A0A087X8L3_POEFO Loading...

GDP-fucose protein O-fucosyltransferase 2

Catalyzes the reaction that attaches fucose through an O-glycosidic linkage to a conserved serine or threonine residue in the consensus sequence C1-X-X-S/T-C2 of thrombospondin type I repeats (TSRs) where C1 and C2 are the first and second cysteines of the repeat, respectively. O-fucosylates members of several protein families including the ADAMTS, the thrombospondin (TSP) and spondin families. Required for the proper secretion of ADAMTS family members such as ADAMTSL1 and ADAMTS13. The O-fucosylation of TSRs is also required for restricting epithelial to mesenchymal transition (EMT), maintaining the correct patterning of mesoderm and localization of the definite endoderm.

AlphaFold DB , UniProt , Accession A0A087X8L3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 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	96.6	Very high	94.5	Very high	73 Å²	73	53.1 Å²	53.1	36%	0.36	25%	0.252	S	S	.	.				0	-58.9	0	-62.8	-47.9	112.5	0	0	112.5	S3 L4 V5 A135 L153 A156 L159	M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.05Å; M1-L4 WeakPolarHBondContact O-CB 3.37Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-L4 HydrophobicContact SD-CD2 4.46Å; M1-V5 PolarHBondContact O-N 3.38Å; M1-V5 VanDerWaalsContact O-N 3.11Å; M1-A135 HydrophobicContact CE-CB 3.95Å; M1-L153 HydrophobicContact SD-CD1 4.13Å; M1-A156 HydrophobicContact CE-CB 4.15Å; M1-A156 HydrophobicContact CG-CB 4.27Å; M1-A156 HydrophobicContact SD-CB 4.18Å; M1-L159 HydrophobicContact CE-CB 4.01Å; M1-L159 HydrophobicContact CE-CD1 3.6Å; M1-L159 HydrophobicContact CE-CG 4.42Å
2	A	97.3	Very high	93.1	Very high	16 Å²	16	54.2 Å²	54.2	13%	0.132	29%	0.288	C	S	.	.	H	α-helix	trans	-54.3	-39	175.7	0	0	0	0	0	113.8	L4 V5 K6 L17 V53 T172	A2-L4 PolarHBondContact O-N 3.21Å; A2-V5 PolarHBondContact O-N 2.84Å; A2-K6 WeakPolarHBondContact O-CG 3.32Å; A2-K6 PolarHBondContact O-N 2.93Å; A2-L17 HydrophobicContact CB-CD2 4.43Å; A2-V53 HydrophobicContact CB-CG1 4.17Å; A2-V53 HydrophobicContact CB-CG2 4.24Å; A2-T172 HydrophobicContact CB-CG2 3.76Å
3	S	96.1	Very high	92.2	Very high	22 Å²	22	55.1 Å²	55.1	15%	0.154	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-42.7	173.8	-49.8	0	0	0	0	113.2	M1 V5 K6 T7 D162	M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.05Å; S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 3.43Å; S3-K6 WeakPolarHBondContact O-CB 3.29Å; S3-K6 PolarHBondContact O-N 3.42Å; S3-K6 VanDerWaalsContact O-N 3.16Å; S3-T7 PolarHBondContact O-N 3.45Å; S3-T7 PolarHBondContact O-OG1 3.43Å; S3-D162 VanDerWaalsContact CB-OD2 3.26Å; S3-D162 WeakPolarHBondContact CB-OD2 3.48Å
4	L	96.5	Very high	92.1	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-43.7	174.7	167.9	61.1	0	0	0	111	M1 A2 K6 T7 L8 A135 M138 A139 L142 L153	M1-L4 WeakPolarHBondContact O-CB 3.37Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-L4 HydrophobicContact SD-CD2 4.46Å; A2-L4 PolarHBondContact O-N 3.21Å; L4-K6 VanDerWaalsContact C-N 3.34Å; L4-K6 PolarHBondContact O-N 3.33Å; L4-T7 WeakPolarHBondContact O-CB 3.2Å; L4-T7 PolarHBondContact O-N 2.93Å; L4-T7 VanDerWaalsContact O-N 3.15Å; L4-L8 HydrophobicContact CD1-CD1 4.07Å; L4-L8 HydrophobicContact CD1-CG 4.05Å; L4-L8 HydrophobicContact CG-CD1 4.02Å; L4-L8 HydrophobicContact CG-CG 4.47Å; L4-L8 WeakPolarHBondContact O-CG 3.38Å; L4-L8 PolarHBondContact O-N 2.82Å; L4-A135 HydrophobicContact CB-CB 4.23Å; L4-A135 WeakPolarHBondContact CD1-O 3.4Å; L4-M138 HydrophobicContact CD1-CB 3.99Å; L4-M138 HydrophobicContact CD2-CB 3.8Å; L4-M138 HydrophobicContact CD2-CG 4.5Å; L4-A139 HydrophobicContact CD1-CB 3.87Å; L4-L142 HydrophobicContact CD1-CD1 4.45Å; L4-L142 HydrophobicContact CD2-CD1 3.99Å; L4-L142 HydrophobicContact CG-CD1 4.5Å; L4-L153 HydrophobicContact CD2-CD1 3.85Å
5	V	96.6	Very high	92.3	Very high	11 Å²	11	59.7 Å²	59.7	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-38.4	176.7	175	0	0	0	0	111.8	M1 A2 S3 T7 L8 R9 W15 L17	M1-V5 PolarHBondContact O-N 3.38Å; M1-V5 VanDerWaalsContact O-N 3.11Å; A2-V5 PolarHBondContact O-N 2.84Å; S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 3.43Å; V5-T7 VanDerWaalsContact C-N 3.32Å; V5-T7 PolarHBondContact O-N 2.89Å; V5-L8 PolarHBondContact O-N 3.23Å; V5-R9 HydrophobicContact CG1-CG 4.34Å; V5-R9 WeakPolarHBondContact O-CB 3.45Å; V5-R9 VanDerWaalsContact O-CG 3.31Å; V5-R9 WeakPolarHBondContact O-CG 3.42Å; V5-R9 PolarHBondContact O-N 3.16Å; V5-W15 HydrophobicContact CG1-CB 4.36Å; V5-L17 HydrophobicContact CG2-CB 4.1Å; V5-L17 HydrophobicContact CG2-CD1 4.22Å
6	K	95.8	Very high	92.6	Very high	42 Å²	42	59.8 Å²	59.8	18%	0.183	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-42.7	172.2	-68.7	174.7	177.4	177.3	0	111.9	A2 S3 L4 K10 N52 V53 D168 T172	A2-K6 WeakPolarHBondContact O-CG 3.32Å; A2-K6 PolarHBondContact O-N 2.93Å; S3-K6 WeakPolarHBondContact O-CB 3.29Å; S3-K6 PolarHBondContact O-N 3.42Å; S3-K6 VanDerWaalsContact O-N 3.16Å; L4-K6 VanDerWaalsContact C-N 3.34Å; L4-K6 PolarHBondContact O-N 3.33Å; K6-K10 WeakPolarHBondContact O-CB 3.43Å; K6-K10 PolarHBondContact O-N 3.11Å; K6-N52 WeakPolarHBondContact CE-OD1 3.44Å; K6-N52 PolarHBondContact NZ-OD1 2.99Å; K6-V53 HydrophobicContact CD-CG1 4.1Å; K6-V53 VanDerWaalsContact CE-CG1 3.47Å; K6-V53 HydrophobicContact CG-CG1 3.55Å; K6-D168 PolarHBondContact NZ-O 3.14Å; K6-T172 PolarHBondContact NZ-OG1 3.46Å
7	T	95.1	Very high	92.9	Very high	36 Å²	36	58.6 Å²	58.6	22%	0.221	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-51.7	176.6	-60.1	0	0	0	0	111	S3 L4 V5 R9 K10 E11 S136 A139	S3-T7 PolarHBondContact O-N 3.45Å; S3-T7 PolarHBondContact O-OG1 3.43Å; L4-T7 WeakPolarHBondContact O-CB 3.2Å; L4-T7 PolarHBondContact O-N 2.93Å; L4-T7 VanDerWaalsContact O-N 3.15Å; V5-T7 VanDerWaalsContact C-N 3.32Å; V5-T7 PolarHBondContact O-N 2.89Å; T7-R9 VanDerWaalsContact C-N 3.31Å; T7-R9 PolarHBondContact O-N 3.23Å; T7-K10 WeakPolarHBondContact O-CB 3.34Å; T7-K10 PolarHBondContact O-N 2.94Å; T7-K10 VanDerWaalsContact O-N 3.1Å; T7-E11 PolarHBondContact O-N 3.46Å; T7-S136 PolarHBondContact OG1-OG 3.4Å; T7-A139 HydrophobicContact CG2-CB 3.81Å
8	L	93.9	Very high	93.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-55.5	-44.4	178	-72.4	168	0	0	0	112.4	L4 V5 E11 W15 A139 L142 Q143	L4-L8 HydrophobicContact CD1-CD1 4.07Å; L4-L8 HydrophobicContact CD1-CG 4.05Å; L4-L8 HydrophobicContact CG-CD1 4.02Å; L4-L8 HydrophobicContact CG-CG 4.47Å; L4-L8 WeakPolarHBondContact O-CG 3.38Å; L4-L8 PolarHBondContact O-N 2.82Å; V5-L8 PolarHBondContact O-N 3.23Å; L8-E11 PolarHBondContact O-N 3Å; L8-W15 HydrophobicContact CB-CB 4.34Å; L8-W15 HydrophobicContact CB-CG 3.94Å; L8-W15 HydrophobicContact CD1-CD2 3.91Å; L8-W15 HydrophobicContact CD1-CE3 4.39Å; L8-W15 HydrophobicContact CD1-CG 3.95Å; L8-W15 HydrophobicContact CG-CG 4.47Å; L8-A139 HydrophobicContact CD2-CB 3.83Å; L8-A139 HydrophobicContact CG-CB 4.24Å; L8-L142 HydrophobicContact CD1-CD1 3.92Å; L8-L142 HydrophobicContact CD2-CB 4.13Å; L8-Q143 HydrophobicContact CD2-CG 3.75Å
9	R	93.7	Very high	93.5	Very high	85 Å²	85	55.2 Å²	55.2	32%	0.321	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-32.2	178.7	-68.7	-170.2	73.5	82.3	9.1	113.7	V5 T7 E11 G12 D13 D14 W15	V5-R9 HydrophobicContact CG1-CG 4.34Å; V5-R9 WeakPolarHBondContact O-CB 3.45Å; V5-R9 VanDerWaalsContact O-CG 3.31Å; V5-R9 WeakPolarHBondContact O-CG 3.42Å; V5-R9 PolarHBondContact O-N 3.16Å; T7-R9 VanDerWaalsContact C-N 3.31Å; T7-R9 PolarHBondContact O-N 3.23Å; R9-E11 PolarHBondContact O-N 2.88Å; R9-G12 PolarHBondContact O-N 2.88Å; R9-D13 WeakPolarHBondContact CA-O 3.48Å; R9-D14 IonicContact CZ-OD1 3.77Å; R9-D14 VanDerWaalsContact NH1-C 3.29Å; R9-D14 IonicContact NH1-OD1 3.09Å; R9-D14 PolarHBondContact NH1-OD1 3.26Å; R9-D14 IonicContact NH2-OD1 3Å; R9-D14 PolarHBondContact NH2-OD1 2.93Å; R9-W15 WeakPolarHBondContact CD-O 3.41Å; R9-W15 HydrophobicContact CG-CB 4.29Å; R9-W15 PolarHBondContact NH1-O 3.26Å
10	K	91.7	Very high	93.7	Very high	188 Å²	188	55.1 Å²	55.1	82%	0.817	30%	0.296	S	S	*	.	H	α-helix	trans	-66.5	-30.2	175.6	-174.8	-178.6	176.6	-173.1	0	111.6	K6 T7 G12	K6-K10 WeakPolarHBondContact O-CB 3.43Å; K6-K10 PolarHBondContact O-N 3.11Å; T7-K10 WeakPolarHBondContact O-CB 3.34Å; T7-K10 PolarHBondContact O-N 2.94Å; T7-K10 VanDerWaalsContact O-N 3.1Å; K10-G12 VanDerWaalsContact C-N 3.27Å
11	E	85.8	Confident	93.9	Very high	104 Å²	104	52.9 Å²	52.9	49%	0.486	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.5	-179.5	-70.1	176.7	164.8	0	0	113.5	T7 L8 R9 Q143	T7-E11 PolarHBondContact O-N 3.46Å; L8-E11 PolarHBondContact O-N 3Å; R9-E11 PolarHBondContact O-N 2.88Å; E11-Q143 VanDerWaalsContact CB-NE2 3.29Å; E11-Q143 VanDerWaalsContact OE2-CD 3.29Å; E11-Q143 PolarHBondContact OE2-NE2 3.3Å; E11-Q143 PolarHBondContact OE2-OE1 2.94Å
12	G	78.3	Confident	93.9	Very high	66 Å²	66	52.3 Å²	52.3	68%	0.68	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.4	-2.4	165.5	0	0	0	0	0	115.8	R9 K10	R9-G12 PolarHBondContact O-N 2.88Å; K10-G12 VanDerWaalsContact C-N 3.27Å
13	D	81.1	Confident	93.4	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.353	28%	0.279	S	S	.	.			trans	-95.1	148.4	-177.7	-63.5	-38.9	0	0	0	112.7	R9 W15 Q143	R9-D13 WeakPolarHBondContact CA-O 3.48Å; D13-W15 VanDerWaalsContact C-N 3.31Å; D13-W15 PolarHBondContact O-N 2.9Å; D13-W15 VanDerWaalsContact O-N 3.1Å; D13-Q143 VanDerWaalsContact OD2-CG 3.26Å; D13-Q143 WeakPolarHBondContact OD2-CG 3.27Å; D13-Q143 PolarHBondContact OD2-NE2 2.8Å
14	D	91	Very high	92.3	Very high	130 Å²	130	59.4 Å²	59.4	70%	0.695	30%	0.303	S	S	*	.			trans	-89.7	53.1	-176	-160	14.6	0	0	0	113.2	R9	R9-D14 IonicContact CZ-OD1 3.77Å; R9-D14 VanDerWaalsContact NH1-C 3.29Å; R9-D14 IonicContact NH1-OD1 3.09Å; R9-D14 PolarHBondContact NH1-OD1 3.26Å; R9-D14 IonicContact NH2-OD1 3Å; R9-D14 PolarHBondContact NH2-OD1 2.93Å
15	W	95.1	Very high	91.4	Very high	50 Å²	50	63 Å²	63	19%	0.189	32%	0.322	C	S	.	.			trans	-71.4	134.9	-177.8	-72.4	85	0	0	0	113.2	V5 L8 R9 D13 L142 V151	V5-W15 HydrophobicContact CG1-CB 4.36Å; L8-W15 HydrophobicContact CB-CB 4.34Å; L8-W15 HydrophobicContact CB-CG 3.94Å; L8-W15 HydrophobicContact CD1-CD2 3.91Å; L8-W15 HydrophobicContact CD1-CE3 4.39Å; L8-W15 HydrophobicContact CD1-CG 3.95Å; L8-W15 HydrophobicContact CG-CG 4.47Å; R9-W15 WeakPolarHBondContact CD-O 3.41Å; R9-W15 HydrophobicContact CG-CB 4.29Å; R9-W15 PolarHBondContact NH1-O 3.26Å; D13-W15 VanDerWaalsContact C-N 3.31Å; D13-W15 PolarHBondContact O-N 2.9Å; D13-W15 VanDerWaalsContact O-N 3.1Å; W15-L142 HydrophobicContact CH2-CB 4.34Å; W15-L142 HydrophobicContact CZ2-CB 4.18Å; W15-V151 HydrophobicContact CH2-CG2 4.16Å
16	V	97.2	Very high	89.9	Confident	61 Å²	61	73.7 Å²	73.7	37%	0.37	36%	0.363	S	S	.	.			trans	-114.6	136.4	172.1	-177.1	0	0	0	0	109.2	P54 I56	V16-P54 HydrophobicContact CG1-CB 4.25Å; V16-P54 HydrophobicContact CG2-CB 4.21Å; V16-I56 HydrophobicContact CG1-CB 4.4Å; V16-I56 HydrophobicContact CG1-CD1 4.19Å; V16-I56 HydrophobicContact CG1-CG1 3.89Å; V16-I56 HydrophobicContact CG1-CG2 3.94Å
17	L	98.4	Very high	88.7	Confident	40 Å²	40	75.7 Å²	75.7	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.6	176.3	179.8	61.1	0	0	0	110.2	A2 V5 V53 P54 V55 I56	A2-L17 HydrophobicContact CB-CD2 4.43Å; V5-L17 HydrophobicContact CG2-CB 4.1Å; V5-L17 HydrophobicContact CG2-CD1 4.22Å; L17-V53 HydrophobicContact CD2-CG2 4.34Å; L17-P54 PolarHBondContact N-O 2.82Å; L17-V55 HydrophobicContact CB-CG1 4.14Å; L17-V55 HydrophobicContact CD2-CG1 4.28Å; L17-V55 HydrophobicContact CG-CG1 4.49Å; L17-V55 VanDerWaalsContact O-CA 3.25Å; L17-V55 WeakPolarHBondContact O-CA 3.33Å; L17-I56 PolarHBondContact O-N 3.38Å
18	V	98.6	Very high	87.9	Confident	45 Å²	45	75.9 Å²	75.9	27%	0.273	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.5	170.8	-172	0	0	0	0	109.3	I56 Y58 F61	V18-I56 HydrophobicContact CG2-CD1 4.21Å; V18-I56 HydrophobicContact CG2-CG1 4.11Å; V18-Y58 HydrophobicContact CG1-CD2 3.85Å; V18-F61 HydrophobicContact CB-CB 4.42Å; V18-F61 HydrophobicContact CG1-CB 3.63Å; V18-F61 HydrophobicContact CG1-CD1 4.47Å; V18-F61 HydrophobicContact CG1-CG 4.06Å; V18-F61 HydrophobicContact CG2-CB 3.84Å; V18-F61 HydrophobicContact CG2-CD2 3.83Å; V18-F61 HydrophobicContact CG2-CG 3.9Å
19	L	98.6	Very high	86.9	Confident	7 Å²	7	79.4 Å²	79.4	4%	0.037	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.6	-177.9	-63.5	177.3	0	0	0	110.4	P21 W40 L46 L49 V55 I56	L19-P21 WeakPolarHBondContact O-CD 3.27Å; L19-W40 HydrophobicContact CB-CB 4.43Å; L19-W40 HydrophobicContact CB-CD2 4.3Å; L19-W40 HydrophobicContact CB-CG 3.84Å; L19-W40 HydrophobicContact CD1-CB 3.68Å; L19-W40 HydrophobicContact CD1-CD2 4.25Å; L19-W40 HydrophobicContact CD1-CG 3.8Å; L19-W40 HydrophobicContact CD2-CD2 4.19Å; L19-W40 HydrophobicContact CD2-CE3 4.49Å; L19-W40 HydrophobicContact CD2-CG 4.46Å; L19-W40 HydrophobicContact CG-CD2 4.49Å; L19-W40 HydrophobicContact CG-CG 4.25Å; L19-L46 HydrophobicContact CD1-CD2 3.66Å; L19-L49 HydrophobicContact CD1-CD1 4.25Å; L19-V55 HydrophobicContact CD1-CB 4.07Å; L19-V55 HydrophobicContact CD1-CG2 4.13Å; L19-V55 HydrophobicContact CD2-CB 4.05Å; L19-V55 HydrophobicContact CD2-CG1 3.96Å; L19-V55 HydrophobicContact CG-CB 3.99Å; L19-V55 HydrophobicContact CG-CG1 4.45Å; L19-I56 WeakPolarHBondContact CG-O 2.96Å; L19-I56 PolarHBondContact N-O 3.01Å
20	P	97.6	Very high	86.2	Confident	52 Å²	52	76.5 Å²	76.5	34%	0.338	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-71.2	123.9	-178.8	27.4	-32.7	0	0	0	110	W22 W40 W116	P20-W22 PolarHBondContact O-N 2.66Å; P20-W40 HydrophobicContact CG-CZ2 4.35Å; P20-W40 PolarHBondContact O-NE1 3.05Å; P20-W116 HydrophobicContact CB-CZ2 4.03Å; P20-W116 VanDerWaalsContact CB-NE1 3.29Å
21	P	97.3	Very high	85.4	Confident	9 Å²	9	71.7 Å²	71.7	6%	0.058	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-57	139.6	-179.1	-26.7	35.9	0	0	0	111.8	L19 Y58 W116 Y118	L19-P21 WeakPolarHBondContact O-CD 3.27Å; P21-Y58 VanDerWaalsContact CG-CB 3.46Å; P21-Y58 HydrophobicContact CG-CD1 3.89Å; P21-Y58 HydrophobicContact CG-CG 3.89Å; P21-W116 HydrophobicContact CB-CB 4.06Å; P21-W116 HydrophobicContact CG-CB 4.1Å; P21-W116 HydrophobicContact CG-CG 4.45Å; P21-Y118 HydrophobicContact CB-CE2 4.2Å; P21-Y118 HydrophobicContact CG-CE2 3.8Å
22	W	95.4	Very high	85.1	Confident	61 Å²	61	74.3 Å²	74.3	23%	0.231	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-70.3	143.2	174	-60	88.3	0	0	0	109.8	P20 L25 W28 I36 R37 I38 W40 F43 F44	P20-W22 PolarHBondContact O-N 2.66Å; W22-L25 HydrophobicContact CE3-CD1 4.09Å; W22-L25 HydrophobicContact CZ3-CD1 4.03Å; W22-W28 HydrophobicContact CB-CH2 3.82Å; W22-W28 HydrophobicContact CB-CZ2 4.28Å; W22-W28 HydrophobicContact CE3-CZ2 4.45Å; W22-I36 CarbonylContact O-C 3.6Å; W22-R37 PolarHBondContact O-N 2.01Å; W22-R37 VanDerWaalsContact O-N 3.1Å; W22-I38 HydrophobicContact CB-CB 4.02Å; W22-I38 HydrophobicContact CB-CG2 4.47Å; W22-I38 PolarHBondContact N-O 2.74Å; W22-I38 PolarHBondContact O-N 3.47Å; W22-W40 AromaticContact CD1-CD1 3.74Å; W22-W40 AromaticContact CD1-NE1 3.9Å; W22-W40 AromaticContact CE2-CE2 3.82Å; W22-W40 HydrophobicContact CH2-CH2 4.48Å; W22-W40 HydrophobicContact CZ2-CD2 4.19Å; W22-W40 AromaticContact CZ2-CE2 3.91Å; W22-W40 HydrophobicContact CZ2-CE3 4.22Å; W22-W40 AromaticContact CZ2-CH2 3.74Å; W22-W40 HydrophobicContact CZ2-CH2 3.74Å; W22-W40 AromaticContact CZ2-CZ2 3.69Å; W22-W40 HydrophobicContact CZ2-CZ2 3.69Å; W22-W40 HydrophobicContact CZ2-CZ3 4Å; W22-W40 AromaticContact NE1-CD1 3.42Å; W22-W40 AromaticContact NE1-CD2 3.44Å; W22-W40 AromaticContact NE1-CE2 3.45Å; W22-W40 AromaticContact NE1-CG 3.46Å; W22-W40 AromaticContact NE1-NE1 3.4Å; W22-F43 HydrophobicContact CB-CE2 3.93Å; W22-F43 AromaticContact CD1-CD2 3.59Å; W22-F43 AromaticContact CD1-CE2 3.83Å; W22-F43 AromaticContact CD2-CD2 3.97Å; W22-F43 HydrophobicContact CD2-CD2 3.97Å; W22-F43 HydrophobicContact CD2-CE2 4.07Å; W22-F43 AromaticContact CE2-CD2 3.91Å; W22-F43 AromaticContact CG-CD2 3.81Å; W22-F43 HydrophobicContact CG-CD2 3.81Å; W22-F43 AromaticContact CG-CE2 3.67Å; W22-F43 HydrophobicContact CG-CE2 3.67Å; W22-F43 AromaticContact NE1-CD2 3.67Å; W22-F44 AromaticContact CZ2-CE2 3.81Å; W22-F44 HydrophobicContact CZ2-CE2 3.81Å
23	G	87.9	Confident	85.4	Confident	14 Å²	14	72 Å²	72	14%	0.144	36%	0.355	C	S	.	.			trans	-155.4	-174.9	174.3	0	0	0	0	0	110.3	L25 W28 Q35	G23-L25 WeakPolarHBondContact O-CG 3.46Å; G23-L25 PolarHBondContact O-N 3.23Å; G23-W28 WeakPolarHBondContact O-CH2 2.92Å; G23-W28 WeakPolarHBondContact O-CZ3 3.43Å; G23-Q35 CarbonylContact C-O 3.48Å; G23-Q35 VanDerWaalsContact CA-O 3.28Å; G23-Q35 WeakPolarHBondContact CA-O 3.45Å
24	R	73.3	Confident	85.5	Confident	173 Å²	173	75.2 Å²	75.2	65%	0.653	37%	0.368	S	S	*	.			trans	-43.8	97.1	-174.4	-76.6	-175.3	161.3	-175.7	-5.2	113.3	P31 Q35 I36	R24-P31 PolarHBondContact NH2-O 2.92Å; R24-Q35 PolarHBondContact N-O 3.15Å; R24-I36 HydrophobicContact CG-CG2 4.36Å
25	L	77.3	Confident	85.4	Confident	82 Å²	82	69.1 Å²	69.1	43%	0.429	34%	0.336	S	S	.	.			trans	-82.8	150.6	168.2	-61.8	-178.3	0	0	0	108.9	W22 G23 H27 W28	W22-L25 HydrophobicContact CE3-CD1 4.09Å; W22-L25 HydrophobicContact CZ3-CD1 4.03Å; G23-L25 WeakPolarHBondContact O-CG 3.46Å; G23-L25 PolarHBondContact O-N 3.23Å; L25-H27 PolarHBondContact O-N 2.95Å; L25-W28 HydrophobicContact CB-CD2 4.15Å; L25-W28 HydrophobicContact CB-CG 4.01Å; L25-W28 HydrophobicContact CD1-CZ2 4.09Å; L25-W28 HydrophobicContact CG-CD2 4.35Å; L25-W28 HydrophobicContact CG-CZ2 4.16Å; L25-W28 WeakPolarHBondContact O-CB 3.45Å; L25-W28 PolarHBondContact O-N 3.03Å
26	Y	65	Low	85.2	Confident	235 Å²	235	68.6 Å²	68.6	92%	0.922	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-23.6	179.7	-69.5	-71.4	0	0	0	114.3
27	H	69.8	Low	85.1	Confident	83 Å²	83	69.4 Å²	69.4	38%	0.384	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1.3	-177.8	-47.8	125.5	0	0	0	114.2	L25 Q29 R230 D233	L25-H27 PolarHBondContact O-N 2.95Å; H27-Q29 WeakPolarHBondContact O-CG 3.3Å; H27-Q29 PolarHBondContact O-N 3.13Å; H27-Q29 PolarHBondContact O-NE2 2.86Å; H27-R230 PolarHBondContact CD2-NH2 3.05Å; H27-D233 IonicContact CD2-OD2 3.89Å; H27-D233 IonicContact NE2-OD2 2.69Å
28	W	79.7	Confident	85	Confident	40 Å²	40	68 Å²	68	15%	0.152	33%	0.325	C	S	.	.			trans	-74.1	120.9	173.5	-72.1	3.8	0	0	0	108.9	W22 G23 L25 Q35 I38 F43 D300	W22-W28 HydrophobicContact CB-CH2 3.82Å; W22-W28 HydrophobicContact CB-CZ2 4.28Å; W22-W28 HydrophobicContact CE3-CZ2 4.45Å; G23-W28 WeakPolarHBondContact O-CH2 2.92Å; G23-W28 WeakPolarHBondContact O-CZ3 3.43Å; L25-W28 HydrophobicContact CB-CD2 4.15Å; L25-W28 HydrophobicContact CB-CG 4.01Å; L25-W28 HydrophobicContact CD1-CZ2 4.09Å; L25-W28 HydrophobicContact CG-CD2 4.35Å; L25-W28 HydrophobicContact CG-CZ2 4.16Å; L25-W28 WeakPolarHBondContact O-CB 3.45Å; L25-W28 PolarHBondContact O-N 3.03Å; W28-Q35 HydrophobicContact CE3-CB 3.5Å; W28-Q35 VanDerWaalsContact CE3-CB 3.5Å; W28-Q35 HydrophobicContact CE3-CG 4.3Å; W28-Q35 HydrophobicContact CZ3-CB 3.4Å; W28-Q35 HydrophobicContact CZ3-CG 4.46Å; W28-Q35 WeakPolarHBondContact CZ3-O 3.23Å; W28-I38 HydrophobicContact CH2-CD1 3.77Å; W28-I38 HydrophobicContact CZ3-CD1 3.85Å; W28-F43 HydrophobicContact CZ2-CE2 4.46Å; W28-D300 VanDerWaalsContact CA-OD2 3.26Å; W28-D300 WeakPolarHBondContact CA-OD2 3.35Å; W28-D300 HydrophobicContact CB-CB 4.07Å; W28-D300 VanDerWaalsContact CB-OD2 3.29Å; W28-D300 WeakPolarHBondContact CB-OD2 3.35Å; W28-D300 HydrophobicContact CD2-CB 4.36Å; W28-D300 HydrophobicContact CG-CB 3.85Å
29	Q	71.9	Confident	85	Confident	76 Å²	76	68.4 Å²	68.4	36%	0.355	33%	0.329	S	S	.	.			trans	-93.4	-19.7	-162.3	-61.2	-55.7	-34.6	0	0	113.5	H27 P31 K232 D300	H27-Q29 WeakPolarHBondContact O-CG 3.3Å; H27-Q29 PolarHBondContact O-N 3.13Å; H27-Q29 PolarHBondContact O-NE2 2.86Å; Q29-P31 WeakPolarHBondContact O-CD 3.25Å; Q29-K232 VanDerWaalsContact CD-NZ 3.26Å; Q29-D300 PolarHBondContact N-OD2 3.14Å
30	S	79.1	Confident	85	Confident	24 Å²	24	69.8 Å²	69.8	17%	0.168	33%	0.333	C	S	.	.			trans	-99.7	93.9	-170.3	-53.7	0	0	0	0	109.6	D32 I33 Q35 D300	S30-D32 PolarHBondContact O-N 3.3Å; S30-I33 VanDerWaalsContact CB-CG1 3.44Å; S30-I33 VanDerWaalsContact O-CG1 3.32Å; S30-I33 WeakPolarHBondContact O-CG1 3.35Å; S30-Q35 PolarHBondContact O-NE2 3.39Å; S30-D300 WeakPolarHBondContact CB-OD1 3.23Å; S30-D300 PolarHBondContact N-OD2 2.7Å; S30-D300 PolarHBondContact OG-OD1 2.96Å
