W147 AromaticContact CD2-CE3 3.68Å; Y135-W147 HydrophobicContact CD2-CE3 3.68Å; Y135-W147 AromaticContact CD2-CG 3.93Å; Y135-W147 HydrophobicContact CD2-CG 3.93Å; Y135-W147 HydrophobicContact CD2-CH2 4.25Å; Y135-W147 HydrophobicContact CD2-CZ2 4.11Å; Y135-W147 HydrophobicContact CD2-CZ3 4.05Å; Y135-W147 HydrophobicContact CE2-CD2 4.27Å; Y135-W147 AromaticContact CE2-CE3 3.98Å; Y135-W147 HydrophobicContact CE2-CE3 3.98Å; Y135-W147 HydrophobicContact CE2-CZ3 4.24Å; Y135-W147 HydrophobicContact CG-CD2 4.47Å; C138-W147 HydrophobicContact CB-CB 3.76Å; S143-W147 PolarHBondContact O-N 2.76Å; V144-W147 PolarHBondContact O-N 2.91Å; W147-T149 VanDerWaalsContact C-N 3.29Å; W147-T149 PolarHBondContact O-N 3.09Å; W147-F150 WeakPolarHBondContact O-CB 3.42Å; W147-F150 PolarHBondContact O-N 3.26Å; W147-F150 VanDerWaalsContact O-N 3.13Å; W147-T151 PolarHBondContact O-N 2.82Å; W147-T151 PolarHBondContact O-OG1 2.81Å
148	K	98.6	Very high	98.5	Very high	126 Å²	126	45.4 Å²	45.4	55%	0.548	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-37	174	-66.5	-176.9	177.6	-173.3	0	112.5	V144 R145 L146 F150 T151 D152	V144-K148 PolarHBondContact O-N 3.32Å; R145-K148 PolarHBondContact O-N 2.85Å; L146-K148 VanDerWaalsContact C-N 3.31Å; L146-K148 PolarHBondContact O-N 3.41Å; K148-F150 VanDerWaalsContact C-N 3.34Å; K148-T151 WeakPolarHBondContact O-CB 3.29Å; K148-T151 PolarHBondContact O-N 3.46Å; K148-D152 PolarHBondContact O-N 2.91Å
149	T	98.7	Very high	98.5	Very high	21 Å²	21	45.5 Å²	45.5	13%	0.129	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-38.8	174.4	-55.2	0	0	0	0	111.7	R34 C37 R145 L146 W147 D152 C153	R34-T149 HydrophobicContact CG-CG2 4.19Å; C37-T149 HydrophobicContact CB-CG2 3.68Å; R145-T149 PolarHBondContact O-N 3.15Å; R145-T149 VanDerWaalsContact O-N 3.1Å; R145-T149 PolarHBondContact O-OG1 3.22Å; L146-T149 WeakPolarHBondContact O-CA 3.27Å; L146-T149 VanDerWaalsContact O-CB 3.3Å; L146-T149 WeakPolarHBondContact O-CB 3.39Å; L146-T149 PolarHBondContact O-N 2.85Å; W147-T149 VanDerWaalsContact C-N 3.29Å; W147-T149 PolarHBondContact O-N 3.09Å; T149-D152 PolarHBondContact O-N 2.98Å; T149-C153 PolarHBondContact O-N 3.38Å; T149-C153 VanDerWaalsContact O-N 3.15Å
150	F	98.8	Very high	98.5	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-43.3	171	-80.4	-72.1	0	0	0	111.9	V33 C37 L99 I102 L106 F134 L146 W147 K148 D152 C153 F154	V33-F150 HydrophobicContact CG1-CE1 4.24Å; V33-F150 HydrophobicContact CG1-CE2 3.61Å; V33-F150 HydrophobicContact CG1-CZ 3.26Å; C37-F150 WeakPolarHBondContact SG-CD1 3.43Å; C37-F150 WeakPolarHBondContact SG-CE1 3.27Å; L99-F150 HydrophobicContact CD2-CE2 3.62Å; L99-F150 HydrophobicContact CD2-CZ 3.85Å; I102-F150 HydrophobicContact CG1-CD1 4.48Å; I102-F150 HydrophobicContact CG1-CE1 4.19Å; I102-F150 HydrophobicContact CG2-CD1 4.29Å; I102-F150 HydrophobicContact CG2-CE1 3.52Å; I102-F150 HydrophobicContact CG2-CZ 3.9Å; L106-F150 HydrophobicContact CD1-CE1 4.29Å; F134-F150 HydrophobicContact CE1-CB 3.69Å; F134-F150 HydrophobicContact CE1-CD1 4.3Å; F134-F150 AromaticContact CE1-CD2 3.95Å; F134-F150 HydrophobicContact CE1-CD2 3.95Å; F134-F150 AromaticContact CE1-CG 3.75Å; F134-F150 HydrophobicContact CE1-CG 3.75Å; F134-F150 HydrophobicContact CZ-CB 4.07Å; F134-F150 AromaticContact CZ-CD1 3.89Å; F134-F150 HydrophobicContact CZ-CD1 3.89Å; F134-F150 AromaticContact CZ-CD2 3.55Å; F134-F150 HydrophobicContact CZ-CD2 3.55Å; F134-F150 HydrophobicContact CZ-CE1 4.15Å; F134-F150 AromaticContact CZ-CE2 3.81Å; F134-F150 HydrophobicContact CZ-CE2 3.81Å; F134-F150 AromaticContact CZ-CG 3.58Å; F134-F150 HydrophobicContact CZ-CG 3.58Å; F134-F150 HydrophobicContact CZ-CZ 4.09Å; L146-F150 HydrophobicContact CD2-CE2 4.15Å; L146-F150 HydrophobicContact CG-CD2 4.18Å; L146-F150 HydrophobicContact CG-CE2 3.91Å; L146-F150 WeakPolarHBondContact O-CD2 3.38Å; L146-F150 PolarHBondContact O-N 2.95Å; W147-F150 WeakPolarHBondContact O-CB 3.42Å; W147-F150 PolarHBondContact O-N 3.26Å; W147-F150 VanDerWaalsContact O-N 3.13Å; K148-F150 VanDerWaalsContact C-N 3.34Å; F150-D152 VanDerWaalsContact C-N 3.31Å; F150-D152 PolarHBondContact O-N 3.08Å; F150-C153 CarbonylContact O-C 3.47Å; F150-C153 WeakPolarHBondContact O-CA 3.45Å; F150-C153 WeakPolarHBondContact O-CB 3.28Å; F150-C153 PolarHBondContact O-N 2.89Å; F150-C153 VanDerWaalsContact O-N 3.09Å; F150-F154 HydrophobicContact CB-CE2 4.14Å; F150-F154 HydrophobicContact CB-CZ 4.19Å; F150-F154 HydrophobicContact CD1-CE1 4.25Å; F150-F154 HydrophobicContact CD1-CZ 4.06Å; F150-F154 HydrophobicContact CG-CZ 4.49Å; F150-F154 WeakPolarHBondContact O-CB 3.3Å; F150-F154 VanDerWaalsContact O-CG 3.23Å; F150-F154 WeakPolarHBondContact O-CG 3.42Å; F150-F154 PolarHBondContact O-N 3.47Å
151	T	98.8	Very high	98.6	Very high	15 Å²	15	31.7 Å²	31.7	9%	0.092	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-45.8	174.3	-54.3	0	0	0	0	111.8	A126 W147 K148 C153 F154 N155	A126-T151 HydrophobicContact CB-CG2 3.86Å; W147-T151 PolarHBondContact O-N 2.82Å; W147-T151 PolarHBondContact O-OG1 2.81Å; K148-T151 WeakPolarHBondContact O-CB 3.29Å; K148-T151 PolarHBondContact O-N 3.46Å; T151-C153 VanDerWaalsContact C-N 3.25Å; T151-C153 PolarHBondContact O-N 3.3Å; T151-F154 PolarHBondContact O-N 2.83Å; T151-N155 WeakPolarHBondContact O-CB 3.36Å; T151-N155 PolarHBondContact O-N 3.47Å; T151-N155 PolarHBondContact O-ND2 2.85Å
152	D	98.7	Very high	98.6	Very high	88 Å²	88	29.4 Å²	29.4	47%	0.471	14%	0.139	S	C	.	.	H	α-helix	trans	-61.5	-34.3	177.7	-67.6	-29.5	0	0	0	112.6	R41 K148 T149 F150 C156	R41-D152 WeakPolarHBondContact CD-O 3.27Å; R41-D152 PolarHBondContact NE-O 3.33Å; K148-D152 PolarHBondContact O-N 2.91Å; T149-D152 PolarHBondContact O-N 2.98Å; F150-D152 VanDerWaalsContact C-N 3.31Å; F150-D152 PolarHBondContact O-N 3.08Å; D152-C156 PolarHBondContact O-SG 3.44Å
153	C	98.8	Very high	98.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-70.4	-50	173.9	-178.2	0	0	0	0	111.5	C37 S40 T149 F150 T151 N155 C156	C37-C153 HydrophobicContact CB-CB 4.14Å; S40-C153 PolarHBondContact OG-SG 3.21Å; T149-C153 PolarHBondContact O-N 3.38Å; T149-C153 VanDerWaalsContact O-N 3.15Å; F150-C153 CarbonylContact O-C 3.47Å; F150-C153 WeakPolarHBondContact O-CA 3.45Å; F150-C153 WeakPolarHBondContact O-CB 3.28Å; F150-C153 PolarHBondContact O-N 2.89Å; F150-C153 VanDerWaalsContact O-N 3.09Å; T151-C153 VanDerWaalsContact C-N 3.25Å; T151-C153 PolarHBondContact O-N 3.3Å; C153-N155 VanDerWaalsContact C-N 3.3Å; C153-N155 PolarHBondContact O-N 3.49Å; C153-C156 WeakPolarHBondContact O-CB 3.33Å; C153-C156 PolarHBondContact O-N 2.75Å
154	F	98.9	Very high	98.7	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-37	-179	-66.7	-16.3	0	0	0	112.9	V92 I102 R120 E124 F134 F150 T151 C156 L157	V92-F154 HydrophobicContact CG1-CE2 4.46Å; V92-F154 HydrophobicContact CG1-CZ 3.98Å; V92-F154 HydrophobicContact CG2-CE2 4.33Å; I102-F154 HydrophobicContact CD1-CE1 3.86Å; I102-F154 HydrophobicContact CD1-CZ 4.39Å; I102-F154 HydrophobicContact CG1-CE1 3.77Å; I102-F154 HydrophobicContact CG1-CZ 4Å; R120-F154 PolarHBondContact NE-O 3.35Å; E124-F154 HydrophobicContact CB-CB 4.01Å; E124-F154 HydrophobicContact CB-CD1 4.37Å; E124-F154 HydrophobicContact CB-CD2 4.09Å; E124-F154 HydrophobicContact CB-CG 3.92Å; E124-F154 HydrophobicContact CG-CD1 3.95Å; E124-F154 HydrophobicContact CG-CD2 4.12Å; E124-F154 HydrophobicContact CG-CE1 4.14Å; E124-F154 HydrophobicContact CG-CE2 4.29Å; E124-F154 HydrophobicContact CG-CG 3.96Å; E124-F154 HydrophobicContact CG-CZ 4.31Å; E124-F154 WeakPolarHBondContact O-CB 3.47Å; F134-F154 HydrophobicContact CD1-CE2 4.14Å; F134-F154 AromaticContact CE1-CE2 3.68Å; F134-F154 HydrophobicContact CE1-CE2 3.68Å; F134-F154 AromaticContact CE1-CZ 3.89Å; F134-F154 HydrophobicContact CE1-CZ 3.89Å; F134-F154 HydrophobicContact CZ-CE2 4.49Å; F134-F154 HydrophobicContact CZ-CZ 4.27Å; F150-F154 HydrophobicContact CB-CE2 4.14Å; F150-F154 HydrophobicContact CB-CZ 4.19Å; F150-F154 HydrophobicContact CD1-CE1 4.25Å; F150-F154 HydrophobicContact CD1-CZ 4.06Å; F150-F154 HydrophobicContact CG-CZ 4.49Å; F150-F154 WeakPolarHBondContact O-CB 3.3Å; F150-F154 VanDerWaalsContact O-CG 3.23Å; F150-F154 WeakPolarHBondContact O-CG 3.42Å; F150-F154 PolarHBondContact O-N 3.47Å; T151-F154 PolarHBondContact O-N 2.83Å; F154-C156 PolarHBondContact O-N 3.37Å; F154-L157 HydrophobicContact CB-CD1 4.36Å; F154-L157 HydrophobicContact CD1-CD1 4.03Å; F154-L157 WeakPolarHBondContact O-CB 3.42Å; F154-L157 PolarHBondContact O-N 3.36Å
155	N	98.8	Very high	98.7	Very high	21 Å²	21	30 Å²	30	11%	0.112	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.2	174.2	-72.9	-11.8	0	0	0	113.6	R120 T151 C153 P190 S191	R120-N155 PolarHBondContact NH2-OD1 2.87Å; T151-N155 WeakPolarHBondContact O-CB 3.36Å; T151-N155 PolarHBondContact O-N 3.47Å; T151-N155 PolarHBondContact O-ND2 2.85Å; C153-N155 VanDerWaalsContact C-N 3.3Å; C153-N155 PolarHBondContact O-N 3.49Å; N155-P190 HydrophobicContact CB-CB 3.79Å; N155-P190 VanDerWaalsContact O-CA 3.25Å; N155-P190 WeakPolarHBondContact O-CA 3.35Å; N155-S191 WeakPolarHBondContact CA-O 3.42Å; N155-S191 WeakPolarHBondContact CB-O 3.31Å; N155-S191 PolarHBondContact O-N 3.41Å; N155-S191 PolarHBondContact OD1-O 3.21Å
156	C	98.8	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-2.7	178.5	-57.7	0	0	0	0	113.9	R41 F44 L45 D152 C153 F154 R189	R41-C156 HydrophobicContact CG-CB 3.97Å; R41-C156 VanDerWaalsContact CG-SG 3.56Å; R41-C156 PolarHBondContact NE-SG 2.84Å; R41-C156 VanDerWaalsContact NE-SG 3.4Å; F44-C156 HydrophobicContact CB-CB 4.28Å; F44-C156 VanDerWaalsContact CB-O 3.24Å; F44-C156 WeakPolarHBondContact CB-O 3.04Å; L45-C156 HydrophobicContact CD2-CB 4.04Å; L45-C156 HydrophobicContact CG-CB 4.03Å; D152-C156 PolarHBondContact O-SG 3.44Å; C153-C156 WeakPolarHBondContact O-CB 3.33Å; C153-C156 PolarHBondContact O-N 2.75Å; F154-C156 PolarHBondContact O-N 3.37Å; C156-R189 VanDerWaalsContact O-CD 3.27Å; C156-R189 WeakPolarHBondContact O-CD 3.32Å; C156-R189 PolarHBondContact O-NH1 2.85Å
157	L	98.9	Very high	98.7	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.125	C	C	.	.	S	Bend	trans	-61.1	143.4	178.6	-75.4	164.8	0	0	0	111.5	F44 Y91 L118 R120 E124 F154 R189	F44-L157 HydrophobicContact CD1-CD2 4.16Å; F44-L157 HydrophobicContact CD2-CD2 4.1Å; F44-L157 HydrophobicContact CE1-CD2 3.68Å; F44-L157 HydrophobicContact CE2-CD2 3.65Å; F44-L157 HydrophobicContact CE2-CG 4.43Å; F44-L157 HydrophobicContact CG-CD2 4.36Å; F44-L157 HydrophobicContact CZ-CD2 3.43Å; F44-L157 VanDerWaalsContact CZ-CD2 3.43Å; Y91-L157 HydrophobicContact CE2-CD1 4.22Å; L118-L157 HydrophobicContact CB-CD2 4.05Å; R120-L157 HydrophobicContact CB-CB 3.74Å; R120-L157 HydrophobicContact CB-CD1 4.32Å; R120-L157 HydrophobicContact CG-CB 4.05Å; R120-L157 HydrophobicContact CG-CD1 4.12Å; E124-L157 HydrophobicContact CB-CD1 3.97Å; E124-L157 HydrophobicContact CG-CD1 3.83Å; F154-L157 HydrophobicContact CB-CD1 4.36Å; F154-L157 HydrophobicContact CD1-CD1 4.03Å; F154-L157 WeakPolarHBondContact O-CB 3.42Å; F154-L157 PolarHBondContact O-N 3.36Å; L157-R189 WeakPolarHBondContact O-CD 3.33Å
158	P	98.9	Very high	98.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	12%	0.12	C	C	.	.			trans	-64.7	154.2	166.1	29.7	-33.1	0	0	0	110.2	I49 L51 L118 L119 R120	I49-P158 CarbonylContact O-C 3.58Å; I49-P158 WeakPolarHBondContact O-CA 3.48Å; I49-P158 VanDerWaalsContact O-CB 3.23Å; I49-P158 WeakPolarHBondContact O-CB 3.18Å; L51-P158 HydrophobicContact CD1-CB 4.18Å; L51-P158 HydrophobicContact CD1-CG 3.8Å; L51-P158 HydrophobicContact CD2-CB 4.24Å; L51-P158 HydrophobicContact CD2-CG 4.31Å; L51-P158 HydrophobicContact CG-CB 3.89Å; L51-P158 HydrophobicContact CG-CG 4.03Å; L118-P158 VanDerWaalsContact O-CD 3.29Å; L118-P158 WeakPolarHBondContact O-CD 3.13Å; L118-P158 WeakPolarHBondContact O-CG 3.32Å; L119-P158 CarbonylContact C-O 3.52Å; L119-P158 WeakPolarHBondContact CA-O 3.46Å; L119-P158 HydrophobicContact CD2-CB 4.27Å; L119-P158 HydrophobicContact CD2-CG 4.09Å; R120-P158 PolarHBondContact N-O 2.77Å
159	I	98.8	Very high	98.7	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.015	9%	0.094	C	C	.	.			trans	-111.2	-17.4	-169.6	73.9	174	0	0	0	113.2	I49 R120 I184 I187 L199 I202	I49-I159 HydrophobicContact CD1-CD1 4.39Å; I49-I159 HydrophobicContact CD1-CG1 4.37Å; I49-I159 HydrophobicContact CD1-CG2 4.02Å; I49-I159 HydrophobicContact CG1-CG1 4.21Å; I49-I159 HydrophobicContact CG1-CG2 4.07Å; I49-I159 PolarHBondContact O-N 2.86Å; R120-I159 HydrophobicContact CB-CG2 4.41Å; I159-I184 HydrophobicContact CD1-CG2 3.87Å; I159-I184 HydrophobicContact CG1-CG2 3.77Å; I159-I187 HydrophobicContact CD1-CD1 3.54Å; I159-L199 HydrophobicContact CB-CD1 4.23Å; I159-L199 HydrophobicContact CD1-CD1 3.69Å; I159-L199 HydrophobicContact CG2-CD1 3.66Å; I159-I202 HydrophobicContact CB-CG2 4.37Å; I159-I202 HydrophobicContact CD1-CG2 4.35Å; I159-I202 HydrophobicContact CG1-CG2 4.31Å; I159-I202 WeakPolarHBondContact O-CG2 3.37Å
160	A	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.2	177.2	0	0	0	0	0	110.4	L50 L51 F168 C169 C170 I184	L50-A160 WeakPolarHBondContact CA-O 3.46Å; L50-A160 HydrophobicContact CD1-CB 3.63Å; L51-A160 PolarHBondContact N-O 3.32Å; A160-F168 HydrophobicContact CB-CE2 3.9Å; A160-F168 HydrophobicContact CB-CZ 3.97Å; A160-C169 CarbonylContact C-O 3.39Å; A160-C169 WeakPolarHBondContact CA-O 3.23Å; A160-C169 WeakPolarHBondContact CB-O 3.41Å; A160-C170 HydrophobicContact CB-CB 4.46Å; A160-I184 HydrophobicContact CB-CD1 4.3Å
161	A	98.9	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.3	169.3	0	0	0	0	0	110.3	L51 L53 L86 L119 C169	L51-A161 HydrophobicContact CB-CB 3.82Å; L51-A161 HydrophobicContact CD1-CB 4.48Å; L51-A161 CarbonylContact O-C 3.59Å; L51-A161 VanDerWaalsContact O-CA 3.24Å; L51-A161 WeakPolarHBondContact O-CA 3.24Å; L53-A161 HydrophobicContact CD1-CB 3.89Å; L53-A161 HydrophobicContact CG-CB 4.32Å; L86-A161 HydrophobicContact CD1-CB 4.2Å; L86-A161 HydrophobicContact CD2-CB 3.94Å; L119-A161 HydrophobicContact CD1-CB 4.47Å; L119-A161 HydrophobicContact CD2-CB 4.24Å; A161-C169 HydrophobicContact CB-CB 4.14Å; A161-C169 PolarHBondContact N-O 2.98Å; A161-C169 PolarHBondContact O-N 2.99Å
162	I	98.8	Very high	98.7	Very high	6 Å²	6	14.8 Å²	14.8	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.2	168.4	-64.4	167.3	0	0	0	107.1	L50 L51 L53 S165 I167 F168 M181 M239	L50-I162 HydrophobicContact CD1-CD1 4.11Å; L50-I162 HydrophobicContact CD1-CG1 4.09Å; L50-I162 HydrophobicContact CD2-CD1 3.97Å; L50-I162 HydrophobicContact CG-CD1 4.28Å; L51-I162 PolarHBondContact O-N 3.35Å; L53-I162 PolarHBondContact N-O 3.43Å; I162-S165 VanDerWaalsContact CG2-CA 3.44Å; I162-I167 CarbonylContact C-O 3.6Å; I162-I167 VanDerWaalsContact CA-O 3.29Å; I162-I167 WeakPolarHBondContact CA-O 3.5Å; I162-F168 HydrophobicContact CG1-CD2 4.1Å; I162-M181 HydrophobicContact CD1-CG 4.24Å; I162-M181 HydrophobicContact CD1-SD 4.27Å; I162-M239 HydrophobicContact CD1-CE 3.62Å; I162-M239 HydrophobicContact CG1-CE 3.93Å; I162-M239 HydrophobicContact CG2-CE 4.16Å
163	V	98.7	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.9	176.4	-177.3	0	0	0	0	109.1	L53 A55 L57 I59 S165 K166 I167 L287	L53-V163 HydrophobicContact CB-CG2 4.4Å; L53-V163 WeakPolarHBondContact O-CA 3.09Å; A55-V163 HydrophobicContact CB-CG1 4.47Å; L57-V163 HydrophobicContact CD1-CG2 3.98Å; L57-V163 HydrophobicContact CD2-CB 4.43Å; L57-V163 HydrophobicContact CD2-CG1 3.45Å; L57-V163 VanDerWaalsContact CD2-CG1 3.45Å; L57-V163 HydrophobicContact CD2-CG2 4.1Å; I59-V163 HydrophobicContact CD1-CG2 4.36Å; V163-S165 PolarHBondContact O-N 2.71Å; V163-K166 PolarHBondContact O-N 3.33Å; V163-I167 HydrophobicContact CB-CB 4.1Å; V163-I167 PolarHBondContact N-O 3.21Å; V163-I167 PolarHBondContact O-N 2.58Å; V163-I167 VanDerWaalsContact O-N 3.07Å; V163-L287 HydrophobicContact CG1-CD2 4.43Å
164	D	98.2	Very high	98.7	Very high	58 Å²	58	10.7 Å²	10.7	31%	0.31	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	36.9	179.5	-65.9	-67.5	0	0	0	113.6	L53 A55 K166 L287	L53-D164 PolarHBondContact O-N 3.42Å; A55-D164 VanDerWaalsContact CB-OD2 3.24Å; A55-D164 WeakPolarHBondContact CB-OD2 3.41Å; A55-D164 PolarHBondContact N-OD2 2.82Å; D164-K166 WeakPolarHBondContact O-CG 3.42Å; D164-K166 PolarHBondContact O-N 2.99Å; D164-L287 HydrophobicContact CB-CD1 4.04Å; D164-L287 HydrophobicContact CB-CD2 3.9Å; D164-L287 HydrophobicContact CB-CG 4.36Å
165	S	97.6	Very high	98.7	Very high	81 Å²	81	10.8 Å²	10.8	57%	0.566	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	7.6	-176.5	-54.9	0	0	0	0	115.8	I162 V163	I162-S165 VanDerWaalsContact CG2-CA 3.44Å; V163-S165 PolarHBondContact O-N 2.71Å
166	K	98.4	Very high	98.7	Very high	47 Å²	47	11.5 Å²	11.5	20%	0.204	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-27.2	-172.7	-69.7	-50.3	-165	172.2	0	115.2	V163 D164 D238 D240 L241 L287	V163-K166 PolarHBondContact O-N 3.33Å; D164-K166 WeakPolarHBondContact O-CG 3.42Å; D164-K166 PolarHBondContact O-N 2.99Å; K166-D238 WeakPolarHBondContact CD-O 3.33Å; K166-D238 PolarHBondContact NZ-O 3.37Å; K166-D238 IonicContact NZ-OD1 3.43Å; K166-D238 PolarHBondContact NZ-OD1 2.75Å; K166-D238 IonicContact NZ-OD2 3.95Å; K166-D238 PolarHBondContact NZ-OD2 3Å; K166-D240 VanDerWaalsContact CD-OD2 3.26Å; K166-D240 WeakPolarHBondContact CD-OD2 3.08Å; K166-D240 WeakPolarHBondContact CG-OD2 3.25Å; K166-D240 IonicContact NZ-OD1 3.85Å; K166-D240 PolarHBondContact O-N 2.88Å; K166-L241 PolarHBondContact O-N 2.93Å; K166-L287 HydrophobicContact CB-CD1 3.84Å; K166-L287 HydrophobicContact CG-CD1 3.87Å
167	I	98.8	Very high	98.6	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.8	-179.6	-46.7	176.4	0	0	0	109.6	I162 V163 L241 C243 V283 L287	I162-I167 CarbonylContact C-O 3.6Å; I162-I167 VanDerWaalsContact CA-O 3.29Å; I162-I167 WeakPolarHBondContact CA-O 3.5Å; V163-I167 HydrophobicContact CB-CB 4.1Å; V163-I167 PolarHBondContact N-O 3.21Å; V163-I167 PolarHBondContact O-N 2.58Å; V163-I167 VanDerWaalsContact O-N 3.07Å; I167-L241 CarbonylContact C-O 3.48Å; I167-L241 WeakPolarHBondContact CA-O 3.37Å; I167-L241 HydrophobicContact CD1-CD2 4.45Å; I167-L241 HydrophobicContact CG1-CB 4.33Å; I167-L241 HydrophobicContact CG2-CB 4.15Å; I167-L241 HydrophobicContact CG2-CD2 4.01Å; I167-L241 HydrophobicContact CG2-CG 4.1Å; I167-C243 HydrophobicContact CG2-CB 3.88Å; I167-V283 HydrophobicContact CD1-CG1 3.98Å; I167-V283 HydrophobicContact CD1-CG2 4.08Å; I167-L287 HydrophobicContact CD1-CD2 4.37Å
168	F	98.8	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.1	172.3	-179.8	-102.9	0	0	0	110.3	L50 A160 I162 C170 L174 L178 M181 I184 I202 F233 M239 L241 I242 C243	L50-F168 HydrophobicContact CD1-CE2 4.49Å; A160-F168 HydrophobicContact CB-CE2 3.9Å; A160-F168 HydrophobicContact CB-CZ 3.97Å; I162-F168 HydrophobicContact CG1-CD2 4.1Å; F168-C170 HydrophobicContact CE1-CB 4.01Å; F168-C170 HydrophobicContact CZ-CB 4.34Å; F168-L174 HydrophobicContact CD1-CD2 4.5Å; F168-L174 HydrophobicContact CE1-CD2 4.33Å; F168-L178 HydrophobicContact CZ-CD2 4.35Å; F168-M181 HydrophobicContact CD2-CE 4.31Å; F168-M181 HydrophobicContact CD2-SD 4.27Å; F168-M181 HydrophobicContact CE2-CE 4.26Å; F168-M181 HydrophobicContact CE2-SD 3.95Å; F168-I184 HydrophobicContact CE2-CD1 3.98Å; F168-I184 HydrophobicContact CZ-CD1 4Å; F168-I202 HydrophobicContact CZ-CD1 4.21Å; F168-F233 HydrophobicContact CB-CE1 4.13Å; F168-F233 HydrophobicContact CB-CZ 4.44Å; F168-F233 HydrophobicContact CD1-CE1 4.14Å; F168-F233 HydrophobicContact CD1-CZ 4.01Å; F168-F233 HydrophobicContact CD2-CZ 4.24Å; F168-F233 HydrophobicContact CE1-CZ 4.32Å; F168-F233 HydrophobicContact CG-CE1 4.1Å; F168-F233 AromaticContact CG-CZ 3.97Å; F168-F233 HydrophobicContact CG-CZ 3.97Å; F168-M239 HydrophobicContact CB-SD 3.75Å; F168-L241 PolarHBondContact N-O 3.41Å; F168-I242 HydrophobicContact CD1-CG2 4.38Å; F168-I242 CarbonylContact O-C 3.44Å; F168-I242 WeakPolarHBondContact O-CA 3.5Å; F168-C243 PolarHBondContact O-N 3.22Å
169	C	98.9	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.8	-176.7	-60.1	0	0	0	0	111	L86 L88 L119 A160 A161 C243	L86-C169 HydrophobicContact CD2-CB 3.8Å; L88-C169 HydrophobicContact CD2-CB 3.89Å; L119-C169 HydrophobicContact CD1-CB 4.31Å; A160-C169 CarbonylContact C-O 3.39Å; A160-C169 WeakPolarHBondContact CA-O 3.23Å; A160-C169 WeakPolarHBondContact CB-O 3.41Å; A161-C169 HydrophobicContact CB-CB 4.14Å; A161-C169 PolarHBondContact N-O 2.98Å; A161-C169 PolarHBondContact O-N 2.99Å; C169-C243 VanDerWaalsContact CA-O 3.24Å; C169-C243 WeakPolarHBondContact CA-O 3.12Å
170	C	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	175.6	172.4	60.1	0	0	0	0	110.1	A160 F168 I202 C243 R244	A160-C170 HydrophobicContact CB-CB 4.46Å; F168-C170 HydrophobicContact CE1-CB 4.01Å; F168-C170 HydrophobicContact CZ-CB 4.34Å; C170-I202 HydrophobicContact CB-CG2 3.85Å; C170-C243 PolarHBondContact N-O 2.97Å; C170-R244 VanDerWaalsContact O-CA 3.25Å; C170-R244 WeakPolarHBondContact O-CA 3.46Å
171	H	98.9	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-78.8	-61.9	178.4	-175.8	66.1	0	0	0	112.2	D62 L88 D90 R120 G121 N122 L203 R244 A245 H246	D62-H171 IonicContact OD1-CE1 3.33Å; D62-H171 PolarHBondContact OD1-CE1 3.43Å; D62-H171 VanDerWaalsContact OD1-CE1 3.3Å; D62-H171 IonicContact OD1-ND1 3.3Å; D62-H171 IonicContact OD2-CE1 2.69Å; L88-H171 WeakPolarHBondContact O-CA 3.2Å; L88-H171 WeakPolarHBondContact O-CB 3.34Å; L88-H171 VanDerWaalsContact O-CG 3.29Å; L88-H171 PolarHBondContact O-ND1 3.05Å; D90-H171 VanDerWaalsContact CG-NE2 3.33Å; D90-H171 IonicContact OD1-CE1 3.91Å; D90-H171 IonicContact OD1-NE2 2.74Å; D90-H171 PolarHBondContact OD1-NE2 2.9Å; D90-H171 IonicContact OD2-CE1 3.44Å; D90-H171 PolarHBondContact OD2-CE1 3.41Å; D90-H171 IonicContact OD2-NE2 2.77Å; D90-H171 PolarHBondContact OD2-NE2 3.14Å; R120-H171 WeakPolarHBondContact O-CB 3.35Å; G121-H171 VanDerWaalsContact CA-CG 3.45Å; N122-H171 PolarHBondContact N-CD2 2.85Å; N122-H171 PolarHBondContact OD1-CD2 3.42Å; N122-H171 PolarHBondContact OD1-NE2 3.07Å; H171-L203 HydrophobicContact CB-CD2 3.98Å; H171-L203 PolarHBondContact CD2-O 3.04Å; H171-R244 PolarHBondContact O-NE 2.88Å; H171-A245 CarbonylContact O-C 3.6Å; H171-A245 PolarHBondContact O-N 3.33Å; H171-H246 AromaticContact CD2-CG 3.94Å; H171-H246 AromaticContact CD2-ND1 3.61Å; H171-H246 WeakPolarHBondContact NE2-CB 3.42Å; H171-H246 AromaticContact NE2-CG 3.57Å; H171-H246 AromaticContact NE2-ND1 3.08Å; H171-H246 PolarHBondContact NE2-ND1 3.09Å; H171-H246 WeakPolarHBondContact O-CB 3.49Å
172	G	98.8	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-80.5	-85.6	-178	0	0	0	0	0	110.9	I202 S205 R244	G172-I202 WeakPolarHBondContact CA-O 3.4Å; G172-I202 PolarHBondContact N-O 3.49Å; G172-S205 CarbonylContact C-O 3.58Å; G172-S205 WeakPolarHBondContact CA-O 3.44Å; G172-R244 WeakPolarHBondContact O-CB 3.37Å; G172-R244 VanDerWaalsContact O-CZ 3.25Å; G172-R244 PolarHBondContact O-NE 3.24Å; G172-R244 PolarHBondContact O-NH2 3.17Å
173	G	98.7	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.			trans	-178.3	-142.7	-177.4	0	0	0	0	0	113.8	I202 S205	G173-I202 PolarHBondContact N-O 3.21Å; G173-I202 WeakPolarHBondContact O-CD1 3.18Å; G173-S205 WeakPolarHBondContact CA-OG 3.38Å; G173-S205 PolarHBondContact N-O 3.36Å; G173-S205 PolarHBondContact N-OG 2.8Å
174	L	98.7	Very high	98.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.158	C	C	.	.			trans	-83.7	165.1	-177.3	-61	-178.5	0	0	0	111.7	F168 S205 W214 F225 V229 V230 F233 I242	F168-L174 HydrophobicContact CD1-CD2 4.5Å; F168-L174 HydrophobicContact CE1-CD2 4.33Å; L174-S205 PolarHBondContact N-OG 2.96Å; L174-S205 VanDerWaalsContact N-OG 3.09Å; L174-S205 VanDerWaalsContact O-CB 3.3Å; L174-S205 WeakPolarHBondContact O-CB 3.24Å; L174-S205 PolarHBondContact O-OG 3.13Å; L174-W214 HydrophobicContact CB-CH2 3.67Å; L174-W214 HydrophobicContact CB-CZ3 4.46Å; L174-F225 HydrophobicContact CB-CD1 4.34Å; L174-F225 HydrophobicContact CB-CD2 4.5Å; L174-F225 HydrophobicContact CB-CE1 4.34Å; L174-F225 HydrophobicContact CB-CE2 4.49Å; L174-F225 HydrophobicContact CB-CG 4.43Å; L174-F225 HydrophobicContact CB-CZ 4.42Å; L174-F225 HydrophobicContact CD1-CD2 4.23Å; L174-F225 HydrophobicContact CD1-CE2 4.23Å; L174-F225 HydrophobicContact CG-CD2 4.49Å; L174-F225 HydrophobicContact CG-CE2 4.19Å; L174-F225 HydrophobicContact CG-CZ 4.34Å; L174-V229 HydrophobicContact CD1-CG1 3.9Å; L174-V230 HydrophobicContact CD1-CG2 4.43Å; L174-F233 HydrophobicContact CD1-CB 3.8Å; L174-F233 HydrophobicContact CD1-CD1 4.35Å; L174-F233 HydrophobicContact CD1-CD2 4.41Å; L174-F233 HydrophobicContact CD1-CG 3.94Å; L174-F233 HydrophobicContact CD2-CD1 3.85Å; L174-F233 HydrophobicContact CD2-CD2 3.75Å; L174-F233 HydrophobicContact CD2-CE1 3.87Å; L174-F233 HydrophobicContact CD2-CE2 3.77Å; L174-F233 HydrophobicContact CD2-CG 3.78Å; L174-F233 HydrophobicContact CD2-CZ 3.81Å; L174-I242 HydrophobicContact CD1-CD1 3.74Å; L174-I242 HydrophobicContact CD2-CD1 3.79Å; L174-I242 HydrophobicContact CG-CD1 3.92Å
175	S	98.7	Very high	98.3	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.028	16%	0.162	C	C	.	.			trans	-126.2	142.1	173.3	177.2	0	0	0	0	110.9	D177 L178 D201 W214	S175-D177 PolarHBondContact O-N 2.74Å; S175-D177 WeakPolarHBondContact OG-CB 3.2Å; S175-D177 PolarHBondContact OG-N 3.08Å; S175-L178 PolarHBondContact O-N 2.81Å; S175-L178 VanDerWaalsContact O-N 3.09Å; S175-D201 VanDerWaalsContact CB-CB 3.45Å; S175-D201 WeakPolarHBondContact CB-OD2 3.32Å; S175-D201 PolarHBondContact OG-OD2 2.75Å; S175-W214 VanDerWaalsContact C-CZ2 3.42Å
176	P	98	Very high	98.3	Very high	35 Å²	35	36.8 Å²	36.8	23%	0.227	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24	168.1	26.9	-34.2	0	0	0	111.9	L178 Q179 W214 F223	P176-L178 VanDerWaalsContact C-N 3.34Å; P176-Q179 PolarHBondContact O-NE2 2.98Å; P176-W214 HydrophobicContact CB-CD2 4.06Å; P176-W214 HydrophobicContact CB-CG 4.41Å; P176-W214 HydrophobicContact CB-CZ2 4.11Å; P176-W214 HydrophobicContact CG-CD2 4.41Å; P176-W214 HydrophobicContact CG-CE3 4.46Å; P176-W214 VanDerWaalsContact N-CH2 3.29Å; P176-W214 VanDerWaalsContact N-CZ2 3.3Å; P176-F223 HydrophobicContact CG-CD2 3.84Å; P176-F223 HydrophobicContact CG-CE2 3.69Å; P176-F223 HydrophobicContact CG-CZ 4.3Å
177	D	97.8	Very high	98.3	Very high	79 Å²	79	36.1 Å²	36.1	42%	0.422	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.1	177.1	-65.8	-19	0	0	0	112.7	S175 Q179 Q183 G197 L198	S175-D177 PolarHBondContact O-N 2.74Å; S175-D177 WeakPolarHBondContact OG-CB 3.2Å; S175-D177 PolarHBondContact OG-N 3.08Å; D177-Q179 PolarHBondContact O-N 3.11Å; D177-Q183 PolarHBondContact O-NE2 3.46Å; D177-Q183 PolarHBondContact O-OE1 3.3Å; D177-G197 WeakPolarHBondContact OD2-CA 3.22Å; D177-L198 HydrophobicContact CB-CB 4.22Å
178	L	98.2	Very high	98.2	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	20%	0.203	C	C	.	.			trans	-82.7	98.1	-179.9	-174.6	60.7	0	0	0	111.4	F168 S175 P176 N180 M181 I184 L198 I202 F233	F168-L178 HydrophobicContact CZ-CD2 4.35Å; S175-L178 PolarHBondContact O-N 2.81Å; S175-L178 VanDerWaalsContact O-N 3.09Å; P176-L178 VanDerWaalsContact C-N 3.34Å; L178-N180 WeakPolarHBondContact CD1-O 3.46Å; L178-M181 HydrophobicContact CD2-CE 4.26Å; L178-I184 HydrophobicContact CD1-CD1 3.94Å; L178-I184 HydrophobicContact CD1-CG1 3.88Å; L178-I184 HydrophobicContact CD2-CD1 4.17Å; L178-L198 HydrophobicContact CB-CD1 3.75Å; L178-L198 HydrophobicContact CD1-CD1 4.11Å; L178-L198 HydrophobicContact CG-CD1 4.41Å; L178-I202 HydrophobicContact CD2-CD1 4.1Å; L178-F233 HydrophobicContact CD2-CE2 3.61Å; L178-F233 HydrophobicContact CD2-CZ 4.27Å; L178-F233 HydrophobicContact CG-CE2 4.26Å
179	Q	96.7	Very high	98.2	Very high	93 Å²	93	45.4 Å²	45.4	44%	0.435	21%	0.211	S	C	.	.	S	Bend	trans	-104.3	-31.6	175.1	-56	-56.8	-44.2	0	0	112.4	P176 D177 H237	P176-Q179 PolarHBondContact O-NE2 2.98Å; D177-Q179 PolarHBondContact O-N 3.11Å; Q179-H237 PolarHBondContact O-CE1 3.08Å
180	N	95.8	Very high	98.2	Very high	64 Å²	64	48.9 Å²	48.9	34%	0.342	23%	0.234	S	C	.	.	S	Bend	trans	-145.8	150.4	177.7	65.1	83.1	0	0	0	111.7	L178 D182 Q183	L178-N180 WeakPolarHBondContact CD1-O 3.46Å; N180-D182 PolarHBondContact O-N 3.02Å; N180-D182 WeakPolarHBondContact OD1-CB 3.16Å; N180-D182 PolarHBondContact OD1-N 3.08Å; N180-Q183 PolarHBondContact ND2-OE1 2.91Å; N180-Q183 WeakPolarHBondContact O-CB 3.36Å; N180-Q183 PolarHBondContact O-N 3.24Å; N180-Q183 VanDerWaalsContact O-N 3.09Å; N180-Q183 PolarHBondContact O-OE1 3.15Å; N180-Q183 PolarHBondContact OD1-N 2.59Å