31	P	74.7	Confident	85	Confident	88 Å²	88	68.8 Å²	68.8	57%	0.571	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.8	-177.2	29.5	-37.1	0	0	0	112.6	R24 Q29 I33	R24-P31 PolarHBondContact NH2-O 2.92Å; Q29-P31 WeakPolarHBondContact O-CD 3.25Å; P31-I33 VanDerWaalsContact C-N 3.31Å; P31-I33 PolarHBondContact O-N 3.21Å
32	D	80.4	Confident	85	Confident	159 Å²	159	72.4 Å²	72.4	85%	0.85	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.7	-172	-60.6	-32.6	0	0	0	113.6	S30	S30-D32 PolarHBondContact O-N 3.3Å
33	I	84.1	Confident	85.1	Confident	16 Å²	16	69.8 Å²	69.8	8%	0.082	34%	0.339	C	S	.	.	S	Bend	trans	-104.7	139.7	175.6	54.5	166.6	0	0	0	110.9	S30 P31 Q35 L295 E296	S30-I33 VanDerWaalsContact CB-CG1 3.44Å; S30-I33 VanDerWaalsContact O-CG1 3.32Å; S30-I33 WeakPolarHBondContact O-CG1 3.35Å; P31-I33 VanDerWaalsContact C-N 3.31Å; P31-I33 PolarHBondContact O-N 3.21Å; I33-Q35 HydrophobicContact CB-CG 4.25Å; I33-Q35 HydrophobicContact CD1-CG 3.62Å; I33-Q35 HydrophobicContact CG1-CG 3.58Å; I33-Q35 PolarHBondContact O-N 2.85Å; I33-L295 HydrophobicContact CD1-CD1 4.47Å; I33-L295 HydrophobicContact CD1-CG 4.34Å; I33-E296 HydrophobicContact CG2-CG 3.83Å
34	H	83.8	Confident	85.6	Confident	134 Å²	134	69.9 Å²	69.9	62%	0.62	34%	0.335	S	S	*	.			trans	-76.7	106.5	176.7	-170.1	76.6	0	0	0	109.7	I36	H34-I36 WeakPolarHBondContact CE1-CD1 3.42Å; H34-I36 WeakPolarHBondContact CE1-CG1 3.21Å; H34-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H34-I36 WeakPolarHBondContact NE2-CG1 3.5Å
35	Q	88.6	Confident	86.8	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.014	31%	0.312	C	S	.	.			trans	-125.2	69.5	-175.6	-49.4	-174.9	83.8	0	0	110.7	G23 R24 W28 S30 I33 I38 D300	G23-Q35 CarbonylContact C-O 3.48Å; G23-Q35 VanDerWaalsContact CA-O 3.28Å; G23-Q35 WeakPolarHBondContact CA-O 3.45Å; R24-Q35 PolarHBondContact N-O 3.15Å; W28-Q35 HydrophobicContact CE3-CB 3.5Å; W28-Q35 VanDerWaalsContact CE3-CB 3.5Å; W28-Q35 HydrophobicContact CE3-CG 4.3Å; W28-Q35 HydrophobicContact CZ3-CB 3.4Å; W28-Q35 HydrophobicContact CZ3-CG 4.46Å; W28-Q35 WeakPolarHBondContact CZ3-O 3.23Å; S30-Q35 PolarHBondContact O-NE2 3.39Å; I33-Q35 HydrophobicContact CB-CG 4.25Å; I33-Q35 HydrophobicContact CD1-CG 3.62Å; I33-Q35 HydrophobicContact CG1-CG 3.58Å; I33-Q35 PolarHBondContact O-N 2.85Å; Q35-I38 HydrophobicContact CB-CD1 3.94Å; Q35-D300 PolarHBondContact NE2-OD2 2.91Å
36	I	91.7	Very high	87.8	Confident	38 Å²	38	61.2 Å²	61.2	20%	0.195	30%	0.304	C	S	.	.	S	Bend	trans	-137.8	160.1	171	60.2	167.6	0	0	0	108.6	W22 R24 H34 I38 W114	W22-I36 CarbonylContact O-C 3.6Å; R24-I36 HydrophobicContact CG-CG2 4.36Å; H34-I36 WeakPolarHBondContact CE1-CD1 3.42Å; H34-I36 WeakPolarHBondContact CE1-CG1 3.21Å; H34-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H34-I36 WeakPolarHBondContact NE2-CG1 3.5Å; I36-I38 PolarHBondContact O-N 3.2Å; I36-W114 HydrophobicContact CG2-CH2 4.44Å
37	R	94.6	Very high	89.4	Confident	79 Å²	79	54.8 Å²	54.8	30%	0.298	29%	0.289	S	S	.	.	S	Bend	trans	56.6	32.5	178.7	-49.1	-174.4	-173.6	-159.5	3	113.5	W22 G117 Y118 E120	W22-R37 PolarHBondContact O-N 2.01Å; W22-R37 VanDerWaalsContact O-N 3.1Å; R37-G117 PolarHBondContact NE-O 2.84Å; R37-G117 PolarHBondContact NH2-O 2.79Å; R37-Y118 HydrophobicContact CB-CD2 4.45Å; R37-Y118 HydrophobicContact CB-CE2 3.61Å; R37-Y118 HydrophobicContact CG-CD2 3.8Å; R37-Y118 HydrophobicContact CG-CE2 3.44Å; R37-Y118 VanDerWaalsContact CG-CE2 3.44Å; R37-E120 IonicContact CZ-OE2 3.79Å; R37-E120 IonicContact NH1-OE1 2.95Å; R37-E120 PolarHBondContact NH1-OE1 3.09Å; R37-E120 IonicContact NH1-OE2 3.52Å; R37-E120 IonicContact NH2-OE2 3.31Å; R37-E120 PolarHBondContact NH2-OE2 2.79Å
38	I	96.3	Very high	90.7	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.056	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-83	124.1	-179.1	-62.3	161.6	0	0	0	108.5	W22 W28 Q35 I36 E42 F43 R299	W22-I38 HydrophobicContact CB-CB 4.02Å; W22-I38 HydrophobicContact CB-CG2 4.47Å; W22-I38 PolarHBondContact N-O 2.74Å; W22-I38 PolarHBondContact O-N 3.47Å; W28-I38 HydrophobicContact CH2-CD1 3.77Å; W28-I38 HydrophobicContact CZ3-CD1 3.85Å; Q35-I38 HydrophobicContact CB-CD1 3.94Å; I36-I38 PolarHBondContact O-N 3.2Å; I38-E42 HydrophobicContact CG2-CB 4Å; I38-E42 HydrophobicContact CG2-CG 3.94Å; I38-F43 HydrophobicContact CG2-CE2 3.87Å; I38-F43 HydrophobicContact CG2-CZ 3.91Å; I38-R299 HydrophobicContact CD1-CB 4.38Å; I38-R299 HydrophobicContact CD1-CG 4.02Å
39	P	97.7	Very high	91.6	Very high	53 Å²	53	49.9 Å²	49.9	34%	0.344	27%	0.27	S	S	.	.			trans	-71	157.5	179.7	27.1	-29.9	0	0	0	111.5	G41 E42 E57	P39-G41 PolarHBondContact O-N 2.91Å; P39-E42 HydrophobicContact CG-CG 4.02Å; P39-E42 PolarHBondContact O-N 3.27Å; P39-E57 HydrophobicContact CB-CG 4.41Å; P39-E57 WeakPolarHBondContact CB-OE1 3.45Å
40	W	98.5	Very high	92.9	Very high	36 Å²	36	50.6 Å²	50.6	14%	0.136	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-65.8	-28.2	178.2	-81.8	62.7	0	0	0	113.1	L19 P20 W22 E42 F43 F44 L46 L49 E57 M176	L19-W40 HydrophobicContact CB-CB 4.43Å; L19-W40 HydrophobicContact CB-CD2 4.3Å; L19-W40 HydrophobicContact CB-CG 3.84Å; L19-W40 HydrophobicContact CD1-CB 3.68Å; L19-W40 HydrophobicContact CD1-CD2 4.25Å; L19-W40 HydrophobicContact CD1-CG 3.8Å; L19-W40 HydrophobicContact CD2-CD2 4.19Å; L19-W40 HydrophobicContact CD2-CE3 4.49Å; L19-W40 HydrophobicContact CD2-CG 4.46Å; L19-W40 HydrophobicContact CG-CD2 4.49Å; L19-W40 HydrophobicContact CG-CG 4.25Å; P20-W40 HydrophobicContact CG-CZ2 4.35Å; P20-W40 PolarHBondContact O-NE1 3.05Å; W22-W40 AromaticContact CD1-CD1 3.74Å; W22-W40 AromaticContact CD1-NE1 3.9Å; W22-W40 AromaticContact CE2-CE2 3.82Å; W22-W40 HydrophobicContact CH2-CH2 4.48Å; W22-W40 HydrophobicContact CZ2-CD2 4.19Å; W22-W40 AromaticContact CZ2-CE2 3.91Å; W22-W40 HydrophobicContact CZ2-CE3 4.22Å; W22-W40 AromaticContact CZ2-CH2 3.74Å; W22-W40 HydrophobicContact CZ2-CH2 3.74Å; W22-W40 AromaticContact CZ2-CZ2 3.69Å; W22-W40 HydrophobicContact CZ2-CZ2 3.69Å; W22-W40 HydrophobicContact CZ2-CZ3 4Å; W22-W40 AromaticContact NE1-CD1 3.42Å; W22-W40 AromaticContact NE1-CD2 3.44Å; W22-W40 AromaticContact NE1-CE2 3.45Å; W22-W40 AromaticContact NE1-CG 3.46Å; W22-W40 AromaticContact NE1-NE1 3.4Å; W40-E42 PolarHBondContact O-N 2.84Å; W40-E42 VanDerWaalsContact O-N 3.12Å; W40-F43 PolarHBondContact O-N 3.24Å; W40-F44 AromaticContact CE3-CD2 3.57Å; W40-F44 HydrophobicContact CE3-CD2 3.57Å; W40-F44 HydrophobicContact CE3-CE2 4.11Å; W40-F44 HydrophobicContact CE3-CG 4.3Å; W40-F44 AromaticContact CZ3-CD2 3.92Å; W40-F44 HydrophobicContact CZ3-CD2 3.92Å; W40-F44 HydrophobicContact CZ3-CE2 4.05Å; W40-F44 PolarHBondContact O-N 3Å; W40-L46 HydrophobicContact CB-CD2 4.04Å; W40-L49 HydrophobicContact CE3-CD1 4.12Å; W40-E57 WeakPolarHBondContact CA-OE1 3.39Å; W40-E57 WeakPolarHBondContact CB-OE1 3.43Å; W40-E57 PolarHBondContact N-OE1 3.22Å; W40-E57 PolarHBondContact N-OE2 2.95Å; W40-E57 VanDerWaalsContact N-OE2 3.1Å; W40-M176 HydrophobicContact CZ3-CE 4.1Å
41	G	98.1	Very high	93.7	Very high	31 Å²	31	52.5 Å²	52.5	32%	0.32	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-56.1	-22.9	176	0	0	0	0	0	114.7	P39 F43 E57	P39-G41 PolarHBondContact O-N 2.91Å; G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 3.03Å; G41-E57 PolarHBondContact N-OE1 3.24Å
42	E	97.6	Very high	94.8	Very high	85 Å²	85	49.7 Å²	49.7	40%	0.397	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-70.8	-25.6	173.5	-64.2	-58.8	157	0	0	112.6	I38 P39 W40 H181	I38-E42 HydrophobicContact CG2-CB 4Å; I38-E42 HydrophobicContact CG2-CG 3.94Å; P39-E42 HydrophobicContact CG-CG 4.02Å; P39-E42 PolarHBondContact O-N 3.27Å; W40-E42 PolarHBondContact O-N 2.84Å; W40-E42 VanDerWaalsContact O-N 3.12Å; E42-H181 PolarHBondContact O-CE1 3.43Å
43	F	98.3	Very high	95.6	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.022	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-30.9	-173.1	-62.4	-33.5	0	0	0	113.5	W22 W28 I38 W40 G41 F178 A179 L182 I305	W22-F43 HydrophobicContact CB-CE2 3.93Å; W22-F43 AromaticContact CD1-CD2 3.59Å; W22-F43 AromaticContact CD1-CE2 3.83Å; W22-F43 AromaticContact CD2-CD2 3.97Å; W22-F43 HydrophobicContact CD2-CD2 3.97Å; W22-F43 HydrophobicContact CD2-CE2 4.07Å; W22-F43 AromaticContact CE2-CD2 3.91Å; W22-F43 AromaticContact CG-CD2 3.81Å; W22-F43 HydrophobicContact CG-CD2 3.81Å; W22-F43 AromaticContact CG-CE2 3.67Å; W22-F43 HydrophobicContact CG-CE2 3.67Å; W22-F43 AromaticContact NE1-CD2 3.67Å; W28-F43 HydrophobicContact CZ2-CE2 4.46Å; I38-F43 HydrophobicContact CG2-CE2 3.87Å; I38-F43 HydrophobicContact CG2-CZ 3.91Å; W40-F43 PolarHBondContact O-N 3.24Å; G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 3.03Å; F43-F178 WeakPolarHBondContact O-CA 3.34Å; F43-A179 PolarHBondContact O-N 3.39Å; F43-L182 HydrophobicContact CD1-CD1 4.33Å; F43-I305 HydrophobicContact CB-CD1 3.59Å; F43-I305 HydrophobicContact CD1-CD1 4.12Å; F43-I305 HydrophobicContact CG-CD1 4.03Å
44	F	98.6	Very high	96.3	Very high	17 Å²	17	43.7 Å²	43.7	8%	0.075	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-133.1	152.8	-174.1	-62.1	-80.7	0	0	0	112.2	W22 W40 L46 L49 M176 V177 F178 I305	W22-F44 AromaticContact CZ2-CE2 3.81Å; W22-F44 HydrophobicContact CZ2-CE2 3.81Å; W40-F44 AromaticContact CE3-CD2 3.57Å; W40-F44 HydrophobicContact CE3-CD2 3.57Å; W40-F44 HydrophobicContact CE3-CE2 4.11Å; W40-F44 HydrophobicContact CE3-CG 4.3Å; W40-F44 AromaticContact CZ3-CD2 3.92Å; W40-F44 HydrophobicContact CZ3-CD2 3.92Å; W40-F44 HydrophobicContact CZ3-CE2 4.05Å; W40-F44 PolarHBondContact O-N 3Å; F44-L46 PolarHBondContact O-N 3.18Å; F44-L49 HydrophobicContact CB-CD1 4.12Å; F44-M176 HydrophobicContact CD1-CB 4.13Å; F44-M176 HydrophobicContact CE1-CB 4.1Å; F44-M176 HydrophobicContact CE1-CE 4.11Å; F44-M176 HydrophobicContact CZ-CE 4.02Å; F44-V177 CarbonylContact C-O 3.33Å; F44-V177 VanDerWaalsContact CA-O 3.31Å; F44-V177 WeakPolarHBondContact CA-O 3.47Å; F44-F178 HydrophobicContact CD1-CD1 4.09Å; F44-F178 AromaticContact CE1-CD1 3.66Å; F44-F178 HydrophobicContact CE1-CD1 3.66Å; F44-F178 AromaticContact CE1-CE1 3.8Å; F44-F178 HydrophobicContact CE1-CE1 3.8Å; F44-F178 HydrophobicContact CZ-CD1 4.41Å; F44-F178 HydrophobicContact CZ-CE1 4.34Å; F44-I305 HydrophobicContact CZ-CD1 4.45Å
45	S	98.1	Very high	97	Very high	23 Å²	23	37.6 Å²	37.6	16%	0.161	21%	0.213	C	C	.	.			trans	-71.9	108.8	170.4	167.7	0	0	0	0	110.2	T47 S48 L49 V177	S45-T47 VanDerWaalsContact C-N 3.3Å; S45-T47 PolarHBondContact O-N 3.13Å; S45-T47 PolarHBondContact OG-OG1 3.17Å; S45-S48 WeakPolarHBondContact CB-OG 3.49Å; S45-S48 WeakPolarHBondContact O-CB 3.24Å; S45-S48 PolarHBondContact O-N 2.87Å; S45-S48 VanDerWaalsContact O-N 3.12Å; S45-S48 WeakPolarHBondContact OG-CB 3.46Å; S45-S48 PolarHBondContact OG-N 3.27Å; S45-S48 PolarHBondContact OG-OG 3.45Å; S45-L49 PolarHBondContact O-N 3.38Å; S45-L49 VanDerWaalsContact O-N 3.09Å; S45-V177 PolarHBondContact N-O 3.47Å
46	L	98.3	Very high	97.4	Very high	49 Å²	49	38.4 Å²	38.4	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-58.9	-41.2	176.3	-64.7	-176	0	0	0	112.1	L19 W40 F44 S48 L49 Q50 E57	L19-L46 HydrophobicContact CD1-CD2 3.66Å; W40-L46 HydrophobicContact CB-CD2 4.04Å; F44-L46 PolarHBondContact O-N 3.18Å; L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 3.04Å; L46-L49 HydrophobicContact CD2-CD1 4.22Å; L46-L49 WeakPolarHBondContact O-CB 3.15Å; L46-L49 PolarHBondContact O-N 2.84Å; L46-L49 VanDerWaalsContact O-N 3.15Å; L46-Q50 WeakPolarHBondContact O-CB 3.49Å; L46-Q50 VanDerWaalsContact O-CG 3.23Å; L46-Q50 WeakPolarHBondContact O-CG 3.46Å; L46-Q50 PolarHBondContact O-N 2.99Å; L46-E57 HydrophobicContact CD1-CG 3.95Å
47	T	97.8	Very high	97.8	Very high	101 Å²	101	37.8 Å²	37.8	62%	0.62	21%	0.213	S	C	*	.	H	α-helix	trans	-60.7	-36.7	176.3	51.8	0	0	0	0	112.5	S45 A51	S45-T47 VanDerWaalsContact C-N 3.3Å; S45-T47 PolarHBondContact O-N 3.13Å; S45-T47 PolarHBondContact OG-OG1 3.17Å; T47-A51 PolarHBondContact O-N 3.44Å; T47-A51 VanDerWaalsContact O-N 3.09Å
48	S	98.1	Very high	97.9	Very high	8 Å²	8	34.2 Å²	34.2	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-67.4	-42.3	175.3	-61.9	0	0	0	0	111.8	S45 L46 A51 S175 W209	S45-S48 WeakPolarHBondContact CB-OG 3.49Å; S45-S48 WeakPolarHBondContact O-CB 3.24Å; S45-S48 PolarHBondContact O-N 2.87Å; S45-S48 VanDerWaalsContact O-N 3.12Å; S45-S48 WeakPolarHBondContact OG-CB 3.46Å; S45-S48 PolarHBondContact OG-N 3.27Å; S45-S48 PolarHBondContact OG-OG 3.45Å; L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 3.04Å; S48-A51 PolarHBondContact O-N 3.21Å; S48-S175 CarbonylContact C-O 3.41Å; S48-S175 VanDerWaalsContact CB-O 3.28Å; S48-S175 WeakPolarHBondContact CB-O 3.34Å; S48-S175 WeakPolarHBondContact O-CB 3.3Å; S48-W209 PolarHBondContact O-NE1 3.09Å
49	L	98.4	Very high	98	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.063	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-45.3	175.1	-66.3	172.7	0	0	0	111.4	L19 W40 F44 S45 L46 A51 N52 V53 V55 S175 M176	L19-L49 HydrophobicContact CD1-CD1 4.25Å; W40-L49 HydrophobicContact CE3-CD1 4.12Å; F44-L49 HydrophobicContact CB-CD1 4.12Å; S45-L49 PolarHBondContact O-N 3.38Å; S45-L49 VanDerWaalsContact O-N 3.09Å; L46-L49 HydrophobicContact CD2-CD1 4.22Å; L46-L49 WeakPolarHBondContact O-CB 3.15Å; L46-L49 PolarHBondContact O-N 2.84Å; L46-L49 VanDerWaalsContact O-N 3.15Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.26Å; L49-N52 WeakPolarHBondContact O-CB 3.49Å; L49-N52 PolarHBondContact O-N 3.16Å; L49-V53 PolarHBondContact O-N 2.64Å; L49-V55 HydrophobicContact CB-CG2 3.76Å; L49-S175 PolarHBondContact N-O 3.08Å; L49-M176 HydrophobicContact CD2-CB 4.41Å; L49-M176 HydrophobicContact CD2-CG 3.85Å
50	Q	97.9	Very high	98	Very high	90 Å²	90	40.9 Å²	40.9	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-33.5	179.3	-74.4	171.6	-26.3	0	0	112.6	L46 N52 V53 V55	L46-Q50 WeakPolarHBondContact O-CB 3.49Å; L46-Q50 VanDerWaalsContact O-CG 3.23Å; L46-Q50 WeakPolarHBondContact O-CG 3.46Å; L46-Q50 PolarHBondContact O-N 2.99Å; Q50-N52 PolarHBondContact O-N 2.96Å; Q50-N52 VanDerWaalsContact O-N 3.14Å; Q50-V53 VanDerWaalsContact CA-O 3.29Å; Q50-V53 WeakPolarHBondContact CA-O 3.25Å; Q50-V55 HydrophobicContact CB-CG2 4.47Å; Q50-V55 HydrophobicContact CG-CG2 3.48Å; Q50-V55 VanDerWaalsContact CG-CG2 3.48Å; Q50-V55 PolarHBondContact NE2-O 3.38Å; Q50-V55 VanDerWaalsContact NE2-O 3.14Å
51	A	97.1	Very high	98	Very high	65 Å²	65	40.2 Å²	40.2	54%	0.537	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.1	173.5	0	0	0	0	0	113.6	T47 S48 L49 W209	T47-A51 PolarHBondContact O-N 3.44Å; T47-A51 VanDerWaalsContact O-N 3.09Å; S48-A51 PolarHBondContact O-N 3.21Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.26Å; A51-W209 HydrophobicContact CB-CZ2 4.4Å
52	N	97.5	Very high	97.9	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.15	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-45.7	179	171.1	64.7	0	0	0	113.5	K6 L49 Q50 T172 S175 W209	K6-N52 WeakPolarHBondContact CE-OD1 3.44Å; K6-N52 PolarHBondContact NZ-OD1 2.99Å; L49-N52 WeakPolarHBondContact O-CB 3.49Å; L49-N52 PolarHBondContact O-N 3.16Å; Q50-N52 PolarHBondContact O-N 2.96Å; Q50-N52 VanDerWaalsContact O-N 3.14Å; N52-T172 WeakPolarHBondContact ND2-CA 3.35Å; N52-T172 PolarHBondContact ND2-OG1 3.27Å; N52-T172 VanDerWaalsContact ND2-OG1 3.1Å; N52-S175 WeakPolarHBondContact CB-OG 3.49Å; N52-S175 PolarHBondContact ND2-OG 3.31Å; N52-W209 HydrophobicContact CB-CH2 4.33Å; N52-W209 HydrophobicContact CB-CZ2 3.81Å
53	V	97.1	Very high	97.9	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.042	23%	0.231	C	C	.	.	S	Bend	trans	-144.6	149.5	171.9	-53.8	0	0	0	0	109.3	A2 K6 L17 L49 Q50 V55	A2-V53 HydrophobicContact CB-CG1 4.17Å; A2-V53 HydrophobicContact CB-CG2 4.24Å; K6-V53 HydrophobicContact CD-CG1 4.1Å; K6-V53 VanDerWaalsContact CE-CG1 3.47Å; K6-V53 HydrophobicContact CG-CG1 3.55Å; L17-V53 HydrophobicContact CD2-CG2 4.34Å; L49-V53 PolarHBondContact O-N 2.64Å; Q50-V53 VanDerWaalsContact CA-O 3.29Å; Q50-V53 WeakPolarHBondContact CA-O 3.25Å; V53-V55 HydrophobicContact CG2-CG1 3.58Å; V53-V55 PolarHBondContact O-N 3.41Å; V53-V55 VanDerWaalsContact O-N 3.15Å
54	P	97.6	Very high	97.7	Very high	43 Å²	43	46.5 Å²	46.5	28%	0.279	26%	0.26	S	S	.	.			trans	-61	119.9	173.4	-20.9	33.8	0	0	0	109.9	V16 L17	V16-P54 HydrophobicContact CG1-CB 4.25Å; V16-P54 HydrophobicContact CG2-CB 4.21Å; L17-P54 PolarHBondContact N-O 2.82Å
55	V	98.5	Very high	97.5	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.2	177.6	-60.2	0	0	0	0	110.2	L17 L19 L49 Q50 V53	L17-V55 HydrophobicContact CB-CG1 4.14Å; L17-V55 HydrophobicContact CD2-CG1 4.28Å; L17-V55 HydrophobicContact CG-CG1 4.49Å; L17-V55 VanDerWaalsContact O-CA 3.25Å; L17-V55 WeakPolarHBondContact O-CA 3.33Å; L19-V55 HydrophobicContact CD1-CB 4.07Å; L19-V55 HydrophobicContact CD1-CG2 4.13Å; L19-V55 HydrophobicContact CD2-CB 4.05Å; L19-V55 HydrophobicContact CD2-CG1 3.96Å; L19-V55 HydrophobicContact CG-CB 3.99Å; L19-V55 HydrophobicContact CG-CG1 4.45Å; L49-V55 HydrophobicContact CB-CG2 3.76Å; Q50-V55 HydrophobicContact CB-CG2 4.47Å; Q50-V55 HydrophobicContact CG-CG2 3.48Å; Q50-V55 VanDerWaalsContact CG-CG2 3.48Å; Q50-V55 PolarHBondContact NE2-O 3.38Å; Q50-V55 VanDerWaalsContact NE2-O 3.14Å; V53-V55 HydrophobicContact CG2-CG1 3.58Å; V53-V55 PolarHBondContact O-N 3.41Å; V53-V55 VanDerWaalsContact O-N 3.15Å
56	I	98.5	Very high	97.1	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.108	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.7	170.9	61	176.5	0	0	0	109.6	V16 L17 V18 L19 E60 F61	V16-I56 HydrophobicContact CG1-CB 4.4Å; V16-I56 HydrophobicContact CG1-CD1 4.19Å; V16-I56 HydrophobicContact CG1-CG1 3.89Å; V16-I56 HydrophobicContact CG1-CG2 3.94Å; L17-I56 PolarHBondContact O-N 3.38Å; V18-I56 HydrophobicContact CG2-CD1 4.21Å; V18-I56 HydrophobicContact CG2-CG1 4.11Å; L19-I56 WeakPolarHBondContact CG-O 2.96Å; L19-I56 PolarHBondContact N-O 3.01Å; I56-E60 HydrophobicContact CB-CB 4.26Å; I56-E60 HydrophobicContact CB-CG 4.12Å; I56-E60 WeakPolarHBondContact CB-OE2 3.04Å; I56-E60 HydrophobicContact CG2-CG 4.29Å; I56-F61 HydrophobicContact CD1-CB 3.94Å
57	E	98.7	Very high	97	Very high	24 Å²	24	48.8 Å²	48.8	11%	0.112	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	159.5	172.1	-67.6	-74.7	-170.1	0	0	110.7	P39 W40 G41 L46 E59 E60 F61	P39-E57 HydrophobicContact CB-CG 4.41Å; P39-E57 WeakPolarHBondContact CB-OE1 3.45Å; W40-E57 WeakPolarHBondContact CA-OE1 3.39Å; W40-E57 WeakPolarHBondContact CB-OE1 3.43Å; W40-E57 PolarHBondContact N-OE1 3.22Å; W40-E57 PolarHBondContact N-OE2 2.95Å; W40-E57 VanDerWaalsContact N-OE2 3.1Å; G41-E57 PolarHBondContact N-OE1 3.24Å; L46-E57 HydrophobicContact CD1-CG 3.95Å; E57-E59 VanDerWaalsContact C-N 3.31Å; E57-E59 PolarHBondContact O-N 3.48Å; E57-E60 WeakPolarHBondContact O-CB 3.13Å; E57-E60 PolarHBondContact O-N 2.81Å; E57-F61 PolarHBondContact O-N 3.29Å; E57-F61 VanDerWaalsContact O-N 3.07Å
58	Y	98.3	Very high	96.9	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-35.3	-179.2	-176	-115.8	0	0	0	113.7	V18 P21 E60 F61 I62 W116 Y118 T121	V18-Y58 HydrophobicContact CG1-CD2 3.85Å; P21-Y58 VanDerWaalsContact CG-CB 3.46Å; P21-Y58 HydrophobicContact CG-CD1 3.89Å; P21-Y58 HydrophobicContact CG-CG 3.89Å; Y58-E60 VanDerWaalsContact C-N 3.33Å; Y58-F61 AromaticContact CD2-CD1 3.9Å; Y58-F61 HydrophobicContact CD2-CD1 3.9Å; Y58-F61 AromaticContact CE2-CD1 3.63Å; Y58-F61 HydrophobicContact CE2-CD1 3.63Å; Y58-F61 AromaticContact CE2-CE1 3.96Å; Y58-F61 HydrophobicContact CE2-CE1 3.96Å; Y58-F61 WeakPolarHBondContact O-CB 3.43Å; Y58-F61 PolarHBondContact O-N 3.14Å; Y58-I62 HydrophobicContact CD1-CD1 4.01Å; Y58-I62 HydrophobicContact CE1-CD1 3.6Å; Y58-I62 HydrophobicContact CE1-CG1 4.19Å; Y58-I62 WeakPolarHBondContact O-CG1 3.25Å; Y58-I62 PolarHBondContact O-N 3.48Å; Y58-W116 HydrophobicContact CD2-CE3 4.28Å; Y58-W116 AromaticContact CD2-CZ3 3.96Å; Y58-W116 HydrophobicContact CD2-CZ3 3.96Å; Y58-W116 HydrophobicContact CE1-CE3 4.28Å; Y58-W116 HydrophobicContact CE2-CE3 4.05Å; Y58-W116 AromaticContact CE2-CZ3 3.55Å; Y58-W116 HydrophobicContact CE2-CZ3 3.55Å; Y58-W116 AromaticContact CZ-CZ3 3.89Å; Y58-Y118 HydrophobicContact CD1-CD1 4.32Å; Y58-Y118 AromaticContact CD1-CD2 3.8Å; Y58-Y118 HydrophobicContact CD1-CD2 3.8Å; Y58-Y118 HydrophobicContact CD1-CE1 4.23Å; Y58-Y118 AromaticContact CD1-CE2 3.69Å; Y58-Y118 HydrophobicContact CD1-CE2 3.69Å; Y58-Y118 HydrophobicContact CD1-CG 4.14Å; Y58-Y118 AromaticContact CD1-CZ 3.91Å; Y58-Y118 AromaticContact CE1-CD1 3.99Å; Y58-Y118 HydrophobicContact CE1-CD1 3.99Å; Y58-Y118 AromaticContact CE1-CD2 3.69Å; Y58-Y118 HydrophobicContact CE1-CD2 3.69Å; Y58-Y118 HydrophobicContact CE1-CE1 4.35Å; Y58-Y118 HydrophobicContact CE1-CE2 4.07Å; Y58-Y118 AromaticContact CE1-CG 3.66Å; Y58-Y118 HydrophobicContact CE1-CG 3.66Å; Y58-T121 WeakPolarHBondContact OH-CB 3.43Å; Y58-T121 WeakPolarHBondContact OH-CG2 3.21Å; Y58-T121 PolarHBondContact OH-OG1 3.47Å