181	M	98.2	Very high	98.1	Very high	15 Å²	15	50.9 Å²	50.9	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-22.4	-177.6	-66.2	-57.4	144.1	0	0	113.6	L50 I162 F168 L178 Q183 I184 R185 F233 M239	L50-M181 HydrophobicContact CD2-CB 3.85Å; L50-M181 HydrophobicContact CD2-CG 4.38Å; L50-M181 HydrophobicContact CD2-SD 4.33Å; I162-M181 HydrophobicContact CD1-CG 4.24Å; I162-M181 HydrophobicContact CD1-SD 4.27Å; F168-M181 HydrophobicContact CD2-CE 4.31Å; F168-M181 HydrophobicContact CD2-SD 4.27Å; F168-M181 HydrophobicContact CE2-CE 4.26Å; F168-M181 HydrophobicContact CE2-SD 3.95Å; L178-M181 HydrophobicContact CD2-CE 4.26Å; M181-Q183 PolarHBondContact O-N 3.36Å; M181-I184 WeakPolarHBondContact O-CB 3.21Å; M181-I184 PolarHBondContact O-N 2.92Å; M181-I184 VanDerWaalsContact O-N 3.09Å; M181-I184 HydrophobicContact SD-CD1 4.19Å; M181-R185 PolarHBondContact O-N 3.16Å; M181-R185 VanDerWaalsContact O-N 3.15Å; M181-F233 HydrophobicContact CE-CE2 3.52Å; M181-F233 HydrophobicContact CE-CZ 3.38Å; M181-M239 HydrophobicContact CE-CE 4.3Å
182	D	98.2	Very high	98.1	Very high	72 Å²	72	54.9 Å²	54.9	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-21.8	176.1	-64.1	-24.6	0	0	0	112.4	N180 I184 R185 R186	N180-D182 PolarHBondContact O-N 3.02Å; N180-D182 WeakPolarHBondContact OD1-CB 3.16Å; N180-D182 PolarHBondContact OD1-N 3.08Å; D182-I184 VanDerWaalsContact C-N 3.3Å; D182-I184 PolarHBondContact O-N 3.25Å; D182-R185 PolarHBondContact O-N 3.18Å; D182-R185 IonicContact OD1-CZ 3.45Å; D182-R185 IonicContact OD1-NH1 3.29Å; D182-R185 PolarHBondContact OD1-NH1 2.77Å; D182-R186 WeakPolarHBondContact O-CB 3.24Å; D182-R186 WeakPolarHBondContact O-CG 3.07Å; D182-R186 PolarHBondContact O-N 3.4Å
183	Q	98.4	Very high	98	Very high	59 Å²	59	55.6 Å²	55.6	28%	0.276	27%	0.273	S	S	.	.	H	α-helix	trans	-62.5	-39.9	171.5	-66.8	173.6	-87.7	0	0	111.3	D177 N180 M181 L198	D177-Q183 PolarHBondContact O-NE2 3.46Å; D177-Q183 PolarHBondContact O-OE1 3.3Å; N180-Q183 PolarHBondContact ND2-OE1 2.91Å; N180-Q183 WeakPolarHBondContact O-CB 3.36Å; N180-Q183 PolarHBondContact O-N 3.24Å; N180-Q183 VanDerWaalsContact O-N 3.09Å; N180-Q183 PolarHBondContact O-OE1 3.15Å; N180-Q183 PolarHBondContact OD1-N 2.59Å; M181-Q183 PolarHBondContact O-N 3.36Å; Q183-L198 HydrophobicContact CB-CD2 3.67Å
184	I	98.6	Very high	97.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.1	-48.1	173.1	-63.2	176	0	0	0	109.7	I49 L50 I159 A160 F168 L178 M181 D182 R186 I187 L198 I202	I49-I184 HydrophobicContact CG2-CG2 4.45Å; I49-I184 WeakPolarHBondContact CG2-O 3.41Å; L50-I184 HydrophobicContact CB-CG2 3.82Å; L50-I184 HydrophobicContact CD1-CG2 4.33Å; L50-I184 HydrophobicContact CG-CG2 4.49Å; I159-I184 HydrophobicContact CD1-CG2 3.87Å; I159-I184 HydrophobicContact CG1-CG2 3.77Å; A160-I184 HydrophobicContact CB-CD1 4.3Å; F168-I184 HydrophobicContact CE2-CD1 3.98Å; F168-I184 HydrophobicContact CZ-CD1 4Å; L178-I184 HydrophobicContact CD1-CD1 3.94Å; L178-I184 HydrophobicContact CD1-CG1 3.88Å; L178-I184 HydrophobicContact CD2-CD1 4.17Å; M181-I184 WeakPolarHBondContact O-CB 3.21Å; M181-I184 PolarHBondContact O-N 2.92Å; M181-I184 VanDerWaalsContact O-N 3.09Å; M181-I184 HydrophobicContact SD-CD1 4.19Å; D182-I184 VanDerWaalsContact C-N 3.3Å; D182-I184 PolarHBondContact O-N 3.25Å; I184-R186 PolarHBondContact O-N 3.48Å; I184-R186 VanDerWaalsContact O-N 3.14Å; I184-I187 WeakPolarHBondContact O-CB 3.43Å; I184-I187 PolarHBondContact O-N 3Å; I184-I187 VanDerWaalsContact O-N 3.08Å; I184-L198 HydrophobicContact CG1-CD2 4.36Å; I184-I202 HydrophobicContact CD1-CD1 4.32Å
185	R	98.5	Very high	97.7	Very high	108 Å²	108	65.2 Å²	65.2	41%	0.408	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-28	-177.6	-63.7	-176.9	-176.8	105.3	4.8	113.8	L50 E52 M181 D182	L50-R185 HydrophobicContact CB-CG 4.04Å; L50-R185 HydrophobicContact CD2-CG 3.96Å; E52-R185 IonicContact OE1-CZ 3.3Å; E52-R185 IonicContact OE1-NH2 2.79Å; E52-R185 PolarHBondContact OE1-NH2 2.99Å; M181-R185 PolarHBondContact O-N 3.16Å; M181-R185 VanDerWaalsContact O-N 3.15Å; D182-R185 PolarHBondContact O-N 3.18Å; D182-R185 IonicContact OD1-CZ 3.45Å; D182-R185 IonicContact OD1-NH1 3.29Å; D182-R185 PolarHBondContact OD1-NH1 2.77Å
186	R	98.1	Very high	97.7	Very high	188 Å²	188	70.3 Å²	70.3	71%	0.709	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.4	-179.7	-71.9	172.1	-168.6	-173.9	6.3	114.3	D182 I184 M188	D182-R186 WeakPolarHBondContact O-CB 3.24Å; D182-R186 WeakPolarHBondContact O-CG 3.07Å; D182-R186 PolarHBondContact O-N 3.4Å; I184-R186 PolarHBondContact O-N 3.48Å; I184-R186 VanDerWaalsContact O-N 3.14Å; R186-M188 PolarHBondContact O-N 3.43Å
187	I	98.2	Very high	97.6	Very high	34 Å²	34	69.5 Å²	69.5	17%	0.174	36%	0.357	C	S	.	.			trans	-66.5	121.3	175.2	-66.6	166.9	0	0	0	108.4	I49 I159 I184 L198 L199	I49-I187 HydrophobicContact CD1-CB 3.74Å; I49-I187 HydrophobicContact CD1-CG2 3.58Å; I159-I187 HydrophobicContact CD1-CD1 3.54Å; I184-I187 WeakPolarHBondContact O-CB 3.43Å; I184-I187 PolarHBondContact O-N 3Å; I184-I187 VanDerWaalsContact O-N 3.08Å; I187-L198 HydrophobicContact CD1-CD2 4.13Å; I187-L198 HydrophobicContact CD1-CG 4.36Å; I187-L199 HydrophobicContact CD1-CB 4.36Å; I187-L199 HydrophobicContact CG2-CD2 4.49Å
188	M	98.1	Very high	97.7	Very high	152 Å²	152	66.9 Å²	66.9	75%	0.749	34%	0.342	S	S	*	.			trans	-80.2	145	-178.7	-65.7	-60.5	-65.5	0	0	111.1	R186 S191	R186-M188 PolarHBondContact O-N 3.43Å; M188-S191 WeakPolarHBondContact O-CB 3.29Å
189	R	98.6	Very high	97.7	Very high	44 Å²	44	67.2 Å²	67.2	17%	0.166	34%	0.344	C	S	.	.	S	Bend	trans	-121.1	145.4	174.2	-69.7	176.8	-65.9	160.5	6.2	110.4	F44 L45 Q47 I49 C156 L157	F44-R189 VanDerWaalsContact O-CZ 3.28Å; F44-R189 PolarHBondContact O-NH1 2.85Å; F44-R189 PolarHBondContact O-NH2 3.04Å; F44-R189 VanDerWaalsContact O-NH2 3.1Å; L45-R189 HydrophobicContact CD2-CB 3.69Å; Q47-R189 PolarHBondContact O-NH2 3.05Å; I49-R189 HydrophobicContact CD1-CG 3.8Å; I49-R189 HydrophobicContact CG1-CG 4.35Å; C156-R189 VanDerWaalsContact O-CD 3.27Å; C156-R189 WeakPolarHBondContact O-CD 3.32Å; C156-R189 PolarHBondContact O-NH1 2.85Å; L157-R189 WeakPolarHBondContact O-CD 3.33Å
190	P	98.4	Very high	97.8	Very high	73 Å²	73	62.8 Å²	62.8	47%	0.474	32%	0.324	S	S	.	.	S	Bend	cis	-69.9	144.2	-0.6	28.5	-34.6	0	0	0	113.1	N155	N155-P190 HydrophobicContact CB-CB 3.79Å; N155-P190 VanDerWaalsContact O-CA 3.25Å; N155-P190 WeakPolarHBondContact O-CA 3.35Å
191	S	97	Very high	97.9	Very high	42 Å²	42	59.8 Å²	59.8	29%	0.294	31%	0.307	S	S	.	.			trans	-138.2	144.1	171.9	-175.9	0	0	0	0	110.4	R120 N155 M188	R120-S191 PolarHBondContact NH1-O 3.44Å; N155-S191 WeakPolarHBondContact CA-O 3.42Å; N155-S191 WeakPolarHBondContact CB-O 3.31Å; N155-S191 PolarHBondContact O-N 3.41Å; N155-S191 PolarHBondContact OD1-O 3.21Å; M188-S191 WeakPolarHBondContact O-CB 3.29Å
192	D	97.5	Very high	97.9	Very high	83 Å²	83	59.1 Å²	59.1	44%	0.444	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-75.8	166.4	163.1	-152.5	-3.5	0	0	0	110.1	P194 L199	D192-P194 WeakPolarHBondContact O-CD 3.49Å; D192-L199 WeakPolarHBondContact O-CD2 3.42Å
193	I	97.5	Very high	97.9	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.082	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-82.5	118.6	172.3	-55	178.9	0	0	0	107.8	C125 L203	C125-I193 HydrophobicContact CB-CB 4.31Å; C125-I193 HydrophobicContact CB-CD1 3.55Å; C125-I193 HydrophobicContact CB-CG1 3.82Å; I193-L203 HydrophobicContact CD1-CD1 3.41Å; I193-L203 VanDerWaalsContact CD1-CD1 3.41Å; I193-L203 HydrophobicContact CG1-CD1 3.82Å; I193-L203 HydrophobicContact CG2-CD1 4.36Å
194	P	97.3	Very high	97.9	Very high	58 Å²	58	54.5 Å²	54.5	38%	0.377	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-70.2	160.7	175.2	31.5	-36	0	0	0	111.1	D192 T196 L199 C200	D192-P194 WeakPolarHBondContact O-CD 3.49Å; P194-T196 WeakPolarHBondContact CG-O 3.4Å; P194-T196 PolarHBondContact O-N 2.83Å; P194-L199 HydrophobicContact CG-CB 4.16Å; P194-C200 HydrophobicContact CG-CB 4.47Å; P194-C200 VanDerWaalsContact O-CB 3.32Å; P194-C200 WeakPolarHBondContact O-CB 3.39Å
195	D	94.7	Very high	97.9	Very high	145 Å²	145	54.5 Å²	54.5	78%	0.775	28%	0.279	S	S	*	.	S	Bend	trans	-68.2	-23.1	177.6	-60.2	-31.5	0	0	0	112.6	C200	D195-C200 PolarHBondContact O-SG 2.93Å; D195-C200 VanDerWaalsContact O-SG 3.33Å
196	T	96.9	Very high	98	Very high	111 Å²	111	49.6 Å²	49.6	68%	0.681	26%	0.26	S	S	*	.	S	Bend	trans	-144.4	167.5	-179.7	62.9	0	0	0	0	112.8	P194	P194-T196 WeakPolarHBondContact CG-O 3.4Å; P194-T196 PolarHBondContact O-N 2.83Å
197	G	97.5	Very high	98	Very high	19 Å²	19	41.3 Å²	41.3	20%	0.196	23%	0.231	C	C	.	.	S	Bend	trans	89.1	-176.8	173.7	0	0	0	0	0	113.8	D177 L199 C200 D201	D177-G197 WeakPolarHBondContact OD2-CA 3.22Å; G197-L199 PolarHBondContact O-N 3.03Å; G197-L199 VanDerWaalsContact O-N 3.12Å; G197-C200 WeakPolarHBondContact O-CA 3.38Å; G197-C200 VanDerWaalsContact O-CB 3.24Å; G197-C200 WeakPolarHBondContact O-CB 3.47Å; G197-C200 PolarHBondContact O-N 2.72Å; G197-D201 PolarHBondContact O-N 3.42Å
198	L	98.4	Very high	98	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-43.2	-52.7	-169.6	179.9	59.9	0	0	0	115.7	D177 L178 Q183 I184 I187 C200 D201 I202	D177-L198 HydrophobicContact CB-CB 4.22Å; L178-L198 HydrophobicContact CB-CD1 3.75Å; L178-L198 HydrophobicContact CD1-CD1 4.11Å; L178-L198 HydrophobicContact CG-CD1 4.41Å; Q183-L198 HydrophobicContact CB-CD2 3.67Å; I184-L198 HydrophobicContact CG1-CD2 4.36Å; I187-L198 HydrophobicContact CD1-CD2 4.13Å; I187-L198 HydrophobicContact CD1-CG 4.36Å; L198-C200 VanDerWaalsContact C-N 3.33Å; L198-C200 PolarHBondContact O-N 2.73Å; L198-D201 PolarHBondContact O-N 2.93Å; L198-I202 HydrophobicContact CD1-CD1 4.21Å; L198-I202 HydrophobicContact CD1-CG1 3.88Å; L198-I202 HydrophobicContact CG-CG1 4.45Å; L198-I202 VanDerWaalsContact O-CG1 3.25Å; L198-I202 WeakPolarHBondContact O-CG1 3.43Å; L198-I202 PolarHBondContact O-N 3.27Å
199	L	98.4	Very high	97.9	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-35.9	-178.2	176.7	57.7	0	0	0	112.3	I159 I187 D192 P194 G197 L203	I159-L199 HydrophobicContact CB-CD1 4.23Å; I159-L199 HydrophobicContact CD1-CD1 3.69Å; I159-L199 HydrophobicContact CG2-CD1 3.66Å; I187-L199 HydrophobicContact CD1-CB 4.36Å; I187-L199 HydrophobicContact CG2-CD2 4.49Å; D192-L199 WeakPolarHBondContact O-CD2 3.42Å; P194-L199 HydrophobicContact CG-CB 4.16Å; G197-L199 PolarHBondContact O-N 3.03Å; G197-L199 VanDerWaalsContact O-N 3.12Å; L199-L203 HydrophobicContact CD1-CD1 3.89Å; L199-L203 HydrophobicContact CD1-CG 4.43Å; L199-L203 WeakPolarHBondContact O-CG 3.27Å
200	C	98.5	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-52.2	173.2	-176.5	0	0	0	0	109.4	P194 D195 G197 L198 I202 L203 W204 V221	P194-C200 HydrophobicContact CG-CB 4.47Å; P194-C200 VanDerWaalsContact O-CB 3.32Å; P194-C200 WeakPolarHBondContact O-CB 3.39Å; D195-C200 PolarHBondContact O-SG 2.93Å; D195-C200 VanDerWaalsContact O-SG 3.33Å; G197-C200 WeakPolarHBondContact O-CA 3.38Å; G197-C200 VanDerWaalsContact O-CB 3.24Å; G197-C200 WeakPolarHBondContact O-CB 3.47Å; G197-C200 PolarHBondContact O-N 2.72Å; L198-C200 VanDerWaalsContact C-N 3.33Å; L198-C200 PolarHBondContact O-N 2.73Å; C200-I202 PolarHBondContact O-N 2.79Å; C200-L203 CarbonylContact O-C 3.51Å; C200-L203 WeakPolarHBondContact O-CA 3.24Å; C200-L203 PolarHBondContact O-N 3.19Å; C200-W204 WeakPolarHBondContact O-CB 3.37Å; C200-W204 VanDerWaalsContact O-CD1 3.26Å; C200-W204 PolarHBondContact O-N 3.03Å; C200-V221 WeakPolarHBondContact SG-CG2 3.46Å
201	D	98.6	Very high	97.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-40.6	-172.8	-59.4	-27.9	0	0	0	113.9	S175 G197 L198 L203 W204 S205 S222	S175-D201 VanDerWaalsContact CB-CB 3.45Å; S175-D201 WeakPolarHBondContact CB-OD2 3.32Å; S175-D201 PolarHBondContact OG-OD2 2.75Å; G197-D201 PolarHBondContact O-N 3.42Å; L198-D201 PolarHBondContact O-N 2.93Å; D201-L203 PolarHBondContact O-N 3.13Å; D201-W204 PolarHBondContact O-N 3.46Å; D201-S205 WeakPolarHBondContact O-CB 3.44Å; D201-S205 PolarHBondContact O-N 3.07Å; D201-S205 PolarHBondContact O-OG 3.01Å; D201-S222 VanDerWaalsContact CA-OG 3.25Å; D201-S222 WeakPolarHBondContact CA-OG 3.47Å; D201-S222 WeakPolarHBondContact CB-OG 3.48Å; D201-S222 WeakPolarHBondContact OD1-CB 3.38Å; D201-S222 PolarHBondContact OD1-OG 3.4Å
202	I	98.7	Very high	97.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.7	-25.3	175.1	-68.3	-60.8	0	0	0	112	I159 F168 C170 G172 G173 L178 I184 L198 C200	I159-I202 HydrophobicContact CB-CG2 4.37Å; I159-I202 HydrophobicContact CD1-CG2 4.35Å; I159-I202 HydrophobicContact CG1-CG2 4.31Å; I159-I202 WeakPolarHBondContact O-CG2 3.37Å; F168-I202 HydrophobicContact CZ-CD1 4.21Å; C170-I202 HydrophobicContact CB-CG2 3.85Å; G172-I202 WeakPolarHBondContact CA-O 3.4Å; G172-I202 PolarHBondContact N-O 3.49Å; G173-I202 PolarHBondContact N-O 3.21Å; G173-I202 WeakPolarHBondContact O-CD1 3.18Å; L178-I202 HydrophobicContact CD2-CD1 4.1Å; I184-I202 HydrophobicContact CD1-CD1 4.32Å; L198-I202 HydrophobicContact CD1-CD1 4.21Å; L198-I202 HydrophobicContact CD1-CG1 3.88Å; L198-I202 HydrophobicContact CG-CG1 4.45Å; L198-I202 VanDerWaalsContact O-CG1 3.25Å; L198-I202 WeakPolarHBondContact O-CG1 3.43Å; L198-I202 PolarHBondContact O-N 3.27Å; C200-I202 PolarHBondContact O-N 2.79Å
203	L	98.7	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-106.4	-13.6	-176.4	-56.2	-177.9	0	0	0	113.5	R120 N122 H171 I193 L199 C200 D201	R120-L203 HydrophobicContact CB-CD2 4.36Å; R120-L203 HydrophobicContact CG-CD1 4.32Å; R120-L203 WeakPolarHBondContact O-CD2 3.41Å; N122-L203 HydrophobicContact CB-CB 4.4Å; H171-L203 HydrophobicContact CB-CD2 3.98Å; H171-L203 PolarHBondContact CD2-O 3.04Å; I193-L203 HydrophobicContact CD1-CD1 3.41Å; I193-L203 VanDerWaalsContact CD1-CD1 3.41Å; I193-L203 HydrophobicContact CG1-CD1 3.82Å; I193-L203 HydrophobicContact CG2-CD1 4.36Å; L199-L203 HydrophobicContact CD1-CD1 3.89Å; L199-L203 HydrophobicContact CD1-CG 4.43Å; L199-L203 WeakPolarHBondContact O-CG 3.27Å; C200-L203 CarbonylContact O-C 3.51Å; C200-L203 WeakPolarHBondContact O-CA 3.24Å; C200-L203 PolarHBondContact O-N 3.19Å; D201-L203 PolarHBondContact O-N 3.13Å