59	E	97.4	Very high	96.8	Very high	121 Å²	121	47.9 Å²	47.9	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-70.1	-32	177.6	-62.2	-167.7	166.6	0	0	112.4	E57 I62 A63 Y118	E57-E59 VanDerWaalsContact C-N 3.31Å; E57-E59 PolarHBondContact O-N 3.48Å; E59-I62 PolarHBondContact O-N 2.91Å; E59-A63 PolarHBondContact O-N 2.55Å; E59-A63 VanDerWaalsContact O-N 3.12Å; E59-Y118 HydrophobicContact CG-CE1 4.18Å; E59-Y118 WeakPolarHBondContact CG-OH 3.43Å; E59-Y118 PolarHBondContact OE1-OH 2.99Å
60	E	98	Very high	96.8	Very high	84 Å²	84	47.6 Å²	47.6	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-43	172	-174.3	172.2	-163.5	0	0	110.3	I56 E57 Y58 I62 A63 E64	I56-E60 HydrophobicContact CB-CB 4.26Å; I56-E60 HydrophobicContact CB-CG 4.12Å; I56-E60 WeakPolarHBondContact CB-OE2 3.04Å; I56-E60 HydrophobicContact CG2-CG 4.29Å; E57-E60 WeakPolarHBondContact O-CB 3.13Å; E57-E60 PolarHBondContact O-N 2.81Å; Y58-E60 VanDerWaalsContact C-N 3.33Å; E60-I62 VanDerWaalsContact C-N 3.34Å; E60-I62 PolarHBondContact O-N 2.99Å; E60-A63 PolarHBondContact O-N 3.18Å; E60-A63 VanDerWaalsContact O-N 3.14Å; E60-E64 WeakPolarHBondContact O-CG 3.17Å; E60-E64 PolarHBondContact O-N 3.23Å
61	F	97.9	Very high	96.7	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.096	27%	0.268	C	S	.	.	H	α-helix	trans	-55.6	-46	171	162.1	-101.5	0	0	0	112.5	V18 I56 E57 Y58 A63 E64 N65 I70	V18-F61 HydrophobicContact CB-CB 4.42Å; V18-F61 HydrophobicContact CG1-CB 3.63Å; V18-F61 HydrophobicContact CG1-CD1 4.47Å; V18-F61 HydrophobicContact CG1-CG 4.06Å; V18-F61 HydrophobicContact CG2-CB 3.84Å; V18-F61 HydrophobicContact CG2-CD2 3.83Å; V18-F61 HydrophobicContact CG2-CG 3.9Å; I56-F61 HydrophobicContact CD1-CB 3.94Å; E57-F61 PolarHBondContact O-N 3.29Å; E57-F61 VanDerWaalsContact O-N 3.07Å; Y58-F61 AromaticContact CD2-CD1 3.9Å; Y58-F61 HydrophobicContact CD2-CD1 3.9Å; Y58-F61 AromaticContact CE2-CD1 3.63Å; Y58-F61 HydrophobicContact CE2-CD1 3.63Å; Y58-F61 AromaticContact CE2-CE1 3.96Å; Y58-F61 HydrophobicContact CE2-CE1 3.96Å; Y58-F61 WeakPolarHBondContact O-CB 3.43Å; Y58-F61 PolarHBondContact O-N 3.14Å; F61-A63 VanDerWaalsContact C-N 3.27Å; F61-A63 PolarHBondContact O-N 3.37Å; F61-E64 PolarHBondContact O-N 2.96Å; F61-N65 HydrophobicContact CD2-CB 4.05Å; F61-N65 HydrophobicContact CE2-CB 3.7Å; F61-N65 HydrophobicContact CZ-CB 4.05Å; F61-N65 WeakPolarHBondContact O-CB 3.27Å; F61-N65 PolarHBondContact O-N 3.27Å; F61-I70 HydrophobicContact CE1-CG1 4.28Å; F61-I70 HydrophobicContact CZ-CG1 4.37Å
62	I	97.2	Very high	96.7	Very high	35 Å²	35	42.3 Å²	42.3	18%	0.179	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-42.6	178.2	-68	172.4	0	0	0	110.8	Y58 E59 E60 G67 P68 Y118	Y58-I62 HydrophobicContact CD1-CD1 4.01Å; Y58-I62 HydrophobicContact CE1-CD1 3.6Å; Y58-I62 HydrophobicContact CE1-CG1 4.19Å; Y58-I62 WeakPolarHBondContact O-CG1 3.25Å; Y58-I62 PolarHBondContact O-N 3.48Å; E59-I62 PolarHBondContact O-N 2.91Å; E60-I62 VanDerWaalsContact C-N 3.34Å; E60-I62 PolarHBondContact O-N 2.99Å; I62-G67 PolarHBondContact O-N 2.78Å; I62-P68 HydrophobicContact CD1-CB 4.1Å; I62-P68 HydrophobicContact CG1-CB 4.1Å; I62-P68 HydrophobicContact CG2-CB 4.2Å; I62-Y118 HydrophobicContact CD1-CD1 4.24Å; I62-Y118 HydrophobicContact CD1-CE1 4.38Å
63	A	96.6	Very high	96.7	Very high	80 Å²	80	41 Å²	41	66%	0.661	24%	0.238	S	C	*	.	H	α-helix	trans	-67	-45.6	-179.4	0	0	0	0	0	112.1	E59 E60 F61	E59-A63 PolarHBondContact O-N 2.55Å; E59-A63 VanDerWaalsContact O-N 3.12Å; E60-A63 PolarHBondContact O-N 3.18Å; E60-A63 VanDerWaalsContact O-N 3.14Å; F61-A63 VanDerWaalsContact C-N 3.27Å; F61-A63 PolarHBondContact O-N 3.37Å
64	E	95.2	Very high	96.8	Very high	138 Å²	138	40.7 Å²	40.7	65%	0.645	24%	0.236	S	C	*	.	H	α-helix	trans	-74.1	-35.1	-177.8	-68.3	-170	171.4	0	0	113.3	E60 F61 G66	E60-E64 WeakPolarHBondContact O-CG 3.17Å; E60-E64 PolarHBondContact O-N 3.23Å; F61-E64 PolarHBondContact O-N 2.96Å; E64-G66 PolarHBondContact O-N 3.15Å
65	N	92.8	Very high	96.8	Very high	50 Å²	50	39.5 Å²	39.5	27%	0.267	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.3	-178.4	-169.2	66.7	0	0	0	113.1	F61 G67 F69	F61-N65 HydrophobicContact CD2-CB 4.05Å; F61-N65 HydrophobicContact CE2-CB 3.7Å; F61-N65 HydrophobicContact CZ-CB 4.05Å; F61-N65 WeakPolarHBondContact O-CB 3.27Å; F61-N65 PolarHBondContact O-N 3.27Å; N65-G67 VanDerWaalsContact C-N 3.33Å; N65-G67 PolarHBondContact ND2-O 3.1Å; N65-F69 PolarHBondContact ND2-O 3.43Å
66	G	91.3	Very high	96.8	Very high	75 Å²	75	39.4 Å²	39.4	77%	0.773	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	17.4	-179.7	0	0	0	0	0	114.2	E64	E64-G66 PolarHBondContact O-N 3.15Å
67	G	94.4	Very high	96.7	Very high	12 Å²	12	39.5 Å²	39.5	12%	0.124	23%	0.227	C	C	.	.	S	Bend	trans	146.9	173.4	176.6	0	0	0	0	0	113.8	I62 N65 F69	I62-G67 PolarHBondContact O-N 2.78Å; N65-G67 VanDerWaalsContact C-N 3.33Å; N65-G67 PolarHBondContact ND2-O 3.1Å; G67-F69 PolarHBondContact O-N 3.41Å
68	P	96.3	Very high	96.6	Very high	28 Å²	28	43.4 Å²	43.4	18%	0.182	25%	0.249	C	C	.	.	S	Bend	trans	-83.1	51.2	-173.9	37.8	-38.7	0	0	0	111.7	I62 E120 T121 R122	I62-P68 HydrophobicContact CD1-CB 4.1Å; I62-P68 HydrophobicContact CG1-CB 4.1Å; I62-P68 HydrophobicContact CG2-CB 4.2Å; P68-E120 HydrophobicContact CB-CG 4.24Å; P68-E120 HydrophobicContact CG-CB 4.28Å; P68-E120 HydrophobicContact CG-CG 4.23Å; P68-T121 CarbonylContact O-C 3.5Å; P68-T121 WeakPolarHBondContact O-CA 3.18Å; P68-R122 PolarHBondContact O-N 2.73Å
69	F	97.2	Very high	96.4	Very high	62 Å²	62	43.7 Å²	43.7	27%	0.272	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.7	-178.7	-67.7	-83.9	0	0	0	111.1	N65 G67 Y110 R122	N65-F69 PolarHBondContact ND2-O 3.43Å; G67-F69 PolarHBondContact O-N 3.41Å; F69-Y110 HydrophobicContact CE1-CD2 4.37Å; F69-Y110 HydrophobicContact CE1-CE2 4.25Å; F69-R122 CarbonylContact C-O 3.59Å; F69-R122 VanDerWaalsContact CA-O 3.31Å; F69-R122 WeakPolarHBondContact CA-O 3.43Å; F69-R122 HydrophobicContact CD1-CB 3.74Å; F69-R122 HydrophobicContact CE1-CB 3.81Å; F69-R122 HydrophobicContact CE1-CG 4.16Å
70	I	97.7	Very high	96.3	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.2	171.2	-59.8	169.9	0	0	0	107.4	F61 V73 F115 W116 T121 R122 A123 R124 S150 M152	F61-I70 HydrophobicContact CE1-CG1 4.28Å; F61-I70 HydrophobicContact CZ-CG1 4.37Å; I70-V73 HydrophobicContact CG2-CG2 4.25Å; I70-F115 HydrophobicContact CD1-CD1 3.98Å; I70-F115 HydrophobicContact CD1-CE1 3.86Å; I70-W116 HydrophobicContact CD1-CZ3 4.37Å; I70-T121 HydrophobicContact CD1-CG2 3.94Å; I70-T121 HydrophobicContact CG1-CG2 4.36Å; I70-R122 PolarHBondContact N-O 3.06Å; I70-A123 HydrophobicContact CB-CB 4.49Å; I70-A123 CarbonylContact O-C 3.26Å; I70-A123 WeakPolarHBondContact O-CA 3.37Å; I70-R124 PolarHBondContact O-N 3.39Å; I70-S150 WeakPolarHBondContact CA-OG 3.31Å; I70-M152 HydrophobicContact CD1-CB 4.35Å; I70-M152 HydrophobicContact CD1-SD 4.04Å; I70-M152 HydrophobicContact CG2-CB 3.95Å
71	D	96.4	Very high	96	Very high	32 Å²	32	42.7 Å²	42.7	17%	0.171	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-44.4	-176.3	-66.1	-36.7	0	0	0	111.4	R124 N125 A148 V149 S150	D71-R124 WeakPolarHBondContact O-CB 3.29Å; D71-R124 VanDerWaalsContact OD1-CD 3.25Å; D71-R124 WeakPolarHBondContact OD1-CD 3.29Å; D71-R124 IonicContact OD1-NE 2.56Å; D71-R124 PolarHBondContact OD1-NE 3.26Å; D71-N125 PolarHBondContact O-N 2.92Å; D71-N125 VanDerWaalsContact O-N 3.1Å; D71-A148 HydrophobicContact CB-CB 3.83Å; D71-V149 WeakPolarHBondContact OD2-CB 3.11Å; D71-V149 PolarHBondContact OD2-N 2.82Å; D71-S150 WeakPolarHBondContact CB-O 3.38Å; D71-S150 PolarHBondContact N-O 2.97Å; D71-S150 PolarHBondContact N-OG 2.82Å; D71-S150 PolarHBondContact OD2-N 3.45Å; D71-S150 PolarHBondContact OD2-OG 3.18Å
72	Q	96.7	Very high	95.6	Very high	12 Å²	12	43 Å²	43	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.8	-177.6	-175.5	66.2	56.4	0	0	111.6	L74 N125 T127 F146 A148 S150 V151 M152	Q72-L74 HydrophobicContact CG-CD2 3.64Å; Q72-L74 HydrophobicContact CG-CG 4.02Å; Q72-N125 PolarHBondContact NE2-ND2 3.2Å; Q72-N125 PolarHBondContact OE1-ND2 3.47Å; Q72-T127 PolarHBondContact NE2-OG1 3.37Å; Q72-T127 VanDerWaalsContact NE2-OG1 3.12Å; Q72-F146 HydrophobicContact CG-CD1 4Å; Q72-F146 HydrophobicContact CG-CE1 3.93Å; Q72-A148 HydrophobicContact CB-CB 4.06Å; Q72-S150 PolarHBondContact N-O 3.06Å; Q72-S150 VanDerWaalsContact N-O 3.09Å; Q72-V151 HydrophobicContact CB-CG1 4.42Å; Q72-V151 HydrophobicContact CB-CG2 4.31Å; Q72-V151 HydrophobicContact CG-CG1 4.5Å; Q72-V151 CarbonylContact O-C 3.17Å; Q72-V151 VanDerWaalsContact O-CA 3.3Å; Q72-V151 WeakPolarHBondContact O-CA 3.45Å; Q72-M152 PolarHBondContact O-N 3.07Å
73	V	97.8	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.3	163.3	179.9	0	0	0	0	108.3	I70 V75 Y103 F115 A123 N125 V126 T127 M152 D154	I70-V73 HydrophobicContact CG2-CG2 4.25Å; V73-V75 HydrophobicContact CG1-CG2 4.11Å; V73-Y103 HydrophobicContact CG1-CE1 4.38Å; V73-Y103 HydrophobicContact CG1-CE2 4.22Å; V73-F115 HydrophobicContact CG2-CE1 4.13Å; V73-F115 HydrophobicContact CG2-CZ 4.34Å; V73-A123 HydrophobicContact CG2-CB 3.45Å; V73-A123 VanDerWaalsContact CG2-CB 3.45Å; V73-N125 PolarHBondContact N-O 2.99Å; V73-V126 HydrophobicContact CB-CB 4.48Å; V73-V126 HydrophobicContact CB-CG1 4.34Å; V73-V126 HydrophobicContact CB-CG2 4.08Å; V73-V126 HydrophobicContact CG1-CG1 4.41Å; V73-V126 HydrophobicContact CG2-CG2 4.41Å; V73-V126 WeakPolarHBondContact O-CA 3.38Å; V73-T127 PolarHBondContact O-N 3.36Å; V73-M152 CarbonylContact C-O 3.55Å; V73-M152 WeakPolarHBondContact CA-O 3.33Å; V73-M152 HydrophobicContact CG2-CB 4.19Å; V73-M152 HydrophobicContact CG2-SD 4.27Å; V73-D154 HydrophobicContact CG1-CB 4.3Å
74	L	97.4	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.8	172.7	-55.8	175.8	0	0	0	107.5	Q72 L76 T127 L129 M138 L142 F146 V151 M152 L153 D154	Q72-L74 HydrophobicContact CG-CD2 3.64Å; Q72-L74 HydrophobicContact CG-CG 4.02Å; L74-L76 PolarHBondContact O-N 3.32Å; L74-T127 WeakPolarHBondContact CA-O 3.25Å; L74-T127 VanDerWaalsContact CD2-OG1 3.23Å; L74-T127 WeakPolarHBondContact CD2-OG1 3.31Å; L74-L129 HydrophobicContact CB-CD1 4.03Å; L74-L129 HydrophobicContact CB-CG 4.36Å; L74-L129 HydrophobicContact CD1-CD1 3.77Å; L74-L129 HydrophobicContact CD2-CD1 4.02Å; L74-L129 HydrophobicContact CD2-CG 4.25Å; L74-L129 HydrophobicContact CG-CD1 4.15Å; L74-M138 HydrophobicContact CD1-CE 4.27Å; L74-L142 HydrophobicContact CD1-CD2 3.94Å; L74-F146 HydrophobicContact CD1-CE2 3.82Å; L74-F146 HydrophobicContact CD1-CZ 4.07Å; L74-F146 HydrophobicContact CD2-CE1 3.99Å; L74-F146 HydrophobicContact CD2-CE2 4.14Å; L74-F146 HydrophobicContact CD2-CZ 3.51Å; L74-F146 HydrophobicContact CG-CZ 4.42Å; L74-V151 HydrophobicContact CD1-CG1 3.7Å; L74-V151 HydrophobicContact CG-CG1 3.98Å; L74-M152 PolarHBondContact N-O 3.12Å; L74-L153 HydrophobicContact CB-CD2 3.76Å; L74-L153 HydrophobicContact CD1-CD2 3.68Å; L74-L153 HydrophobicContact CG-CD2 4.19Å; L74-D154 PolarHBondContact O-N 2.92Å
75	V	98.2	Very high	92.6	Very high	19 Å²	19	50.8 Å²	50.8	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	108.3	177	-175.9	0	0	0	0	108.1	V73 L101 Y103 V126 T127 C128 L129 D154 R155	V73-V75 HydrophobicContact CG1-CG2 4.11Å; V75-L101 HydrophobicContact CB-CD2 4.45Å; V75-L101 HydrophobicContact CG2-CD2 3.93Å; V75-Y103 HydrophobicContact CG2-CD2 4.15Å; V75-Y103 HydrophobicContact CG2-CE2 3.79Å; V75-V126 HydrophobicContact CG2-CG1 3.89Å; V75-T127 PolarHBondContact N-O 2.81Å; V75-C128 CarbonylContact O-C 3.54Å; V75-C128 VanDerWaalsContact O-CA 3.31Å; V75-C128 WeakPolarHBondContact O-CA 3.35Å; V75-L129 PolarHBondContact O-N 3.26Å; V75-D154 HydrophobicContact CG2-CB 4.4Å; V75-R155 HydrophobicContact CG1-CG 4.39Å
76	L	98.1	Very high	91.5	Very high	3 Å²	3	52 Å²	52	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.4	179.6	-58.9	172.7	0	0	0	110.3	L74 L129 A131 M138 L153 D154 R155 T158 L159	L74-L76 PolarHBondContact O-N 3.32Å; L76-L129 WeakPolarHBondContact CA-O 3.4Å; L76-L129 HydrophobicContact CD2-CB 4.14Å; L76-A131 HydrophobicContact CD2-CB 4.23Å; L76-M138 HydrophobicContact CD2-CE 4.38Å; L76-M138 HydrophobicContact CD2-SD 4.17Å; L76-L153 HydrophobicContact CD1-CB 4.2Å; L76-D154 WeakPolarHBondContact CB-O 3.49Å; L76-D154 WeakPolarHBondContact CG-O 3.18Å; L76-D154 PolarHBondContact N-O 3.24Å; L76-R155 HydrophobicContact CB-CB 4.33Å; L76-R155 VanDerWaalsContact O-CB 3.31Å; L76-R155 WeakPolarHBondContact O-CB 3.46Å; L76-T158 HydrophobicContact CB-CG2 4.41Å; L76-L159 HydrophobicContact CD1-CD1 3.55Å; L76-L159 HydrophobicContact CD1-CG 3.89Å
77	Q	97.6	Very high	90.7	Very high	22 Å²	22	56.5 Å²	56.5	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	163.6	178	61.1	-179.6	27.1	0	0	110.2	A96 I98 L129 S130 A131	Q77-A96 PolarHBondContact NE2-O 2.97Å; Q77-I98 HydrophobicContact CB-CD1 4.39Å; Q77-I98 HydrophobicContact CG-CD1 4.23Å; Q77-L129 WeakPolarHBondContact CG-O 3.47Å; Q77-L129 PolarHBondContact N-O 3.19Å; Q77-S130 PolarHBondContact NE2-OG 2.69Å; Q77-S130 VanDerWaalsContact NE2-OG 3.12Å; Q77-S130 CarbonylContact O-C 3.56Å; Q77-S130 VanDerWaalsContact O-CA 3.26Å; Q77-S130 WeakPolarHBondContact O-CA 3.38Å; Q77-A131 PolarHBondContact O-N 3.21Å
78	N	96.1	Very high	90.1	Very high	107 Å²	107	60.9 Å²	60.9	57%	0.572	33%	0.332	S	S	*	.			trans	-71.2	165.3	170.1	-65.8	-45.9	0	0	0	110.7	I98 S130	N78-I98 VanDerWaalsContact O-CD1 3.23Å; N78-I98 WeakPolarHBondContact O-CD1 3.28Å; N78-S130 PolarHBondContact O-OG 3.04Å; N78-S130 VanDerWaalsContact O-OG 3.05Å
79	Y	95.3	Very high	89.9	Confident	10 Å²	10	64.7 Å²	64.7	4%	0.039	35%	0.347	C	S	.	.			trans	-69.9	128.9	165.2	-76.5	-93.9	0	0	0	109.4	E81 G82 K91 V92 D93 S130 Q132	Y79-E81 PolarHBondContact O-N 3.44Å; Y79-G82 PolarHBondContact O-N 3.39Å; Y79-K91 HydrophobicContact CE1-CD 3.97Å; Y79-K91 HydrophobicContact CE1-CG 4.48Å; Y79-K91 HydrophobicContact CE2-CD 3.97Å; Y79-K91 HydrophobicContact CE2-CG 3.69Å; Y79-K91 WeakPolarHBondContact OH-CD 3.41Å; Y79-K91 VanDerWaalsContact OH-CG 3.24Å; Y79-K91 WeakPolarHBondContact OH-CG 3.28Å; Y79-K91 PolarHBondContact OH-O 3.32Å; Y79-V92 WeakPolarHBondContact OH-CA 3.47Å; Y79-V92 PolarHBondContact OH-N 3.31Å; Y79-D93 HydrophobicContact CE1-CB 4.31Å; Y79-D93 VanDerWaalsContact CE1-OD2 3.26Å; Y79-D93 WeakPolarHBondContact CE1-OD2 3.13Å; Y79-D93 PolarHBondContact OH-N 2.88Å; Y79-D93 PolarHBondContact OH-OD2 3.4Å; Y79-S130 PolarHBondContact OH-O 2.9Å; Y79-Q132 HydrophobicContact CD2-CB 3.97Å; Y79-Q132 HydrophobicContact CE2-CB 3.91Å
80	A	94.5	Very high	89.7	Confident	79 Å²	79	66.2 Å²	66.2	65%	0.653	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.9	-176.6	0	0	0	0	0	111.9	G82 I98	A80-G82 PolarHBondContact O-N 3.25Å; A80-I98 HydrophobicContact CB-CD1 3.82Å; A80-I98 HydrophobicContact CB-CG1 4.14Å
81	E	92.4	Very high	89.6	Confident	105 Å²	105	68.5 Å²	68.5	49%	0.491	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.8	175.4	59.1	-92.8	-132.9	0	0	113.8	Y79 R95	Y79-E81 PolarHBondContact O-N 3.44Å; E81-R95 IonicContact OE1-CZ 2.72Å; E81-R95 IonicContact OE1-NH1 3.31Å; E81-R95 PolarHBondContact OE1-NH1 2.94Å; E81-R95 VanDerWaalsContact OE1-NH1 3.1Å; E81-R95 IonicContact OE1-NH2 3.86Å; E81-R95 PolarHBondContact OE1-NH2 2.84Å; E81-R95 IonicContact OE2-NH1 3.59Å
82	G	89.3	Confident	89.6	Confident	29 Å²	29	68.2 Å²	68.2	30%	0.299	36%	0.364	S	S	.	.			trans	63.5	-152.9	-170.5	0	0	0	0	0	112.3	Y79 A80	Y79-G82 PolarHBondContact O-N 3.39Å; A80-G82 PolarHBondContact O-N 3.25Å
83	W	83.9	Confident	89.5	Confident	159 Å²	159	70.8 Å²	70.8	60%	0.602	38%	0.379	S	S	*	.			trans	-129.1	142.3	171.5	62.6	88.3	0	0	0	109.9
84	T	75.3	Confident	89.4	Confident	101 Å²	101	77.2 Å²	77.2	62%	0.62	41%	0.409	S	S	*	.			trans	-116	157.8	-179.4	49	0	0	0	0	111	G86 K87	T84-G86 VanDerWaalsContact C-N 3.33Å; T84-G86 PolarHBondContact O-N 3.05Å; T84-G86 VanDerWaalsContact O-N 3.16Å; T84-K87 PolarHBondContact O-N 2.88Å
85	D	66.9	Low	89.4	Confident	155 Å²	155	82 Å²	82	83%	0.829	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	29.4	167.1	-52.3	-32.2	0	0	0	117	K87	D85-K87 PolarHBondContact O-N 3.19Å; D85-K87 VanDerWaalsContact O-N 3.09Å
86	G	68	Low	89.3	Confident	77 Å²	77	85.3 Å²	85.3	79%	0.794	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	7.5	174.2	0	0	0	0	0	115	T84 W88	T84-G86 VanDerWaalsContact C-N 3.33Å; T84-G86 PolarHBondContact O-N 3.05Å; T84-G86 VanDerWaalsContact O-N 3.16Å; G86-W88 PolarHBondContact O-N 3.3Å
87	K	75.3	Confident	89.2	Confident	169 Å²	169	87.4 Å²	87.4	74%	0.735	47%	0.471	S	S	*	.			trans	-90.6	91.1	172.8	-71.7	-174.9	-179.2	178.3	0	109.7	T84 D85	T84-K87 PolarHBondContact O-N 2.88Å; D85-K87 PolarHBondContact O-N 3.19Å; D85-K87 VanDerWaalsContact O-N 3.09Å
88	W	83	Confident	89.2	Confident	103 Å²	103	90.9 Å²	90.9	39%	0.39	49%	0.489	S	S	.	.			trans	-85.4	111.9	165.3	-171	91	0	0	0	108.2	G86 E90 Q132 L160	G86-W88 PolarHBondContact O-N 3.3Å; W88-E90 HydrophobicContact CE3-CG 4.43Å; W88-E90 HydrophobicContact CH2-CG 3.71Å; W88-E90 HydrophobicContact CZ3-CG 3.5Å; W88-E90 VanDerWaalsContact CZ3-CG 3.5Å; W88-Q132 VanDerWaalsContact CD1-NE2 3.29Å; W88-Q132 HydrophobicContact CD2-CG 4.42Å; W88-Q132 HydrophobicContact CZ2-CG 4.01Å; W88-Q132 VanDerWaalsContact NE1-CG 3.32Å; W88-L160 HydrophobicContact CH2-CD1 4.29Å; W88-L160 HydrophobicContact CZ2-CD1 3.83Å
89	E	90.8	Very high	89	Confident	108 Å²	108	92.3 Å²	92.3	51%	0.505	49%	0.492	S	S	.	.			trans	-113	146	177.6	68.9	-173.3	173.6	0	0	110.8	K91 Q132	E89-K91 HydrophobicContact CG-CD 3.96Å; E89-K91 HydrophobicContact CG-CG 4.1Å; E89-K91 PolarHBondContact O-N 3.06Å; E89-K91 WeakPolarHBondContact OE1-CD 3.26Å; E89-K91 WeakPolarHBondContact OE1-CE 3.12Å; E89-K91 IonicContact OE1-NZ 3.67Å; E89-K91 PolarHBondContact OE1-NZ 2.91Å; E89-Q132 VanDerWaalsContact N-NE2 3.17Å; E89-Q132 WeakPolarHBondContact O-CG 3.2Å; E89-Q132 PolarHBondContact O-NE2 2.74Å
90	E	93.8	Very high	88.9	Confident	95 Å²	95	101 Å²	101	44%	0.444	53%	0.53	S	S	.	.			trans	-79.9	116.7	174.1	-76.4	-157	-136.9	0	0	109.6	W88 Q132 H134 I137	W88-E90 HydrophobicContact CE3-CG 4.43Å; W88-E90 HydrophobicContact CH2-CG 3.71Å; W88-E90 HydrophobicContact CZ3-CG 3.5Å; W88-E90 VanDerWaalsContact CZ3-CG 3.5Å; E90-Q132 CarbonylContact C-O 3.56Å; E90-Q132 VanDerWaalsContact CA-O 3.25Å; E90-Q132 WeakPolarHBondContact CA-O 3.46Å; E90-H134 IonicContact OE1-CE1 3.31Å; E90-H134 PolarHBondContact OE1-CE1 3.4Å; E90-H134 VanDerWaalsContact OE1-CE1 3.31Å; E90-H134 IonicContact OE1-CG 2.76Å; E90-H134 IonicContact OE1-ND1 2.71Å; E90-H134 PolarHBondContact OE1-ND1 2.86Å; E90-H134 PolarHBondContact OE2-N 3.27Å; E90-H134 IonicContact OE2-ND1 3Å; E90-I137 HydrophobicContact CB-CD1 3.59Å; E90-I137 HydrophobicContact CG-CD1 4.46Å
91	K	94.4	Very high	88.9	Confident	53 Å²	53	99.5 Å²	99.5	23%	0.23	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	155.2	177.3	53.7	173.2	178.5	-160.5	0	113.6	Y79 E89 Q132	Y79-K91 HydrophobicContact CE1-CD 3.97Å; Y79-K91 HydrophobicContact CE1-CG 4.48Å; Y79-K91 HydrophobicContact CE2-CD 3.97Å; Y79-K91 HydrophobicContact CE2-CG 3.69Å; Y79-K91 WeakPolarHBondContact OH-CD 3.41Å; Y79-K91 VanDerWaalsContact OH-CG 3.24Å; Y79-K91 WeakPolarHBondContact OH-CG 3.28Å; Y79-K91 PolarHBondContact OH-O 3.32Å; E89-K91 HydrophobicContact CG-CD 3.96Å; E89-K91 HydrophobicContact CG-CG 4.1Å; E89-K91 PolarHBondContact O-N 3.06Å; E89-K91 WeakPolarHBondContact OE1-CD 3.26Å; E89-K91 WeakPolarHBondContact OE1-CE 3.12Å; E89-K91 IonicContact OE1-NZ 3.67Å; E89-K91 PolarHBondContact OE1-NZ 2.91Å; K91-Q132 HydrophobicContact CG-CB 4.48Å; K91-Q132 PolarHBondContact N-O 3.15Å; K91-Q132 PolarHBondContact O-N 3.24Å