204	W	98.7	Very high	97.8	Very high	35 Å²	35	49.4 Å²	49.4	13%	0.133	26%	0.264	C	S	.	.	H	α-helix	trans	-129.7	-16.1	-170.4	-76.1	103.5	0	0	0	115.6	N122 I128 C200 D201 N217 V221 H246	N122-W204 HydrophobicContact CB-CD2 3.8Å; N122-W204 VanDerWaalsContact CB-CE2 3.44Å; N122-W204 HydrophobicContact CB-CE3 4.28Å; N122-W204 HydrophobicContact CB-CG 4.31Å; N122-W204 HydrophobicContact CB-CH2 4.22Å; N122-W204 HydrophobicContact CB-CZ2 3.68Å; N122-W204 HydrophobicContact CB-CZ3 4.48Å; N122-W204 WeakPolarHBondContact ND2-CH2 3.43Å; N122-W204 WeakPolarHBondContact ND2-CZ2 3.5Å; N122-W204 WeakPolarHBondContact ND2-CZ3 3.43Å; I128-W204 HydrophobicContact CD1-CH2 3.7Å; I128-W204 HydrophobicContact CD1-CZ2 3.67Å; I128-W204 HydrophobicContact CG1-CH2 4.14Å; I128-W204 HydrophobicContact CG1-CZ2 3.76Å; C200-W204 WeakPolarHBondContact O-CB 3.37Å; C200-W204 VanDerWaalsContact O-CD1 3.26Å; C200-W204 PolarHBondContact O-N 3.03Å; D201-W204 PolarHBondContact O-N 3.46Å; W204-N217 PolarHBondContact O-ND2 3.31Å; W204-V221 HydrophobicContact CB-CG1 4.29Å; W204-V221 HydrophobicContact CB-CG2 4.3Å; W204-V221 HydrophobicContact CD2-CG1 3.59Å; W204-V221 HydrophobicContact CD2-CG2 4.14Å; W204-V221 HydrophobicContact CE3-CG1 3.31Å; W204-V221 HydrophobicContact CG-CG1 4.07Å; W204-V221 HydrophobicContact CG-CG2 3.99Å; W204-V221 HydrophobicContact CH2-CG1 4.33Å; W204-V221 HydrophobicContact CZ3-CG1 3.71Å; W204-H246 AromaticContact CE3-CE1 3.83Å
205	S	98.6	Very high	97.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.			trans	-74.6	153.1	-176.5	69.3	0	0	0	0	112.5	G172 G173 L174 D201 F223 F225 R244	G172-S205 CarbonylContact C-O 3.58Å; G172-S205 WeakPolarHBondContact CA-O 3.44Å; G173-S205 WeakPolarHBondContact CA-OG 3.38Å; G173-S205 PolarHBondContact N-O 3.36Å; G173-S205 PolarHBondContact N-OG 2.8Å; L174-S205 PolarHBondContact N-OG 2.96Å; L174-S205 VanDerWaalsContact N-OG 3.09Å; L174-S205 VanDerWaalsContact O-CB 3.3Å; L174-S205 WeakPolarHBondContact O-CB 3.24Å; L174-S205 PolarHBondContact O-OG 3.13Å; D201-S205 WeakPolarHBondContact O-CB 3.44Å; D201-S205 PolarHBondContact O-N 3.07Å; D201-S205 PolarHBondContact O-OG 3.01Å; S205-F223 WeakPolarHBondContact CA-O 3.39Å; S205-F223 WeakPolarHBondContact CB-O 3.46Å; S205-F225 WeakPolarHBondContact OG-CE1 3.16Å; S205-R244 PolarHBondContact O-NH2 3.33Å
206	D	98.7	Very high	97.9	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.7	-177.4	-72.3	-57.4	0	0	0	112	N217 R219 F223 T224 F225 R244 H246 Q247	D206-N217 PolarHBondContact OD2-ND2 2.84Å; D206-R219 IonicContact OD1-NH2 3.04Å; D206-R219 WeakPolarHBondContact OD2-CD 3.35Å; D206-R219 IonicContact OD2-CZ 2.73Å; D206-R219 IonicContact OD2-NE 3.78Å; D206-R219 PolarHBondContact OD2-NE 2.93Å; D206-R219 IonicContact OD2-NH2 3.6Å; D206-F223 PolarHBondContact N-O 3.08Å; D206-T224 HydrophobicContact CB-CG2 4.38Å; D206-T224 CarbonylContact O-C 3.53Å; D206-T224 WeakPolarHBondContact O-CA 3.17Å; D206-F225 VanDerWaalsContact C-CE1 3.42Å; D206-F225 VanDerWaalsContact O-CD1 3.31Å; D206-F225 WeakPolarHBondContact O-CD1 3.36Å; D206-F225 WeakPolarHBondContact O-CE1 3.38Å; D206-F225 PolarHBondContact O-N 3.31Å; D206-R244 IonicContact OD1-CZ 3.47Å; D206-R244 IonicContact OD1-NH1 3.89Å; D206-R244 IonicContact OD1-NH2 3.56Å; D206-R244 PolarHBondContact OD1-NH2 3.15Å; D206-H246 IonicContact OD1-CD2 3.9Å; D206-H246 PolarHBondContact OD1-CD2 3.03Å; D206-H246 VanDerWaalsContact OD1-CD2 3.28Å; D206-Q247 WeakPolarHBondContact OD1-CG 3.35Å; D206-Q247 PolarHBondContact OD1-NE2 3.38Å; D206-Q247 PolarHBondContact OD1-OE1 3.41Å
207	P	98.5	Very high	97.9	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.097	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	139.2	167.8	30.4	-33.9	0	0	0	110.7	F225 F256 L261	P207-F225 WeakPolarHBondContact CA-O 3.42Å; P207-F225 HydrophobicContact CB-CE2 3.94Å; P207-F225 HydrophobicContact CB-CZ 4.11Å; P207-F256 HydrophobicContact CB-CD1 3.82Å; P207-F256 HydrophobicContact CB-CD2 4.14Å; P207-F256 HydrophobicContact CB-CE1 3.82Å; P207-F256 HydrophobicContact CB-CE2 4.13Å; P207-F256 HydrophobicContact CB-CG 3.97Å; P207-F256 HydrophobicContact CB-CZ 3.96Å; P207-L261 HydrophobicContact CB-CD1 4.35Å; P207-L261 HydrophobicContact CB-CD2 4.43Å; P207-L261 HydrophobicContact CG-CD2 4.05Å
208	D	98.2	Very high	97.8	Very high	54 Å²	54	52.4 Å²	52.4	29%	0.289	27%	0.268	S	S	.	.			trans	-135.2	127.1	173.2	-171.2	-21.8	0	0	0	110.1	D210 V211 T224 F225	D208-D210 VanDerWaalsContact C-N 3.31Å; D208-D210 PolarHBondContact OD1-N 3.02Å; D208-V211 HydrophobicContact CB-CB 4.09Å; D208-V211 HydrophobicContact CB-CG2 3.76Å; D208-T224 HydrophobicContact CB-CG2 4.23Å; D208-F225 PolarHBondContact N-O 3.18Å
209	K	97.1	Very high	97.6	Very high	157 Å²	157	56.5 Å²	56.5	68%	0.683	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.6	-176.8	66.7	-177.5	179.5	-175.9	0	112.9	F256	K209-F256 HydrophobicContact CB-CE2 3.94Å
210	D	97	Very high	97.4	Very high	136 Å²	136	59.5 Å²	59.5	73%	0.727	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.8	-174.9	-62.3	-48.1	0	0	0	111.5	D208	D208-D210 VanDerWaalsContact C-N 3.31Å; D208-D210 PolarHBondContact OD1-N 3.02Å
211	V	96.2	Very high	97.3	Very high	23 Å²	23	60.8 Å²	60.8	14%	0.139	32%	0.324	C	S	.	.			trans	-97.7	139.9	176	173.4	0	0	0	0	111	D208 A215 G226	D208-V211 HydrophobicContact CB-CB 4.09Å; D208-V211 HydrophobicContact CB-CG2 3.76Å; V211-A215 HydrophobicContact CG1-CB 3.89Å; V211-A215 HydrophobicContact CG2-CB 3.85Å; V211-G226 WeakPolarHBondContact O-CA 2.99Å
212	N	97	Very high	97.3	Very high	139 Å²	139	61.7 Å²	61.7	74%	0.743	33%	0.33	S	S	*	.	S	Bend	trans	-115.4	117.9	167.5	-176.3	23.4	0	0	0	108.5	D228	N212-D228 PolarHBondContact OD1-OD1 2.8Å; N212-D228 PolarHBondContact OD1-OD2 3.05Å
213	G	98.4	Very high	97.2	Very high	16 Å²	16	65.1 Å²	65.1	17%	0.165	35%	0.346	C	S	.	.	S	Bend	trans	81.5	-127.7	-168.7	0	0	0	0	0	112.3	F225 G226 D228 V229	G213-F225 WeakPolarHBondContact O-CA 3.13Å; G213-G226 PolarHBondContact O-N 3.38Å; G213-D228 PolarHBondContact N-OD1 3.31Å; G213-D228 PolarHBondContact N-OD2 3.02Å; G213-D228 VanDerWaalsContact N-OD2 3.17Å; G213-V229 WeakPolarHBondContact O-CG2 3.48Å
214	W	98.4	Very high	97.2	Very high	88 Å²	88	65.8 Å²	65.8	33%	0.333	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.9	-177.5	-60.1	91.8	0	0	0	110.6	L174 S175 P176 F223 T224 F225 V229	L174-W214 HydrophobicContact CB-CH2 3.67Å; L174-W214 HydrophobicContact CB-CZ3 4.46Å; S175-W214 VanDerWaalsContact C-CZ2 3.42Å; P176-W214 HydrophobicContact CB-CD2 4.06Å; P176-W214 HydrophobicContact CB-CG 4.41Å; P176-W214 HydrophobicContact CB-CZ2 4.11Å; P176-W214 HydrophobicContact CG-CD2 4.41Å; P176-W214 HydrophobicContact CG-CE3 4.46Å; P176-W214 VanDerWaalsContact N-CH2 3.29Å; P176-W214 VanDerWaalsContact N-CZ2 3.3Å; W214-F223 HydrophobicContact CE3-CB 3.74Å; W214-F223 HydrophobicContact CE3-CG 4.32Å; W214-F223 HydrophobicContact CZ3-CB 4.3Å; W214-T224 WeakPolarHBondContact CA-O 3.37Å; W214-F225 HydrophobicContact CD2-CB 4.28Å; W214-F225 HydrophobicContact CE3-CB 3.7Å; W214-F225 HydrophobicContact CH2-CB 4.06Å; W214-F225 HydrophobicContact CH2-CG 4.44Å; W214-F225 HydrophobicContact CZ3-CB 3.59Å; W214-F225 AromaticContact CZ3-CD1 3.95Å; W214-F225 HydrophobicContact CZ3-CD1 3.95Å; W214-F225 HydrophobicContact CZ3-CG 4.09Å; W214-V229 HydrophobicContact CH2-CG1 3.93Å; W214-V229 HydrophobicContact CZ2-CG1 3.42Å; W214-V229 VanDerWaalsContact CZ2-CG1 3.42Å
215	A	98	Very high	97.2	Very high	37 Å²	37	64.1 Å²	64.1	31%	0.306	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	167.2	171.4	0	0	0	0	0	111	V211 F223 T224	V211-A215 HydrophobicContact CG1-CB 3.89Å; V211-A215 HydrophobicContact CG2-CB 3.85Å; A215-F223 CarbonylContact O-C 3.53Å; A215-F223 WeakPolarHBondContact O-CA 3.45Å; A215-F223 WeakPolarHBondContact O-CB 3.49Å; A215-T224 WeakPolarHBondContact CB-OG1 3.35Å; A215-T224 PolarHBondContact N-O 3.1Å; A215-T224 PolarHBondContact O-N 3.33Å; A215-T224 PolarHBondContact O-OG1 3.38Å
216	E	96	Very high	97.2	Very high	174 Å²	174	64.1 Å²	64.1	81%	0.813	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.2	173.8	-66.6	-177.4	174.5	0	0	110.1
217	N	96.7	Very high	97.2	Very high	15 Å²	15	66 Å²	66	8%	0.08	36%	0.355	C	S	.	.			trans	-90.6	132.4	177.3	-167.5	-32.7	0	0	0	110.7	W204 D206 R219 G220 V221 T224	W204-N217 PolarHBondContact O-ND2 3.31Å; D206-N217 PolarHBondContact OD2-ND2 2.84Å; N217-R219 PolarHBondContact O-N 2.87Å; N217-R219 WeakPolarHBondContact OD1-CB 3.37Å; N217-R219 WeakPolarHBondContact OD1-CG 3.27Å; N217-R219 PolarHBondContact OD1-N 2.86Å; N217-G220 PolarHBondContact O-N 3.14Å; N217-V221 WeakPolarHBondContact CB-O 3.36Å; N217-T224 HydrophobicContact CB-CG2 4.17Å
218	D	94.6	Very high	97.2	Very high	171 Å²	171	68.2 Å²	68.2	91%	0.914	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.6	176.7	-72.6	-15.2	0	0	0	113.6	G220	D218-G220 PolarHBondContact O-N 2.88Å
219	R	93.7	Very high	97.2	Very high	109 Å²	109	66.3 Å²	66.3	41%	0.411	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.8	171.1	-64.9	178.7	-171.8	-98.3	17	113.5	D206 N217 V221 H246	D206-R219 IonicContact OD1-NH2 3.04Å; D206-R219 WeakPolarHBondContact OD2-CD 3.35Å; D206-R219 IonicContact OD2-CZ 2.73Å; D206-R219 IonicContact OD2-NE 3.78Å; D206-R219 PolarHBondContact OD2-NE 2.93Å; D206-R219 IonicContact OD2-NH2 3.6Å; N217-R219 PolarHBondContact O-N 2.87Å; N217-R219 WeakPolarHBondContact OD1-CB 3.37Å; N217-R219 WeakPolarHBondContact OD1-CG 3.27Å; N217-R219 PolarHBondContact OD1-N 2.86Å; R219-V221 VanDerWaalsContact C-N 3.27Å; R219-V221 HydrophobicContact CB-CG1 3.98Å; R219-H246 VanDerWaalsContact CZ-NE2 3.26Å; R219-H246 PolarHBondContact NE-NE2 3.36Å; R219-H246 PolarHBondContact NH2-CD2 3.24Å; R219-H246 PolarHBondContact NH2-NE2 2.78Å; R219-H246 PolarHBondContact NH2-O 2.95Å; R219-H246 VanDerWaalsContact NH2-O 3.08Å
220	G	95.4	Very high	97.3	Very high	76 Å²	76	58.8 Å²	58.8	78%	0.784	32%	0.324	S	S	*	.	S	Bend	trans	75.5	14.5	-175.7	0	0	0	0	0	113.8	N217 D218	N217-G220 PolarHBondContact O-N 3.14Å; D218-G220 PolarHBondContact O-N 2.88Å
221	V	96.1	Very high	97.4	Very high	27 Å²	27	53.9 Å²	53.9	16%	0.164	30%	0.299	C	S	.	.	S	Bend	trans	-146.8	140.3	-179.5	59.5	0	0	0	0	109.8	C200 W204 N217 R219	C200-V221 WeakPolarHBondContact SG-CG2 3.46Å; W204-V221 HydrophobicContact CB-CG1 4.29Å; W204-V221 HydrophobicContact CB-CG2 4.3Å; W204-V221 HydrophobicContact CD2-CG1 3.59Å; W204-V221 HydrophobicContact CD2-CG2 4.14Å; W204-V221 HydrophobicContact CE3-CG1 3.31Å; W204-V221 HydrophobicContact CG-CG1 4.07Å; W204-V221 HydrophobicContact CG-CG2 3.99Å; W204-V221 HydrophobicContact CH2-CG1 4.33Å; W204-V221 HydrophobicContact CZ3-CG1 3.71Å; N217-V221 WeakPolarHBondContact CB-O 3.36Å; R219-V221 VanDerWaalsContact C-N 3.27Å; R219-V221 HydrophobicContact CB-CG1 3.98Å
222	S	97.8	Very high	97.5	Very high	19 Å²	19	59 Å²	59	13%	0.133	32%	0.32	C	S	.	.	S	Bend	trans	56.9	-152.8	-176.7	-166.5	0	0	0	0	113.6	D201	D201-S222 VanDerWaalsContact CA-OG 3.25Å; D201-S222 WeakPolarHBondContact CA-OG 3.47Å; D201-S222 WeakPolarHBondContact CB-OG 3.48Å; D201-S222 WeakPolarHBondContact OD1-CB 3.38Å; D201-S222 PolarHBondContact OD1-OG 3.4Å
223	F	98.3	Very high	97.6	Very high	73 Å²	73	53 Å²	53	32%	0.32	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.8	-168.9	-58.1	-82.7	0	0	0	111.6	P176 S205 D206 W214 A215	P176-F223 HydrophobicContact CG-CD2 3.84Å; P176-F223 HydrophobicContact CG-CE2 3.69Å; P176-F223 HydrophobicContact CG-CZ 4.3Å; S205-F223 WeakPolarHBondContact CA-O 3.39Å; S205-F223 WeakPolarHBondContact CB-O 3.46Å; D206-F223 PolarHBondContact N-O 3.08Å; W214-F223 HydrophobicContact CE3-CB 3.74Å; W214-F223 HydrophobicContact CE3-CG 4.32Å; W214-F223 HydrophobicContact CZ3-CB 4.3Å; A215-F223 CarbonylContact O-C 3.53Å; A215-F223 WeakPolarHBondContact O-CA 3.45Å; A215-F223 WeakPolarHBondContact O-CB 3.49Å
224	T	98.7	Very high	97.6	Very high	13 Å²	13	52.2 Å²	52.2	8%	0.08	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	153.3	157.5	52	0	0	0	0	110.4	D206 D208 W214 A215 N217	D206-T224 HydrophobicContact CB-CG2 4.38Å; D206-T224 CarbonylContact O-C 3.53Å; D206-T224 WeakPolarHBondContact O-CA 3.17Å; D208-T224 HydrophobicContact CB-CG2 4.23Å; W214-T224 WeakPolarHBondContact CA-O 3.37Å; A215-T224 WeakPolarHBondContact CB-OG1 3.35Å; A215-T224 PolarHBondContact N-O 3.1Å; A215-T224 PolarHBondContact O-N 3.33Å; A215-T224 PolarHBondContact O-OG1 3.38Å; N217-T224 HydrophobicContact CB-CG2 4.17Å
225	F	98.8	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.3	179.2	57	-89.5	0	0	0	113.7	L174 S205 D206 P207 D208 G213 W214 V229 V230 L261	L174-F225 HydrophobicContact CB-CD1 4.34Å; L174-F225 HydrophobicContact CB-CD2 4.5Å; L174-F225 HydrophobicContact CB-CE1 4.34Å; L174-F225 HydrophobicContact CB-CE2 4.49Å; L174-F225 HydrophobicContact CB-CG 4.43Å; L174-F225 HydrophobicContact CB-CZ 4.42Å; L174-F225 HydrophobicContact CD1-CD2 4.23Å; L174-F225 HydrophobicContact CD1-CE2 4.23Å; L174-F225 HydrophobicContact CG-CD2 4.49Å; L174-F225 HydrophobicContact CG-CE2 4.19Å; L174-F225 HydrophobicContact CG-CZ 4.34Å; S205-F225 WeakPolarHBondContact OG-CE1 3.16Å; D206-F225 VanDerWaalsContact C-CE1 3.42Å; D206-F225 VanDerWaalsContact O-CD1 3.31Å; D206-F225 WeakPolarHBondContact O-CD1 3.36Å; D206-F225 WeakPolarHBondContact O-CE1 3.38Å; D206-F225 PolarHBondContact O-N 3.31Å; P207-F225 WeakPolarHBondContact CA-O 3.42Å; P207-F225 HydrophobicContact CB-CE2 3.94Å; P207-F225 HydrophobicContact CB-CZ 4.11Å; D208-F225 PolarHBondContact N-O 3.18Å; G213-F225 WeakPolarHBondContact O-CA 3.13Å; W214-F225 HydrophobicContact CD2-CB 4.28Å; W214-F225 HydrophobicContact CE3-CB 3.7Å; W214-F225 HydrophobicContact CH2-CB 4.06Å; W214-F225 HydrophobicContact CH2-CG 4.44Å; W214-F225 HydrophobicContact CZ3-CB 3.59Å; W214-F225 AromaticContact CZ3-CD1 3.95Å; W214-F225 HydrophobicContact CZ3-CD1 3.95Å; W214-F225 HydrophobicContact CZ3-CG 4.09Å; F225-V229 HydrophobicContact CB-CB 4.11Å; F225-V229 HydrophobicContact CB-CG1 4.08Å; F225-V229 HydrophobicContact CB-CG2 4.29Å; F225-V230 HydrophobicContact CD2-CG2 3.84Å; F225-V230 HydrophobicContact CE2-CG2 3.71Å; F225-L261 HydrophobicContact CE2-CD1 3.79Å; F225-L261 HydrophobicContact CZ-CD1 4.05Å
226	G	98.6	Very high	97.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.298	C	S	.	.			trans	-80.3	170.2	-175.9	0	0	0	0	0	115.5	V211 G213 D228 V229 V230	V211-G226 WeakPolarHBondContact O-CA 2.99Å; G213-G226 PolarHBondContact O-N 3.38Å; G226-D228 PolarHBondContact O-N 3.21Å; G226-V229 PolarHBondContact O-N 3.29Å; G226-V229 VanDerWaalsContact O-N 3.16Å; G226-V230 PolarHBondContact O-N 2.98Å