92	V	96.1	Very high	89	Confident	26 Å²	26	101.6 Å²	101.6	16%	0.158	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129	172.4	-176.6	0	0	0	0	108.9	Y79 L129 S130 A131 I137 M138 V141	Y79-V92 WeakPolarHBondContact OH-CA 3.47Å; Y79-V92 PolarHBondContact OH-N 3.31Å; V92-L129 HydrophobicContact CG1-CB 4.16Å; V92-L129 HydrophobicContact CG1-CD1 4.1Å; V92-S130 WeakPolarHBondContact CA-O 3.41Å; V92-A131 HydrophobicContact CG1-CB 4.46Å; V92-A131 HydrophobicContact CG2-CB 4.07Å; V92-I137 HydrophobicContact CG2-CB 4.38Å; V92-I137 HydrophobicContact CG2-CD1 3.99Å; V92-I137 HydrophobicContact CG2-CG1 4.01Å; V92-I137 HydrophobicContact CG2-CG2 3.56Å; V92-M138 HydrophobicContact CB-SD 4.45Å; V92-M138 HydrophobicContact CG1-CE 4.44Å; V92-M138 HydrophobicContact CG1-SD 3.86Å; V92-M138 HydrophobicContact CG2-SD 3.78Å; V92-V141 HydrophobicContact CB-CG2 4.22Å; V92-V141 HydrophobicContact CG1-CG2 4.18Å
93	D	95.5	Very high	89.3	Confident	67 Å²	67	101 Å²	101	36%	0.358	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.9	177.5	-63.7	-72.4	0	0	0	111.1	Y79 R95 L129 S130	Y79-D93 HydrophobicContact CE1-CB 4.31Å; Y79-D93 VanDerWaalsContact CE1-OD2 3.26Å; Y79-D93 WeakPolarHBondContact CE1-OD2 3.13Å; Y79-D93 PolarHBondContact OH-N 2.88Å; Y79-D93 PolarHBondContact OH-OD2 3.4Å; D93-R95 HydrophobicContact CB-CG 4.15Å; D93-R95 PolarHBondContact O-N 2.76Å; D93-L129 CarbonylContact O-C 3.59Å; D93-L129 WeakPolarHBondContact O-CA 3.39Å; D93-S130 PolarHBondContact N-O 3.31Å; D93-S130 PolarHBondContact O-N 3.36Å
94	E	95.6	Very high	89.9	Confident	135 Å²	135	97.6 Å²	97.6	63%	0.631	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	124.4	163.9	-171.3	177.4	153	0	0	109.3	L129	E94-L129 HydrophobicContact CB-CD2 3.8Å; E94-L129 HydrophobicContact CG-CD2 4.19Å
95	R	96.6	Very high	91	Very high	99 Å²	99	99.1 Å²	99.1	37%	0.374	51%	0.508	S	S	.	.			trans	-137.9	161.1	-176.5	-67.7	-64.5	-171.2	105.5	5.2	109.7	E81 D93 C97 C128	E81-R95 IonicContact OE1-CZ 2.72Å; E81-R95 IonicContact OE1-NH1 3.31Å; E81-R95 PolarHBondContact OE1-NH1 2.94Å; E81-R95 VanDerWaalsContact OE1-NH1 3.1Å; E81-R95 IonicContact OE1-NH2 3.86Å; E81-R95 PolarHBondContact OE1-NH2 2.84Å; E81-R95 IonicContact OE2-NH1 3.59Å; D93-R95 HydrophobicContact CB-CG 4.15Å; D93-R95 PolarHBondContact O-N 2.76Å; R95-C97 PolarHBondContact O-N 2.85Å; R95-C128 PolarHBondContact N-O 3.04Å; R95-C128 VanDerWaalsContact O-O 3.13Å
96	A	96.9	Very high	92.4	Very high	89 Å²	89	93.1 Å²	93.1	74%	0.736	48%	0.476	S	S	*	.			trans	-57.6	140.3	168	0	0	0	0	0	110	Q77 I98	Q77-A96 PolarHBondContact NE2-O 2.97Å; A96-I98 PolarHBondContact O-N 2.78Å
97	C	97.1	Very high	93.7	Very high	48 Å²	48	99.3 Å²	99.3	32%	0.324	48%	0.481	S	S	.	.			trans	-62.4	123.1	175.5	-59.8	0	0	0	0	110	R95 L101 C128	R95-C97 PolarHBondContact O-N 2.85Å; C97-L101 HydrophobicContact CB-CD2 4.4Å; C97-L101 HydrophobicContact CB-CG 4.27Å; C97-C128 WeakPolarHBondContact CA-SG 3.29Å; C97-C128 HydrophobicContact CB-CB 3.92Å; C97-C128 WeakPolarHBondContact CB-SG 2.87Å; C97-C128 WeakPolarHBondContact SG-CB 3.28Å; C97-C128 CovalentContact SG-SG 2.03Å; C97-C128 PolarHBondContact SG-SG 3.42Å
98	I	95.8	Very high	94.6	Very high	94 Å²	94	97.8 Å²	97.8	48%	0.482	48%	0.477	S	S	.	.	S	Bend	trans	-70.3	-51.2	-179	-66.1	167	0	0	0	109.6	Q77 N78 A80 A96	Q77-I98 HydrophobicContact CB-CD1 4.39Å; Q77-I98 HydrophobicContact CG-CD1 4.23Å; N78-I98 VanDerWaalsContact O-CD1 3.23Å; N78-I98 WeakPolarHBondContact O-CD1 3.28Å; A80-I98 HydrophobicContact CB-CD1 3.82Å; A80-I98 HydrophobicContact CB-CG1 4.14Å; A96-I98 PolarHBondContact O-N 2.78Å
99	E	93.3	Very high	95.3	Very high	137 Å²	137	94.5 Å²	94.5	64%	0.64	48%	0.475	S	S	*	.	S	Bend	trans	-91.8	157.5	175.8	-66.1	-175.9	173.1	0	0	110.8	L101	E99-L101 PolarHBondContact O-N 3.47Å
100	K	93.1	Very high	95.6	Very high	194 Å²	194	93.1 Å²	93.1	84%	0.843	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-61	123.5	172.4	-177.7	-179.6	177.1	-177.6	0	109.1	L102	K100-L102 PolarHBondContact O-N 3.05Å
101	L	93.9	Very high	95.8	Very high	47 Å²	47	90.3 Å²	90.3	25%	0.246	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-53.8	131.1	175.3	-74.3	175.5	0	0	0	111.1	V75 C97 E99 Y103 V126	V75-L101 HydrophobicContact CB-CD2 4.45Å; V75-L101 HydrophobicContact CG2-CD2 3.93Å; C97-L101 HydrophobicContact CB-CD2 4.4Å; C97-L101 HydrophobicContact CB-CG 4.27Å; E99-L101 PolarHBondContact O-N 3.47Å; L101-Y103 HydrophobicContact CD2-CD2 4.42Å; L101-Y103 PolarHBondContact O-N 2.79Å; L101-V126 HydrophobicContact CD1-CG1 4.23Å; L101-V126 HydrophobicContact CD2-CG1 4.1Å
102	L	93.8	Very high	96	Very high	149 Å²	149	92.4 Å²	92.4	78%	0.78	46%	0.458	S	S	*	.	S	Bend	trans	-75.3	-7.6	169.8	-58.8	-180	0	0	0	112.1	K100	K100-L102 PolarHBondContact O-N 3.05Å
103	Y	96.8	Very high	96	Very high	17 Å²	17	92.5 Å²	92.5	7%	0.067	46%	0.464	C	S	.	.			trans	-91.1	135	176.3	-59.2	-88.3	0	0	0	110.8	V73 V75 L101 R112 F115 V126 D154	V73-Y103 HydrophobicContact CG1-CE1 4.38Å; V73-Y103 HydrophobicContact CG1-CE2 4.22Å; V75-Y103 HydrophobicContact CG2-CD2 4.15Å; V75-Y103 HydrophobicContact CG2-CE2 3.79Å; L101-Y103 HydrophobicContact CD2-CD2 4.42Å; L101-Y103 PolarHBondContact O-N 2.79Å; Y103-R112 CarbonylContact C-O 3.53Å; Y103-R112 VanDerWaalsContact CA-O 3.23Å; Y103-R112 WeakPolarHBondContact CA-O 3.36Å; Y103-F115 HydrophobicContact CD1-CE1 4.49Å; Y103-F115 HydrophobicContact CD1-CE2 4.36Å; Y103-F115 AromaticContact CD1-CZ 3.89Å; Y103-F115 HydrophobicContact CD1-CZ 3.89Å; Y103-F115 AromaticContact CE1-CE1 3.73Å; Y103-F115 HydrophobicContact CE1-CE1 3.73Å; Y103-F115 HydrophobicContact CE1-CE2 4.27Å; Y103-F115 AromaticContact CE1-CZ 3.58Å; Y103-F115 HydrophobicContact CE1-CZ 3.58Å; Y103-V126 HydrophobicContact CD1-CG2 4.42Å; Y103-V126 HydrophobicContact CD2-CG1 3.97Å; Y103-V126 HydrophobicContact CG-CG1 4.18Å; Y103-V126 HydrophobicContact CG-CG2 4.17Å; Y103-D154 VanDerWaalsContact CE2-OD2 3.32Å; Y103-D154 WeakPolarHBondContact CE2-OD2 3.35Å; Y103-D154 VanDerWaalsContact OH-CG 3.28Å; Y103-D154 PolarHBondContact OH-OD2 3.09Å
104	T	96.8	Very high	95.9	Very high	87 Å²	87	97.3 Å²	97.3	53%	0.534	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.6	-178.7	54.7	0	0	0	0	111	Y111 R112	T104-Y111 CarbonylContact O-C 3.58Å; T104-Y111 WeakPolarHBondContact O-CA 3.45Å; T104-R112 PolarHBondContact N-O 3.23Å; T104-R112 PolarHBondContact O-N 3.18Å
105	K	97.2	Very high	96	Very high	133 Å²	133	91 Å²	91	58%	0.578	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	136.3	178.8	-70	-171.5	177.9	-174.7	0	111.3	Y110 Y111	K105-Y110 CarbonylContact C-O 3.51Å; K105-Y110 VanDerWaalsContact CA-O 3.3Å; K105-Y110 WeakPolarHBondContact CA-O 3.46Å; K105-Y111 HydrophobicContact CD-CE2 4.47Å; K105-Y111 VanDerWaalsContact CE-CE2 3.45Å; K105-Y111 WeakPolarHBondContact CE-OH 3.43Å; K105-Y111 HydrophobicContact CG-CD1 4.01Å; K105-Y111 HydrophobicContact CG-CD2 4.4Å; K105-Y111 HydrophobicContact CG-CE1 3.84Å; K105-Y111 HydrophobicContact CG-CE2 4.22Å; K105-Y111 HydrophobicContact CG-CG 4.31Å
106	D	95.9	Very high	95.9	Very high	29 Å²	29	89 Å²	89	16%	0.155	44%	0.44	C	S	.	.			trans	-82.6	-178.7	167.6	69.2	20	0	0	0	112	Q108 G109 Y110 R112 R122	D106-Q108 PolarHBondContact O-N 2.99Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.5Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.36Å; D106-Q108 PolarHBondContact OD1-N 2.81Å; D106-Q108 PolarHBondContact OD1-OE1 3.3Å; D106-G109 PolarHBondContact O-N 2.9Å; D106-G109 PolarHBondContact OD1-N 2.88Å; D106-G109 VanDerWaalsContact OD1-N 3.07Å; D106-Y110 PolarHBondContact N-O 3.08Å; D106-Y110 PolarHBondContact OD1-N 2.91Å; D106-R112 HydrophobicContact CB-CG 4.11Å; D106-R122 WeakPolarHBondContact OD2-CD 3.34Å; D106-R122 IonicContact OD2-NE 2.76Å; D106-R122 PolarHBondContact OD2-NE 2.83Å
107	K	95.8	Very high	95.8	Very high	206 Å²	206	85.1 Å²	85.1	90%	0.896	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.3	-178.4	-66.2	-176.8	179.5	179.8	0	113
108	Q	95.5	Very high	95.7	Very high	137 Å²	137	83.2 Å²	83.2	64%	0.64	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.8	178.7	-65.9	74.8	23.8	0	0	111.9	D106 Y110	D106-Q108 PolarHBondContact O-N 2.99Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.5Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.36Å; D106-Q108 PolarHBondContact OD1-N 2.81Å; D106-Q108 PolarHBondContact OD1-OE1 3.3Å; Q108-Y110 HydrophobicContact CB-CD2 3.78Å; Q108-Y110 HydrophobicContact CB-CE2 4.05Å
109	G	96.4	Very high	95.6	Very high	35 Å²	35	85.3 Å²	85.3	36%	0.361	40%	0.402	S	S	.	.	S	Bend	trans	87.3	1.6	178.9	0	0	0	0	0	114.4	D106	D106-G109 PolarHBondContact O-N 2.9Å; D106-G109 PolarHBondContact OD1-N 2.88Å; D106-G109 VanDerWaalsContact OD1-N 3.07Å
110	Y	97.8	Very high	95.8	Very high	79 Å²	79	82.7 Å²	82.7	31%	0.31	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-82.8	149	176.2	-62.7	-62.4	0	0	0	111.2	F69 K105 D106 Q108 R122 R124	F69-Y110 HydrophobicContact CE1-CD2 4.37Å; F69-Y110 HydrophobicContact CE1-CE2 4.25Å; K105-Y110 CarbonylContact C-O 3.51Å; K105-Y110 VanDerWaalsContact CA-O 3.3Å; K105-Y110 WeakPolarHBondContact CA-O 3.46Å; D106-Y110 PolarHBondContact N-O 3.08Å; D106-Y110 PolarHBondContact OD1-N 2.91Å; Q108-Y110 HydrophobicContact CB-CD2 3.78Å; Q108-Y110 HydrophobicContact CB-CE2 4.05Å; Y110-R122 HydrophobicContact CG-CB 4.46Å; Y110-R124 HydrophobicContact CD1-CG 4.5Å; Y110-R124 HydrophobicContact CE1-CG 4.34Å
111	Y	98.3	Very high	96	Very high	35 Å²	35	73.5 Å²	73.5	14%	0.137	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.3	178	-70.4	-94.8	0	0	0	111.3	T104 K105 R122 A123 V126	T104-Y111 CarbonylContact O-C 3.58Å; T104-Y111 WeakPolarHBondContact O-CA 3.45Å; K105-Y111 HydrophobicContact CD-CE2 4.47Å; K105-Y111 VanDerWaalsContact CE-CE2 3.45Å; K105-Y111 WeakPolarHBondContact CE-OH 3.43Å; K105-Y111 HydrophobicContact CG-CD1 4.01Å; K105-Y111 HydrophobicContact CG-CD2 4.4Å; K105-Y111 HydrophobicContact CG-CE1 3.84Å; K105-Y111 HydrophobicContact CG-CE2 4.22Å; K105-Y111 HydrophobicContact CG-CG 4.31Å; Y111-R122 WeakPolarHBondContact O-CA 3.49Å; Y111-A123 PolarHBondContact N-O 2.97Å; Y111-A123 PolarHBondContact O-N 3.24Å; Y111-V126 HydrophobicContact CD1-CB 4.1Å; Y111-V126 HydrophobicContact CD1-CG2 3.57Å; Y111-V126 HydrophobicContact CD2-CB 4.35Å; Y111-V126 HydrophobicContact CD2-CG2 3.67Å; Y111-V126 HydrophobicContact CE1-CB 4.07Å; Y111-V126 HydrophobicContact CE1-CG2 4.05Å; Y111-V126 HydrophobicContact CE2-CB 4.34Å; Y111-V126 HydrophobicContact CE2-CG2 4.16Å; Y111-V126 HydrophobicContact CG-CB 4.22Å; Y111-V126 HydrophobicContact CG-CG2 3.33Å
112	R	97.9	Very high	96.2	Very high	98 Å²	98	72.9 Å²	72.9	37%	0.37	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.4	166.3	-61.7	-174.3	65.5	128.9	2.9	109.5	Y103 T104 D106 E119	Y103-R112 CarbonylContact C-O 3.53Å; Y103-R112 VanDerWaalsContact CA-O 3.23Å; Y103-R112 WeakPolarHBondContact CA-O 3.36Å; T104-R112 PolarHBondContact N-O 3.23Å; T104-R112 PolarHBondContact O-N 3.18Å; D106-R112 HydrophobicContact CB-CG 4.11Å; R112-E119 PolarHBondContact NH2-O 3.4Å
113	G	95.7	Very high	96.4	Very high	27 Å²	27	65.8 Å²	65.8	28%	0.278	31%	0.308	S	S	.	.			trans	-156.7	-168.4	177.8	0	0	0	0	0	110.5	F115	G113-F115 VanDerWaalsContact N-CE2 3.32Å
114	W	94.8	Very high	96.4	Very high	168 Å²	168	70.6 Å²	70.6	64%	0.636	33%	0.326	S	S	*	.			trans	-64	-46.7	177.9	169.7	-122.9	0	0	0	112.6	I36 W116 G117	I36-W114 HydrophobicContact CG2-CH2 4.44Å; W114-W116 PolarHBondContact O-N 3.17Å; W114-W116 VanDerWaalsContact O-N 3.09Å; W114-G117 PolarHBondContact O-N 2.95Å
115	F	96.2	Very high	96.4	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.009	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	39.7	50.5	178.1	-61.6	-57	0	0	0	113.9	I70 V73 Y103 G113 G117 Y118 T121 A123 M152	I70-F115 HydrophobicContact CD1-CD1 3.98Å; I70-F115 HydrophobicContact CD1-CE1 3.86Å; V73-F115 HydrophobicContact CG2-CE1 4.13Å; V73-F115 HydrophobicContact CG2-CZ 4.34Å; Y103-F115 HydrophobicContact CD1-CE1 4.49Å; Y103-F115 HydrophobicContact CD1-CE2 4.36Å; Y103-F115 AromaticContact CD1-CZ 3.89Å; Y103-F115 HydrophobicContact CD1-CZ 3.89Å; Y103-F115 AromaticContact CE1-CE1 3.73Å; Y103-F115 HydrophobicContact CE1-CE1 3.73Å; Y103-F115 HydrophobicContact CE1-CE2 4.27Å; Y103-F115 AromaticContact CE1-CZ 3.58Å; Y103-F115 HydrophobicContact CE1-CZ 3.58Å; G113-F115 VanDerWaalsContact N-CE2 3.32Å; F115-G117 PolarHBondContact O-N 3.41Å; F115-Y118 WeakPolarHBondContact O-CB 3.21Å; F115-Y118 PolarHBondContact O-N 3.15Å; F115-T121 HydrophobicContact CB-CG2 3.71Å; F115-T121 HydrophobicContact CD1-CG2 3.77Å; F115-T121 HydrophobicContact CD2-CG2 3.66Å; F115-T121 WeakPolarHBondContact CD2-O 3.29Å; F115-T121 HydrophobicContact CE1-CG2 4.29Å; F115-T121 HydrophobicContact CE2-CG2 4.17Å; F115-T121 HydrophobicContact CG-CG2 3.44Å; F115-T121 VanDerWaalsContact CG-CG2 3.44Å; F115-T121 HydrophobicContact CZ-CG2 4.47Å; F115-A123 HydrophobicContact CZ-CB 3.8Å; F115-M152 HydrophobicContact CD1-CE 4.49Å; F115-M152 HydrophobicContact CD1-SD 3.88Å; F115-M152 HydrophobicContact CE1-SD 3.73Å
116	W	94.9	Very high	96.4	Very high	58 Å²	58	63.7 Å²	63.7	22%	0.22	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	56.6	23.2	177.1	-45.4	-81.5	0	0	0	114.9	P20 P21 Y58 I70 W114 Y118 M152	P20-W116 HydrophobicContact CB-CZ2 4.03Å; P20-W116 VanDerWaalsContact CB-NE1 3.29Å; P21-W116 HydrophobicContact CB-CB 4.06Å; P21-W116 HydrophobicContact CG-CB 4.1Å; P21-W116 HydrophobicContact CG-CG 4.45Å; Y58-W116 HydrophobicContact CD2-CE3 4.28Å; Y58-W116 AromaticContact CD2-CZ3 3.96Å; Y58-W116 HydrophobicContact CD2-CZ3 3.96Å; Y58-W116 HydrophobicContact CE1-CE3 4.28Å; Y58-W116 HydrophobicContact CE2-CE3 4.05Å; Y58-W116 AromaticContact CE2-CZ3 3.55Å; Y58-W116 HydrophobicContact CE2-CZ3 3.55Å; Y58-W116 AromaticContact CZ-CZ3 3.89Å; I70-W116 HydrophobicContact CD1-CZ3 4.37Å; W114-W116 PolarHBondContact O-N 3.17Å; W114-W116 VanDerWaalsContact O-N 3.09Å; W116-Y118 HydrophobicContact CB-CD2 4.49Å; W116-M152 HydrophobicContact CH2-CE 3.93Å; W116-M152 HydrophobicContact CH2-CG 4.26Å; W116-M152 HydrophobicContact CH2-SD 3.66Å; W116-M152 HydrophobicContact CZ2-CE 3.71Å; W116-M152 HydrophobicContact CZ2-SD 4.07Å; W116-M152 HydrophobicContact CZ3-SD 4.4Å
117	G	93.9	Very high	96.4	Very high	7 Å²	7	63.3 Å²	63.3	7%	0.072	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	90.3	2	-178.7	0	0	0	0	0	114.5	R37 W114 F115 E119	R37-G117 PolarHBondContact NE-O 2.84Å; R37-G117 PolarHBondContact NH2-O 2.79Å; W114-G117 PolarHBondContact O-N 2.95Å; F115-G117 PolarHBondContact O-N 3.41Å; G117-E119 PolarHBondContact O-N 3.49Å
118	Y	95.8	Very high	96.4	Very high	8 Å²	8	53.6 Å²	53.6	3%	0.031	25%	0.249	C	C	.	.			trans	-83.9	90.6	174.3	-72.2	-102.6	0	0	0	110.8	P21 R37 Y58 E59 I62 F115 W116 E120 T121	P21-Y118 HydrophobicContact CB-CE2 4.2Å; P21-Y118 HydrophobicContact CG-CE2 3.8Å; R37-Y118 HydrophobicContact CB-CD2 4.45Å; R37-Y118 HydrophobicContact CB-CE2 3.61Å; R37-Y118 HydrophobicContact CG-CD2 3.8Å; R37-Y118 HydrophobicContact CG-CE2 3.44Å; R37-Y118 VanDerWaalsContact CG-CE2 3.44Å; Y58-Y118 HydrophobicContact CD1-CD1 4.32Å; Y58-Y118 AromaticContact CD1-CD2 3.8Å; Y58-Y118 HydrophobicContact CD1-CD2 3.8Å; Y58-Y118 HydrophobicContact CD1-CE1 4.23Å; Y58-Y118 AromaticContact CD1-CE2 3.69Å; Y58-Y118 HydrophobicContact CD1-CE2 3.69Å; Y58-Y118 HydrophobicContact CD1-CG 4.14Å; Y58-Y118 AromaticContact CD1-CZ 3.91Å; Y58-Y118 AromaticContact CE1-CD1 3.99Å; Y58-Y118 HydrophobicContact CE1-CD1 3.99Å; Y58-Y118 AromaticContact CE1-CD2 3.69Å; Y58-Y118 HydrophobicContact CE1-CD2 3.69Å; Y58-Y118 HydrophobicContact CE1-CE1 4.35Å; Y58-Y118 HydrophobicContact CE1-CE2 4.07Å; Y58-Y118 AromaticContact CE1-CG 3.66Å; Y58-Y118 HydrophobicContact CE1-CG 3.66Å; E59-Y118 HydrophobicContact CG-CE1 4.18Å; E59-Y118 WeakPolarHBondContact CG-OH 3.43Å; E59-Y118 PolarHBondContact OE1-OH 2.99Å; I62-Y118 HydrophobicContact CD1-CD1 4.24Å; I62-Y118 HydrophobicContact CD1-CE1 4.38Å; F115-Y118 WeakPolarHBondContact O-CB 3.21Å; F115-Y118 PolarHBondContact O-N 3.15Å; W116-Y118 HydrophobicContact CB-CD2 4.49Å; Y118-E120 WeakPolarHBondContact CA-OE2 3.38Å; Y118-E120 WeakPolarHBondContact CD1-OE1 3.43Å; Y118-E120 PolarHBondContact O-N 3.15Å; Y118-E120 VanDerWaalsContact O-N 3.14Å; Y118-T121 WeakPolarHBondContact CB-OG1 3.08Å; Y118-T121 WeakPolarHBondContact O-CB 3.38Å; Y118-T121 PolarHBondContact O-N 3.1Å; Y118-T121 PolarHBondContact O-OG1 3.49Å
119	E	94.8	Very high	96.5	Very high	138 Å²	138	47.3 Å²	47.3	65%	0.645	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.6	-179.2	-61.9	-169.7	178.8	0	0	114.4	R112 G117 T121 R122	R112-E119 PolarHBondContact NH2-O 3.4Å; G117-E119 PolarHBondContact O-N 3.49Å; E119-T121 VanDerWaalsContact C-N 3.34Å; E119-R122 PolarHBondContact O-NH1 3.5Å; E119-R122 PolarHBondContact O-NH2 3.09Å
120	E	96.1	Very high	96.6	Very high	83 Å²	83	45.8 Å²	45.8	39%	0.388	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.6	175.9	58.2	-90.6	-133.9	0	0	112.8	R37 P68 Y118 R122	R37-E120 IonicContact CZ-OE2 3.79Å; R37-E120 IonicContact NH1-OE1 2.95Å; R37-E120 PolarHBondContact NH1-OE1 3.09Å; R37-E120 IonicContact NH1-OE2 3.52Å; R37-E120 IonicContact NH2-OE2 3.31Å; R37-E120 PolarHBondContact NH2-OE2 2.79Å; P68-E120 HydrophobicContact CB-CG 4.24Å; P68-E120 HydrophobicContact CG-CB 4.28Å; P68-E120 HydrophobicContact CG-CG 4.23Å; Y118-E120 WeakPolarHBondContact CA-OE2 3.38Å; Y118-E120 WeakPolarHBondContact CD1-OE1 3.43Å; Y118-E120 PolarHBondContact O-N 3.15Å; Y118-E120 VanDerWaalsContact O-N 3.14Å; E120-R122 PolarHBondContact O-NH1 2.72Å
121	T	98	Very high	96.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	19%	0.189	C	C	.	.			trans	-68	135.9	-175.4	-53.1	0	0	0	0	112.3	Y58 P68 I70 F115 Y118 E119	Y58-T121 WeakPolarHBondContact OH-CB 3.43Å; Y58-T121 WeakPolarHBondContact OH-CG2 3.21Å; Y58-T121 PolarHBondContact OH-OG1 3.47Å; P68-T121 CarbonylContact O-C 3.5Å; P68-T121 WeakPolarHBondContact O-CA 3.18Å; I70-T121 HydrophobicContact CD1-CG2 3.94Å; I70-T121 HydrophobicContact CG1-CG2 4.36Å; F115-T121 HydrophobicContact CB-CG2 3.71Å; F115-T121 HydrophobicContact CD1-CG2 3.77Å; F115-T121 HydrophobicContact CD2-CG2 3.66Å; F115-T121 WeakPolarHBondContact CD2-O 3.29Å; F115-T121 HydrophobicContact CE1-CG2 4.29Å; F115-T121 HydrophobicContact CE2-CG2 4.17Å; F115-T121 HydrophobicContact CG-CG2 3.44Å; F115-T121 VanDerWaalsContact CG-CG2 3.44Å; F115-T121 HydrophobicContact CZ-CG2 4.47Å; Y118-T121 WeakPolarHBondContact CB-OG1 3.08Å; Y118-T121 WeakPolarHBondContact O-CB 3.38Å; Y118-T121 PolarHBondContact O-N 3.1Å; Y118-T121 PolarHBondContact O-OG1 3.49Å; E119-T121 VanDerWaalsContact C-N 3.34Å
122	R	98.1	Very high	96.3	Very high	34 Å²	34	41.1 Å²	41.1	13%	0.128	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.6	178.3	-66.5	-62.9	176.8	-78.7	-14.5	111	P68 F69 I70 D106 Y110 Y111 E119 E120	P68-R122 PolarHBondContact O-N 2.73Å; F69-R122 CarbonylContact C-O 3.59Å; F69-R122 VanDerWaalsContact CA-O 3.31Å; F69-R122 WeakPolarHBondContact CA-O 3.43Å; F69-R122 HydrophobicContact CD1-CB 3.74Å; F69-R122 HydrophobicContact CE1-CB 3.81Å; F69-R122 HydrophobicContact CE1-CG 4.16Å; I70-R122 PolarHBondContact N-O 3.06Å; D106-R122 WeakPolarHBondContact OD2-CD 3.34Å; D106-R122 IonicContact OD2-NE 2.76Å; D106-R122 PolarHBondContact OD2-NE 2.83Å; Y110-R122 HydrophobicContact CG-CB 4.46Å; Y111-R122 WeakPolarHBondContact O-CA 3.49Å; E119-R122 PolarHBondContact O-NH1 3.5Å; E119-R122 PolarHBondContact O-NH2 3.09Å; E120-R122 PolarHBondContact O-NH1 2.72Å
123	A	97.9	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	139	166.4	0	0	0	0	0	111.2	I70 V73 Y111 F115 V126	I70-A123 HydrophobicContact CB-CB 4.49Å; I70-A123 CarbonylContact O-C 3.26Å; I70-A123 WeakPolarHBondContact O-CA 3.37Å; V73-A123 HydrophobicContact CG2-CB 3.45Å; V73-A123 VanDerWaalsContact CG2-CB 3.45Å; Y111-A123 PolarHBondContact N-O 2.97Å; Y111-A123 PolarHBondContact O-N 3.24Å; F115-A123 HydrophobicContact CZ-CB 3.8Å; A123-V126 HydrophobicContact CB-CG2 4.23Å
124	R	96.6	Very high	96.2	Very high	118 Å²	118	37.5 Å²	37.5	45%	0.445	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-41.1	175.8	-55.4	-177.6	-176.3	-80.6	-3.8	111.2	I70 D71 Y110	I70-R124 PolarHBondContact O-N 3.39Å; D71-R124 WeakPolarHBondContact O-CB 3.29Å; D71-R124 VanDerWaalsContact OD1-CD 3.25Å; D71-R124 WeakPolarHBondContact OD1-CD 3.29Å; D71-R124 IonicContact OD1-NE 2.56Å; D71-R124 PolarHBondContact OD1-NE 3.26Å; Y110-R124 HydrophobicContact CD1-CG 4.5Å; Y110-R124 HydrophobicContact CE1-CG 4.34Å