227	P	98.5	Very high	97.7	Very high	43 Å²	43	50.8 Å²	50.8	28%	0.279	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-30	172.6	-23.3	33.8	0	0	0	113.8	V230 T231 F256 C257	P227-V230 PolarHBondContact O-N 3.04Å; P227-T231 PolarHBondContact O-N 3.43Å; P227-T231 PolarHBondContact O-OG1 3.24Å; P227-F256 HydrophobicContact CB-CE1 4.36Å; P227-F256 HydrophobicContact CB-CZ 4.33Å; P227-F256 HydrophobicContact CG-CE1 4.11Å; P227-F256 HydrophobicContact CG-CE2 4.25Å; P227-F256 HydrophobicContact CG-CZ 3.6Å; P227-C257 HydrophobicContact CB-CB 3.99Å; P227-C257 PolarHBondContact O-SG 2.73Å
228	D	98.5	Very high	97.7	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.332	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-39.7	177.5	67.5	-61.8	0	0	0	111.8	N212 G213 G226 T231 K232	N212-D228 PolarHBondContact OD1-OD1 2.8Å; N212-D228 PolarHBondContact OD1-OD2 3.05Å; G213-D228 PolarHBondContact N-OD1 3.31Å; G213-D228 PolarHBondContact N-OD2 3.02Å; G213-D228 VanDerWaalsContact N-OD2 3.17Å; G226-D228 PolarHBondContact O-N 3.21Å; D228-T231 PolarHBondContact O-N 2.93Å; D228-K232 VanDerWaalsContact O-CB 3.27Å; D228-K232 WeakPolarHBondContact O-CB 3.24Å; D228-K232 PolarHBondContact O-N 3.06Å
229	V	98.7	Very high	97.9	Very high	14 Å²	14	48.4 Å²	48.4	9%	0.085	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-46.1	176	179.4	0	0	0	0	110.5	L174 G213 W214 F225 G226 K232 F233	L174-V229 HydrophobicContact CD1-CG1 3.9Å; G213-V229 WeakPolarHBondContact O-CG2 3.48Å; W214-V229 HydrophobicContact CH2-CG1 3.93Å; W214-V229 HydrophobicContact CZ2-CG1 3.42Å; W214-V229 VanDerWaalsContact CZ2-CG1 3.42Å; F225-V229 HydrophobicContact CB-CB 4.11Å; F225-V229 HydrophobicContact CB-CG1 4.08Å; F225-V229 HydrophobicContact CB-CG2 4.29Å; G226-V229 PolarHBondContact O-N 3.29Å; G226-V229 VanDerWaalsContact O-N 3.16Å; V229-K232 PolarHBondContact O-N 3.37Å; V229-F233 WeakPolarHBondContact O-CB 3.49Å; V229-F233 PolarHBondContact O-N 3.37Å
230	V	98.7	Very high	98.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.3	-52	176.2	171.5	0	0	0	0	110.9	L174 F225 G226 P227 K232 F233 L234 I242 F256 C257 Q260 L261	L174-V230 HydrophobicContact CD1-CG2 4.43Å; F225-V230 HydrophobicContact CD2-CG2 3.84Å; F225-V230 HydrophobicContact CE2-CG2 3.71Å; G226-V230 PolarHBondContact O-N 2.98Å; P227-V230 PolarHBondContact O-N 3.04Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.3Å; V230-F233 PolarHBondContact O-N 3.15Å; V230-L234 HydrophobicContact CG1-CD1 4.03Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 3.43Å; V230-I242 HydrophobicContact CG1-CD1 4.06Å; V230-I242 HydrophobicContact CG2-CD1 4.35Å; V230-F256 HydrophobicContact CG2-CD1 4.14Å; V230-F256 HydrophobicContact CG2-CE1 3.88Å; V230-C257 HydrophobicContact CB-CB 4.24Å; V230-C257 HydrophobicContact CG1-CB 4.04Å; V230-Q260 HydrophobicContact CG1-CB 3.86Å; V230-L261 HydrophobicContact CG1-CB 4.27Å; V230-L261 HydrophobicContact CG2-CD1 4.08Å
231	T	98.6	Very high	98.3	Very high	32 Å²	32	42.3 Å²	42.3	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-59.2	-44.8	-179.8	-57.9	0	0	0	0	111.1	P227 D228 N235 C257 Q260	P227-T231 PolarHBondContact O-N 3.43Å; P227-T231 PolarHBondContact O-OG1 3.24Å; D228-T231 PolarHBondContact O-N 2.93Å; T231-N235 WeakPolarHBondContact O-CB 3.33Å; T231-N235 PolarHBondContact O-N 3.08Å; T231-N235 VanDerWaalsContact O-N 3.08Å; T231-N235 PolarHBondContact O-ND2 3.04Å; T231-C257 PolarHBondContact OG1-SG 3.37Å; T231-Q260 PolarHBondContact OG1-OE1 3.02Å
232	K	98.3	Very high	98.4	Very high	132 Å²	132	41 Å²	41	57%	0.574	21%	0.205	S	C	*	.	H	α-helix	trans	-65.4	-40.4	-179.6	-175.8	179.3	179.8	-179.6	0	112.3	D228 V229 V230 R236	D228-K232 VanDerWaalsContact O-CB 3.27Å; D228-K232 WeakPolarHBondContact O-CB 3.24Å; D228-K232 PolarHBondContact O-N 3.06Å; V229-K232 PolarHBondContact O-N 3.37Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.3Å; K232-R236 VanDerWaalsContact O-CB 3.24Å; K232-R236 WeakPolarHBondContact O-CB 3.48Å; K232-R236 PolarHBondContact O-N 3.31Å
233	F	98.7	Very high	98.5	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.048	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-51.9	177.7	172.9	-92.5	0	0	0	111.5	F168 L174 L178 M181 V229 V230 N235 R236 H237 M239 I242	F168-F233 HydrophobicContact CB-CE1 4.13Å; F168-F233 HydrophobicContact CB-CZ 4.44Å; F168-F233 HydrophobicContact CD1-CE1 4.14Å; F168-F233 HydrophobicContact CD1-CZ 4.01Å; F168-F233 HydrophobicContact CD2-CZ 4.24Å; F168-F233 HydrophobicContact CE1-CZ 4.32Å; F168-F233 HydrophobicContact CG-CE1 4.1Å; F168-F233 AromaticContact CG-CZ 3.97Å; F168-F233 HydrophobicContact CG-CZ 3.97Å; L174-F233 HydrophobicContact CD1-CB 3.8Å; L174-F233 HydrophobicContact CD1-CD1 4.35Å; L174-F233 HydrophobicContact CD1-CD2 4.41Å; L174-F233 HydrophobicContact CD1-CG 3.94Å; L174-F233 HydrophobicContact CD2-CD1 3.85Å; L174-F233 HydrophobicContact CD2-CD2 3.75Å; L174-F233 HydrophobicContact CD2-CE1 3.87Å; L174-F233 HydrophobicContact CD2-CE2 3.77Å; L174-F233 HydrophobicContact CD2-CG 3.78Å; L174-F233 HydrophobicContact CD2-CZ 3.81Å; L178-F233 HydrophobicContact CD2-CE2 3.61Å; L178-F233 HydrophobicContact CD2-CZ 4.27Å; L178-F233 HydrophobicContact CG-CE2 4.26Å; M181-F233 HydrophobicContact CE-CE2 3.52Å; M181-F233 HydrophobicContact CE-CZ 3.38Å; V229-F233 WeakPolarHBondContact O-CB 3.49Å; V229-F233 PolarHBondContact O-N 3.37Å; V230-F233 PolarHBondContact O-N 3.15Å; F233-N235 PolarHBondContact O-N 3.33Å; F233-R236 WeakPolarHBondContact O-CB 3.14Å; F233-R236 PolarHBondContact O-N 3.13Å; F233-H237 AromaticContact CD2-CD2 3.59Å; F233-H237 AromaticContact CE2-CD2 3.48Å; F233-H237 VanDerWaalsContact CE2-CD2 3.48Å; F233-H237 WeakPolarHBondContact CE2-CD2 3.14Å; F233-H237 AromaticContact CE2-NE2 3.89Å; F233-H237 AromaticContact CZ-CD2 3.97Å; F233-H237 PolarHBondContact O-CD2 3.45Å; F233-H237 VanDerWaalsContact O-CD2 3.3Å; F233-H237 PolarHBondContact O-N 3.4Å; F233-H237 VanDerWaalsContact O-N 3.1Å; F233-M239 HydrophobicContact CE1-SD 4.1Å; F233-M239 HydrophobicContact CZ-SD 4.44Å; F233-I242 HydrophobicContact CD1-CD1 3.85Å; F233-I242 HydrophobicContact CD1-CG1 4.21Å; F233-I242 HydrophobicContact CE1-CD1 4.21Å; F233-I242 HydrophobicContact CE1-CG1 4.19Å
234	L	98.6	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-47	-179.6	-72.5	178.4	0	0	0	111.8	V230 R236 H237 D238 M239 I242 Q260	V230-L234 HydrophobicContact CG1-CD1 4.03Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 3.43Å; L234-R236 VanDerWaalsContact C-N 3.32Å; L234-R236 PolarHBondContact O-N 3.35Å; L234-H237 CarbonylContact O-C 3.59Å; L234-H237 PolarHBondContact O-N 3.43Å; L234-D238 PolarHBondContact O-N 3.4Å; L234-M239 WeakPolarHBondContact CB-O 3.35Å; L234-M239 HydrophobicContact CD2-CB 3.55Å; L234-M239 PolarHBondContact O-N 2.94Å; L234-I242 HydrophobicContact CD2-CG1 3.94Å; L234-I242 HydrophobicContact CG-CG1 4.42Å; L234-Q260 HydrophobicContact CD1-CB 3.56Å; L234-Q260 HydrophobicContact CD1-CG 4.01Å
235	N	98.1	Very high	98.5	Very high	119 Å²	119	36 Å²	36	64%	0.636	18%	0.18	S	C	*	.	H	α-helix	trans	-61.5	-38.5	176.7	-71.9	-15.3	0	0	0	112.8	T231 F233 H237	T231-N235 WeakPolarHBondContact O-CB 3.33Å; T231-N235 PolarHBondContact O-N 3.08Å; T231-N235 VanDerWaalsContact O-N 3.08Å; T231-N235 PolarHBondContact O-ND2 3.04Å; F233-N235 PolarHBondContact O-N 3.33Å; N235-H237 VanDerWaalsContact C-N 3.31Å; N235-H237 PolarHBondContact O-N 3.28Å
236	R	98.1	Very high	98.5	Very high	109 Å²	109	36.5 Å²	36.5	41%	0.411	18%	0.182	S	C	.	.	H	α-helix	trans	-66.2	-35	179.5	175.3	-172.9	-69.8	179.5	-13.7	112.1	K232 F233 L234	K232-R236 VanDerWaalsContact O-CB 3.24Å; K232-R236 WeakPolarHBondContact O-CB 3.48Å; K232-R236 PolarHBondContact O-N 3.31Å; F233-R236 WeakPolarHBondContact O-CB 3.14Å; F233-R236 PolarHBondContact O-N 3.13Å; L234-R236 VanDerWaalsContact C-N 3.32Å; L234-R236 PolarHBondContact O-N 3.35Å
237	H	98	Very high	98.5	Very high	42 Å²	42	39.3 Å²	39.3	19%	0.194	20%	0.195	C	C	.	.	H	α-helix	trans	-105.8	6	-173.5	-64.9	-59.9	0	0	0	114	Q179 F233 L234 N235 M239	Q179-H237 PolarHBondContact O-CE1 3.08Å; F233-H237 AromaticContact CD2-CD2 3.59Å; F233-H237 AromaticContact CE2-CD2 3.48Å; F233-H237 VanDerWaalsContact CE2-CD2 3.48Å; F233-H237 WeakPolarHBondContact CE2-CD2 3.14Å; F233-H237 AromaticContact CE2-NE2 3.89Å; F233-H237 AromaticContact CZ-CD2 3.97Å; F233-H237 PolarHBondContact O-CD2 3.45Å; F233-H237 VanDerWaalsContact O-CD2 3.3Å; F233-H237 PolarHBondContact O-N 3.4Å; F233-H237 VanDerWaalsContact O-N 3.1Å; L234-H237 CarbonylContact O-C 3.59Å; L234-H237 PolarHBondContact O-N 3.43Å; N235-H237 VanDerWaalsContact C-N 3.31Å; N235-H237 PolarHBondContact O-N 3.28Å; H237-M239 VanDerWaalsContact C-N 3.29Å; H237-M239 HydrophobicContact CB-CE 4.14Å; H237-M239 HydrophobicContact CB-CG 4.19Å; H237-M239 HydrophobicContact CB-SD 3.94Å; H237-M239 PolarHBondContact O-N 3.21Å
238	D	97.9	Very high	98.4	Very high	119 Å²	119	39.4 Å²	39.4	64%	0.636	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	43.7	-177.2	-170.5	36.5	0	0	0	113.3	K166 L234	K166-D238 WeakPolarHBondContact CD-O 3.33Å; K166-D238 PolarHBondContact NZ-O 3.37Å; K166-D238 IonicContact NZ-OD1 3.43Å; K166-D238 PolarHBondContact NZ-OD1 2.75Å; K166-D238 IonicContact NZ-OD2 3.95Å; K166-D238 PolarHBondContact NZ-OD2 3Å; L234-D238 PolarHBondContact O-N 3.4Å
239	M	98.4	Very high	98.4	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.079	18%	0.181	C	C	.	.			trans	-111	158.5	179.4	-69.2	171.9	179.1	0	0	110.9	I162 F168 M181 F233 L234 H237	I162-M239 HydrophobicContact CD1-CE 3.62Å; I162-M239 HydrophobicContact CG1-CE 3.93Å; I162-M239 HydrophobicContact CG2-CE 4.16Å; F168-M239 HydrophobicContact CB-SD 3.75Å; M181-M239 HydrophobicContact CE-CE 4.3Å; F233-M239 HydrophobicContact CE1-SD 4.1Å; F233-M239 HydrophobicContact CZ-SD 4.44Å; L234-M239 WeakPolarHBondContact CB-O 3.35Å; L234-M239 HydrophobicContact CD2-CB 3.55Å; L234-M239 PolarHBondContact O-N 2.94Å; H237-M239 VanDerWaalsContact C-N 3.29Å; H237-M239 HydrophobicContact CB-CE 4.14Å; H237-M239 HydrophobicContact CB-CG 4.19Å; H237-M239 HydrophobicContact CB-SD 3.94Å; H237-M239 PolarHBondContact O-N 3.21Å
240	D	98.2	Very high	98.2	Very high	56 Å²	56	42.9 Å²	42.9	30%	0.299	21%	0.209	S	C	.	.	S	Bend	trans	-108.7	-28.4	-173.9	-53	-27.3	0	0	0	112.4	K166 I321	K166-D240 VanDerWaalsContact CD-OD2 3.26Å; K166-D240 WeakPolarHBondContact CD-OD2 3.08Å; K166-D240 WeakPolarHBondContact CG-OD2 3.25Å; K166-D240 IonicContact NZ-OD1 3.85Å; K166-D240 PolarHBondContact O-N 2.88Å; D240-I321 HydrophobicContact CB-CG2 3.86Å
241	L	98.7	Very high	98.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.6	-173.8	179.8	65.7	0	0	0	112.6	K166 I167 F168 R259 Q260 V262 M281 I321	K166-L241 PolarHBondContact O-N 2.93Å; I167-L241 CarbonylContact C-O 3.48Å; I167-L241 WeakPolarHBondContact CA-O 3.37Å; I167-L241 HydrophobicContact CD1-CD2 4.45Å; I167-L241 HydrophobicContact CG1-CB 4.33Å; I167-L241 HydrophobicContact CG2-CB 4.15Å; I167-L241 HydrophobicContact CG2-CD2 4.01Å; I167-L241 HydrophobicContact CG2-CG 4.1Å; F168-L241 PolarHBondContact N-O 3.41Å; L241-R259 WeakPolarHBondContact CD1-O 3.36Å; L241-Q260 WeakPolarHBondContact CA-O 3.42Å; L241-V262 HydrophobicContact CD1-CB 4.37Å; L241-V262 HydrophobicContact CD1-CG1 4.08Å; L241-V262 HydrophobicContact CD2-CG1 4.09Å; L241-V262 HydrophobicContact CG-CG1 4.38Å; L241-M281 HydrophobicContact CD2-CE 4.21Å; L241-M281 HydrophobicContact CD2-SD 4.27Å; L241-I321 HydrophobicContact CB-CD1 4.15Å; L241-I321 HydrophobicContact CD2-CD1 3.76Å
242	I	98.9	Very high	98.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128	159.9	-61	170	0	0	0	108.5	F168 L174 V230 F233 L234 R244 Q260 L261 V262	F168-I242 HydrophobicContact CD1-CG2 4.38Å; F168-I242 CarbonylContact O-C 3.44Å; F168-I242 WeakPolarHBondContact O-CA 3.5Å; L174-I242 HydrophobicContact CD1-CD1 3.74Å; L174-I242 HydrophobicContact CD2-CD1 3.79Å; L174-I242 HydrophobicContact CG-CD1 3.92Å; V230-I242 HydrophobicContact CG1-CD1 4.06Å; V230-I242 HydrophobicContact CG2-CD1 4.35Å; F233-I242 HydrophobicContact CD1-CD1 3.85Å; F233-I242 HydrophobicContact CD1-CG1 4.21Å; F233-I242 HydrophobicContact CE1-CD1 4.21Å; F233-I242 HydrophobicContact CE1-CG1 4.19Å; L234-I242 HydrophobicContact CD2-CG1 3.94Å; L234-I242 HydrophobicContact CG-CG1 4.42Å; I242-R244 HydrophobicContact CG2-CG 4.5Å; I242-Q260 PolarHBondContact N-O 2.99Å; I242-L261 HydrophobicContact CB-CB 4.12Å; I242-L261 HydrophobicContact CB-CD1 4Å; I242-L261 HydrophobicContact CB-CG 3.94Å; I242-L261 HydrophobicContact CD1-CD1 4.24Å; I242-L261 HydrophobicContact CG2-CD1 3.79Å; I242-L261 HydrophobicContact CG2-CG 4Å; I242-L261 CarbonylContact O-C 3.07Å; I242-L261 VanDerWaalsContact O-CA 3.26Å; I242-L261 WeakPolarHBondContact O-CA 3.46Å; I242-V262 PolarHBondContact O-N 2.86Å
243	C	98.9	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.5	172.9	-175.3	0	0	0	0	109.5	I167 F168 C169 C170 V262 L264 M281	I167-C243 HydrophobicContact CG2-CB 3.88Å; F168-C243 PolarHBondContact O-N 3.22Å; C169-C243 VanDerWaalsContact CA-O 3.24Å; C169-C243 WeakPolarHBondContact CA-O 3.12Å; C170-C243 PolarHBondContact N-O 2.97Å; C243-V262 HydrophobicContact CB-CG1 4.03Å; C243-L264 VanDerWaalsContact SG-CD1 3.53Å; C243-M281 HydrophobicContact CB-CE 4.06Å; C243-M281 VanDerWaalsContact SG-CE 3.58Å
244	R	98.9	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	174.6	-175.8	63.6	74	57.1	151.8	18.3	112.7	C170 H171 G172 S205 D206 I242 L261 V262 T263 L264	C170-R244 VanDerWaalsContact O-CA 3.25Å; C170-R244 WeakPolarHBondContact O-CA 3.46Å; H171-R244 PolarHBondContact O-NE 2.88Å; G172-R244 WeakPolarHBondContact O-CB 3.37Å; G172-R244 VanDerWaalsContact O-CZ 3.25Å; G172-R244 PolarHBondContact O-NE 3.24Å; G172-R244 PolarHBondContact O-NH2 3.17Å; S205-R244 PolarHBondContact O-NH2 3.33Å; D206-R244 IonicContact OD1-CZ 3.47Å; D206-R244 IonicContact OD1-NH1 3.89Å; D206-R244 IonicContact OD1-NH2 3.56Å; D206-R244 PolarHBondContact OD1-NH2 3.15Å; I242-R244 HydrophobicContact CG2-CG 4.5Å; R244-L261 HydrophobicContact CG-CD1 4.29Å; R244-L261 HydrophobicContact CG-CD2 3.99Å; R244-L261 HydrophobicContact CG-CG 4.24Å; R244-V262 PolarHBondContact N-O 3.02Å; R244-T263 WeakPolarHBondContact CD-OG1 3.44Å; R244-T263 PolarHBondContact NH1-OG1 2.79Å; R244-T263 CarbonylContact O-C 3.56Å; R244-T263 WeakPolarHBondContact O-CA 3.22Å; R244-L264 PolarHBondContact O-N 2.81Å