125	N	96.1	Very high	96.3	Very high	65 Å²	65	29.7 Å²	29.7	35%	0.348	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.6	178	-165.2	31.5	0	0	0	112.1	D71 Q72 V73	D71-N125 PolarHBondContact O-N 2.92Å; D71-N125 VanDerWaalsContact O-N 3.1Å; Q72-N125 PolarHBondContact NE2-ND2 3.2Å; Q72-N125 PolarHBondContact OE1-ND2 3.47Å; V73-N125 PolarHBondContact N-O 2.99Å
126	V	97.1	Very high	96.2	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.1	177.3	-177.5	0	0	0	0	107.9	V73 V75 L101 Y103 Y111 A123	V73-V126 HydrophobicContact CB-CB 4.48Å; V73-V126 HydrophobicContact CB-CG1 4.34Å; V73-V126 HydrophobicContact CB-CG2 4.08Å; V73-V126 HydrophobicContact CG1-CG1 4.41Å; V73-V126 HydrophobicContact CG2-CG2 4.41Å; V73-V126 WeakPolarHBondContact O-CA 3.38Å; V75-V126 HydrophobicContact CG2-CG1 3.89Å; L101-V126 HydrophobicContact CD1-CG1 4.23Å; L101-V126 HydrophobicContact CD2-CG1 4.1Å; Y103-V126 HydrophobicContact CD1-CG2 4.42Å; Y103-V126 HydrophobicContact CD2-CG1 3.97Å; Y103-V126 HydrophobicContact CG-CG1 4.18Å; Y103-V126 HydrophobicContact CG-CG2 4.17Å; Y111-V126 HydrophobicContact CD1-CB 4.1Å; Y111-V126 HydrophobicContact CD1-CG2 3.57Å; Y111-V126 HydrophobicContact CD2-CB 4.35Å; Y111-V126 HydrophobicContact CD2-CG2 3.67Å; Y111-V126 HydrophobicContact CE1-CB 4.07Å; Y111-V126 HydrophobicContact CE1-CG2 4.05Å; Y111-V126 HydrophobicContact CE2-CB 4.34Å; Y111-V126 HydrophobicContact CE2-CG2 4.16Å; Y111-V126 HydrophobicContact CG-CB 4.22Å; Y111-V126 HydrophobicContact CG-CG2 3.33Å; A123-V126 HydrophobicContact CB-CG2 4.23Å
127	T	95.8	Very high	96.2	Very high	21 Å²	21	29.6 Å²	29.6	13%	0.129	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.6	175.4	55	0	0	0	0	110.4	Q72 V73 L74 V75	Q72-T127 PolarHBondContact NE2-OG1 3.37Å; Q72-T127 VanDerWaalsContact NE2-OG1 3.12Å; V73-T127 PolarHBondContact O-N 3.36Å; L74-T127 WeakPolarHBondContact CA-O 3.25Å; L74-T127 VanDerWaalsContact CD2-OG1 3.23Å; L74-T127 WeakPolarHBondContact CD2-OG1 3.31Å; V75-T127 PolarHBondContact N-O 2.81Å
128	C	97.9	Very high	96.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	176.5	-67.4	0	0	0	0	110.5	V75 R95 C97	V75-C128 CarbonylContact O-C 3.54Å; V75-C128 VanDerWaalsContact O-CA 3.31Å; V75-C128 WeakPolarHBondContact O-CA 3.35Å; R95-C128 PolarHBondContact N-O 3.04Å; R95-C128 VanDerWaalsContact O-O 3.13Å; C97-C128 WeakPolarHBondContact CA-SG 3.29Å; C97-C128 HydrophobicContact CB-CB 3.92Å; C97-C128 WeakPolarHBondContact CB-SG 2.87Å; C97-C128 WeakPolarHBondContact SG-CB 3.28Å; C97-C128 CovalentContact SG-SG 2.03Å; C97-C128 PolarHBondContact SG-SG 3.42Å
129	L	97.1	Very high	96.2	Very high	5 Å²	5	29 Å²	29	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.8	174.8	-61.9	-174.6	0	0	0	109.1	L74 V75 L76 Q77 V92 D93 E94 A131 M138 V141	L74-L129 HydrophobicContact CB-CD1 4.03Å; L74-L129 HydrophobicContact CB-CG 4.36Å; L74-L129 HydrophobicContact CD1-CD1 3.77Å; L74-L129 HydrophobicContact CD2-CD1 4.02Å; L74-L129 HydrophobicContact CD2-CG 4.25Å; L74-L129 HydrophobicContact CG-CD1 4.15Å; V75-L129 PolarHBondContact O-N 3.26Å; L76-L129 WeakPolarHBondContact CA-O 3.4Å; L76-L129 HydrophobicContact CD2-CB 4.14Å; Q77-L129 WeakPolarHBondContact CG-O 3.47Å; Q77-L129 PolarHBondContact N-O 3.19Å; V92-L129 HydrophobicContact CG1-CB 4.16Å; V92-L129 HydrophobicContact CG1-CD1 4.1Å; D93-L129 CarbonylContact O-C 3.59Å; D93-L129 WeakPolarHBondContact O-CA 3.39Å; E94-L129 HydrophobicContact CB-CD2 3.8Å; E94-L129 HydrophobicContact CG-CD2 4.19Å; L129-A131 PolarHBondContact O-N 2.81Å; L129-M138 HydrophobicContact CD1-CE 3.67Å; L129-V141 HydrophobicContact CD1-CG1 4.11Å
130	S	97.4	Very high	96.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.3	165.9	-74.1	0	0	0	0	108.2	Q77 N78 Y79 V92 D93	Q77-S130 PolarHBondContact NE2-OG 2.69Å; Q77-S130 VanDerWaalsContact NE2-OG 3.12Å; Q77-S130 CarbonylContact O-C 3.56Å; Q77-S130 VanDerWaalsContact O-CA 3.26Å; Q77-S130 WeakPolarHBondContact O-CA 3.38Å; N78-S130 PolarHBondContact O-OG 3.04Å; N78-S130 VanDerWaalsContact O-OG 3.05Å; Y79-S130 PolarHBondContact OH-O 2.9Å; V92-S130 WeakPolarHBondContact CA-O 3.41Å; D93-S130 PolarHBondContact N-O 3.31Å; D93-S130 PolarHBondContact O-N 3.36Å
131	A	96.3	Very high	95.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.9	-176.7	0	0	0	0	0	110.8	L76 Q77 V92 L129 T158 L159	L76-A131 HydrophobicContact CD2-CB 4.23Å; Q77-A131 PolarHBondContact O-N 3.21Å; V92-A131 HydrophobicContact CG1-CB 4.46Å; V92-A131 HydrophobicContact CG2-CB 4.07Å; L129-A131 PolarHBondContact O-N 2.81Å; A131-T158 HydrophobicContact CB-CG2 4.49Å; A131-L159 HydrophobicContact CB-CD2 4.06Å
132	Q	95.1	Very high	95.5	Very high	15 Å²	15	22.6 Å²	22.6	7%	0.07	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	110.3	171.8	-179.4	176.6	-59.7	0	0	106.6	Y79 W88 E89 E90 K91	Y79-Q132 HydrophobicContact CD2-CB 3.97Å; Y79-Q132 HydrophobicContact CE2-CB 3.91Å; W88-Q132 VanDerWaalsContact CD1-NE2 3.29Å; W88-Q132 HydrophobicContact CD2-CG 4.42Å; W88-Q132 HydrophobicContact CZ2-CG 4.01Å; W88-Q132 VanDerWaalsContact NE1-CG 3.32Å; E89-Q132 VanDerWaalsContact N-NE2 3.17Å; E89-Q132 WeakPolarHBondContact O-CG 3.2Å; E89-Q132 PolarHBondContact O-NE2 2.74Å; E90-Q132 CarbonylContact C-O 3.56Å; E90-Q132 VanDerWaalsContact CA-O 3.25Å; E90-Q132 WeakPolarHBondContact CA-O 3.46Å; K91-Q132 HydrophobicContact CG-CB 4.48Å; K91-Q132 PolarHBondContact N-O 3.15Å; K91-Q132 PolarHBondContact O-N 3.24Å
133	G	94.5	Very high	94.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.121	C	C	.	.	S	Bend	trans	158	-173.3	-177.5	0	0	0	0	0	114.1	L160	G133-L160 PolarHBondContact O-N 3.02Å
134	H	95.8	Very high	94	Very high	48 Å²	48	31.4 Å²	31.4	22%	0.222	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-83	159	172.3	-57.4	101.7	0	0	0	111.3	E90 S136 I137 L160 H161 D162	E90-H134 IonicContact OE1-CE1 3.31Å; E90-H134 PolarHBondContact OE1-CE1 3.4Å; E90-H134 VanDerWaalsContact OE1-CE1 3.31Å; E90-H134 IonicContact OE1-CG 2.76Å; E90-H134 IonicContact OE1-ND1 2.71Å; E90-H134 PolarHBondContact OE1-ND1 2.86Å; E90-H134 PolarHBondContact OE2-N 3.27Å; E90-H134 IonicContact OE2-ND1 3Å; H134-S136 PolarHBondContact O-N 3.46Å; H134-S136 VanDerWaalsContact O-N 3.09Å; H134-I137 VanDerWaalsContact O-CB 3.31Å; H134-I137 WeakPolarHBondContact O-CB 3.37Å; H134-I137 WeakPolarHBondContact O-CG2 3.12Å; H134-I137 PolarHBondContact O-N 3.41Å; H134-L160 CarbonylContact C-O 3.59Å; H134-L160 WeakPolarHBondContact CA-O 3.49Å; H134-H161 VanDerWaalsContact CD2-C 3.43Å; H134-H161 PolarHBondContact CD2-O 2.81Å; H134-D162 HydrophobicContact CB-CB 4.35Å; H134-D162 VanDerWaalsContact CB-OD1 3.26Å; H134-D162 WeakPolarHBondContact CB-OD1 3.43Å
135	A	96.5	Very high	92.8	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-52.6	-37.3	-174.8	0	0	0	0	0	114.2	M1 L4 I137 M138 L159 L160 D162	M1-A135 HydrophobicContact CE-CB 3.95Å; L4-A135 HydrophobicContact CB-CB 4.23Å; L4-A135 WeakPolarHBondContact CD1-O 3.4Å; A135-I137 PolarHBondContact O-N 3.49Å; A135-M138 WeakPolarHBondContact O-CB 3.4Å; A135-M138 PolarHBondContact O-N 3.42Å; A135-L159 HydrophobicContact CB-CB 4.27Å; A135-L160 PolarHBondContact N-O 3.47Å; A135-D162 PolarHBondContact N-OD1 3.43Å; A135-D162 VanDerWaalsContact N-OD1 3.11Å
136	S	95.4	Very high	91.6	Very high	28 Å²	28	30 Å²	30	20%	0.196	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-66.6	-13.8	-179.6	-75.2	0	0	0	0	114.7	T7 H134 M138 A139 D162	T7-S136 PolarHBondContact OG1-OG 3.4Å; H134-S136 PolarHBondContact O-N 3.46Å; H134-S136 VanDerWaalsContact O-N 3.09Å; S136-M138 PolarHBondContact O-N 2.96Å; S136-M138 VanDerWaalsContact O-N 3.14Å; S136-A139 WeakPolarHBondContact O-CB 3.38Å; S136-A139 PolarHBondContact O-N 2.94Å; S136-D162 WeakPolarHBondContact CB-OD1 3.39Å; S136-D162 WeakPolarHBondContact CB-OD2 3.3Å; S136-D162 PolarHBondContact N-OD1 3.24Å; S136-D162 VanDerWaalsContact OG-CG 3.28Å; S136-D162 PolarHBondContact OG-OD1 3.34Å; S136-D162 PolarHBondContact OG-OD2 2.8Å
137	I	95.2	Very high	90.8	Very high	31 Å²	31	36.9 Å²	36.9	16%	0.159	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.1	173.2	-158.2	175.2	0	0	0	113	E90 V92 H134 A135 A139 P140 L159	E90-I137 HydrophobicContact CB-CD1 3.59Å; E90-I137 HydrophobicContact CG-CD1 4.46Å; V92-I137 HydrophobicContact CG2-CB 4.38Å; V92-I137 HydrophobicContact CG2-CD1 3.99Å; V92-I137 HydrophobicContact CG2-CG1 4.01Å; V92-I137 HydrophobicContact CG2-CG2 3.56Å; H134-I137 VanDerWaalsContact O-CB 3.31Å; H134-I137 WeakPolarHBondContact O-CB 3.37Å; H134-I137 WeakPolarHBondContact O-CG2 3.12Å; H134-I137 PolarHBondContact O-N 3.41Å; A135-I137 PolarHBondContact O-N 3.49Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 3.26Å; I137-P140 WeakPolarHBondContact O-CD 3.26Å; I137-L159 HydrophobicContact CG2-CD2 4.07Å
138	M	95.3	Very high	90.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-75.4	-15.6	176.5	-67.9	-56.6	-54.6	0	0	113.1	L4 L74 L76 V92 L129 A135 S136 V141 L142 L153 L159	L4-M138 HydrophobicContact CD1-CB 3.99Å; L4-M138 HydrophobicContact CD2-CB 3.8Å; L4-M138 HydrophobicContact CD2-CG 4.5Å; L74-M138 HydrophobicContact CD1-CE 4.27Å; L76-M138 HydrophobicContact CD2-CE 4.38Å; L76-M138 HydrophobicContact CD2-SD 4.17Å; V92-M138 HydrophobicContact CB-SD 4.45Å; V92-M138 HydrophobicContact CG1-CE 4.44Å; V92-M138 HydrophobicContact CG1-SD 3.86Å; V92-M138 HydrophobicContact CG2-SD 3.78Å; L129-M138 HydrophobicContact CD1-CE 3.67Å; A135-M138 WeakPolarHBondContact O-CB 3.4Å; A135-M138 PolarHBondContact O-N 3.42Å; S136-M138 PolarHBondContact O-N 2.96Å; S136-M138 VanDerWaalsContact O-N 3.14Å; M138-V141 HydrophobicContact CE-CB 4.19Å; M138-V141 HydrophobicContact CE-CG1 3.9Å; M138-V141 WeakPolarHBondContact O-CB 3.46Å; M138-V141 PolarHBondContact O-N 2.5Å; M138-L142 HydrophobicContact CB-CD1 4.31Å; M138-L142 WeakPolarHBondContact O-CG 3.2Å; M138-L142 PolarHBondContact O-N 3.21Å; M138-L153 HydrophobicContact CE-CD2 4.14Å; M138-L153 HydrophobicContact CG-CD1 4.32Å; M138-L159 HydrophobicContact CG-CD1 3.63Å; M138-L159 HydrophobicContact CG-CD2 4.16Å
139	A	94.1	Very high	90	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-50.8	-174.3	0	0	0	0	0	112.8	L4 T7 L8 S136 I137 V141 L142 Q143	L4-A139 HydrophobicContact CD1-CB 3.87Å; T7-A139 HydrophobicContact CG2-CB 3.81Å; L8-A139 HydrophobicContact CD2-CB 3.83Å; L8-A139 HydrophobicContact CG-CB 4.24Å; S136-A139 WeakPolarHBondContact O-CB 3.38Å; S136-A139 PolarHBondContact O-N 2.94Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 3.26Å; A139-V141 PolarHBondContact O-N 3.21Å; A139-L142 PolarHBondContact O-N 2.76Å; A139-Q143 VanDerWaalsContact O-CG 3.3Å; A139-Q143 WeakPolarHBondContact O-CG 3.31Å; A139-Q143 PolarHBondContact O-N 3.22Å; A139-Q143 VanDerWaalsContact O-N 3.08Å
140	P	91.2	Very high	89.9	Confident	59 Å²	59	42.8 Å²	42.8	38%	0.383	24%	0.236	S	C	.	.	H	α-helix	trans	-60.3	-35	177.3	-23.1	34.4	0	0	0	113.1	I137 K144	I137-P140 WeakPolarHBondContact O-CD 3.26Å; P140-K144 VanDerWaalsContact O-CB 3.31Å; P140-K144 WeakPolarHBondContact O-CB 3.36Å; P140-K144 PolarHBondContact O-N 3.18Å
141	V	90.7	Very high	89.9	Confident	19 Å²	19	44.3 Å²	44.3	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-47.3	178.9	172.5	0	0	0	0	110.3	V92 L129 M138 A139 Q143 N145 F146	V92-V141 HydrophobicContact CB-CG2 4.22Å; V92-V141 HydrophobicContact CG1-CG2 4.18Å; L129-V141 HydrophobicContact CD1-CG1 4.11Å; M138-V141 HydrophobicContact CE-CB 4.19Å; M138-V141 HydrophobicContact CE-CG1 3.9Å; M138-V141 WeakPolarHBondContact O-CB 3.46Å; M138-V141 PolarHBondContact O-N 2.5Å; A139-V141 PolarHBondContact O-N 3.21Å; V141-Q143 VanDerWaalsContact C-N 3.31Å; V141-Q143 PolarHBondContact O-N 3.38Å; V141-N145 VanDerWaalsContact O-CB 3.3Å; V141-N145 WeakPolarHBondContact O-CB 3.36Å; V141-N145 PolarHBondContact O-N 3.49Å; V141-F146 HydrophobicContact CG1-CD2 4.45Å; V141-F146 HydrophobicContact CG1-CE2 3.67Å; V141-F146 WeakPolarHBondContact O-CD2 3.42Å
142	L	91.9	Very high	89.9	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.052	25%	0.25	C	S	.	.	H	α-helix	trans	-68.7	-28.3	-179.2	-68.7	174.1	0	0	0	113.3	L4 L8 W15 L74 M138 A139 V151 L153	L4-L142 HydrophobicContact CD1-CD1 4.45Å; L4-L142 HydrophobicContact CD2-CD1 3.99Å; L4-L142 HydrophobicContact CG-CD1 4.5Å; L8-L142 HydrophobicContact CD1-CD1 3.92Å; L8-L142 HydrophobicContact CD2-CB 4.13Å; W15-L142 HydrophobicContact CH2-CB 4.34Å; W15-L142 HydrophobicContact CZ2-CB 4.18Å; L74-L142 HydrophobicContact CD1-CD2 3.94Å; M138-L142 HydrophobicContact CB-CD1 4.31Å; M138-L142 WeakPolarHBondContact O-CG 3.2Å; M138-L142 PolarHBondContact O-N 3.21Å; A139-L142 PolarHBondContact O-N 2.76Å; L142-V151 HydrophobicContact CD2-CB 4.07Å; L142-V151 HydrophobicContact CD2-CG1 3.6Å; L142-V151 HydrophobicContact CD2-CG2 4.26Å; L142-L153 HydrophobicContact CD2-CD2 4.45Å
143	Q	85.3	Confident	90.1	Very high	54 Å²	54	46.1 Å²	46.1	25%	0.252	26%	0.255	S	S	.	.	H	α-helix	trans	-87.7	-38.8	-178.6	-67.5	179.1	-31.1	0	0	114.2	L8 E11 D13 A139 V141	L8-Q143 HydrophobicContact CD2-CG 3.75Å; E11-Q143 VanDerWaalsContact CB-NE2 3.29Å; E11-Q143 VanDerWaalsContact OE2-CD 3.29Å; E11-Q143 PolarHBondContact OE2-NE2 3.3Å; E11-Q143 PolarHBondContact OE2-OE1 2.94Å; D13-Q143 VanDerWaalsContact OD2-CG 3.26Å; D13-Q143 WeakPolarHBondContact OD2-CG 3.27Å; D13-Q143 PolarHBondContact OD2-NE2 2.8Å; A139-Q143 VanDerWaalsContact O-CG 3.3Å; A139-Q143 WeakPolarHBondContact O-CG 3.31Å; A139-Q143 PolarHBondContact O-N 3.22Å; A139-Q143 VanDerWaalsContact O-N 3.08Å; V141-Q143 VanDerWaalsContact C-N 3.31Å; V141-Q143 PolarHBondContact O-N 3.38Å
144	K	78.7	Confident	90.2	Very high	165 Å²	165	48 Å²	48	72%	0.717	26%	0.264	S	S	*	.	H	α-helix	trans	-101.9	-27.5	-168.4	-62.2	179.3	-177.8	175.5	0	113.1	P140	P140-K144 VanDerWaalsContact O-CB 3.31Å; P140-K144 WeakPolarHBondContact O-CB 3.36Å; P140-K144 PolarHBondContact O-N 3.18Å
145	N	70.9	Confident	90.3	Very high	112 Å²	112	50.7 Å²	50.7	60%	0.599	27%	0.273	S	S	*	.	S	Bend	trans	-101.3	-11.8	-168.1	-61	24.4	0	0	0	113	V141	V141-N145 VanDerWaalsContact O-CB 3.3Å; V141-N145 WeakPolarHBondContact O-CB 3.36Å; V141-N145 PolarHBondContact O-N 3.49Å
146	F	71.5	Confident	90.3	Very high	42 Å²	42	52 Å²	52	18%	0.184	28%	0.283	C	S	.	.			trans	-129.1	136.6	-176.3	-59.6	-75.3	0	0	0	111.7	Q72 L74 V141 A148	Q72-F146 HydrophobicContact CG-CD1 4Å; Q72-F146 HydrophobicContact CG-CE1 3.93Å; L74-F146 HydrophobicContact CD1-CE2 3.82Å; L74-F146 HydrophobicContact CD1-CZ 4.07Å; L74-F146 HydrophobicContact CD2-CE1 3.99Å; L74-F146 HydrophobicContact CD2-CE2 4.14Å; L74-F146 HydrophobicContact CD2-CZ 3.51Å; L74-F146 HydrophobicContact CG-CZ 4.42Å; V141-F146 HydrophobicContact CG1-CD2 4.45Å; V141-F146 HydrophobicContact CG1-CE2 3.67Å; V141-F146 WeakPolarHBondContact O-CD2 3.42Å; F146-A148 VanDerWaalsContact C-N 3.26Å; F146-A148 HydrophobicContact CB-CB 4.21Å
147	T	79.8	Confident	90.4	Very high	153 Å²	153	56.5 Å²	56.5	94%	0.939	30%	0.301	S	S	*	.			trans	-94.8	19.4	167.1	60.7	0	0	0	0	111.5
148	A	86.6	Confident	90.5	Very high	25 Å²	25	56.1 Å²	56.1	21%	0.207	30%	0.301	C	S	.	.			trans	-80.1	140.4	-174.2	0	0	0	0	0	110.8	D71 Q72 F146 V151	D71-A148 HydrophobicContact CB-CB 3.83Å; Q72-A148 HydrophobicContact CB-CB 4.06Å; F146-A148 VanDerWaalsContact C-N 3.26Å; F146-A148 HydrophobicContact CB-CB 4.21Å; A148-V151 HydrophobicContact CB-CG2 3.81Å
149	V	90.5	Very high	90.6	Very high	118 Å²	118	56.9 Å²	56.9	72%	0.715	30%	0.304	S	S	*	.	S	Bend	trans	-83.9	-33.3	175	-179.6	0	0	0	0	110.3	D71	D71-V149 WeakPolarHBondContact OD2-CB 3.11Å; D71-V149 PolarHBondContact OD2-N 2.82Å
150	S	95.6	Very high	90.7	Very high	10 Å²	10	61 Å²	61	7%	0.07	33%	0.326	C	S	.	.			trans	-125.3	124.3	178.5	54.9	0	0	0	0	112.1	I70 D71 Q72	I70-S150 WeakPolarHBondContact CA-OG 3.31Å; D71-S150 WeakPolarHBondContact CB-O 3.38Å; D71-S150 PolarHBondContact N-O 2.97Å; D71-S150 PolarHBondContact N-OG 2.82Å; D71-S150 PolarHBondContact OD2-N 3.45Å; D71-S150 PolarHBondContact OD2-OG 3.18Å; Q72-S150 PolarHBondContact N-O 3.06Å; Q72-S150 VanDerWaalsContact N-O 3.09Å
151	V	96.6	Very high	90.9	Very high	34 Å²	34	63.1 Å²	63.1	21%	0.206	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.5	179.5	-173	0	0	0	0	110.5	W15 Q72 L74 L142 A148 L153	W15-V151 HydrophobicContact CH2-CG2 4.16Å; Q72-V151 HydrophobicContact CB-CG1 4.42Å; Q72-V151 HydrophobicContact CB-CG2 4.31Å; Q72-V151 HydrophobicContact CG-CG1 4.5Å; Q72-V151 CarbonylContact O-C 3.17Å; Q72-V151 VanDerWaalsContact O-CA 3.3Å; Q72-V151 WeakPolarHBondContact O-CA 3.45Å; L74-V151 HydrophobicContact CD1-CG1 3.7Å; L74-V151 HydrophobicContact CG-CG1 3.98Å; L142-V151 HydrophobicContact CD2-CB 4.07Å; L142-V151 HydrophobicContact CD2-CG1 3.6Å; L142-V151 HydrophobicContact CD2-CG2 4.26Å; A148-V151 HydrophobicContact CB-CG2 3.81Å; V151-L153 HydrophobicContact CG1-CD2 4.37Å
152	M	98	Very high	91	Very high	24 Å²	24	63.5 Å²	63.5	12%	0.118	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.4	173.1	175.2	-179	172.5	0	0	109.9	I70 Q72 V73 L74 F115 W116 D154	I70-M152 HydrophobicContact CD1-CB 4.35Å; I70-M152 HydrophobicContact CD1-SD 4.04Å; I70-M152 HydrophobicContact CG2-CB 3.95Å; Q72-M152 PolarHBondContact O-N 3.07Å; V73-M152 CarbonylContact C-O 3.55Å; V73-M152 WeakPolarHBondContact CA-O 3.33Å; V73-M152 HydrophobicContact CG2-CB 4.19Å; V73-M152 HydrophobicContact CG2-SD 4.27Å; L74-M152 PolarHBondContact N-O 3.12Å; F115-M152 HydrophobicContact CD1-CE 4.49Å; F115-M152 HydrophobicContact CD1-SD 3.88Å; F115-M152 HydrophobicContact CE1-SD 3.73Å; W116-M152 HydrophobicContact CH2-CE 3.93Å; W116-M152 HydrophobicContact CH2-CG 4.26Å; W116-M152 HydrophobicContact CH2-SD 3.66Å; W116-M152 HydrophobicContact CZ2-CE 3.71Å; W116-M152 HydrophobicContact CZ2-SD 4.07Å; W116-M152 HydrophobicContact CZ3-SD 4.4Å; M152-D154 HydrophobicContact CE-CB 4.25Å
153	L	97.9	Very high	91.1	Very high	31 Å²	31	70.5 Å²	70.5	16%	0.162	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	105.3	168	-56.8	-173.8	0	0	0	108.9	M1 L4 L74 L76 M138 L142 V151 L159	M1-L153 HydrophobicContact SD-CD1 4.13Å; L4-L153 HydrophobicContact CD2-CD1 3.85Å; L74-L153 HydrophobicContact CB-CD2 3.76Å; L74-L153 HydrophobicContact CD1-CD2 3.68Å; L74-L153 HydrophobicContact CG-CD2 4.19Å; L76-L153 HydrophobicContact CD1-CB 4.2Å; M138-L153 HydrophobicContact CE-CD2 4.14Å; M138-L153 HydrophobicContact CG-CD1 4.32Å; L142-L153 HydrophobicContact CD2-CD2 4.45Å; V151-L153 HydrophobicContact CG1-CD2 4.37Å; L153-L159 HydrophobicContact CD1-CD1 4.35Å
154	D	97.7	Very high	91.4	Very high	39 Å²	39	71.8 Å²	71.8	21%	0.209	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	153.1	171.4	-163.7	5.9	0	0	0	109.9	V73 L74 V75 L76 Y103 M152 A156	V73-D154 HydrophobicContact CG1-CB 4.3Å; L74-D154 PolarHBondContact O-N 2.92Å; V75-D154 HydrophobicContact CG2-CB 4.4Å; L76-D154 WeakPolarHBondContact CB-O 3.49Å; L76-D154 WeakPolarHBondContact CG-O 3.18Å; L76-D154 PolarHBondContact N-O 3.24Å; Y103-D154 VanDerWaalsContact CE2-OD2 3.32Å; Y103-D154 WeakPolarHBondContact CE2-OD2 3.35Å; Y103-D154 VanDerWaalsContact OH-CG 3.28Å; Y103-D154 PolarHBondContact OH-OD2 3.09Å; M152-D154 HydrophobicContact CE-CB 4.25Å; D154-A156 VanDerWaalsContact C-N 3.28Å; D154-A156 PolarHBondContact O-N 3.22Å
155	R	96.7	Very high	92.1	Very high	106 Å²	106	64.5 Å²	64.5	40%	0.4	34%	0.338	S	S	.	.	S	Bend	trans	56.9	40.7	-174.5	-52.1	-63.9	-66.2	-92	-7.1	113	V75 L76 E157 T158	V75-R155 HydrophobicContact CG1-CG 4.39Å; L76-R155 HydrophobicContact CB-CB 4.33Å; L76-R155 VanDerWaalsContact O-CB 3.31Å; L76-R155 WeakPolarHBondContact O-CB 3.46Å; R155-E157 WeakPolarHBondContact CA-OE2 3.47Å; R155-E157 IonicContact CZ-OE1 2.92Å; R155-E157 IonicContact NE-OE1 2.94Å; R155-E157 PolarHBondContact NE-OE1 2.61Å; R155-E157 IonicContact NH2-OE1 3.17Å; R155-E157 PolarHBondContact O-N 2.56Å; R155-T158 WeakPolarHBondContact O-CB 3.25Å; R155-T158 PolarHBondContact O-N 3.02Å; R155-T158 PolarHBondContact O-OG1 2.76Å
156	A	97.6	Very high	93.3	Very high	31 Å²	31	60.2 Å²	60.2	26%	0.256	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-58.3	-17.4	-177.3	0	0	0	0	0	114.4	M1 D154 T158 L159	M1-A156 HydrophobicContact CE-CB 4.15Å; M1-A156 HydrophobicContact CG-CB 4.27Å; M1-A156 HydrophobicContact SD-CB 4.18Å; D154-A156 VanDerWaalsContact C-N 3.28Å; D154-A156 PolarHBondContact O-N 3.22Å; A156-T158 PolarHBondContact O-N 3.32Å; A156-L159 PolarHBondContact O-N 3.41Å
157	E	96.4	Very high	94.4	Very high	122 Å²	122	63.4 Å²	63.4	57%	0.57	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.1	-16.6	171.8	75.5	-75.1	177.6	0	0	114	R155 L159	R155-E157 WeakPolarHBondContact CA-OE2 3.47Å; R155-E157 IonicContact CZ-OE1 2.92Å; R155-E157 IonicContact NE-OE1 2.94Å; R155-E157 PolarHBondContact NE-OE1 2.61Å; R155-E157 IonicContact NH2-OE1 3.17Å; R155-E157 PolarHBondContact O-N 2.56Å; E157-L159 PolarHBondContact O-N 3.14Å
158	T	97	Very high	95.2	Very high	24 Å²	24	60.6 Å²	60.6	15%	0.147	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-61.8	-26.1	174	-52.7	0	0	0	0	111.7	L76 A131 R155 A156	L76-T158 HydrophobicContact CB-CG2 4.41Å; A131-T158 HydrophobicContact CB-CG2 4.49Å; R155-T158 WeakPolarHBondContact O-CB 3.25Å; R155-T158 PolarHBondContact O-N 3.02Å; R155-T158 PolarHBondContact O-OG1 2.76Å; A156-T158 PolarHBondContact O-N 3.32Å
159	L	97.4	Very high	95.7	Very high	15 Å²	15	60.3 Å²	60.3	8%	0.079	31%	0.307	C	S	.	.	S	Bend	trans	-94.4	133.4	-177	-64.7	168.7	0	0	0	111.7	M1 L76 A131 A135 I137 M138 L153 A156 E157	M1-L159 HydrophobicContact CE-CB 4.01Å; M1-L159 HydrophobicContact CE-CD1 3.6Å; M1-L159 HydrophobicContact CE-CG 4.42Å; L76-L159 HydrophobicContact CD1-CD1 3.55Å; L76-L159 HydrophobicContact CD1-CG 3.89Å; A131-L159 HydrophobicContact CB-CD2 4.06Å; A135-L159 HydrophobicContact CB-CB 4.27Å; I137-L159 HydrophobicContact CG2-CD2 4.07Å; M138-L159 HydrophobicContact CG-CD1 3.63Å; M138-L159 HydrophobicContact CG-CD2 4.16Å; L153-L159 HydrophobicContact CD1-CD1 4.35Å; A156-L159 PolarHBondContact O-N 3.41Å; E157-L159 PolarHBondContact O-N 3.14Å
160	L	96.6	Very high	96	Very high	89 Å²	89	54.8 Å²	54.8	47%	0.466	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-83.2	167.2	179.6	-57.1	-179.9	0	0	0	112.4	W88 G133 H134 A135	W88-L160 HydrophobicContact CH2-CD1 4.29Å; W88-L160 HydrophobicContact CZ2-CD1 3.83Å; G133-L160 PolarHBondContact O-N 3.02Å; H134-L160 CarbonylContact C-O 3.59Å; H134-L160 WeakPolarHBondContact CA-O 3.49Å; A135-L160 PolarHBondContact N-O 3.47Å
161	H	95.9	Very high	96.1	Very high	102 Å²	102	55.7 Å²	55.7	47%	0.472	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74.3	120.8	172.6	-72	-76.6	0	0	0	111.7	H134 H163 Y164 Y169	H134-H161 VanDerWaalsContact CD2-C 3.43Å; H134-H161 PolarHBondContact CD2-O 2.81Å; H161-H163 PolarHBondContact O-N 3.34Å; H161-Y164 HydrophobicContact CB-CD2 4.19Å; H161-Y164 AromaticContact CD2-CD2 3.49Å; H161-Y164 VanDerWaalsContact CD2-CD2 3.49Å; H161-Y164 WeakPolarHBondContact CD2-CD2 3.49Å; H161-Y164 AromaticContact CG-CD2 3.85Å; H161-Y164 AromaticContact NE2-CD2 3.97Å; H161-Y169 AromaticContact CE1-CE2 3.75Å; H161-Y169 AromaticContact ND1-CD2 3.88Å; H161-Y169 AromaticContact ND1-CE2 3.98Å
162	D	92.7	Very high	96.2	Very high	28 Å²	28	55.3 Å²	55.3	15%	0.15	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.3	-57.5	177.9	-55.5	-19.6	0	0	0	113.8	S3 H134 A135 S136	S3-D162 VanDerWaalsContact CB-OD2 3.26Å; S3-D162 WeakPolarHBondContact CB-OD2 3.48Å; H134-D162 HydrophobicContact CB-CB 4.35Å; H134-D162 VanDerWaalsContact CB-OD1 3.26Å; H134-D162 WeakPolarHBondContact CB-OD1 3.43Å; A135-D162 PolarHBondContact N-OD1 3.43Å; A135-D162 VanDerWaalsContact N-OD1 3.11Å; S136-D162 WeakPolarHBondContact CB-OD1 3.39Å; S136-D162 WeakPolarHBondContact CB-OD2 3.3Å; S136-D162 PolarHBondContact N-OD1 3.24Å; S136-D162 VanDerWaalsContact OG-CG 3.28Å; S136-D162 PolarHBondContact OG-OD1 3.34Å; S136-D162 PolarHBondContact OG-OD2 2.8Å
163	H	93.3	Very high	96.2	Very high	156 Å²	156	54.7 Å²	54.7	72%	0.722	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.9	89.4	173.1	-63.6	-51.4	0	0	0	109.1	H161 A165 G166	H161-H163 PolarHBondContact O-N 3.34Å; H163-A165 PolarHBondContact O-N 2.58Å; H163-G166 PolarHBondContact O-N 3.37Å; H163-G166 VanDerWaalsContact O-N 3.07Å
164	Y	92.8	Very high	96.2	Very high	81 Å²	81	53.7 Å²	53.7	32%	0.318	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	136.9	177.4	-171.2	-101.1	0	0	0	111.2	H161 G166 Y169 W361	H161-Y164 HydrophobicContact CB-CD2 4.19Å; H161-Y164 AromaticContact CD2-CD2 3.49Å; H161-Y164 VanDerWaalsContact CD2-CD2 3.49Å; H161-Y164 WeakPolarHBondContact CD2-CD2 3.49Å; H161-Y164 AromaticContact CG-CD2 3.85Å; H161-Y164 AromaticContact NE2-CD2 3.97Å; Y164-G166 PolarHBondContact O-N 3.29Å; Y164-Y169 AromaticContact CD2-CD2 3.93Å; Y164-Y169 HydrophobicContact CD2-CD2 3.93Å; Y164-Y169 AromaticContact CD2-CE2 3.52Å; Y164-Y169 HydrophobicContact CD2-CE2 3.52Å; Y164-Y169 AromaticContact CD2-CZ 4Å; Y164-Y169 HydrophobicContact CE2-CD2 4.24Å; Y164-Y169 HydrophobicContact CE2-CE1 4.36Å; Y164-Y169 AromaticContact CE2-CE2 3.38Å; Y164-Y169 HydrophobicContact CE2-CE2 3.38Å; Y164-Y169 AromaticContact CE2-CZ 3.46Å; Y164-Y169 VanDerWaalsContact CE2-CZ 3.46Å; Y164-Y169 WeakPolarHBondContact CE2-OH 3.36Å; Y164-Y169 AromaticContact CZ-CZ 3.99Å; Y164-W361 HydrophobicContact CD1-CD2 4.06Å; Y164-W361 HydrophobicContact CD1-CE3 4.16Å; Y164-W361 HydrophobicContact CD1-CH2 4.33Å; Y164-W361 HydrophobicContact CD1-CZ2 4.23Å; Y164-W361 HydrophobicContact CD1-CZ3 4.29Å; Y164-W361 AromaticContact CE1-CD1 3.86Å; Y164-W361 AromaticContact CE1-CD2 3.66Å; Y164-W361 HydrophobicContact CE1-CD2 3.66Å; Y164-W361 AromaticContact CE1-CE2 3.62Å; Y164-W361 HydrophobicContact CE1-CE3 4.22Å; Y164-W361 AromaticContact CE1-CG 3.82Å; Y164-W361 HydrophobicContact CE1-CG 3.82Å; Y164-W361 HydrophobicContact CE1-CZ2 4.14Å; Y164-W361 AromaticContact CE1-NE1 3.72Å
165	A	92.8	Very high	96.2	Very high	13 Å²	13	51.9 Å²	51.9	11%	0.107	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	12.1	-174.5	0	0	0	0	0	115.9	H163 W170 W361	H163-A165 PolarHBondContact O-N 2.58Å; A165-W170 PolarHBondContact O-NE1 3.13Å; A165-W361 HydrophobicContact CB-CB 3.99Å; A165-W361 HydrophobicContact CB-CD2 4.16Å; A165-W361 HydrophobicContact CB-CE3 3.61Å; A165-W361 HydrophobicContact CB-CG 4.34Å; A165-W361 HydrophobicContact CB-CZ3 4.43Å
166	G	95.9	Very high	96.3	Very high	21 Å²	21	49.1 Å²	49.1	22%	0.216	25%	0.248	C	C	.	.	S	Bend	trans	-75.6	176.9	169.4	0	0	0	0	0	113.1	H163 Y164 D168 Y169 W170	H163-G166 PolarHBondContact O-N 3.37Å; H163-G166 VanDerWaalsContact O-N 3.07Å; Y164-G166 PolarHBondContact O-N 3.29Å; G166-D168 PolarHBondContact O-N 3.18Å; G166-Y169 WeakPolarHBondContact O-CB 3.4Å; G166-Y169 PolarHBondContact O-N 3.03Å; G166-W170 VanDerWaalsContact O-CD1 3.27Å; G166-W170 PolarHBondContact O-N 3.25Å
167	K	95.6	Very high	96.3	Very high	110 Å²	110	48 Å²	48	48%	0.478	24%	0.237	S	C	.	.	H	α-helix	trans	-56.7	-45.7	-179.5	-177.1	173.8	-179.1	169.2	0	112.8	W170 N171 V364 Y365	K167-W170 PolarHBondContact O-N 3.19Å; K167-N171 PolarHBondContact O-N 3.28Å; K167-V364 HydrophobicContact CB-CG1 4.05Å; K167-Y365 WeakPolarHBondContact CE-OXT 3.45Å
168	D	95.1	Very high	96.4	Very high	94 Å²	94	42.5 Å²	42.5	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-34.7	-178.4	-73.8	-32.4	0	0	0	113	K6 G166 N171 T172	K6-D168 PolarHBondContact NZ-O 3.14Å; G166-D168 PolarHBondContact O-N 3.18Å; D168-N171 PolarHBondContact O-N 3.46Å; D168-T172 PolarHBondContact O-N 3.04Å; D168-T172 PolarHBondContact O-OG1 3.47Å
169	Y	97.3	Very high	96.5	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.075	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-50.5	169.4	173.9	-87.7	0	0	0	110.6	H161 Y164 G166 T172 R173 E331	H161-Y169 AromaticContact CE1-CE2 3.75Å; H161-Y169 AromaticContact ND1-CD2 3.88Å; H161-Y169 AromaticContact ND1-CE2 3.98Å; Y164-Y169 AromaticContact CD2-CD2 3.93Å; Y164-Y169 HydrophobicContact CD2-CD2 3.93Å; Y164-Y169 AromaticContact CD2-CE2 3.52Å; Y164-Y169 HydrophobicContact CD2-CE2 3.52Å; Y164-Y169 AromaticContact CD2-CZ 4Å; Y164-Y169 HydrophobicContact CE2-CD2 4.24Å; Y164-Y169 HydrophobicContact CE2-CE1 4.36Å; Y164-Y169 AromaticContact CE2-CE2 3.38Å; Y164-Y169 HydrophobicContact CE2-CE2 3.38Å; Y164-Y169 AromaticContact CE2-CZ 3.46Å; Y164-Y169 VanDerWaalsContact CE2-CZ 3.46Å; Y164-Y169 WeakPolarHBondContact CE2-OH 3.36Å; Y164-Y169 AromaticContact CZ-CZ 3.99Å; G166-Y169 WeakPolarHBondContact O-CB 3.4Å; G166-Y169 PolarHBondContact O-N 3.03Å; Y169-T172 PolarHBondContact O-N 3.41Å; Y169-R173 HydrophobicContact CE1-CB 4.36Å; Y169-R173 WeakPolarHBondContact O-CB 3.2Å; Y169-R173 PolarHBondContact O-N 2.73Å; Y169-E331 PolarHBondContact OH-OE1 2.99Å
170	W	97.9	Very high	96.5	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-35.7	-179.4	-80	113.5	0	0	0	113.3	A165 G166 K167 T172 R173 R174 E331 E334 I335 W361 K362 I363 V364	A165-W170 PolarHBondContact O-NE1 3.13Å; G166-W170 VanDerWaalsContact O-CD1 3.27Å; G166-W170 PolarHBondContact O-N 3.25Å; K167-W170 PolarHBondContact O-N 3.19Å; W170-T172 VanDerWaalsContact C-N 3.34Å; W170-R173 HydrophobicContact CE3-CB 4.28Å; W170-R173 HydrophobicContact CE3-CG 4.24Å; W170-R173 HydrophobicContact CZ3-CG 4.15Å; W170-R173 PolarHBondContact O-N 3.25Å; W170-R174 WeakPolarHBondContact O-CB 3.36Å; W170-R174 WeakPolarHBondContact O-CD 3.37Å; W170-R174 WeakPolarHBondContact O-CG 3.35Å; W170-R174 PolarHBondContact O-N 3.43Å; W170-E331 HydrophobicContact CH2-CB 4.16Å; W170-E331 HydrophobicContact CH2-CG 3.94Å; W170-E331 HydrophobicContact CZ3-CB 4.18Å; W170-E331 HydrophobicContact CZ3-CG 4.32Å; W170-E334 HydrophobicContact CH2-CB 4Å; W170-E334 HydrophobicContact CH2-CG 3.9Å; W170-E334 HydrophobicContact CZ2-CG 4.3Å; W170-I335 HydrophobicContact CZ3-CD1 4.5Å; W170-I335 HydrophobicContact CZ3-CG1 4.13Å; W170-W361 VanDerWaalsContact CZ2-O 3.31Å; W170-W361 WeakPolarHBondContact CZ2-O 3.3Å; W170-K362 PolarHBondContact NE1-O 3.2Å; W170-I363 HydrophobicContact CB-CG1 4.35Å; W170-I363 HydrophobicContact CD2-CB 4.01Å; W170-I363 HydrophobicContact CD2-CD1 4.3Å; W170-I363 HydrophobicContact CD2-CG1 3.75Å; W170-I363 VanDerWaalsContact CE2-CA 3.45Å; W170-I363 HydrophobicContact CE3-CB 4.18Å; W170-I363 HydrophobicContact CE3-CD1 3.82Å; W170-I363 HydrophobicContact CE3-CG1 3.8Å; W170-I363 HydrophobicContact CG-CG1 3.99Å; W170-I363 HydrophobicContact CH2-CB 4.37Å; W170-I363 HydrophobicContact CZ2-CB 4.23Å; W170-I363 HydrophobicContact CZ3-CB 4.35Å; W170-I363 HydrophobicContact CZ3-CD1 4.18Å; W170-I363 HydrophobicContact CZ3-CG1 4.35Å; W170-V364 WeakPolarHBondContact CB-O 3.41Å; W170-V364 VanDerWaalsContact CD1-N 3.33Å
171	N	97.6	Very high	96.6	Very high	29 Å²	29	46 Å²	46	16%	0.155	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-45.9	171.5	-76.5	-19.5	0	0	0	111.1	K167 D168 S175 W209	K167-N171 PolarHBondContact O-N 3.28Å; D168-N171 PolarHBondContact O-N 3.46Å; N171-S175 WeakPolarHBondContact O-CB 3.39Å; N171-S175 PolarHBondContact O-N 2.72Å; N171-S175 PolarHBondContact O-OG 2.96Å; N171-W209 HydrophobicContact CB-CH2 4.3Å; N171-W209 HydrophobicContact CB-CZ3 4.5Å
172	T	98.1	Very high	96.7	Very high	26 Å²	26	41.2 Å²	41.2	16%	0.16	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-45.9	175.4	-65.9	0	0	0	0	111.7	A2 K6 N52 D168 Y169 W170 R174 S175 M176	A2-T172 HydrophobicContact CB-CG2 3.76Å; K6-T172 PolarHBondContact NZ-OG1 3.46Å; N52-T172 WeakPolarHBondContact ND2-CA 3.35Å; N52-T172 PolarHBondContact ND2-OG1 3.27Å; N52-T172 VanDerWaalsContact ND2-OG1 3.1Å; D168-T172 PolarHBondContact O-N 3.04Å; D168-T172 PolarHBondContact O-OG1 3.47Å; Y169-T172 PolarHBondContact O-N 3.41Å; W170-T172 VanDerWaalsContact C-N 3.34Å; T172-R174 PolarHBondContact O-N 2.92Å; T172-S175 PolarHBondContact O-N 2.94Å; T172-S175 PolarHBondContact O-OG 3.27Å; T172-M176 WeakPolarHBondContact O-CG 3.38Å; T172-M176 PolarHBondContact O-N 2.9Å
173	R	98.1	Very high	97	Very high	12 Å²	12	40.5 Å²	40.5	5%	0.045	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-39.8	179.9	178.3	53.9	-175.3	93.9	0.3	113.1	Y169 W170 S175 M176 R328 E331 E332 I335	Y169-R173 HydrophobicContact CE1-CB 4.36Å; Y169-R173 WeakPolarHBondContact O-CB 3.2Å; Y169-R173 PolarHBondContact O-N 2.73Å; W170-R173 HydrophobicContact CE3-CB 4.28Å; W170-R173 HydrophobicContact CE3-CG 4.24Å; W170-R173 HydrophobicContact CZ3-CG 4.15Å; W170-R173 PolarHBondContact O-N 3.25Å; R173-S175 VanDerWaalsContact C-N 3.32Å; R173-M176 PolarHBondContact O-N 3.27Å; R173-R328 PolarHBondContact NH2-O 2.83Å; R173-E331 WeakPolarHBondContact CD-OE2 3.44Å; R173-E331 HydrophobicContact CG-CB 4.25Å; R173-E331 WeakPolarHBondContact CG-OE2 3.48Å; R173-E331 IonicContact CZ-OE2 3.27Å; R173-E331 IonicContact NE-OE2 3.11Å; R173-E331 PolarHBondContact NE-OE2 3.1Å; R173-E332 IonicContact CZ-OE2 3.67Å; R173-E332 VanDerWaalsContact CZ-OE2 3.31Å; R173-E332 IonicContact NH1-OE2 3.9Å; R173-E332 PolarHBondContact NH1-OE2 3.28Å; R173-E332 IonicContact NH2-OE2 2.78Å; R173-E332 PolarHBondContact NH2-OE2 2.97Å; R173-I335 HydrophobicContact CG-CD1 4.26Å
174	R	97.8	Very high	97.2	Very high	9 Å²	9	37.8 Å²	37.8	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-28.4	176.2	-70.9	165.9	70.5	-137.2	0.3	112.8	W170 T172 M176 W209 T210 M212 I335 I363	W170-R174 WeakPolarHBondContact O-CB 3.36Å; W170-R174 WeakPolarHBondContact O-CD 3.37Å; W170-R174 WeakPolarHBondContact O-CG 3.35Å; W170-R174 PolarHBondContact O-N 3.43Å; T172-R174 PolarHBondContact O-N 2.92Å; R174-M176 PolarHBondContact O-N 2.85Å; R174-W209 HydrophobicContact CB-CD2 4.34Å; R174-W209 HydrophobicContact CB-CE3 3.57Å; R174-W209 HydrophobicContact CB-CZ3 4.01Å; R174-W209 PolarHBondContact NH2-O 2.98Å; R174-T210 PolarHBondContact NH2-O 3.42Å; R174-M212 PolarHBondContact NH2-O 3.44Å; R174-I335 HydrophobicContact CG-CD1 3.98Å; R174-I335 HydrophobicContact CG-CG1 3.91Å; R174-I363 HydrophobicContact CG-CD1 4.06Å
175	S	98.1	Very high	97.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-71.7	-18.7	175.9	74.3	0	0	0	0	113.8	S48 L49 N52 N171 T172 R173 V177	S48-S175 CarbonylContact C-O 3.41Å; S48-S175 VanDerWaalsContact CB-O 3.28Å; S48-S175 WeakPolarHBondContact CB-O 3.34Å; S48-S175 WeakPolarHBondContact O-CB 3.3Å; L49-S175 PolarHBondContact N-O 3.08Å; N52-S175 WeakPolarHBondContact CB-OG 3.49Å; N52-S175 PolarHBondContact ND2-OG 3.31Å; N171-S175 WeakPolarHBondContact O-CB 3.39Å; N171-S175 PolarHBondContact O-N 2.72Å; N171-S175 PolarHBondContact O-OG 2.96Å; T172-S175 PolarHBondContact O-N 2.94Å; T172-S175 PolarHBondContact O-OG 3.27Å; R173-S175 VanDerWaalsContact C-N 3.32Å; S175-V177 PolarHBondContact O-N 3.18Å
176	M	98.2	Very high	97.7	Very high	48 Å²	48	35.8 Å²	35.8	24%	0.236	18%	0.179	C	C	.	.			trans	-80.3	58.9	177.3	-60.5	-179.8	70.8	0	0	111.2	W40 F44 L49 T172 R173 R174	W40-M176 HydrophobicContact CZ3-CE 4.1Å; F44-M176 HydrophobicContact CD1-CB 4.13Å; F44-M176 HydrophobicContact CE1-CB 4.1Å; F44-M176 HydrophobicContact CE1-CE 4.11Å; F44-M176 HydrophobicContact CZ-CE 4.02Å; L49-M176 HydrophobicContact CD2-CB 4.41Å; L49-M176 HydrophobicContact CD2-CG 3.85Å; T172-M176 WeakPolarHBondContact O-CG 3.38Å; T172-M176 PolarHBondContact O-N 2.9Å; R173-M176 PolarHBondContact O-N 3.27Å; R174-M176 PolarHBondContact O-N 2.85Å
177	V	98.1	Very high	97.9	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.042	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-71.5	129	175.4	167.1	0	0	0	0	109.5	F44 S45 S175 Y205 W209	F44-V177 CarbonylContact C-O 3.33Å; F44-V177 VanDerWaalsContact CA-O 3.31Å; F44-V177 WeakPolarHBondContact CA-O 3.47Å; S45-V177 PolarHBondContact N-O 3.47Å; S175-V177 PolarHBondContact O-N 3.18Å; V177-Y205 WeakPolarHBondContact CG1-OH 3.46Å; V177-W209 HydrophobicContact CG2-CB 3.93Å; V177-W209 HydrophobicContact CG2-CG 4.45Å
178	F	98.5	Very high	98	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.031	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-60.1	146.3	175.4	-61.6	-42.6	0	0	0	112.4	F43 F44 K180 R183 I305 Q308 W309 E332	F43-F178 WeakPolarHBondContact O-CA 3.34Å; F44-F178 HydrophobicContact CD1-CD1 4.09Å; F44-F178 AromaticContact CE1-CD1 3.66Å; F44-F178 HydrophobicContact CE1-CD1 3.66Å; F44-F178 AromaticContact CE1-CE1 3.8Å; F44-F178 HydrophobicContact CE1-CE1 3.8Å; F44-F178 HydrophobicContact CZ-CD1 4.41Å; F44-F178 HydrophobicContact CZ-CE1 4.34Å; F178-K180 PolarHBondContact O-N 3.31Å; F178-R183 HydrophobicContact CB-CG 3.99Å; F178-R183 PolarHBondContact O-NE 3.33Å; F178-I305 HydrophobicContact CB-CG2 3.83Å; F178-I305 HydrophobicContact CD1-CB 4.33Å; F178-I305 HydrophobicContact CD1-CD1 3.94Å; F178-I305 HydrophobicContact CD1-CG1 3.95Å; F178-I305 HydrophobicContact CD1-CG2 3.48Å; F178-I305 VanDerWaalsContact CD1-CG2 3.48Å; F178-I305 HydrophobicContact CD2-CG2 3.69Å; F178-I305 HydrophobicContact CE1-CB 4.38Å; F178-I305 HydrophobicContact CE1-CD1 4.18Å; F178-I305 HydrophobicContact CE1-CG1 3.81Å; F178-I305 HydrophobicContact CE1-CG2 3.87Å; F178-I305 HydrophobicContact CE2-CG2 4.06Å; F178-I305 HydrophobicContact CG-CG2 3.4Å; F178-I305 HydrophobicContact CZ-CG1 4.45Å; F178-I305 HydrophobicContact CZ-CG2 4.14Å; F178-Q308 HydrophobicContact CZ-CB 4.4Å; F178-W309 AromaticContact CD2-CE3 3.73Å; F178-W309 HydrophobicContact CD2-CE3 3.73Å; F178-W309 HydrophobicContact CD2-CZ3 4.35Å; F178-W309 HydrophobicContact CE2-CE3 4.12Å; F178-E332 HydrophobicContact CE2-CG 4.44Å
179	A	98.3	Very high	98.2	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-53.5	138.9	176.9	0	0	0	0	0	110.7	F43 H181 L182 R183	F43-A179 PolarHBondContact O-N 3.39Å; A179-H181 VanDerWaalsContact C-N 3.27Å; A179-H181 PolarHBondContact O-N 3.12Å; A179-L182 HydrophobicContact CB-CD1 4.21Å; A179-L182 HydrophobicContact CB-CG 4.32Å; A179-L182 WeakPolarHBondContact O-CB 3.36Å; A179-L182 PolarHBondContact O-N 3.25Å; A179-L182 VanDerWaalsContact O-N 3.09Å; A179-R183 PolarHBondContact O-N 3.33Å
180	K	97.7	Very high	98.3	Very high	126 Å²	126	31.8 Å²	31.8	55%	0.548	16%	0.158	S	C	.	.	H	α-helix	trans	-57.4	-40.4	-171.2	-176.6	175.3	179.3	177	0	112.5	F178 L182 R183 L184	F178-K180 PolarHBondContact O-N 3.31Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 3Å; K180-R183 PolarHBondContact O-N 3.13Å; K180-L184 HydrophobicContact CG-CD1 4.12Å; K180-L184 HydrophobicContact CG-CG 4.35Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å; K180-L184 PolarHBondContact O-N 2.87Å
181	H	98.1	Very high	98.3	Very high	72 Å²	72	34 Å²	34	33%	0.333	18%	0.177	S	C	.	.	H	α-helix	trans	-63.3	-36.4	-179.3	72.1	-93.2	0	0	0	112.2	E42 A179 L184 I185	E42-H181 PolarHBondContact O-CE1 3.43Å; A179-H181 VanDerWaalsContact C-N 3.27Å; A179-H181 PolarHBondContact O-N 3.12Å; H181-L184 PolarHBondContact O-N 3.46Å; H181-I185 VanDerWaalsContact O-CG1 3.32Å; H181-I185 WeakPolarHBondContact O-CG1 3.25Å; H181-I185 PolarHBondContact O-N 3.36Å; H181-I185 VanDerWaalsContact O-N 3.12Å
182	L	98.6	Very high	98.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-43.1	176.4	-59.5	177.6	0	0	0	111.8	F43 A179 K180 I185 G186 L298 I305 I306	F43-L182 HydrophobicContact CD1-CD1 4.33Å; A179-L182 HydrophobicContact CB-CD1 4.21Å; A179-L182 HydrophobicContact CB-CG 4.32Å; A179-L182 WeakPolarHBondContact O-CB 3.36Å; A179-L182 PolarHBondContact O-N 3.25Å; A179-L182 VanDerWaalsContact O-N 3.09Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 3Å; L182-I185 PolarHBondContact O-N 3.47Å; L182-G186 PolarHBondContact O-N 3Å; L182-L298 HydrophobicContact CD2-CD2 3.59Å; L182-I305 HydrophobicContact CB-CG2 4.03Å; L182-I305 HydrophobicContact CD1-CB 3.98Å; L182-I305 HydrophobicContact CD1-CD1 3.84Å; L182-I305 HydrophobicContact CD1-CG2 3.68Å; L182-I305 HydrophobicContact CG-CG2 4.47Å; L182-I306 HydrophobicContact CB-CG1 4.31Å; L182-I306 HydrophobicContact CD2-CD1 4.08Å; L182-I306 HydrophobicContact CD2-CG1 4.32Å
183	R	98.1	Very high	98.4	Very high	12 Å²	12	43.4 Å²	43.4	5%	0.045	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-46.3	175.5	-68.7	-175.6	-75.3	127.4	-7.7	111.2	F178 A179 K180 I185 G186 D187 E207 W309	F178-R183 HydrophobicContact CB-CG 3.99Å; F178-R183 PolarHBondContact O-NE 3.33Å; A179-R183 PolarHBondContact O-N 3.33Å; K180-R183 PolarHBondContact O-N 3.13Å; R183-I185 VanDerWaalsContact C-N 3.33Å; R183-I185 PolarHBondContact O-N 2.89Å; R183-G186 CarbonylContact O-C 3.6Å; R183-G186 PolarHBondContact O-N 3.33Å; R183-G186 VanDerWaalsContact O-N 3.12Å; R183-D187 WeakPolarHBondContact O-CB 3.38Å; R183-D187 PolarHBondContact O-N 2.96Å; R183-E207 IonicContact CZ-OE1 2.69Å; R183-E207 IonicContact CZ-OE2 3.61Å; R183-E207 IonicContact NH1-OE1 2.7Å; R183-E207 PolarHBondContact NH1-OE1 2.89Å; R183-E207 IonicContact NH1-OE2 3.14Å; R183-E207 IonicContact NH2-OE1 2.8Å; R183-E207 PolarHBondContact NH2-OE1 2.82Å; R183-E207 IonicContact NH2-OE2 3.64Å; R183-E207 PolarHBondContact NH2-OE2 2.85Å; R183-W309 HydrophobicContact CB-CZ2 4.2Å; R183-W309 HydrophobicContact CG-CD2 4.13Å; R183-W309 HydrophobicContact CG-CE3 4.23Å; R183-W309 HydrophobicContact CG-CH2 4.1Å; R183-W309 HydrophobicContact CG-CZ2 4Å; R183-W309 HydrophobicContact CG-CZ3 4.22Å