245	A	98.8	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.			trans	-127.6	-124.8	-174.6	0	0	0	0	0	113.3	D62 L88 H171 Q247 T263 L264	D62-A245 WeakPolarHBondContact OD1-CB 3.25Å; L88-A245 HydrophobicContact CB-CB 3.73Å; L88-A245 HydrophobicContact CD1-CB 3.94Å; L88-A245 HydrophobicContact CG-CB 4.49Å; H171-A245 CarbonylContact O-C 3.6Å; H171-A245 PolarHBondContact O-N 3.33Å; A245-Q247 PolarHBondContact O-N 2.7Å; A245-T263 WeakPolarHBondContact O-CG2 3.43Å; A245-L264 WeakPolarHBondContact CA-O 3.33Å; A245-L264 WeakPolarHBondContact CB-O 3.45Å
246	H	98.6	Very high	98.1	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.051	21%	0.212	C	C	.	.	S	Bend	trans	66.2	-22.7	161	-169.4	64.4	0	0	0	119.3	D62 N122 H171 W204 D206 R219	D62-H246 PolarHBondContact OD1-N 3.38Å; N122-H246 PolarHBondContact OD1-CE1 3.21Å; N122-H246 PolarHBondContact OD1-ND1 2.97Å; H171-H246 AromaticContact CD2-CG 3.94Å; H171-H246 AromaticContact CD2-ND1 3.61Å; H171-H246 WeakPolarHBondContact NE2-CB 3.42Å; H171-H246 AromaticContact NE2-CG 3.57Å; H171-H246 AromaticContact NE2-ND1 3.08Å; H171-H246 PolarHBondContact NE2-ND1 3.09Å; H171-H246 WeakPolarHBondContact O-CB 3.49Å; W204-H246 AromaticContact CE3-CE1 3.83Å; D206-H246 IonicContact OD1-CD2 3.9Å; D206-H246 PolarHBondContact OD1-CD2 3.03Å; D206-H246 VanDerWaalsContact OD1-CD2 3.28Å; R219-H246 VanDerWaalsContact CZ-NE2 3.26Å; R219-H246 PolarHBondContact NE-NE2 3.36Å; R219-H246 PolarHBondContact NH2-CD2 3.24Å; R219-H246 PolarHBondContact NH2-NE2 2.78Å; R219-H246 PolarHBondContact NH2-O 2.95Å; R219-H246 VanDerWaalsContact NH2-O 3.08Å
247	Q	98.2	Very high	98	Very high	58 Å²	58	39.6 Å²	39.6	27%	0.271	20%	0.197	S	C	.	.	S	Bend	trans	-117.3	131.2	174.7	-72.6	174.4	-53.3	0	0	110.2	D206 A245 V249 T263 F265	D206-Q247 WeakPolarHBondContact OD1-CG 3.35Å; D206-Q247 PolarHBondContact OD1-NE2 3.38Å; D206-Q247 PolarHBondContact OD1-OE1 3.41Å; A245-Q247 PolarHBondContact O-N 2.7Å; Q247-V249 PolarHBondContact O-N 2.94Å; Q247-T263 HydrophobicContact CB-CG2 4.23Å; Q247-F265 WeakPolarHBondContact O-CD2 3.47Å
248	V	97.3	Very high	98	Very high	45 Å²	45	47.5 Å²	47.5	27%	0.273	23%	0.225	S	C	.	.			trans	-64.3	126.5	170.2	-175.7	0	0	0	0	108.5	F265 Y270 F274 N276	V248-F265 HydrophobicContact CB-CE2 4.49Å; V248-F265 HydrophobicContact CG2-CD2 4.27Å; V248-F265 HydrophobicContact CG2-CE1 4.03Å; V248-F265 HydrophobicContact CG2-CE2 3.74Å; V248-F265 HydrophobicContact CG2-CZ 3.62Å; V248-Y270 HydrophobicContact CG2-CD1 3.5Å; V248-Y270 VanDerWaalsContact CG2-CD1 3.5Å; V248-Y270 HydrophobicContact CG2-CE1 4Å; V248-Y270 HydrophobicContact CG2-CG 4.15Å; V248-F274 HydrophobicContact CB-CD1 4.48Å; V248-F274 HydrophobicContact CG1-CB 4.34Å; V248-F274 HydrophobicContact CG1-CD1 3.93Å; V248-F274 HydrophobicContact CG1-CE1 4.46Å; V248-F274 HydrophobicContact CG1-CG 4.1Å; V248-N276 HydrophobicContact CG1-CB 3.78Å
249	V	97.3	Very high	97.9	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.048	21%	0.21	C	C	.	.			trans	-127	141.5	177.4	-68.4	0	0	0	0	109.5	Q247 D251 G252 E254 T263 F265 N276	Q247-V249 PolarHBondContact O-N 2.94Å; V249-D251 PolarHBondContact O-N 2.9Å; V249-G252 VanDerWaalsContact CG2-C 3.5Å; V249-G252 PolarHBondContact O-N 3.4Å; V249-G252 VanDerWaalsContact O-N 3.08Å; V249-E254 HydrophobicContact CB-CB 3.91Å; V249-E254 HydrophobicContact CG1-CB 3.65Å; V249-E254 HydrophobicContact CG2-CB 4.42Å; V249-T263 HydrophobicContact CG1-CG2 3.71Å; V249-T263 HydrophobicContact CG2-CG2 4.34Å; V249-F265 HydrophobicContact CG2-CB 4.03Å; V249-N276 WeakPolarHBondContact O-CB 3.1Å
250	E	95.6	Very high	98	Very high	141 Å²	141	47.1 Å²	47.1	66%	0.659	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-49.4	-167	-173.4	178	174.6	0	0	112.9	G252 N276 A277	E250-G252 VanDerWaalsContact C-N 3.29Å; E250-G252 PolarHBondContact O-N 2.87Å; E250-N276 CarbonylContact O-C 3.28Å; E250-N276 VanDerWaalsContact O-CA 3.29Å; E250-N276 WeakPolarHBondContact O-CA 3.18Å; E250-A277 PolarHBondContact O-N 3.41Å
251	D	96.4	Very high	98	Very high	92 Å²	92	44.4 Å²	44.4	49%	0.492	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.5	-177.1	-73.9	-42.7	0	0	0	113.7	V249 F253	V249-D251 PolarHBondContact O-N 2.9Å; D251-F253 HydrophobicContact CB-CD1 4.29Å; D251-F253 HydrophobicContact CB-CE1 4.18Å; D251-F253 PolarHBondContact O-N 3.41Å
252	G	97.6	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	74.2	-6.2	-172.7	0	0	0	0	0	114.2	V249 E250 F265 A277 G279	V249-G252 VanDerWaalsContact CG2-C 3.5Å; V249-G252 PolarHBondContact O-N 3.4Å; V249-G252 VanDerWaalsContact O-N 3.08Å; E250-G252 VanDerWaalsContact C-N 3.29Å; E250-G252 PolarHBondContact O-N 2.87Å; G252-F265 WeakPolarHBondContact CA-O 3.22Å; G252-F265 PolarHBondContact O-N 3.11Å; G252-A277 VanDerWaalsContact CA-O 3.24Å; G252-A277 WeakPolarHBondContact CA-O 3.35Å; G252-A277 PolarHBondContact N-O 2.78Å; G252-G279 WeakPolarHBondContact O-CA 3.45Å; G252-G279 PolarHBondContact O-N 3.2Å
253	F	98.3	Very high	98	Very high	28 Å²	28	44.5 Å²	44.5	12%	0.123	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151	164.1	76.5	-74.6	0	0	0	110.7	D251 F255 V262 T263 L264 F291 I293	D251-F253 HydrophobicContact CB-CD1 4.29Å; D251-F253 HydrophobicContact CB-CE1 4.18Å; D251-F253 PolarHBondContact O-N 3.41Å; F253-F255 HydrophobicContact CD2-CE2 4.41Å; F253-F255 HydrophobicContact CE2-CD2 4.24Å; F253-F255 HydrophobicContact CE2-CE2 4.07Å; F253-V262 HydrophobicContact CB-CG2 4.38Å; F253-V262 HydrophobicContact CD2-CG2 4.48Å; F253-T263 CarbonylContact C-O 3.57Å; F253-T263 WeakPolarHBondContact CA-O 3.24Å; F253-L264 HydrophobicContact CB-CD2 3.67Å; F253-F291 HydrophobicContact CB-CD1 3.74Å; F253-F291 HydrophobicContact CB-CE1 3.93Å; F253-F291 HydrophobicContact CD1-CB 4.05Å; F253-F291 HydrophobicContact CD1-CD1 4.08Å; F253-F291 HydrophobicContact CD1-CG 4.04Å; F253-F291 AromaticContact CD2-CD1 3.72Å; F253-F291 HydrophobicContact CD2-CD1 3.72Å; F253-F291 HydrophobicContact CD2-CD2 4.01Å; F253-F291 AromaticContact CD2-CE1 3.73Å; F253-F291 HydrophobicContact CD2-CE1 3.73Å; F253-F291 HydrophobicContact CD2-CE2 4.03Å; F253-F291 AromaticContact CD2-CG 3.86Å; F253-F291 HydrophobicContact CD2-CG 3.86Å; F253-F291 AromaticContact CD2-CZ 3.9Å; F253-F291 HydrophobicContact CD2-CZ 3.9Å; F253-F291 HydrophobicContact CE1-CB 4.1Å; F253-F291 HydrophobicContact CE1-CG 4.24Å; F253-F291 HydrophobicContact CE2-CD1 4.38Å; F253-F291 AromaticContact CE2-CD2 3.87Å; F253-F291 HydrophobicContact CE2-CD2 3.87Å; F253-F291 HydrophobicContact CE2-CE2 4.05Å; F253-F291 HydrophobicContact CE2-CG 4.06Å; F253-F291 HydrophobicContact CE2-CZ 4.37Å; F253-F291 HydrophobicContact CG-CB 4.36Å; F253-F291 AromaticContact CG-CD1 3.55Å; F253-F291 HydrophobicContact CG-CD1 3.55Å; F253-F291 HydrophobicContact CG-CD2 4.46Å; F253-F291 AromaticContact CG-CE1 3.92Å; F253-F291 HydrophobicContact CG-CE1 3.92Å; F253-F291 AromaticContact CG-CG 3.86Å; F253-F291 HydrophobicContact CG-CG 3.86Å; F253-F291 HydrophobicContact CZ-CB 4.44Å; F253-F291 HydrophobicContact CZ-CD2 4.22Å; F253-F291 HydrophobicContact CZ-CG 4.25Å; F253-I293 HydrophobicContact CD1-CD1 4.44Å; F253-I293 HydrophobicContact CD1-CG1 4.4Å; F253-I293 HydrophobicContact CE1-CD1 3.84Å; F253-I293 HydrophobicContact CE1-CG1 4.24Å
254	E	98.3	Very high	98	Very high	113 Å²	113	44.5 Å²	44.5	53%	0.528	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	134.6	173.4	-171.5	174.2	95.6	0	0	110.8	V249 V262 T263	V249-E254 HydrophobicContact CB-CB 3.91Å; V249-E254 HydrophobicContact CG1-CB 3.65Å; V249-E254 HydrophobicContact CG2-CB 4.42Å; E254-V262 CarbonylContact O-C 3.51Å; E254-V262 WeakPolarHBondContact O-CA 3.42Å; E254-T263 PolarHBondContact N-O 3.45Å; E254-T263 PolarHBondContact O-N 3.36Å
255	F	98.5	Very high	98	Very high	59 Å²	59	44.6 Å²	44.6	26%	0.259	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142.4	175.7	-78.7	-66.2	0	0	0	111.8	F253 R259 L261 V262 F291 A319	F253-F255 HydrophobicContact CD2-CE2 4.41Å; F253-F255 HydrophobicContact CE2-CD2 4.24Å; F253-F255 HydrophobicContact CE2-CE2 4.07Å; F255-R259 HydrophobicContact CB-CB 4.44Å; F255-R259 HydrophobicContact CB-CG 3.97Å; F255-R259 HydrophobicContact CD1-CB 3.64Å; F255-R259 HydrophobicContact CD1-CG 3.87Å; F255-R259 HydrophobicContact CD2-CG 3.97Å; F255-R259 HydrophobicContact CE1-CB 3.91Å; F255-R259 HydrophobicContact CE1-CG 4.29Å; F255-R259 HydrophobicContact CE2-CG 4.39Å; F255-R259 HydrophobicContact CG-CB 4.01Å; F255-R259 HydrophobicContact CG-CG 3.68Å; F255-L261 WeakPolarHBondContact CA-O 3.41Å; F255-V262 HydrophobicContact CD1-CB 3.89Å; F255-V262 HydrophobicContact CD1-CG2 4.09Å; F255-V262 HydrophobicContact CE1-CB 3.94Å; F255-V262 HydrophobicContact CE1-CG2 4.11Å; F255-F291 HydrophobicContact CE1-CZ 4.19Å; F255-F291 AromaticContact CE2-CE2 3.84Å; F255-F291 HydrophobicContact CE2-CE2 3.84Å; F255-F291 HydrophobicContact CE2-CZ 4.08Å; F255-F291 AromaticContact CZ-CE2 3.58Å; F255-F291 HydrophobicContact CZ-CE2 3.58Å; F255-F291 AromaticContact CZ-CZ 3.56Å; F255-F291 HydrophobicContact CZ-CZ 3.56Å; F255-A319 HydrophobicContact CE2-CB 4.31Å; F255-A319 HydrophobicContact CZ-CB 4.16Å
256	F	98.5	Very high	98	Very high	28 Å²	28	44.7 Å²	44.7	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	159.6	173.8	179.9	-100.5	0	0	0	110.7	P207 K209 P227 V230 R258 R259 Q260 L261	P207-F256 HydrophobicContact CB-CD1 3.82Å; P207-F256 HydrophobicContact CB-CD2 4.14Å; P207-F256 HydrophobicContact CB-CE1 3.82Å; P207-F256 HydrophobicContact CB-CE2 4.13Å; P207-F256 HydrophobicContact CB-CG 3.97Å; P207-F256 HydrophobicContact CB-CZ 3.96Å; K209-F256 HydrophobicContact CB-CE2 3.94Å; P227-F256 HydrophobicContact CB-CE1 4.36Å; P227-F256 HydrophobicContact CB-CZ 4.33Å; P227-F256 HydrophobicContact CG-CE1 4.11Å; P227-F256 HydrophobicContact CG-CE2 4.25Å; P227-F256 HydrophobicContact CG-CZ 3.6Å; V230-F256 HydrophobicContact CG2-CD1 4.14Å; V230-F256 HydrophobicContact CG2-CE1 3.88Å; F256-R258 PolarHBondContact O-N 3.42Å; F256-R259 PolarHBondContact O-N 3.36Å; F256-R259 VanDerWaalsContact O-N 3.08Å; F256-Q260 PolarHBondContact O-N 2.89Å; F256-L261 HydrophobicContact CB-CB 4.14Å; F256-L261 HydrophobicContact CB-CD2 3.8Å; F256-L261 HydrophobicContact CD1-CB 4.15Å; F256-L261 HydrophobicContact CD1-CD2 4.5Å; F256-L261 HydrophobicContact CG-CD2 4.49Å; F256-L261 PolarHBondContact N-O 2.89Å; F256-L261 PolarHBondContact O-N 2.91Å
257	C	97.7	Very high	97.9	Very high	15 Å²	15	44.2 Å²	44.2	10%	0.101	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	47.3	60.9	174.9	-172.3	0	0	0	0	113.7	P227 V230 T231 R259 Q260	P227-C257 HydrophobicContact CB-CB 3.99Å; P227-C257 PolarHBondContact O-SG 2.73Å; V230-C257 HydrophobicContact CB-CB 4.24Å; V230-C257 HydrophobicContact CG1-CB 4.04Å; T231-C257 PolarHBondContact OG1-SG 3.37Å; C257-R259 PolarHBondContact O-N 3.43Å; C257-Q260 HydrophobicContact CB-CB 4.33Å; C257-Q260 WeakPolarHBondContact O-CB 3.46Å; C257-Q260 WeakPolarHBondContact O-CG 3.49Å; C257-Q260 PolarHBondContact O-N 3.26Å; C257-Q260 PolarHBondContact O-OE1 3.49Å; C257-Q260 PolarHBondContact SG-OE1 3.1Å
258	R	96.5	Very high	97.8	Very high	207 Å²	207	41.5 Å²	41.5	78%	0.781	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	52.5	40	-179.5	-60.9	177.6	-72.9	-174	-3.8	113.3	F256 Q260	F256-R258 PolarHBondContact O-N 3.42Å; R258-Q260 VanDerWaalsContact C-N 3.29Å; R258-Q260 PolarHBondContact O-N 3.02Å
259	R	97.6	Very high	97.7	Very high	86 Å²	86	41.8 Å²	41.8	33%	0.325	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	69.5	18.4	179.8	-51.4	175.4	56.6	-141.7	-24.1	114.8	L241 F255 F256 C257 A319 R320	L241-R259 WeakPolarHBondContact CD1-O 3.36Å; F255-R259 HydrophobicContact CB-CB 4.44Å; F255-R259 HydrophobicContact CB-CG 3.97Å; F255-R259 HydrophobicContact CD1-CB 3.64Å; F255-R259 HydrophobicContact CD1-CG 3.87Å; F255-R259 HydrophobicContact CD2-CG 3.97Å; F255-R259 HydrophobicContact CE1-CB 3.91Å; F255-R259 HydrophobicContact CE1-CG 4.29Å; F255-R259 HydrophobicContact CE2-CG 4.39Å; F255-R259 HydrophobicContact CG-CB 4.01Å; F255-R259 HydrophobicContact CG-CG 3.68Å; F256-R259 PolarHBondContact O-N 3.36Å; F256-R259 VanDerWaalsContact O-N 3.08Å; C257-R259 PolarHBondContact O-N 3.43Å; R259-A319 VanDerWaalsContact NH2-CA 3.35Å; R259-A319 PolarHBondContact NH2-O 2.88Å; R259-R320 PolarHBondContact NH1-O 2.76Å; R259-R320 PolarHBondContact NH2-O 3.04Å
260	Q	98.5	Very high	97.4	Very high	41 Å²	41	42.3 Å²	42.3	19%	0.192	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.3	173	-70.8	-173.3	-66	0	0	113.4	V230 T231 L234 L241 I242 F256 C257 R258	V230-Q260 HydrophobicContact CG1-CB 3.86Å; T231-Q260 PolarHBondContact OG1-OE1 3.02Å; L234-Q260 HydrophobicContact CD1-CB 3.56Å; L234-Q260 HydrophobicContact CD1-CG 4.01Å; L241-Q260 WeakPolarHBondContact CA-O 3.42Å; I242-Q260 PolarHBondContact N-O 2.99Å; F256-Q260 PolarHBondContact O-N 2.89Å; C257-Q260 HydrophobicContact CB-CB 4.33Å; C257-Q260 WeakPolarHBondContact O-CB 3.46Å; C257-Q260 WeakPolarHBondContact O-CG 3.49Å; C257-Q260 PolarHBondContact O-N 3.26Å; C257-Q260 PolarHBondContact O-OE1 3.49Å; C257-Q260 PolarHBondContact SG-OE1 3.1Å; R258-Q260 VanDerWaalsContact C-N 3.29Å; R258-Q260 PolarHBondContact O-N 3.02Å
261	L	98.8	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.3	169.1	-179.4	154.1	0	0	0	109.1	P207 F225 V230 I242 R244 F255 F256	P207-L261 HydrophobicContact CB-CD1 4.35Å; P207-L261 HydrophobicContact CB-CD2 4.43Å; P207-L261 HydrophobicContact CG-CD2 4.05Å; F225-L261 HydrophobicContact CE2-CD1 3.79Å; F225-L261 HydrophobicContact CZ-CD1 4.05Å; V230-L261 HydrophobicContact CG1-CB 4.27Å; V230-L261 HydrophobicContact CG2-CD1 4.08Å; I242-L261 HydrophobicContact CB-CB 4.12Å; I242-L261 HydrophobicContact CB-CD1 4Å; I242-L261 HydrophobicContact CB-CG 3.94Å; I242-L261 HydrophobicContact CD1-CD1 4.24Å; I242-L261 HydrophobicContact CG2-CD1 3.79Å; I242-L261 HydrophobicContact CG2-CG 4Å; I242-L261 CarbonylContact O-C 3.07Å; I242-L261 VanDerWaalsContact O-CA 3.26Å; I242-L261 WeakPolarHBondContact O-CA 3.46Å; R244-L261 HydrophobicContact CG-CD1 4.29Å; R244-L261 HydrophobicContact CG-CD2 3.99Å; R244-L261 HydrophobicContact CG-CG 4.24Å; F255-L261 WeakPolarHBondContact CA-O 3.41Å; F256-L261 HydrophobicContact CB-CB 4.14Å; F256-L261 HydrophobicContact CB-CD2 3.8Å; F256-L261 HydrophobicContact CD1-CB 4.15Å; F256-L261 HydrophobicContact CD1-CD2 4.5Å; F256-L261 HydrophobicContact CG-CD2 4.49Å; F256-L261 PolarHBondContact N-O 2.89Å; F256-L261 PolarHBondContact O-N 2.91Å