184	L	98.3	Very high	98.4	Very high	99 Å²	99	43 Å²	43	52%	0.518	21%	0.21	S	C	.	.	H	α-helix	trans	-59.9	-39.9	178.1	-69.9	174.7	0	0	0	112.8	K180 H181 D187 D188	K180-L184 HydrophobicContact CG-CD1 4.12Å; K180-L184 HydrophobicContact CG-CG 4.35Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å; K180-L184 PolarHBondContact O-N 2.87Å; H181-L184 PolarHBondContact O-N 3.46Å; L184-D187 PolarHBondContact O-N 3.03Å; L184-D188 WeakPolarHBondContact O-CB 3.35Å; L184-D188 PolarHBondContact O-N 3.35Å
185	I	98.7	Very high	98.4	Very high	53 Å²	53	48.7 Å²	48.7	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-44.1	175.1	-66.8	163.6	0	0	0	110.7	H181 L182 R183 D187 D188 F189 F288 L298 I306	H181-I185 VanDerWaalsContact O-CG1 3.32Å; H181-I185 WeakPolarHBondContact O-CG1 3.25Å; H181-I185 PolarHBondContact O-N 3.36Å; H181-I185 VanDerWaalsContact O-N 3.12Å; L182-I185 PolarHBondContact O-N 3.47Å; R183-I185 VanDerWaalsContact C-N 3.33Å; R183-I185 PolarHBondContact O-N 2.89Å; I185-D187 VanDerWaalsContact C-N 3.34Å; I185-D187 PolarHBondContact O-N 3.15Å; I185-D188 PolarHBondContact O-N 2.6Å; I185-F189 WeakPolarHBondContact O-CB 3.08Å; I185-F189 PolarHBondContact O-N 3.26Å; I185-F288 HydrophobicContact CG2-CE2 3.75Å; I185-F288 HydrophobicContact CG2-CZ 3.84Å; I185-L298 HydrophobicContact CD1-CD1 4.31Å; I185-L298 HydrophobicContact CD1-CD2 3.6Å; I185-I306 HydrophobicContact CB-CD1 4.05Å; I185-I306 HydrophobicContact CB-CG1 4.45Å; I185-I306 HydrophobicContact CD1-CD1 4.27Å; I185-I306 HydrophobicContact CG2-CD1 3.68Å; I185-I306 HydrophobicContact CG2-CG1 4.32Å; I185-I306 HydrophobicContact CG2-CG2 4.46Å
186	G	98.6	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-38	176	0	0	0	0	0	113	L182 R183 F189 R190	L182-G186 PolarHBondContact O-N 3Å; R183-G186 CarbonylContact O-C 3.6Å; R183-G186 PolarHBondContact O-N 3.33Å; R183-G186 VanDerWaalsContact O-N 3.12Å; G186-F189 PolarHBondContact O-N 3.03Å; G186-R190 WeakPolarHBondContact O-CB 3.4Å; G186-R190 WeakPolarHBondContact O-CG 3.49Å; G186-R190 PolarHBondContact O-N 3.03Å
187	D	98.7	Very high	98.4	Very high	42 Å²	42	49.1 Å²	49.1	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-69.6	-41.1	177	-66.1	-23	0	0	0	112	R183 L184 I185 F189 R190 A191 W309	R183-D187 WeakPolarHBondContact O-CB 3.38Å; R183-D187 PolarHBondContact O-N 2.96Å; L184-D187 PolarHBondContact O-N 3.03Å; I185-D187 VanDerWaalsContact C-N 3.34Å; I185-D187 PolarHBondContact O-N 3.15Å; D187-F189 VanDerWaalsContact C-N 3.33Å; D187-F189 PolarHBondContact O-N 3.08Å; D187-R190 PolarHBondContact O-N 3.28Å; D187-R190 IonicContact OD1-CZ 3.83Å; D187-R190 IonicContact OD1-NH1 3.28Å; D187-R190 PolarHBondContact OD1-NH1 2.77Å; D187-A191 WeakPolarHBondContact O-CB 3.3Å; D187-A191 PolarHBondContact O-N 3.28Å; D187-W309 PolarHBondContact OD1-NE1 2.79Å
188	D	98.7	Very high	98.4	Very high	101 Å²	101	50.4 Å²	50.4	54%	0.54	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-45.2	172.4	-176.3	68.5	0	0	0	110.9	L184 I185 R190 A191 K192	L184-D188 WeakPolarHBondContact O-CB 3.35Å; L184-D188 PolarHBondContact O-N 3.35Å; I185-D188 PolarHBondContact O-N 2.6Å; D188-R190 PolarHBondContact O-N 2.9Å; D188-A191 PolarHBondContact O-N 3.22Å; D188-K192 WeakPolarHBondContact O-CB 3.33Å; D188-K192 PolarHBondContact O-N 3.03Å
189	F	98.8	Very high	98.3	Very high	14 Å²	14	56.5 Å²	56.5	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-46.2	176.4	-171.8	-84	0	0	0	112.1	I185 G186 D187 A191 K192 Y193 L194 F265 V286 R287 F288 I310	I185-F189 WeakPolarHBondContact O-CB 3.08Å; I185-F189 PolarHBondContact O-N 3.26Å; G186-F189 PolarHBondContact O-N 3.03Å; D187-F189 VanDerWaalsContact C-N 3.33Å; D187-F189 PolarHBondContact O-N 3.08Å; F189-A191 PolarHBondContact O-N 3.31Å; F189-K192 PolarHBondContact O-N 3.1Å; F189-Y193 HydrophobicContact CB-CD2 4.48Å; F189-Y193 HydrophobicContact CD1-CD2 4.26Å; F189-Y193 AromaticContact CD2-CD2 3.4Å; F189-Y193 HydrophobicContact CD2-CD2 3.4Å; F189-Y193 VanDerWaalsContact CD2-CD2 3.4Å; F189-Y193 AromaticContact CD2-CE2 3.72Å; F189-Y193 HydrophobicContact CD2-CE2 3.72Å; F189-Y193 HydrophobicContact CD2-CG 4.43Å; F189-Y193 HydrophobicContact CE1-CD2 4.33Å; F189-Y193 AromaticContact CE2-CD2 3.52Å; F189-Y193 HydrophobicContact CE2-CD2 3.52Å; F189-Y193 AromaticContact CE2-CE2 3.9Å; F189-Y193 HydrophobicContact CE2-CE2 3.9Å; F189-Y193 HydrophobicContact CE2-CG 4.2Å; F189-Y193 AromaticContact CG-CD2 3.82Å; F189-Y193 HydrophobicContact CG-CD2 3.82Å; F189-Y193 HydrophobicContact CG-CE2 4.46Å; F189-Y193 AromaticContact CZ-CD2 4Å; F189-Y193 HydrophobicContact CZ-CD2 4Å; F189-Y193 HydrophobicContact CZ-CG 4.29Å; F189-Y193 WeakPolarHBondContact O-CD2 3.39Å; F189-Y193 PolarHBondContact O-N 3.03Å; F189-L194 HydrophobicContact CD1-CD1 4.12Å; F189-L194 HydrophobicContact CD1-CG 4.4Å; F189-L194 HydrophobicContact CE1-CD1 4.05Å; F189-L194 HydrophobicContact CE1-CG 4.18Å; F189-F265 HydrophobicContact CD1-CE2 4.32Å; F189-F265 AromaticContact CE1-CD2 3.72Å; F189-F265 HydrophobicContact CE1-CD2 3.72Å; F189-F265 AromaticContact CE1-CE2 3.58Å; F189-F265 HydrophobicContact CE1-CE2 3.58Å; F189-F265 HydrophobicContact CZ-CD2 4.29Å; F189-F265 AromaticContact CZ-CE2 3.98Å; F189-F265 HydrophobicContact CZ-CE2 3.98Å; F189-V286 HydrophobicContact CE1-CG1 3.87Å; F189-V286 HydrophobicContact CZ-CG1 3.57Å; F189-R287 WeakPolarHBondContact CZ-O 3.33Å; F189-F288 AromaticContact CD2-CD2 3.6Å; F189-F288 HydrophobicContact CD2-CD2 3.6Å; F189-F288 HydrophobicContact CD2-CE2 4.37Å; F189-F288 HydrophobicContact CE2-CB 4.25Å; F189-F288 AromaticContact CE2-CD2 3.98Å; F189-F288 HydrophobicContact CE2-CD2 3.98Å; F189-F288 HydrophobicContact CG-CD2 4.18Å; F189-F288 HydrophobicContact CZ-CB 4.45Å; F189-I310 HydrophobicContact CB-CD1 4.09Å; F189-I310 HydrophobicContact CD1-CD1 3.53Å; F189-I310 HydrophobicContact CD1-CG1 4.26Å; F189-I310 HydrophobicContact CD1-CG2 4.44Å; F189-I310 HydrophobicContact CE1-CD1 4.15Å; F189-I310 HydrophobicContact CG-CD1 3.87Å
190	R	98.8	Very high	98.3	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-47.9	176.7	-78.3	166.4	59.4	-161.8	4.7	111.4	G186 D187 D188 L194 N195 S196 D198 D201 I310 H313	G186-R190 WeakPolarHBondContact O-CB 3.4Å; G186-R190 WeakPolarHBondContact O-CG 3.49Å; G186-R190 PolarHBondContact O-N 3.03Å; D187-R190 PolarHBondContact O-N 3.28Å; D187-R190 IonicContact OD1-CZ 3.83Å; D187-R190 IonicContact OD1-NH1 3.28Å; D187-R190 PolarHBondContact OD1-NH1 2.77Å; D188-R190 PolarHBondContact O-N 2.9Å; R190-L194 HydrophobicContact CG-CD1 4.44Å; R190-L194 CarbonylContact O-C 3.59Å; R190-L194 WeakPolarHBondContact O-CA 3.41Å; R190-L194 WeakPolarHBondContact O-CB 3.34Å; R190-L194 PolarHBondContact O-N 3.34Å; R190-N195 PolarHBondContact O-N 3.23Å; R190-N195 VanDerWaalsContact O-N 3.14Å; R190-S196 CarbonylContact C-O 3.55Å; R190-S196 VanDerWaalsContact C-O 3.26Å; R190-S196 WeakPolarHBondContact CB-O 3.11Å; R190-S196 PolarHBondContact NE-OG 3.22Å; R190-S196 VanDerWaalsContact NE-OG 3.13Å; R190-S196 PolarHBondContact O-N 3.4Å; R190-D198 IonicContact CZ-OD1 3.06Å; R190-D198 IonicContact NH1-OD1 3.1Å; R190-D198 PolarHBondContact NH1-OD1 3.49Å; R190-D198 IonicContact NH2-OD1 3.61Å; R190-D198 PolarHBondContact NH2-OD1 3.43Å; R190-D201 IonicContact NH2-OD2 3.52Å; R190-D201 PolarHBondContact NH2-OD2 3.11Å; R190-I310 HydrophobicContact CG-CG1 4.34Å; R190-I310 HydrophobicContact CG-CG2 4.42Å; R190-H313 PolarHBondContact NH1-CD2 2.92Å; R190-H313 PolarHBondContact NH1-NE2 2.03Å; R190-H313 PolarHBondContact NH2-CD2 3.45Å; R190-H313 VanDerWaalsContact NH2-CD2 3.26Å
191	A	98.6	Very high	98.3	Very high	49 Å²	49	54.5 Å²	54.5	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-47.4	-179.8	0	0	0	0	0	111.1	D187 D188 F189 S196 T197	D187-A191 WeakPolarHBondContact O-CB 3.3Å; D187-A191 PolarHBondContact O-N 3.28Å; D188-A191 PolarHBondContact O-N 3.22Å; F189-A191 PolarHBondContact O-N 3.31Å; A191-S196 WeakPolarHBondContact CA-O 3.37Å; A191-S196 PolarHBondContact N-O 3.03Å; A191-T197 HydrophobicContact CB-CG2 4.29Å
192	K	98.3	Very high	98.2	Very high	133 Å²	133	58.7 Å²	58.7	58%	0.578	30%	0.297	S	S	*	.	H	α-helix	trans	-73.8	-40.7	-172.5	-174.4	173.3	177.9	-168.7	0	114.1	D188 F189	D188-K192 WeakPolarHBondContact O-CB 3.33Å; D188-K192 PolarHBondContact O-N 3.03Å; F189-K192 PolarHBondContact O-N 3.1Å
193	Y	98.4	Very high	98.1	Very high	118 Å²	118	58.8 Å²	58.8	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-113.4	-18.4	-169.7	-59.2	-74.2	0	0	0	114.1	F189	F189-Y193 HydrophobicContact CB-CD2 4.48Å; F189-Y193 HydrophobicContact CD1-CD2 4.26Å; F189-Y193 AromaticContact CD2-CD2 3.4Å; F189-Y193 HydrophobicContact CD2-CD2 3.4Å; F189-Y193 VanDerWaalsContact CD2-CD2 3.4Å; F189-Y193 AromaticContact CD2-CE2 3.72Å; F189-Y193 HydrophobicContact CD2-CE2 3.72Å; F189-Y193 HydrophobicContact CD2-CG 4.43Å; F189-Y193 HydrophobicContact CE1-CD2 4.33Å; F189-Y193 AromaticContact CE2-CD2 3.52Å; F189-Y193 HydrophobicContact CE2-CD2 3.52Å; F189-Y193 AromaticContact CE2-CE2 3.9Å; F189-Y193 HydrophobicContact CE2-CE2 3.9Å; F189-Y193 HydrophobicContact CE2-CG 4.2Å; F189-Y193 AromaticContact CG-CD2 3.82Å; F189-Y193 HydrophobicContact CG-CD2 3.82Å; F189-Y193 HydrophobicContact CG-CE2 4.46Å; F189-Y193 AromaticContact CZ-CD2 4Å; F189-Y193 HydrophobicContact CZ-CD2 4Å; F189-Y193 HydrophobicContact CZ-CG 4.29Å; F189-Y193 WeakPolarHBondContact O-CD2 3.39Å; F189-Y193 PolarHBondContact O-N 3.03Å
194	L	98.4	Very high	97.5	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-120.7	0.7	-171.9	-54.3	177.4	0	0	0	113.7	F189 R190 S196 P223 Y224 T263 F265 V286 I310	F189-L194 HydrophobicContact CD1-CD1 4.12Å; F189-L194 HydrophobicContact CD1-CG 4.4Å; F189-L194 HydrophobicContact CE1-CD1 4.05Å; F189-L194 HydrophobicContact CE1-CG 4.18Å; R190-L194 HydrophobicContact CG-CD1 4.44Å; R190-L194 CarbonylContact O-C 3.59Å; R190-L194 WeakPolarHBondContact O-CA 3.41Å; R190-L194 WeakPolarHBondContact O-CB 3.34Å; R190-L194 PolarHBondContact O-N 3.34Å; L194-S196 VanDerWaalsContact C-N 3.27Å; L194-S196 PolarHBondContact O-N 2.72Å; L194-P223 WeakPolarHBondContact O-CD 3.28Å; L194-P223 WeakPolarHBondContact O-CG 3.31Å; L194-Y224 HydrophobicContact CB-CD1 3.78Å; L194-Y224 HydrophobicContact CB-CE1 4.03Å; L194-Y224 HydrophobicContact CB-CG 4.27Å; L194-Y224 HydrophobicContact CD1-CD1 4.12Å; L194-Y224 HydrophobicContact CD1-CD2 4Å; L194-Y224 HydrophobicContact CD1-CE1 3.92Å; L194-Y224 HydrophobicContact CD1-CE2 3.76Å; L194-Y224 HydrophobicContact CD1-CG 4.17Å; L194-Y224 HydrophobicContact CD2-CD2 4.5Å; L194-Y224 HydrophobicContact CD2-CG 4.29Å; L194-Y224 HydrophobicContact CG-CD1 4.41Å; L194-Y224 HydrophobicContact CG-CG 4.49Å; L194-T263 HydrophobicContact CD2-CG2 3.69Å; L194-F265 HydrophobicContact CD1-CB 4.29Å; L194-F265 HydrophobicContact CD1-CD2 4.29Å; L194-F265 HydrophobicContact CD1-CG 4.46Å; L194-F265 HydrophobicContact CD2-CB 4.39Å; L194-V286 HydrophobicContact CD2-CB 4.21Å; L194-V286 HydrophobicContact CD2-CG1 4.01Å; L194-I310 HydrophobicContact CD1-CG2 3.46Å; L194-I310 VanDerWaalsContact CD1-CG2 3.46Å
195	N	98.1	Very high	97	Very high	129 Å²	129	61.6 Å²	61.6	69%	0.69	31%	0.31	S	S	*	.			trans	50.6	48.8	-177	-171.9	43.6	0	0	0	111.5	R190 P223	R190-N195 PolarHBondContact O-N 3.23Å; R190-N195 VanDerWaalsContact O-N 3.14Å; N195-P223 HydrophobicContact CB-CG 4.19Å; N195-P223 WeakPolarHBondContact O-CD 3.33Å; N195-P223 WeakPolarHBondContact O-CG 3.27Å
196	S	98.6	Very high	96.4	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.007	31%	0.314	C	S	.	.			trans	-133.3	124.6	-168.1	163.7	0	0	0	0	109.8	R190 A191 L194 D201	R190-S196 CarbonylContact C-O 3.55Å; R190-S196 VanDerWaalsContact C-O 3.26Å; R190-S196 WeakPolarHBondContact CB-O 3.11Å; R190-S196 PolarHBondContact NE-OG 3.22Å; R190-S196 VanDerWaalsContact NE-OG 3.13Å; R190-S196 PolarHBondContact O-N 3.4Å; A191-S196 WeakPolarHBondContact CA-O 3.37Å; A191-S196 PolarHBondContact N-O 3.03Å; L194-S196 VanDerWaalsContact C-N 3.27Å; L194-S196 PolarHBondContact O-N 2.72Å; S196-D201 WeakPolarHBondContact CB-OD2 3.26Å; S196-D201 PolarHBondContact OG-OD2 3.09Å
197	T	98.4	Very high	95.9	Very high	57 Å²	57	66.9 Å²	66.9	35%	0.35	34%	0.335	S	S	.	.			trans	-140.6	157.8	171.7	71.1	0	0	0	0	109.6	A191 D199 T200 D201	A191-T197 HydrophobicContact CB-CG2 4.29Å; T197-D199 PolarHBondContact O-N 3Å; T197-T200 PolarHBondContact N-OG1 3.14Å; T197-T200 PolarHBondContact O-N 3.2Å; T197-T200 PolarHBondContact O-OG1 2.62Å; T197-T200 VanDerWaalsContact O-OG1 3.05Å; T197-T200 PolarHBondContact OG1-N 3.01Å; T197-T200 PolarHBondContact OG1-OG1 3.46Å; T197-D201 PolarHBondContact N-OD2 3.45Å; T197-D201 WeakPolarHBondContact O-CB 3.31Å; T197-D201 PolarHBondContact O-N 2.89Å
198	D	97.7	Very high	95.7	Very high	35 Å²	35	67.4 Å²	67.4	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-32.2	-177	-69.2	-22	0	0	0	113.8	R190 R202 T203 H313	R190-D198 IonicContact CZ-OD1 3.06Å; R190-D198 IonicContact NH1-OD1 3.1Å; R190-D198 PolarHBondContact NH1-OD1 3.49Å; R190-D198 IonicContact NH2-OD1 3.61Å; R190-D198 PolarHBondContact NH2-OD1 3.43Å; D198-R202 WeakPolarHBondContact O-CA 3.09Å; D198-R202 PolarHBondContact O-N 3.45Å; D198-T203 WeakPolarHBondContact CA-OG1 2.99Å; D198-T203 PolarHBondContact O-N 3Å; D198-T203 PolarHBondContact OD1-OG1 2.76Å; D198-H313 IonicContact OD1-CD2 3.85Å; D198-H313 IonicContact OD1-NE2 3.91Å
199	D	96.5	Very high	95.5	Very high	134 Å²	134	63.3 Å²	63.3	72%	0.717	32%	0.315	S	S	*	.	H	α-helix	trans	-66.6	-47.1	176.1	-68.3	-35.2	0	0	0	112	T197 D201	T197-D199 PolarHBondContact O-N 3Å; D199-D201 VanDerWaalsContact C-N 3.32Å
200	T	97.3	Very high	95.4	Very high	87 Å²	87	65.5 Å²	65.5	53%	0.534	33%	0.33	S	S	.	.	H	α-helix	trans	-71.9	-31.8	179.5	58.1	0	0	0	0	112.2	T197	T197-T200 PolarHBondContact N-OG1 3.14Å; T197-T200 PolarHBondContact O-N 3.2Å; T197-T200 PolarHBondContact O-OG1 2.62Å; T197-T200 VanDerWaalsContact O-OG1 3.05Å; T197-T200 PolarHBondContact OG1-N 3.01Å; T197-T200 PolarHBondContact OG1-OG1 3.46Å
201	D	98.3	Very high	95.1	Very high	2 Å²	2	74.2 Å²	74.2	1%	0.011	36%	0.363	C	S	.	.	H	α-helix	trans	-92.1	-10	-171.8	-58.6	-5.4	0	0	0	112.2	R190 S196 T197 D199 T203 I220 G221 G222	R190-D201 IonicContact NH2-OD2 3.52Å; R190-D201 PolarHBondContact NH2-OD2 3.11Å; S196-D201 WeakPolarHBondContact CB-OD2 3.26Å; S196-D201 PolarHBondContact OG-OD2 3.09Å; T197-D201 PolarHBondContact N-OD2 3.45Å; T197-D201 WeakPolarHBondContact O-CB 3.31Å; T197-D201 PolarHBondContact O-N 2.89Å; D199-D201 VanDerWaalsContact C-N 3.32Å; D201-T203 HydrophobicContact CB-CG2 4.21Å; D201-T203 PolarHBondContact O-N 2.71Å; D201-I220 WeakPolarHBondContact O-CA 3.26Å; D201-I220 WeakPolarHBondContact O-CB 3.42Å; D201-I220 PolarHBondContact O-N 3.41Å; D201-G221 PolarHBondContact O-N 3.34Å; D201-G222 VanDerWaalsContact OD1-CA 3.26Å; D201-G222 WeakPolarHBondContact OD1-CA 3.47Å; D201-G222 VanDerWaalsContact OD2-CA 3.31Å; D201-G222 WeakPolarHBondContact OD2-CA 3.49Å; D201-G222 PolarHBondContact OD2-N 3.36Å
202	R	97.4	Very high	94.9	Very high	161 Å²	161	72.4 Å²	72.4	61%	0.608	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	39.2	-173.3	-55.5	-171	-176.5	171.9	-2.9	112.7	D198 A219 I220	D198-R202 WeakPolarHBondContact O-CA 3.09Å; D198-R202 PolarHBondContact O-N 3.45Å; R202-A219 WeakPolarHBondContact O-CA 3.18Å; R202-I220 HydrophobicContact CB-CG1 4.37Å; R202-I220 VanDerWaalsContact CD-CD1 3.5Å; R202-I220 HydrophobicContact CG-CD1 3.99Å; R202-I220 HydrophobicContact CG-CG1 4.32Å
203	T	96.3	Very high	94.6	Very high	2 Å²	2	72.5 Å²	72.5	1%	0.012	35%	0.346	C	S	.	.			trans	-104.6	46.7	176.8	47.5	0	0	0	0	110.3	D198 D201 Y205 A219 H313 F338	D198-T203 WeakPolarHBondContact CA-OG1 2.99Å; D198-T203 PolarHBondContact O-N 3Å; D198-T203 PolarHBondContact OD1-OG1 2.76Å; D201-T203 HydrophobicContact CB-CG2 4.21Å; D201-T203 PolarHBondContact O-N 2.71Å; T203-Y205 PolarHBondContact O-N 2.78Å; T203-A219 HydrophobicContact CG2-CB 3.99Å; T203-H313 PolarHBondContact OG1-CD2 3Å; T203-F338 HydrophobicContact CG2-CE2 3.72Å; T203-F338 HydrophobicContact CG2-CZ 3.56Å
204	L	85.7	Confident	94.3	Very high	120 Å²	120	67.9 Å²	67.9	63%	0.628	33%	0.332	S	S	*	.			trans	-54.9	127.9	-176.3	-66.9	174.8	0	0	0	111.3
205	Y	86.1	Confident	93.9	Very high	51 Å²	51	75.7 Å²	75.7	20%	0.2	37%	0.365	C	S	.	.			trans	-106.8	147.1	-175.3	-169.2	-95.2	0	0	0	111.5	V177 T203 M212 W309	V177-Y205 WeakPolarHBondContact CG1-OH 3.46Å; T203-Y205 PolarHBondContact O-N 2.78Å; Y205-M212 HydrophobicContact CD2-CE 4.15Å; Y205-M212 HydrophobicContact CD2-SD 4.36Å; Y205-M212 HydrophobicContact CE2-SD 4.32Å; Y205-W309 AromaticContact CD2-CH2 3.92Å; Y205-W309 HydrophobicContact CD2-CH2 3.92Å; Y205-W309 AromaticContact CE2-CH2 3.93Å; Y205-W309 HydrophobicContact CE2-CH2 3.93Å; Y205-W309 HydrophobicContact CE2-CZ3 4.45Å
206	N	87.8	Confident	93.7	Very high	67 Å²	67	73 Å²	73	36%	0.358	36%	0.355	S	S	.	.			trans	-125.7	127.7	170.9	-165.3	-40.8	0	0	0	109.2	D208 M212	N206-D208 PolarHBondContact O-N 3.39Å; N206-D208 PolarHBondContact OD1-N 3.49Å; N206-M212 HydrophobicContact CB-CB 4.39Å
207	E	87.1	Confident	93.5	Very high	96 Å²	96	75 Å²	75	45%	0.449	38%	0.375	S	S	.	.	S	Bend	trans	-61.5	-32.2	177.2	-66.6	-65.8	157.1	0	0	112.2	R183 W209	R183-E207 IonicContact CZ-OE1 2.69Å; R183-E207 IonicContact CZ-OE2 3.61Å; R183-E207 IonicContact NH1-OE1 2.7Å; R183-E207 PolarHBondContact NH1-OE1 2.89Å; R183-E207 IonicContact NH1-OE2 3.14Å; R183-E207 IonicContact NH2-OE1 2.8Å; R183-E207 PolarHBondContact NH2-OE1 2.82Å; R183-E207 IonicContact NH2-OE2 3.64Å; R183-E207 PolarHBondContact NH2-OE2 2.85Å; E207-W209 PolarHBondContact O-N 2.85Å
208	D	93.7	Very high	93.4	Very high	53 Å²	53	74.6 Å²	74.6	28%	0.283	38%	0.375	S	S	.	.	S	Bend	trans	-84.7	94.7	168.8	-177.1	-4.9	0	0	0	109.6	N206 T210 R211 M212	N206-D208 PolarHBondContact O-N 3.39Å; N206-D208 PolarHBondContact OD1-N 3.49Å; D208-T210 VanDerWaalsContact CG-OG1 3.3Å; D208-T210 PolarHBondContact O-N 2.99Å; D208-T210 VanDerWaalsContact O-N 3.08Å; D208-T210 WeakPolarHBondContact OD1-CB 3.45Å; D208-T210 WeakPolarHBondContact OD1-CG2 3Å; D208-T210 PolarHBondContact OD1-N 2.81Å; D208-T210 PolarHBondContact OD1-OG1 3.25Å; D208-T210 PolarHBondContact OD2-OG1 3.49Å; D208-R211 HydrophobicContact CB-CG 4.31Å; D208-R211 PolarHBondContact O-N 2.91Å; D208-R211 WeakPolarHBondContact OD2-CD 3.37Å; D208-R211 WeakPolarHBondContact OD2-CG 3.4Å; D208-R211 IonicContact OD2-CZ 2.8Å; D208-R211 IonicContact OD2-NE 3.56Å; D208-R211 PolarHBondContact OD2-NE 2.9Å; D208-R211 IonicContact OD2-NH2 3.35Å; D208-M212 PolarHBondContact O-N 3.47Å
209	W	95.7	Very high	93.4	Very high	16 Å²	16	73.4 Å²	73.4	6%	0.061	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.6	-179.6	71.5	-97	0	0	0	112.5	S48 A51 N52 N171 R174 V177 E207 R211 M212	S48-W209 PolarHBondContact O-NE1 3.09Å; A51-W209 HydrophobicContact CB-CZ2 4.4Å; N52-W209 HydrophobicContact CB-CH2 4.33Å; N52-W209 HydrophobicContact CB-CZ2 3.81Å; N171-W209 HydrophobicContact CB-CH2 4.3Å; N171-W209 HydrophobicContact CB-CZ3 4.5Å; R174-W209 HydrophobicContact CB-CD2 4.34Å; R174-W209 HydrophobicContact CB-CE3 3.57Å; R174-W209 HydrophobicContact CB-CZ3 4.01Å; R174-W209 PolarHBondContact NH2-O 2.98Å; V177-W209 HydrophobicContact CG2-CB 3.93Å; V177-W209 HydrophobicContact CG2-CG 4.45Å; E207-W209 PolarHBondContact O-N 2.85Å; W209-R211 PolarHBondContact O-N 3.33Å; W209-M212 WeakPolarHBondContact O-CB 3.42Å; W209-M212 PolarHBondContact O-N 3.5Å; W209-M212 VanDerWaalsContact O-N 3.1Å
210	T	95.7	Very high	93.5	Very high	59 Å²	59	70 Å²	70	36%	0.362	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-64.7	-29.1	-179.1	73.3	0	0	0	0	111.8	R174 D208	R174-T210 PolarHBondContact NH2-O 3.42Å; D208-T210 VanDerWaalsContact CG-OG1 3.3Å; D208-T210 PolarHBondContact O-N 2.99Å; D208-T210 VanDerWaalsContact O-N 3.08Å; D208-T210 WeakPolarHBondContact OD1-CB 3.45Å; D208-T210 WeakPolarHBondContact OD1-CG2 3Å; D208-T210 PolarHBondContact OD1-N 2.81Å; D208-T210 PolarHBondContact OD1-OG1 3.25Å; D208-T210 PolarHBondContact OD2-OG1 3.49Å