262	V	98.8	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.8	170.9	66.4	0	0	0	0	110.4	L241 I242 C243 R244 F253 E254 F255 L264 M281 F291	L241-V262 HydrophobicContact CD1-CB 4.37Å; L241-V262 HydrophobicContact CD1-CG1 4.08Å; L241-V262 HydrophobicContact CD2-CG1 4.09Å; L241-V262 HydrophobicContact CG-CG1 4.38Å; I242-V262 PolarHBondContact O-N 2.86Å; C243-V262 HydrophobicContact CB-CG1 4.03Å; R244-V262 PolarHBondContact N-O 3.02Å; F253-V262 HydrophobicContact CB-CG2 4.38Å; F253-V262 HydrophobicContact CD2-CG2 4.48Å; E254-V262 CarbonylContact O-C 3.51Å; E254-V262 WeakPolarHBondContact O-CA 3.42Å; F255-V262 HydrophobicContact CD1-CB 3.89Å; F255-V262 HydrophobicContact CD1-CG2 4.09Å; F255-V262 HydrophobicContact CE1-CB 3.94Å; F255-V262 HydrophobicContact CE1-CG2 4.11Å; V262-L264 HydrophobicContact CG2-CD2 4.36Å; V262-M281 HydrophobicContact CG1-CE 4.47Å; V262-M281 HydrophobicContact CG1-SD 4.07Å; V262-F291 HydrophobicContact CG2-CE1 3.85Å; V262-F291 HydrophobicContact CG2-CZ 3.98Å
263	T	98.9	Very high	95.9	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.5	167.7	-62.6	0	0	0	0	108.7	R244 A245 Q247 V249 F253 E254	R244-T263 WeakPolarHBondContact CD-OG1 3.44Å; R244-T263 PolarHBondContact NH1-OG1 2.79Å; R244-T263 CarbonylContact O-C 3.56Å; R244-T263 WeakPolarHBondContact O-CA 3.22Å; A245-T263 WeakPolarHBondContact O-CG2 3.43Å; Q247-T263 HydrophobicContact CB-CG2 4.23Å; V249-T263 HydrophobicContact CG1-CG2 3.71Å; V249-T263 HydrophobicContact CG2-CG2 4.34Å; F253-T263 CarbonylContact C-O 3.57Å; F253-T263 WeakPolarHBondContact CA-O 3.24Å; E254-T263 PolarHBondContact N-O 3.45Å; E254-T263 PolarHBondContact O-N 3.36Å
264	L	98.8	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.5	173.5	-65.7	-179.7	0	0	0	110	I59 L88 C243 R244 A245 F253 V262 M281 F291	I59-L264 HydrophobicContact CB-CD1 4.1Å; I59-L264 HydrophobicContact CG2-CD1 3.96Å; I59-L264 WeakPolarHBondContact O-CD1 3.18Å; L88-L264 HydrophobicContact CD1-CB 4.49Å; L88-L264 HydrophobicContact CD1-CD1 4.33Å; C243-L264 VanDerWaalsContact SG-CD1 3.53Å; R244-L264 PolarHBondContact O-N 2.81Å; A245-L264 WeakPolarHBondContact CA-O 3.33Å; A245-L264 WeakPolarHBondContact CB-O 3.45Å; F253-L264 HydrophobicContact CB-CD2 3.67Å; V262-L264 HydrophobicContact CG2-CD2 4.36Å; L264-M281 HydrophobicContact CD1-CB 3.76Å; L264-M281 HydrophobicContact CD2-CB 4.15Å; L264-F291 HydrophobicContact CD2-CD1 4.08Å; L264-F291 HydrophobicContact CD2-CE1 3.9Å
265	F	98.6	Very high	95.1	Very high	2 Å²	2	47 Å²	47	1%	0.009	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-136	119.2	173.6	-164	-88.8	0	0	0	108.8	D62 Q247 V248 V249 G252 A267 Y270 G278 G279	D62-F265 HydrophobicContact CB-CD2 3.83Å; D62-F265 HydrophobicContact CB-CE2 3.51Å; D62-F265 HydrophobicContact CB-CZ 3.96Å; D62-F265 WeakPolarHBondContact OD2-CE2 3.48Å; Q247-F265 WeakPolarHBondContact O-CD2 3.47Å; V248-F265 HydrophobicContact CB-CE2 4.49Å; V248-F265 HydrophobicContact CG2-CD2 4.27Å; V248-F265 HydrophobicContact CG2-CE1 4.03Å; V248-F265 HydrophobicContact CG2-CE2 3.74Å; V248-F265 HydrophobicContact CG2-CZ 3.62Å; V249-F265 HydrophobicContact CG2-CB 4.03Å; G252-F265 WeakPolarHBondContact CA-O 3.22Å; G252-F265 PolarHBondContact O-N 3.11Å; F265-A267 HydrophobicContact CD1-CB 4.3Å; F265-A267 HydrophobicContact CE1-CB 3.63Å; F265-A267 VanDerWaalsContact CE1-O 3.27Å; F265-A267 WeakPolarHBondContact CE1-O 3.32Å; F265-A267 HydrophobicContact CZ-CB 4.27Å; F265-Y270 AromaticContact CE1-CD2 3.94Å; F265-Y270 HydrophobicContact CE1-CD2 3.94Å; F265-Y270 AromaticContact CE1-CG 3.85Å; F265-Y270 HydrophobicContact CE1-CG 3.85Å; F265-Y270 HydrophobicContact CZ-CD1 4.06Å; F265-Y270 AromaticContact CZ-CD2 3.66Å; F265-Y270 HydrophobicContact CZ-CD2 3.66Å; F265-Y270 HydrophobicContact CZ-CE1 4.33Å; F265-Y270 AromaticContact CZ-CE2 3.96Å; F265-Y270 HydrophobicContact CZ-CE2 3.96Å; F265-Y270 AromaticContact CZ-CG 3.7Å; F265-Y270 HydrophobicContact CZ-CG 3.7Å; F265-G278 CarbonylContact O-C 3.28Å; F265-G278 VanDerWaalsContact O-CA 3.27Å; F265-G278 WeakPolarHBondContact O-CA 3.44Å; F265-G279 PolarHBondContact O-N 2.91Å
266	S	98.6	Very high	95	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	22%	0.216	C	C	.	.			trans	-103.2	-0.9	-166.6	-62.1	0	0	0	0	114.3	G61 D62 P268 G279	G61-S266 PolarHBondContact N-OG 3.28Å; D62-S266 CarbonylContact O-C 3.57Å; D62-S266 VanDerWaalsContact O-C 3.28Å; D62-S266 WeakPolarHBondContact O-CA 3.41Å; D62-S266 WeakPolarHBondContact O-CB 3.08Å; D62-S266 PolarHBondContact O-N 2.74Å; D62-S266 VanDerWaalsContact O-N 3.14Å; S266-P268 WeakPolarHBondContact O-CD 3.21Å; S266-G279 PolarHBondContact OG-O 2.9Å
267	A	97.4	Very high	95	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	21%	0.214	C	C	.	.			trans	-97	97.8	177	0	0	0	0	0	111.3	D62 Q66 F265 Y270 N276	D62-A267 PolarHBondContact O-N 3.49Å; Q66-A267 HydrophobicContact CG-CB 4.35Å; F265-A267 HydrophobicContact CD1-CB 4.3Å; F265-A267 HydrophobicContact CE1-CB 3.63Å; F265-A267 VanDerWaalsContact CE1-O 3.27Å; F265-A267 WeakPolarHBondContact CE1-O 3.32Å; F265-A267 HydrophobicContact CZ-CB 4.27Å; A267-Y270 HydrophobicContact CB-CD2 4.25Å; A267-N276 PolarHBondContact O-ND2 2.92Å
268	P	96.3	Very high	94.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.013	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	148.1	178.2	28.6	-35.5	0	0	0	111.8	Q66 D69 S266 Y270 N276 L294 P296	Q66-P268 PolarHBondContact NE2-O 2.8Å; D69-P268 HydrophobicContact CB-CG 4Å; S266-P268 WeakPolarHBondContact O-CD 3.21Å; P268-Y270 VanDerWaalsContact C-N 3.27Å; P268-Y270 PolarHBondContact O-N 3.42Å; P268-N276 CarbonylContact C-O 3.51Å; P268-N276 WeakPolarHBondContact CA-O 3.27Å; P268-L294 HydrophobicContact CG-CD2 4.08Å; P268-L294 HydrophobicContact CG-CG 4.44Å; P268-P296 HydrophobicContact CB-CG 4.37Å
269	N	94	Very high	94.9	Very high	51 Å²	51	33 Å²	33	27%	0.273	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	52.7	-179.1	169.8	86.7	0	0	0	110.9	C271 G272 F274 N276 P296	N269-C271 PolarHBondContact O-N 3.03Å; N269-G272 PolarHBondContact O-N 2.74Å; N269-F274 WeakPolarHBondContact CA-O 3.49Å; N269-F274 PolarHBondContact OD1-O 2.91Å; N269-F274 VanDerWaalsContact OD1-O 3.06Å; N269-N276 PolarHBondContact N-O 2.94Å; N269-N276 PolarHBondContact N-OD1 3.3Å; N269-P296 HydrophobicContact CB-CB 3.87Å; N269-P296 HydrophobicContact CB-CG 3.99Å
270	Y	92.8	Very high	95	Very high	18 Å²	18	29 Å²	29	7%	0.071	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-52.5	131.8	-170.8	-179.6	-124	0	0	0	111.5	H64 R94 V248 F265 A267 P268 G272 E273 F274 N276	H64-Y270 HydrophobicContact CB-CE2 3.74Å; H64-Y270 AromaticContact CD2-CE2 3.21Å; H64-Y270 WeakPolarHBondContact CD2-CE2 3.41Å; H64-Y270 AromaticContact CD2-CZ 3.55Å; H64-Y270 PolarHBondContact CD2-OH 3.32Å; H64-Y270 VanDerWaalsContact CD2-OH 3.25Å; H64-Y270 AromaticContact CG-CE2 3.67Å; H64-Y270 AromaticContact NE2-CE2 3.95Å; H64-Y270 AromaticContact NE2-CZ 3.79Å; H64-Y270 PolarHBondContact NE2-OH 3.46Å; R94-Y270 HydrophobicContact CB-CE2 4.3Å; R94-Y270 WeakPolarHBondContact CG-OH 3.27Å; V248-Y270 HydrophobicContact CG2-CD1 3.5Å; V248-Y270 VanDerWaalsContact CG2-CD1 3.5Å; V248-Y270 HydrophobicContact CG2-CE1 4Å; V248-Y270 HydrophobicContact CG2-CG 4.15Å; F265-Y270 AromaticContact CE1-CD2 3.94Å; F265-Y270 HydrophobicContact CE1-CD2 3.94Å; F265-Y270 AromaticContact CE1-CG 3.85Å; F265-Y270 HydrophobicContact CE1-CG 3.85Å; F265-Y270 HydrophobicContact CZ-CD1 4.06Å; F265-Y270 AromaticContact CZ-CD2 3.66Å; F265-Y270 HydrophobicContact CZ-CD2 3.66Å; F265-Y270 HydrophobicContact CZ-CE1 4.33Å; F265-Y270 AromaticContact CZ-CE2 3.96Å; F265-Y270 HydrophobicContact CZ-CE2 3.96Å; F265-Y270 AromaticContact CZ-CG 3.7Å; F265-Y270 HydrophobicContact CZ-CG 3.7Å; A267-Y270 HydrophobicContact CB-CD2 4.25Å; P268-Y270 VanDerWaalsContact C-N 3.27Å; P268-Y270 PolarHBondContact O-N 3.42Å; Y270-G272 PolarHBondContact O-N 3.21Å; Y270-E273 PolarHBondContact O-N 3.38Å; Y270-F274 AromaticContact CD1-CD2 3.71Å; Y270-F274 HydrophobicContact CD1-CD2 3.71Å; Y270-F274 AromaticContact CD1-CE2 3.74Å; Y270-F274 HydrophobicContact CD1-CE2 3.74Å; Y270-F274 HydrophobicContact CE1-CE2 4.38Å; Y270-F274 HydrophobicContact CG-CD2 4.33Å; Y270-F274 WeakPolarHBondContact O-CD2 3.29Å; Y270-F274 PolarHBondContact O-N 3.01Å; Y270-N276 PolarHBondContact N-OD1 2.98Å
271	C	86	Confident	95	Very high	44 Å²	44	27.1 Å²	27.1	30%	0.297	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	55.3	2.8	-175	-62.4	0	0	0	0	115.8	N269 E273	N269-C271 PolarHBondContact O-N 3.03Å; C271-E273 HydrophobicContact CB-CB 4.41Å; C271-E273 HydrophobicContact CB-CG 4.19Å
272	G	85.7	Confident	94.9	Very high	41 Å²	41	27.9 Å²	27.9	42%	0.423	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	70.9	12.9	-166.9	0	0	0	0	0	114.8	N269 Y270	N269-G272 PolarHBondContact O-N 2.74Å; Y270-G272 PolarHBondContact O-N 3.21Å
273	E	85.7	Confident	94.9	Very high	160 Å²	160	28 Å²	28	75%	0.748	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-26.4	-176.2	-64.9	180	175.4	0	0	112.2	Y270 C271	Y270-E273 PolarHBondContact O-N 3.38Å; C271-E273 HydrophobicContact CB-CB 4.41Å; C271-E273 HydrophobicContact CB-CG 4.19Å
274	F	88.2	Confident	94.9	Very high	94 Å²	94	30.9 Å²	30.9	41%	0.412	17%	0.171	S	C	.	.			trans	-102.9	156.7	175.7	-61.4	-96.3	0	0	0	110.3	V248 N269 Y270 N276	V248-F274 HydrophobicContact CB-CD1 4.48Å; V248-F274 HydrophobicContact CG1-CB 4.34Å; V248-F274 HydrophobicContact CG1-CD1 3.93Å; V248-F274 HydrophobicContact CG1-CE1 4.46Å; V248-F274 HydrophobicContact CG1-CG 4.1Å; N269-F274 WeakPolarHBondContact CA-O 3.49Å; N269-F274 PolarHBondContact OD1-O 2.91Å; N269-F274 VanDerWaalsContact OD1-O 3.06Å; Y270-F274 AromaticContact CD1-CD2 3.71Å; Y270-F274 HydrophobicContact CD1-CD2 3.71Å; Y270-F274 AromaticContact CD1-CE2 3.74Å; Y270-F274 HydrophobicContact CD1-CE2 3.74Å; Y270-F274 HydrophobicContact CE1-CE2 4.38Å; Y270-F274 HydrophobicContact CG-CD2 4.33Å; Y270-F274 WeakPolarHBondContact O-CD2 3.29Å; Y270-F274 PolarHBondContact O-N 3.01Å; F274-N276 HydrophobicContact CB-CB 4.5Å; F274-N276 VanDerWaalsContact CB-OD1 3.32Å; F274-N276 WeakPolarHBondContact CB-OD1 3.41Å
275	D	92.3	Very high	94.7	Very high	135 Å²	135	38.2 Å²	38.2	72%	0.722	21%	0.205	S	C	*	.			trans	-103.2	12.7	173.9	58.8	-11.7	0	0	0	113
276	N	96.6	Very high	94.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.011	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62	150.6	-177.9	74.6	-69.9	0	0	0	113.4	V248 V249 E250 A267 P268 N269 Y270 F274 P296	V248-N276 HydrophobicContact CG1-CB 3.78Å; V249-N276 WeakPolarHBondContact O-CB 3.1Å; E250-N276 CarbonylContact O-C 3.28Å; E250-N276 VanDerWaalsContact O-CA 3.29Å; E250-N276 WeakPolarHBondContact O-CA 3.18Å; A267-N276 PolarHBondContact O-ND2 2.92Å; P268-N276 CarbonylContact C-O 3.51Å; P268-N276 WeakPolarHBondContact CA-O 3.27Å; N269-N276 PolarHBondContact N-O 2.94Å; N269-N276 PolarHBondContact N-OD1 3.3Å; Y270-N276 PolarHBondContact N-OD1 2.98Å; F274-N276 HydrophobicContact CB-CB 4.5Å; F274-N276 VanDerWaalsContact CB-OD1 3.32Å; F274-N276 WeakPolarHBondContact CB-OD1 3.41Å; N276-P296 WeakPolarHBondContact O-CG 3.39Å
277	A	96.6	Very high	94.5	Very high	9 Å²	9	46.3 Å²	46.3	7%	0.074	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-81.5	166	163.5	0	0	0	0	0	111.7	E250 G252 I293	E250-A277 PolarHBondContact O-N 3.41Å; G252-A277 VanDerWaalsContact CA-O 3.24Å; G252-A277 WeakPolarHBondContact CA-O 3.35Å; G252-A277 PolarHBondContact N-O 2.78Å; A277-I293 HydrophobicContact CB-CG2 3.49Å; A277-I293 VanDerWaalsContact CB-CG2 3.49Å
278	G	97.2	Very high	94.4	Very high	2 Å²	2	48 Å²	48	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.3	166.6	0	0	0	0	0	110.2	F265 I293 L294	F265-G278 CarbonylContact O-C 3.28Å; F265-G278 VanDerWaalsContact O-CA 3.27Å; F265-G278 WeakPolarHBondContact O-CA 3.44Å; G278-I293 CarbonylContact O-C 3.45Å; G278-I293 WeakPolarHBondContact O-CA 3.41Å; G278-L294 PolarHBondContact N-O 2.74Å; G278-L294 PolarHBondContact O-N 2.98Å
279	G	96.2	Very high	94.5	Very high	1 Å²	1	48 Å²	48	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.6	178.2	0	0	0	0	0	112.7	G252 F265 S266	G252-G279 WeakPolarHBondContact O-CA 3.45Å; G252-G279 PolarHBondContact O-N 3.2Å; F265-G279 PolarHBondContact O-N 2.91Å; S266-G279 PolarHBondContact OG-O 2.9Å
280	M	98.3	Very high	94.6	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130.8	170	166.7	175.8	38.5	0	0	108.4	K58 I59 L73 Y85 F291 Q292	K58-M280 HydrophobicContact CB-CG 4.1Å; K58-M280 HydrophobicContact CB-SD 3.75Å; K58-M280 HydrophobicContact CD-SD 3.78Å; K58-M280 HydrophobicContact CG-SD 4.13Å; I59-M280 WeakPolarHBondContact O-CA 3.27Å; L73-M280 HydrophobicContact CD2-CE 3.9Å; L73-M280 HydrophobicContact CD2-SD 3.71Å; L73-M280 HydrophobicContact CG-CE 3.92Å; L73-M280 HydrophobicContact CG-SD 4.25Å; Y85-M280 HydrophobicContact CE1-SD 3.73Å; M280-F291 WeakPolarHBondContact O-CA 3.17Å; M280-Q292 HydrophobicContact CB-CB 4.43Å; M280-Q292 HydrophobicContact CE-CB 4.1Å; M280-Q292 PolarHBondContact N-O 3.32Å; M280-Q292 PolarHBondContact O-N 3.06Å
281	M	98.6	Very high	94.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.2	177.7	-173	171.5	71.4	0	0	109.9	K58 I59 L241 C243 V262 L264 V283 C289 S290 F291	K58-M281 CarbonylContact C-O 3.58Å; K58-M281 WeakPolarHBondContact CA-O 3.29Å; I59-M281 HydrophobicContact CB-CB 4.47Å; I59-M281 HydrophobicContact CB-CE 4.5Å; I59-M281 HydrophobicContact CD1-CE 3.71Å; I59-M281 HydrophobicContact CG1-CE 4.38Å; I59-M281 PolarHBondContact N-O 3.25Å; I59-M281 PolarHBondContact O-N 3.04Å; L241-M281 HydrophobicContact CD2-CE 4.21Å; L241-M281 HydrophobicContact CD2-SD 4.27Å; C243-M281 HydrophobicContact CB-CE 4.06Å; C243-M281 VanDerWaalsContact SG-CE 3.58Å; V262-M281 HydrophobicContact CG1-CE 4.47Å; V262-M281 HydrophobicContact CG1-SD 4.07Å; L264-M281 HydrophobicContact CD1-CB 3.76Å; L264-M281 HydrophobicContact CD2-CB 4.15Å; M281-V283 HydrophobicContact CE-CG2 3.89Å; M281-V283 HydrophobicContact CG-CG2 4.38Å; M281-C289 HydrophobicContact CG-CB 4.11Å; M281-C289 HydrophobicContact SD-CB 3.9Å; M281-S290 CarbonylContact C-O 3.47Å; M281-S290 WeakPolarHBondContact CA-O 3.22Å; M281-F291 HydrophobicContact CB-CD1 4.09Å; M281-F291 HydrophobicContact CB-CE1 3.91Å; M281-F291 HydrophobicContact CG-CD1 4.24Å; M281-F291 HydrophobicContact CG-CE1 3.78Å; M281-F291 HydrophobicContact CG-CZ 4.18Å; M281-F291 HydrophobicContact SD-CE1 3.82Å; M281-F291 HydrophobicContact SD-CZ 3.91Å
282	S	98.5	Very high	95.3	Very high	17 Å²	17	46.4 Å²	46.4	12%	0.119	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.1	168.5	-59.6	0	0	0	0	109.3	K58 C289 S290 Q292	K58-S282 PolarHBondContact NZ-OG 3.05Å; S282-C289 WeakPolarHBondContact O-CA 3.46Å; S282-S290 PolarHBondContact N-O 2.83Å; S282-S290 PolarHBondContact O-N 3.07Å; S282-Q292 PolarHBondContact OG-OE1 3.09Å
283	V	98.4	Very high	95.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.8	173.2	-172.6	0	0	0	0	107.2	A55 P56 L57 I59 I167 M281 L287	A55-V283 HydrophobicContact CB-CG1 3.99Å; P56-V283 VanDerWaalsContact CA-O 3.24Å; P56-V283 WeakPolarHBondContact CA-O 3.31Å; L57-V283 HydrophobicContact CD2-CB 3.98Å; L57-V283 HydrophobicContact CD2-CG1 4.48Å; L57-V283 HydrophobicContact CD2-CG2 4.4Å; L57-V283 PolarHBondContact N-O 2.99Å; L57-V283 PolarHBondContact O-N 3.3Å; I59-V283 HydrophobicContact CD1-CG2 4.14Å; I59-V283 HydrophobicContact CG1-CG2 4.46Å; I167-V283 HydrophobicContact CD1-CG1 3.98Å; I167-V283 HydrophobicContact CD1-CG2 4.08Å; M281-V283 HydrophobicContact CE-CG2 3.89Å; M281-V283 HydrophobicContact CG-CG2 4.38Å; V283-L287 HydrophobicContact CG1-CD2 3.68Å
284	D	97.6	Very high	96.1	Very high	63 Å²	63	40.2 Å²	40.2	34%	0.337	21%	0.212	S	C	.	.			trans	-87.9	174.6	176.3	75.1	11.6	0	0	0	112.6	A55 N286 L287 T288	A55-D284 WeakPolarHBondContact CB-O 3.11Å; D284-N286 PolarHBondContact O-N 3.03Å; D284-N286 WeakPolarHBondContact OD1-CA 3.39Å; D284-N286 PolarHBondContact OD1-N 2.9Å; D284-L287 WeakPolarHBondContact O-CA 3.31Å; D284-L287 PolarHBondContact O-N 2.93Å; D284-L287 PolarHBondContact OD1-N 3Å; D284-T288 PolarHBondContact N-O 3.19Å; D284-T288 WeakPolarHBondContact OD1-CB 3.28Å; D284-T288 PolarHBondContact OD1-N 3.33Å; D284-T288 WeakPolarHBondContact OD2-CB 3.48Å
285	E	96.3	Very high	96.2	Very high	153 Å²	153	43.1 Å²	43.1	72%	0.715	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.6	-180	-67.3	173.3	-172.4	0	0	114.2	P56	P56-E285 HydrophobicContact CG-CG 4.3Å
286	N	96.3	Very high	96	Very high	135 Å²	135	39 Å²	39	72%	0.722	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	15.3	176.7	-57.8	-66.8	0	0	0	112	D284 T288	D284-N286 PolarHBondContact O-N 3.03Å; D284-N286 WeakPolarHBondContact OD1-CA 3.39Å; D284-N286 PolarHBondContact OD1-N 2.9Å; N286-T288 PolarHBondContact O-N 3.33Å; N286-T288 VanDerWaalsContact O-N 3.13Å
287	L	94.9	Very high	95	Very high	39 Å²	39	42.6 Å²	42.6	20%	0.204	23%	0.23	C	C	.	.			trans	57.4	21.4	-174.2	-63.9	177.8	0	0	0	114.6	A55 V163 D164 K166 I167 V283 D284 C289	A55-L287 HydrophobicContact CB-CD2 4.25Å; V163-L287 HydrophobicContact CG1-CD2 4.43Å; D164-L287 HydrophobicContact CB-CD1 4.04Å; D164-L287 HydrophobicContact CB-CD2 3.9Å; D164-L287 HydrophobicContact CB-CG 4.36Å; K166-L287 HydrophobicContact CB-CD1 3.84Å; K166-L287 HydrophobicContact CG-CD1 3.87Å; I167-L287 HydrophobicContact CD1-CD2 4.37Å; V283-L287 HydrophobicContact CG1-CD2 3.68Å; D284-L287 WeakPolarHBondContact O-CA 3.31Å; D284-L287 PolarHBondContact O-N 2.93Å; D284-L287 PolarHBondContact OD1-N 3Å; L287-C289 PolarHBondContact O-N 3.26Å
288	T	96.5	Very high	93.6	Very high	37 Å²	37	51 Å²	51	23%	0.227	27%	0.268	C	S	.	.			trans	-74.9	120.2	172.3	-59.5	0	0	0	0	109.2	D284 N286	D284-T288 PolarHBondContact N-O 3.19Å; D284-T288 WeakPolarHBondContact OD1-CB 3.28Å; D284-T288 PolarHBondContact OD1-N 3.33Å; D284-T288 WeakPolarHBondContact OD2-CB 3.48Å; N286-T288 PolarHBondContact O-N 3.33Å; N286-T288 VanDerWaalsContact O-N 3.13Å
289	C	97.5	Very high	91.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.1	177.9	-66.6	0	0	0	0	111.1	M281 S282 L287 A319 I321	M281-C289 HydrophobicContact CG-CB 4.11Å; M281-C289 HydrophobicContact SD-CB 3.9Å; S282-C289 WeakPolarHBondContact O-CA 3.46Å; L287-C289 PolarHBondContact O-N 3.26Å; C289-A319 PolarHBondContact O-N 2.99Å; C289-I321 HydrophobicContact CB-CD1 4.38Å; C289-I321 VanDerWaalsContact SG-CD1 3.59Å
290	S	97.3	Very high	89	Confident	41 Å²	41	68.5 Å²	68.5	29%	0.287	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151	172.6	61.2	0	0	0	0	110.5	M281 S282	M281-S290 CarbonylContact C-O 3.47Å; M281-S290 WeakPolarHBondContact CA-O 3.22Å; S282-S290 PolarHBondContact N-O 2.83Å; S282-S290 PolarHBondContact O-N 3.07Å
291	F	97.5	Very high	85.9	Confident	9 Å²	9	72.3 Å²	72.3	4%	0.039	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.4	-174.6	-59.5	-87.5	0	0	0	111.5	F253 F255 V262 L264 M280 M281 A319	F253-F291 HydrophobicContact CB-CD1 3.74Å; F253-F291 HydrophobicContact CB-CE1 3.93Å; F253-F291 HydrophobicContact CD1-CB 4.05Å; F253-F291 HydrophobicContact CD1-CD1 4.08Å; F253-F291 HydrophobicContact CD1-CG 4.04Å; F253-F291 AromaticContact CD2-CD1 3.72Å; F253-F291 HydrophobicContact CD2-CD1 3.72Å; F253-F291 HydrophobicContact CD2-CD2 4.01Å; F253-F291 AromaticContact CD2-CE1 3.73Å; F253-F291 HydrophobicContact CD2-CE1 3.73Å; F253-F291 HydrophobicContact CD2-CE2 4.03Å; F253-F291 AromaticContact CD2-CG 3.86Å; F253-F291 HydrophobicContact CD2-CG 3.86Å; F253-F291 AromaticContact CD2-CZ 3.9Å; F253-F291 HydrophobicContact CD2-CZ 3.9Å; F253-F291 HydrophobicContact CE1-CB 4.1Å; F253-F291 HydrophobicContact CE1-CG 4.24Å; F253-F291 HydrophobicContact CE2-CD1 4.38Å; F253-F291 AromaticContact CE2-CD2 3.87Å; F253-F291 HydrophobicContact CE2-CD2 3.87Å; F253-F291 HydrophobicContact CE2-CE2 4.05Å; F253-F291 HydrophobicContact CE2-CG 4.06Å; F253-F291 HydrophobicContact CE2-CZ 4.37Å; F253-F291 HydrophobicContact CG-CB 4.36Å; F253-F291 AromaticContact CG-CD1 3.55Å; F253-F291 HydrophobicContact CG-CD1 3.55Å; F253-F291 HydrophobicContact CG-CD2 4.46Å; F253-F291 AromaticContact CG-CE1 3.92Å; F253-F291 HydrophobicContact CG-CE1 3.92Å; F253-F291 AromaticContact CG-CG 3.86Å; F253-F291 HydrophobicContact CG-CG 3.86Å; F253-F291 HydrophobicContact CZ-CB 4.44Å; F253-F291 HydrophobicContact CZ-CD2 4.22Å; F253-F291 HydrophobicContact CZ-CG 4.25Å; F255-F291 HydrophobicContact CE1-CZ 4.19Å; F255-F291 AromaticContact CE2-CE2 3.84Å; F255-F291 HydrophobicContact CE2-CE2 3.84Å; F255-F291 HydrophobicContact CE2-CZ 4.08Å; F255-F291 AromaticContact CZ-CE2 3.58Å; F255-F291 HydrophobicContact CZ-CE2 3.58Å; F255-F291 AromaticContact CZ-CZ 3.56Å; F255-F291 HydrophobicContact CZ-CZ 3.56Å; V262-F291 HydrophobicContact CG2-CE1 3.85Å; V262-F291 HydrophobicContact CG2-CZ 3.98Å; L264-F291 HydrophobicContact CD2-CD1 4.08Å; L264-F291 HydrophobicContact CD2-CE1 3.9Å; M280-F291 WeakPolarHBondContact O-CA 3.17Å; M281-F291 HydrophobicContact CB-CD1 4.09Å; M281-F291 HydrophobicContact CB-CE1 3.91Å; M281-F291 HydrophobicContact CG-CD1 4.24Å; M281-F291 HydrophobicContact CG-CE1 3.78Å; M281-F291 HydrophobicContact CG-CZ 4.18Å; M281-F291 HydrophobicContact SD-CE1 3.82Å; M281-F291 HydrophobicContact SD-CZ 3.91Å; F291-A319 HydrophobicContact CE2-CB 4.11Å
292	Q	95	Very high	82.9	Confident	29 Å²	29	81.4 Å²	81.4	14%	0.136	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.2	171.2	-70.4	-173.2	-73	0	0	108.1	Y76 M280 S282	Y76-Q292 HydrophobicContact CD1-CB 3.89Å; Y76-Q292 HydrophobicContact CD1-CG 4.47Å; Y76-Q292 HydrophobicContact CE1-CB 3.58Å; Y76-Q292 HydrophobicContact CE1-CG 4.08Å; Y76-Q292 PolarHBondContact O-NE2 3.41Å; M280-Q292 HydrophobicContact CB-CB 4.43Å; M280-Q292 HydrophobicContact CE-CB 4.1Å; M280-Q292 PolarHBondContact N-O 3.32Å; M280-Q292 PolarHBondContact O-N 3.06Å; S282-Q292 PolarHBondContact OG-OE1 3.09Å
293	I	95.3	Very high	79.8	Confident	49 Å²	49	90.9 Å²	90.9	25%	0.251	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.2	-176.2	-54	171.5	0	0	0	110	F253 A277 G278	F253-I293 HydrophobicContact CD1-CD1 4.44Å; F253-I293 HydrophobicContact CD1-CG1 4.4Å; F253-I293 HydrophobicContact CE1-CD1 3.84Å; F253-I293 HydrophobicContact CE1-CG1 4.24Å; A277-I293 HydrophobicContact CB-CG2 3.49Å; A277-I293 VanDerWaalsContact CB-CG2 3.49Å; G278-I293 CarbonylContact O-C 3.45Å; G278-I293 WeakPolarHBondContact O-CA 3.41Å
294	L	93	Very high	76.8	Confident	22 Å²	22	100.1 Å²	100.1	12%	0.115	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	101.8	172.8	-172.9	68.2	0	0	0	109.4	D69 R72 P268 G278	D69-L294 HydrophobicContact CB-CD2 4.35Å; R72-L294 HydrophobicContact CB-CD1 4.09Å; R72-L294 HydrophobicContact CB-CD2 3.94Å; P268-L294 HydrophobicContact CG-CD2 4.08Å; P268-L294 HydrophobicContact CG-CG 4.44Å; G278-L294 PolarHBondContact N-O 2.74Å; G278-L294 PolarHBondContact O-N 2.98Å
295	K	91	Very high	73.7	Confident	154 Å²	154	107.2 Å²	107.2	67%	0.67	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-66.7	150.5	175.4	-67	-173.4	176.3	-173.4	0	111.5	R72 S297	R72-K295 PolarHBondContact NH2-O 3.32Å; K295-S297 PolarHBondContact O-N 2.94Å
296	P	86.4	Confident	70.7	Confident	48 Å²	48	108.4 Å²	108.4	31%	0.312	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-48.9	137.1	169.8	-27.8	36.1	0	0	0	111.1	P268 N269 N276 E298	P268-P296 HydrophobicContact CB-CG 4.37Å; N269-P296 HydrophobicContact CB-CB 3.87Å; N269-P296 HydrophobicContact CB-CG 3.99Å; N276-P296 WeakPolarHBondContact O-CG 3.39Å; P296-E298 PolarHBondContact O-N 2.92Å
297	S	77.3	Confident	67.9	Low	79 Å²	79	105.8 Å²	105.8	55%	0.552	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-64.7	127.5	171.6	54	0	0	0	0	108.8	K295 K299	K295-S297 PolarHBondContact O-N 2.94Å; S297-K299 PolarHBondContact O-N 2.87Å; S297-K299 VanDerWaalsContact O-N 3.07Å
298	E	66.2	Low	65	Low	185 Å²	185	110.2 Å²	110.2	86%	0.864	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-52.1	120.5	173.4	-69.3	-177.8	179.5	0	0	109.2	P296 K300	P296-E298 PolarHBondContact O-N 2.92Å; E298-K300 PolarHBondContact O-N 2.83Å
299	K	56.3	Low	62.2	Low	166 Å²	166	115.8 Å²	115.8	72%	0.722	58%	0.583	S	S	*	*			trans	-59.9	105.3	167.2	-72.9	177.8	-177.1	167.4	0	105.2	S297 A301	S297-K299 PolarHBondContact O-N 2.87Å; S297-K299 VanDerWaalsContact O-N 3.07Å; K299-A301 PolarHBondContact O-N 3.38Å
300	K	41.2	Very low	59.2	Low	205 Å²	205	121.2 Å²	121.2	89%	0.891	62%	0.616	S	S	*	*			trans	-49.9	105.9	171.7	-81.4	-170.4	177.7	-178.5	0	107.2	E298 K302	E298-K300 PolarHBondContact O-N 2.83Å; K300-K302 PolarHBondContact O-N 2.91Å
301	A	33.3	Very low	56.4	Low	82 Å²	82	125.7 Å²	125.7	68%	0.678	64%	0.642	S	S	*	*			trans	-56	117.3	177.5	0	0	0	0	0	106.7	K299 Y303	K299-A301 PolarHBondContact O-N 3.38Å; A301-Y303 PolarHBondContact O-N 3.23Å
302	K	34.1	Very low	53.3	Low	191 Å²	191	128.9 Å²	128.9	83%	0.83	68%	0.677	S	S	*	*	S	Bend	trans	-60.4	113.1	165.1	-78.9	-178.7	173.7	179.9	0	105.7	K300	K300-K302 PolarHBondContact O-N 2.91Å
303	Y	33.5	Very low	50.6	Low	217 Å²	217	135.2 Å²	135.2	85%	0.851	71%	0.712	S	S	*	*	S	Bend	trans	73	96	176.3	-53.2	-85.1	0	0	0	116.2	A301	A301-Y303 PolarHBondContact O-N 3.23Å
304	Q	35.5	Very low	47.9	Very low	196 Å²	196	141 Å²	141	92%	0.916	74%	0.738	S	S	*	*			trans	-165	143.5	136.3	-107.5	167.6	14.9	0	0	112.2
305	Y	34.1	Very low	45.5	Very low	212 Å²	212	143.2 Å²	143.2	83%	0.831	76%	0.759	S	S	*	*			trans	-69.8	145.6	-168.9	-110.1	-110.9	0	0	0	114.3
306	Q	33.5	Very low	43	Very low	179 Å²	179	145.6 Å²	145.6	84%	0.836	76%	0.764	S	S	*	*			trans	18.5	118.9	151.8	-67.4	177.7	-17.9	0	0	119.5
307	G	36.6	Very low	40.9	Very low	79 Å²	79	148.6 Å²	148.6	81%	0.814	78%	0.777	S	S	*	*			trans	-178.9	114.5	161	0	0	0	0	0	112.6
308	V	34.7	Very low	39.1	Very low	132 Å²	132	150 Å²	150	80%	0.8	78%	0.784	S	S	*	*			trans	-76.1	132.5	-176	-175.7	0	0	0	0	110.9
309	N	36.1	Very low	38.1	Very low	154 Å²	154	141.6 Å²	141.6	82%	0.824	75%	0.747	S	S	*	*				173.3	143.1	126.5	-90.1	-27.9	0	0	0	115.1
310	T	34.9	Very low	37.2	Very low	116 Å²	116	143.4 Å²	143.4	71%	0.712	75%	0.749	S	S	*	*			trans	-70.7	143.6	-179.9	46.7	0	0	0	0	115
311	T	39	Very low	37.4	Very low	136 Å²	136	135.2 Å²	135.2	83%	0.834	71%	0.714	S	S	*	*				166.5	131.7	110.4	43.2	0	0	0	0	110.9
312	G	31.8	Very low	37.6	Very low	75 Å²	75	139.5 Å²	139.5	77%	0.773	74%	0.735	S	S	*	*			trans	-83.6	143.4	176.2	0	0	0	0	0	112
313	N	39.5	Very low	37.8	Very low	163 Å²	163	136.9 Å²	136.9	87%	0.872	73%	0.73	S	S	*	*			trans	-119.3	115.9	168.6	-92.5	-13.6	0	0	0	109.7
314	Q	37.8	Very low	38	Very low	169 Å²	169	132.7 Å²	132.7	79%	0.79	72%	0.724	S	S	*	*			trans	-83	126	169.1	-68.1	176.7	-5.2	0	0	108.6
315	A	42.3	Very low	38.1	Very low	69 Å²	69	129.2 Å²	129.2	57%	0.57	71%	0.713	S	S	*	*			trans	-105.5	107.2	165.2	0	0	0	0	0	108.3
316	R	39.3	Very low	38.4	Very low	205 Å²	205	124.3 Å²	124.3	77%	0.774	71%	0.706	S	S	*	*			trans	-97.5	111.7	159.1	-78.8	-174.9	179.6	-162.9	-0.6	106.2	P318	R316-P318 WeakPolarHBondContact O-CD 3.31Å
317	L	41.5	Very low	38.7	Very low	111 Å²	111	120.9 Å²	120.9	58%	0.581	70%	0.698	S	S	*	*			trans	-98.2	107.2	169.1	-71.7	169.2	0	0	0	107.8	A319	L317-A319 PolarHBondContact O-N 3.19Å
318	P	40.2	Very low	38.8	Very low	107 Å²	107	123.7 Å²	123.7	70%	0.695	69%	0.69	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.4	124.8	169	28.1	-30.4	0	0	0	108.2	R316	R316-P318 WeakPolarHBondContact O-CD 3.31Å
319	A	44.5	Very low	39.1	Very low	10 Å²	10	123.1 Å²	123.1	8%	0.083	68%	0.683	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	88.1	179	0	0	0	0	0	107	F255 R259 C289 F291 L317 I321	F255-A319 HydrophobicContact CE2-CB 4.31Å; F255-A319 HydrophobicContact CZ-CB 4.16Å; R259-A319 VanDerWaalsContact NH2-CA 3.35Å; R259-A319 PolarHBondContact NH2-O 2.88Å; C289-A319 PolarHBondContact O-N 2.99Å; F291-A319 HydrophobicContact CE2-CB 4.11Å; L317-A319 PolarHBondContact O-N 3.19Å; A319-I321 PolarHBondContact O-N 3.03Å
320	R	38.6	Very low	39.3	Very low	204 Å²	204	120.7 Å²	120.7	77%	0.77	67%	0.672	S	S	*	*			trans	-60.4	126.9	170.3	-92.9	-175.8	174.5	-172	-2.8	108.7	R259	R259-R320 PolarHBondContact NH1-O 2.76Å; R259-R320 PolarHBondContact NH2-O 3.04Å
321	I	44.3	Very low	39.7	Very low	33 Å²	33	121.1 Å²	121.1	17%	0.169	67%	0.668	C	S	.	*			trans	-75.4	136.7	164.2	-56.4	173.2	0	0	0	105.6	D240 L241 C289 A319	D240-I321 HydrophobicContact CB-CG2 3.86Å; L241-I321 HydrophobicContact CB-CD1 4.15Å; L241-I321 HydrophobicContact CD2-CD1 3.76Å; C289-I321 HydrophobicContact CB-CD1 4.38Å; C289-I321 VanDerWaalsContact SG-CD1 3.59Å; A319-I321 PolarHBondContact O-N 3.03Å
322	P	37.5	Very low	39.7	Very low	171 Å²	171	119.7 Å²	119.7	100%	1.11	65%	0.653	S	S	*	*			trans	-59	0	177.4	2.1	0.1	0	0	0	113.4

Retrieved 322 of 322 residues in 770.6 ms (Link to these results)

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