211	R	94.1	Very high	93.5	Very high	185 Å²	185	65.9 Å²	65.9	70%	0.698	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-88.4	-14.5	177.5	-59.5	-179.8	-167.4	-156	-4	113.2	D208 W209 K213	D208-R211 HydrophobicContact CB-CG 4.31Å; D208-R211 PolarHBondContact O-N 2.91Å; D208-R211 WeakPolarHBondContact OD2-CD 3.37Å; D208-R211 WeakPolarHBondContact OD2-CG 3.4Å; D208-R211 IonicContact OD2-CZ 2.8Å; D208-R211 IonicContact OD2-NE 3.56Å; D208-R211 PolarHBondContact OD2-NE 2.9Å; D208-R211 IonicContact OD2-NH2 3.35Å; W209-R211 PolarHBondContact O-N 3.33Å; R211-K213 PolarHBondContact O-N 2.98Å; R211-K213 VanDerWaalsContact O-N 3.09Å
212	M	92.6	Very high	93.5	Very high	12 Å²	12	65.8 Å²	65.8	6%	0.059	33%	0.325	C	S	.	.			trans	-74.3	100.3	178.9	-169.6	-179.1	-175.2	0	0	110.5	R174 Y205 N206 D208 W209 I335 L336 Y365	R174-M212 PolarHBondContact NH2-O 3.44Å; Y205-M212 HydrophobicContact CD2-CE 4.15Å; Y205-M212 HydrophobicContact CD2-SD 4.36Å; Y205-M212 HydrophobicContact CE2-SD 4.32Å; N206-M212 HydrophobicContact CB-CB 4.39Å; D208-M212 PolarHBondContact O-N 3.47Å; W209-M212 WeakPolarHBondContact O-CB 3.42Å; W209-M212 PolarHBondContact O-N 3.5Å; W209-M212 VanDerWaalsContact O-N 3.1Å; M212-I335 HydrophobicContact CE-CG2 3.99Å; M212-I335 HydrophobicContact SD-CG2 3.86Å; M212-L336 HydrophobicContact CE-CD2 3.78Å; M212-Y365 WeakPolarHBondContact O-CE1 3.38Å
213	K	93.1	Very high	93.6	Very high	134 Å²	134	60.1 Å²	60.1	58%	0.583	31%	0.309	S	S	*	.			trans	-128.2	96.9	174.7	-61.5	-171.1	-179.7	-175.3	0	109.6	R211 Y365	R211-K213 PolarHBondContact O-N 2.98Å; R211-K213 VanDerWaalsContact O-N 3.09Å; K213-Y365 HydrophobicContact CB-CD1 4.39Å; K213-Y365 HydrophobicContact CB-CE1 4.23Å; K213-Y365 HydrophobicContact CD-CD1 4.35Å; K213-Y365 HydrophobicContact CD-CG 4.32Å; K213-Y365 HydrophobicContact CG-CD1 3.77Å; K213-Y365 HydrophobicContact CG-CE1 4Å; K213-Y365 HydrophobicContact CG-CG 4.15Å
214	S	91.1	Very high	93.7	Very high	22 Å²	22	60 Å²	60	15%	0.154	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-88	137.4	-179.2	-60.7	0	0	0	0	110.4	I335 L336 Y365	S214-I335 PolarHBondContact OG-O 3.49Å; S214-L336 PolarHBondContact OG-O 3.1Å; S214-Y365 PolarHBondContact N-OH 2.91Å
215	K	91.8	Very high	94.3	Very high	166 Å²	166	54.3 Å²	54.3	72%	0.722	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-72.8	130.5	172.8	-179.9	-179.5	176.9	-178.2	0	107.9	G217 S218	K215-G217 PolarHBondContact O-N 2.79Å; K215-S218 VanDerWaalsContact O-CB 3.23Å; K215-S218 WeakPolarHBondContact O-CB 3.4Å; K215-S218 PolarHBondContact O-N 2.9Å; K215-S218 PolarHBondContact O-OG 3.42Å
216	P	92.8	Very high	94.9	Very high	74 Å²	74	51.9 Å²	51.9	48%	0.481	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	128.2	177.5	-28	35.3	0	0	0	112
217	G	94.5	Very high	95.5	Very high	41 Å²	41	48.7 Å²	48.7	42%	0.423	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	11.3	-176.2	0	0	0	0	0	115.4	K215 G337	K215-G217 PolarHBondContact O-N 2.79Å; G217-G337 CarbonylContact C-O 3.54Å; G217-G337 WeakPolarHBondContact CA-O 3.41Å; G217-G337 PolarHBondContact N-O 2.85Å
218	S	96	Very high	96	Very high	50 Å²	50	44.3 Å²	44.3	35%	0.35	23%	0.232	S	C	.	.			trans	-76.2	-30.1	174.4	62.5	0	0	0	0	113.2	K215 G337	K215-S218 VanDerWaalsContact O-CB 3.23Å; K215-S218 WeakPolarHBondContact O-CB 3.4Å; K215-S218 PolarHBondContact O-N 2.9Å; K215-S218 PolarHBondContact O-OG 3.42Å; S218-G337 PolarHBondContact N-O 2.82Å; S218-G337 VanDerWaalsContact N-O 3.14Å
219	A	97.8	Very high	96.1	Very high	9 Å²	9	41.9 Å²	41.9	7%	0.074	22%	0.219	C	C	.	.			trans	-77.8	139.5	177.7	0	0	0	0	0	111.6	R202 T203 G337 F338	R202-A219 WeakPolarHBondContact O-CA 3.18Å; T203-A219 HydrophobicContact CG2-CB 3.99Å; A219-G337 PolarHBondContact N-O 2.91Å; A219-F338 HydrophobicContact CB-CD1 4.07Å; A219-F338 HydrophobicContact CB-CD2 3.83Å; A219-F338 HydrophobicContact CB-CE1 4.13Å; A219-F338 HydrophobicContact CB-CE2 3.89Å; A219-F338 HydrophobicContact CB-CG 3.93Å; A219-F338 HydrophobicContact CB-CZ 4.05Å
220	I	98.2	Very high	96	Very high	64 Å²	64	42.2 Å²	42.2	33%	0.328	22%	0.22	S	C	.	.			trans	-101.8	-44.1	178	-61.7	179.2	0	0	0	110.9	D201 R202 R315	D201-I220 WeakPolarHBondContact O-CA 3.26Å; D201-I220 WeakPolarHBondContact O-CB 3.42Å; D201-I220 PolarHBondContact O-N 3.41Å; R202-I220 HydrophobicContact CB-CG1 4.37Å; R202-I220 VanDerWaalsContact CD-CD1 3.5Å; R202-I220 HydrophobicContact CG-CD1 3.99Å; R202-I220 HydrophobicContact CG-CG1 4.32Å; I220-R315 WeakPolarHBondContact O-CA 3.24Å
221	G	98.5	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.			trans	80.7	156.2	-174.6	0	0	0	0	0	114.5	D201 H313 R315	D201-G221 PolarHBondContact O-N 3.34Å; G221-H313 CarbonylContact C-O 3.56Å; G221-H313 WeakPolarHBondContact CA-O 3.33Å; G221-R315 PolarHBondContact O-NE 3.49Å; G221-R315 PolarHBondContact O-NH2 3.32Å
222	G	98.5	Very high	95.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	159.9	-178.1	0	0	0	0	0	113	D201 Y224 H313 R315	D201-G222 VanDerWaalsContact OD1-CA 3.26Å; D201-G222 WeakPolarHBondContact OD1-CA 3.47Å; D201-G222 VanDerWaalsContact OD2-CA 3.31Å; D201-G222 WeakPolarHBondContact OD2-CA 3.49Å; D201-G222 PolarHBondContact OD2-N 3.36Å; G222-Y224 PolarHBondContact O-N 2.58Å; G222-H313 PolarHBondContact N-O 3Å; G222-R315 WeakPolarHBondContact O-CB 3.29Å; G222-R315 PolarHBondContact O-N 2.59Å; G222-R315 VanDerWaalsContact O-N 3.15Å
223	P	98.4	Very high	94.2	Very high	42 Å²	42	38 Å²	38	27%	0.273	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	42.7	-170.7	33.7	-37.3	0	0	0	114	L194 N195	L194-P223 WeakPolarHBondContact O-CD 3.28Å; L194-P223 WeakPolarHBondContact O-CG 3.31Å; N195-P223 HydrophobicContact CB-CG 4.19Å; N195-P223 WeakPolarHBondContact O-CD 3.33Å; N195-P223 WeakPolarHBondContact O-CG 3.27Å
224	Y	98.8	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.4	179.6	65.2	-79.5	0	0	0	112.3	L194 G222 T263 F265 I310 H313 A314 R315	L194-Y224 HydrophobicContact CB-CD1 3.78Å; L194-Y224 HydrophobicContact CB-CE1 4.03Å; L194-Y224 HydrophobicContact CB-CG 4.27Å; L194-Y224 HydrophobicContact CD1-CD1 4.12Å; L194-Y224 HydrophobicContact CD1-CD2 4Å; L194-Y224 HydrophobicContact CD1-CE1 3.92Å; L194-Y224 HydrophobicContact CD1-CE2 3.76Å; L194-Y224 HydrophobicContact CD1-CG 4.17Å; L194-Y224 HydrophobicContact CD2-CD2 4.5Å; L194-Y224 HydrophobicContact CD2-CG 4.29Å; L194-Y224 HydrophobicContact CG-CD1 4.41Å; L194-Y224 HydrophobicContact CG-CG 4.49Å; G222-Y224 PolarHBondContact O-N 2.58Å; Y224-T263 VanDerWaalsContact CA-O 3.29Å; Y224-T263 WeakPolarHBondContact CA-O 3.45Å; Y224-F265 HydrophobicContact CD2-CB 3.8Å; Y224-F265 HydrophobicContact CE2-CB 4.04Å; Y224-I310 HydrophobicContact CE2-CG2 4.16Å; Y224-I310 WeakPolarHBondContact CE2-O 3.31Å; Y224-I310 PolarHBondContact OH-O 2.83Å; Y224-H313 WeakPolarHBondContact OH-CB 3.46Å; Y224-A314 HydrophobicContact CD2-CB 3.82Å; Y224-A314 HydrophobicContact CE2-CB 3.43Å; Y224-A314 VanDerWaalsContact CE2-CB 3.43Å; Y224-A314 PolarHBondContact OH-N 3.27Å; Y224-R315 PolarHBondContact O-N 2.78Å
225	L	98.8	Very high	92.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.4	169	175.6	69.4	0	0	0	108.8	V227 I252 M255 M256 L261 T263 V264 F265 F316 I318	L225-V227 HydrophobicContact CD2-CG2 3.98Å; L225-V227 HydrophobicContact CG-CG2 3.97Å; L225-I252 HydrophobicContact CD2-CB 4.49Å; L225-I252 HydrophobicContact CD2-CG2 4.01Å; L225-M255 HydrophobicContact CD1-CB 4.38Å; L225-M255 HydrophobicContact CD2-CB 4.1Å; L225-M256 HydrophobicContact CB-CG 4.21Å; L225-M256 HydrophobicContact CD2-CG 3.75Å; L225-L261 HydrophobicContact CB-CD1 3.9Å; L225-T263 PolarHBondContact N-O 3.47Å; L225-V264 HydrophobicContact CB-CB 4.33Å; L225-V264 HydrophobicContact CB-CG2 4.14Å; L225-V264 HydrophobicContact CD2-CG2 4.04Å; L225-V264 HydrophobicContact CG-CG2 4.18Å; L225-V264 CarbonylContact O-C 3.56Å; L225-V264 WeakPolarHBondContact O-CA 3.47Å; L225-F265 PolarHBondContact O-N 3.3Å; L225-F316 HydrophobicContact CD1-CB 3.96Å; L225-F316 HydrophobicContact CD1-CD1 3.72Å; L225-F316 HydrophobicContact CD1-CG 4.26Å; L225-F316 WeakPolarHBondContact CD1-O 3.23Å; L225-I318 HydrophobicContact CD1-CG2 4.47Å
226	G	98.8	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129	171.2	0	0	0	0	0	110.3	A314 F316 F317 I318	G226-A314 VanDerWaalsContact N-CB 3.28Å; G226-F316 PolarHBondContact N-O 3.37Å; G226-F317 WeakPolarHBondContact O-CA 3.37Å; G226-F317 WeakPolarHBondContact O-CD2 3.47Å; G226-I318 PolarHBondContact O-N 2.89Å
227	V	98.7	Very high	90.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.3	-179.9	173.4	0	0	0	0	109.2	L225 L229 I252 V264 F265 V266 A267 I318 F347	L225-V227 HydrophobicContact CD2-CG2 3.98Å; L225-V227 HydrophobicContact CG-CG2 3.97Å; V227-L229 HydrophobicContact CG1-CB 4.37Å; V227-I252 HydrophobicContact CG1-CD1 4.05Å; V227-I252 HydrophobicContact CG2-CD1 4.07Å; V227-I252 HydrophobicContact CG2-CG1 3.91Å; V227-V264 HydrophobicContact CB-CG2 4.39Å; V227-V264 HydrophobicContact CG2-CG2 3.58Å; V227-F265 PolarHBondContact N-O 2.78Å; V227-V266 HydrophobicContact CB-CG2 4.32Å; V227-V266 HydrophobicContact CG1-CG1 4.37Å; V227-A267 PolarHBondContact O-N 2.81Å; V227-I318 WeakPolarHBondContact CA-O 3.29Å; V227-I318 HydrophobicContact CG2-CG2 3.89Å; V227-F347 HydrophobicContact CG1-CE2 3.71Å; V227-F347 HydrophobicContact CG1-CZ 3.69Å; V227-F347 HydrophobicContact CG2-CZ 4.46Å
228	H	98.6	Very high	90	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.2	162.3	172.5	-115.1	0	0	0	110.2	A267 F317 I318 G319 T320 S323 F325 S326 I329	H228-A267 WeakPolarHBondContact CA-O 3.4Å; H228-F317 HydrophobicContact CB-CE2 3.92Å; H228-F317 HydrophobicContact CB-CZ 3.81Å; H228-I318 PolarHBondContact N-O 3.18Å; H228-G319 CarbonylContact O-C 3.57Å; H228-T320 PolarHBondContact O-N 3.49Å; H228-T320 PolarHBondContact O-OG1 3.28Å; H228-S323 PolarHBondContact CE1-OG 3.21Å; H228-S323 VanDerWaalsContact CE1-OG 3.27Å; H228-F325 HydrophobicContact CB-CD1 4.41Å; H228-F325 AromaticContact CD2-CD1 3.3Å; H228-F325 WeakPolarHBondContact CD2-CD1 3.3Å; H228-F325 AromaticContact CD2-CE1 3.49Å; H228-F325 VanDerWaalsContact CD2-CE1 3.49Å; H228-F325 WeakPolarHBondContact CD2-CE1 3.47Å; H228-F325 AromaticContact CE1-CD1 3.63Å; H228-F325 AromaticContact CE1-CG 3.93Å; H228-F325 AromaticContact CG-CD1 3.56Å; H228-F325 AromaticContact CG-CE1 3.95Å; H228-F325 AromaticContact ND1-CD1 3.75Å; H228-F325 AromaticContact NE2-CD1 3.37Å; H228-F325 WeakPolarHBondContact NE2-CD1 3.43Å; H228-F325 AromaticContact NE2-CE1 3.94Å; H228-F325 AromaticContact NE2-CG 3.72Å; H228-S326 PolarHBondContact ND1-OG 3.14Å; H228-I329 HydrophobicContact CB-CD1 4.18Å
229	L	96.4	Very high	89.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	102.1	179.5	-172.1	68	0	0	0	110	V227 R231 P243 L245 A248 A267 T268 L278 T320 F347	V227-L229 HydrophobicContact CG1-CB 4.37Å; L229-R231 HydrophobicContact CD2-CG 4.36Å; L229-R231 HydrophobicContact CG-CG 4.15Å; L229-P243 HydrophobicContact CD1-CG 4.16Å; L229-L245 HydrophobicContact CD2-CD2 4.15Å; L229-A248 HydrophobicContact CD1-CB 4.23Å; L229-A248 HydrophobicContact CD2-CB 4.31Å; L229-A267 PolarHBondContact N-O 3.22Å; L229-T268 WeakPolarHBondContact O-CA 3.42Å; L229-T268 WeakPolarHBondContact O-CB 3.46Å; L229-T268 PolarHBondContact O-OG1 3.21Å; L229-L278 HydrophobicContact CD2-CD2 4.26Å; L229-T320 WeakPolarHBondContact CA-OG1 3.32Å; L229-F347 HydrophobicContact CD1-CD2 4.26Å; L229-F347 HydrophobicContact CD1-CE2 4.36Å
230	R	93.7	Very high	88.4	Confident	24 Å²	24	45.9 Å²	45.9	9%	0.091	23%	0.226	C	C	.	.			trans	-84.7	126.8	175.1	-173.1	74.6	-175.4	155.6	21.7	110	H27 D233 F234 D269 T320	H27-R230 PolarHBondContact CD2-NH2 3.05Å; R230-D233 IonicContact CZ-OD1 3.72Å; R230-D233 IonicContact NH2-OD1 3.63Å; R230-D233 PolarHBondContact NH2-OD1 3.28Å; R230-F234 HydrophobicContact CB-CB 4.5Å; R230-F234 HydrophobicContact CB-CD1 4.18Å; R230-F234 HydrophobicContact CB-CG 4.32Å; R230-F234 HydrophobicContact CG-CB 3.53Å; R230-F234 HydrophobicContact CG-CD1 3.89Å; R230-F234 HydrophobicContact CG-CD2 3.99Å; R230-F234 HydrophobicContact CG-CG 3.53Å; R230-D269 WeakPolarHBondContact CA-OD1 3.19Å; R230-D269 IonicContact CZ-OD2 3.59Å; R230-D269 IonicContact NE-OD2 2.81Å; R230-D269 PolarHBondContact NE-OD2 2.95Å; R230-D269 VanDerWaalsContact NH1-CG 3.34Å; R230-D269 IonicContact NH1-OD2 3.36Å; R230-D269 PolarHBondContact NH1-OD2 3.24Å; R230-D269 IonicContact NH2-OD2 3.54Å; R230-D269 PolarHBondContact NH2-OD2 3.11Å; R230-D269 VanDerWaalsContact NH2-OD2 3.11Å; R230-T320 HydrophobicContact CB-CG2 3.83Å; R230-T320 PolarHBondContact N-OG1 2.66Å
231	R	89.5	Confident	87.8	Confident	21 Å²	21	44.2 Å²	44.2	8%	0.079	22%	0.218	C	C	.	.			trans	-121.1	-118.6	-173.5	-60.6	-59.2	-66.8	167.5	-1.6	110.4	L229 D233 F234 I235 P243 D269 A270 E274	L229-R231 HydrophobicContact CD2-CG 4.36Å; L229-R231 HydrophobicContact CG-CG 4.15Å; R231-D233 PolarHBondContact O-N 3.25Å; R231-F234 WeakPolarHBondContact O-CA 3.38Å; R231-F234 WeakPolarHBondContact O-CB 3.17Å; R231-F234 PolarHBondContact O-N 2.99Å; R231-I235 HydrophobicContact CB-CD1 3.96Å; R231-I235 HydrophobicContact CB-CG1 4.47Å; R231-I235 VanDerWaalsContact CZ-CD1 3.4Å; R231-I235 PolarHBondContact O-N 3.47Å; R231-I235 VanDerWaalsContact O-N 3.12Å; R231-P243 PolarHBondContact NH1-O 3.27Å; R231-D269 PolarHBondContact N-OD1 3.49Å; R231-A270 HydrophobicContact CB-CB 4.41Å; R231-A270 HydrophobicContact CG-CB 4.02Å; R231-E274 VanDerWaalsContact CB-OE2 3.3Å; R231-E274 WeakPolarHBondContact CB-OE2 3.49Å; R231-E274 IonicContact CZ-OE1 3.39Å; R231-E274 VanDerWaalsContact CZ-OE1 3.28Å; R231-E274 IonicContact NE-OE1 3.78Å; R231-E274 PolarHBondContact NE-OE1 3.28Å; R231-E274 IonicContact NE-OE2 2.92Å; R231-E274 PolarHBondContact NE-OE2 3.47Å; R231-E274 IonicContact NH2-OE1 2.91Å; R231-E274 PolarHBondContact NH2-OE1 3Å
232	K	83.6	Confident	87.3	Confident	64 Å²	64	44.6 Å²	44.6	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	29.9	-123.9	176.1	-69.4	-173.1	162.8	137.7	0	115.4	Q29 F234 I235 D269	Q29-K232 VanDerWaalsContact CD-NZ 3.26Å; K232-F234 PolarHBondContact O-N 3.44Å; K232-I235 PolarHBondContact O-N 2.97Å; K232-D269 WeakPolarHBondContact CB-OD2 3.41Å; K232-D269 HydrophobicContact CD-CB 4.41Å; K232-D269 WeakPolarHBondContact CD-O 3.01Å; K232-D269 WeakPolarHBondContact CE-O 3.34Å; K232-D269 WeakPolarHBondContact CG-O 3.38Å; K232-D269 PolarHBondContact NZ-O 3.19Å
233	D	71.1	Confident	87.1	Confident	83 Å²	83	44.8 Å²	44.8	44%	0.444	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-32.9	-178.4	62.1	-47	0	0	0	111.8	H27 R230 R231 I235 W236	H27-D233 IonicContact CD2-OD2 3.89Å; H27-D233 IonicContact NE2-OD2 2.69Å; R230-D233 IonicContact CZ-OD1 3.72Å; R230-D233 IonicContact NH2-OD1 3.63Å; R230-D233 PolarHBondContact NH2-OD1 3.28Å; R231-D233 PolarHBondContact O-N 3.25Å; D233-I235 VanDerWaalsContact C-N 3.3Å; D233-I235 PolarHBondContact O-N 2.91Å; D233-W236 PolarHBondContact O-N 3.21Å; D233-W236 VanDerWaalsContact O-N 3.13Å
234	F	74.8	Confident	86.9	Confident	28 Å²	28	44.8 Å²	44.8	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-37.3	-177.9	-153	-103.2	0	0	0	112.7	R230 R231 K232 W236 G237 H238 V242 T320 S321 V322	R230-F234 HydrophobicContact CB-CB 4.5Å; R230-F234 HydrophobicContact CB-CD1 4.18Å; R230-F234 HydrophobicContact CB-CG 4.32Å; R230-F234 HydrophobicContact CG-CB 3.53Å; R230-F234 HydrophobicContact CG-CD1 3.89Å; R230-F234 HydrophobicContact CG-CD2 3.99Å; R230-F234 HydrophobicContact CG-CG 3.53Å; R231-F234 WeakPolarHBondContact O-CA 3.38Å; R231-F234 WeakPolarHBondContact O-CB 3.17Å; R231-F234 PolarHBondContact O-N 2.99Å; K232-F234 PolarHBondContact O-N 3.44Å; F234-W236 PolarHBondContact O-N 3.49Å; F234-G237 PolarHBondContact O-N 3.06Å; F234-H238 HydrophobicContact CD1-CB 3.98Å; F234-H238 AromaticContact CD2-CD2 3.78Å; F234-H238 HydrophobicContact CE1-CB 3.82Å; F234-H238 AromaticContact CE1-CD2 3.75Å; F234-H238 AromaticContact CE1-CG 3.74Å; F234-H238 AromaticContact CE2-CD2 3.52Å; F234-H238 AromaticContact CE2-NE2 3.78Å; F234-H238 HydrophobicContact CZ-CB 4.4Å; F234-H238 AromaticContact CZ-CD2 3.49Å; F234-H238 VanDerWaalsContact CZ-CD2 3.49Å; F234-H238 WeakPolarHBondContact CZ-CD2 3.39Å; F234-H238 AromaticContact CZ-CG 3.82Å; F234-H238 AromaticContact CZ-NE2 3.86Å; F234-H238 VanDerWaalsContact O-CB 3.28Å; F234-H238 WeakPolarHBondContact O-CB 3.25Å; F234-H238 PolarHBondContact O-N 3.32Å; F234-V242 HydrophobicContact CD1-CG2 3.87Å; F234-V242 HydrophobicContact CE1-CG2 3.87Å; F234-T320 HydrophobicContact CD1-CG2 4.07Å; F234-T320 HydrophobicContact CE1-CG2 3.76Å; F234-S321 WeakPolarHBondContact CE1-O 3.02Å; F234-S321 WeakPolarHBondContact CZ-O 3.25Å; F234-V322 HydrophobicContact CE2-CG2 4.48Å; F234-V322 HydrophobicContact CZ-CG2 3.7Å
235	I	76.3	Confident	86.8	Confident	37 Å²	37	45.2 Å²	45.2	19%	0.19	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-39.9	178.2	-63.3	162.7	0	0	0	110.7	R231 K232 D233 G237 H238 R239	R231-I235 HydrophobicContact CB-CD1 3.96Å; R231-I235 HydrophobicContact CB-CG1 4.47Å; R231-I235 VanDerWaalsContact CZ-CD1 3.4Å; R231-I235 PolarHBondContact O-N 3.47Å; R231-I235 VanDerWaalsContact O-N 3.12Å; K232-I235 PolarHBondContact O-N 2.97Å; D233-I235 VanDerWaalsContact C-N 3.3Å; D233-I235 PolarHBondContact O-N 2.91Å; I235-G237 PolarHBondContact O-N 3.1Å; I235-H238 PolarHBondContact O-N 3Å; I235-R239 HydrophobicContact CG2-CG 4.43Å; I235-R239 WeakPolarHBondContact O-CG 3.41Å; I235-R239 PolarHBondContact O-N 3.05Å; I235-R239 VanDerWaalsContact O-N 3.17Å
236	W	71.8	Confident	86.6	Confident	190 Å²	190	51.7 Å²	51.7	72%	0.72	25%	0.253	S	S	*	.	H	α-helix	trans	-69.5	-34.3	-174.9	-61.3	91.5	0	0	0	112.6	D233 F234	D233-W236 PolarHBondContact O-N 3.21Å; D233-W236 VanDerWaalsContact O-N 3.13Å; F234-W236 PolarHBondContact O-N 3.49Å
237	G	73.8	Confident	86.5	Confident	62 Å²	62	52.6 Å²	52.6	64%	0.639	26%	0.263	S	S	*	.	H	α-helix	trans	-84.8	-20.3	176.2	0	0	0	0	0	114.9	F234 I235	F234-G237 PolarHBondContact O-N 3.06Å; I235-G237 PolarHBondContact O-N 3.1Å
238	H	77.6	Confident	86.4	Confident	59 Å²	59	52.6 Å²	52.6	27%	0.273	26%	0.263	S	S	.	.			trans	-134.2	38.6	-167.1	-67.1	-77.1	0	0	0	112.8	F234 I235 D240 D241 V242 V322	F234-H238 HydrophobicContact CD1-CB 3.98Å; F234-H238 AromaticContact CD2-CD2 3.78Å; F234-H238 HydrophobicContact CE1-CB 3.82Å; F234-H238 AromaticContact CE1-CD2 3.75Å; F234-H238 AromaticContact CE1-CG 3.74Å; F234-H238 AromaticContact CE2-CD2 3.52Å; F234-H238 AromaticContact CE2-NE2 3.78Å; F234-H238 HydrophobicContact CZ-CB 4.4Å; F234-H238 AromaticContact CZ-CD2 3.49Å; F234-H238 VanDerWaalsContact CZ-CD2 3.49Å; F234-H238 WeakPolarHBondContact CZ-CD2 3.39Å; F234-H238 AromaticContact CZ-CG 3.82Å; F234-H238 AromaticContact CZ-NE2 3.86Å; F234-H238 VanDerWaalsContact O-CB 3.28Å; F234-H238 WeakPolarHBondContact O-CB 3.25Å; F234-H238 PolarHBondContact O-N 3.32Å; I235-H238 PolarHBondContact O-N 3Å; H238-D240 PolarHBondContact O-N 2.84Å; H238-D241 VanDerWaalsContact C-OD1 3.3Å; H238-D241 VanDerWaalsContact CA-OD1 3.27Å; H238-D241 WeakPolarHBondContact CA-OD1 3.47Å; H238-D241 WeakPolarHBondContact CB-OD1 3.4Å; H238-D241 IonicContact CG-OD1 3Å; H238-D241 IonicContact ND1-OD1 3.58Å; H238-D241 IonicContact ND1-OD2 3.47Å; H238-D241 PolarHBondContact O-N 3.11Å; H238-V242 HydrophobicContact CB-CG2 3.8Å; H238-V242 WeakPolarHBondContact O-CB 3.3Å; H238-V242 VanDerWaalsContact O-CG2 3.25Å; H238-V242 WeakPolarHBondContact O-CG2 3.44Å; H238-V242 PolarHBondContact O-N 2.95Å; H238-V322 WeakPolarHBondContact CE1-CG2 3.37Å
239	R	76.9	Confident	86.4	Confident	146 Å²	146	52.7 Å²	52.7	55%	0.551	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.3	-176	-69.1	-172.6	170.3	-169.5	-9.1	113.6	I235	I235-R239 HydrophobicContact CG2-CG 4.43Å; I235-R239 WeakPolarHBondContact O-CG 3.41Å; I235-R239 PolarHBondContact O-N 3.05Å; I235-R239 VanDerWaalsContact O-N 3.17Å
240	D	84.4	Confident	86.5	Confident	139 Å²	139	60.6 Å²	60.6	74%	0.743	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-20.3	-170.3	-66.4	-27.2	0	0	0	113.1	H238 G349	H238-D240 PolarHBondContact O-N 2.84Å; D240-G349 WeakPolarHBondContact O-CA 3.36Å
241	D	84.2	Confident	86.7	Confident	28 Å²	28	63.5 Å²	63.5	15%	0.15	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	5.5	-176.4	65.3	-36.1	0	0	0	113.8	H238 S321 R346	H238-D241 VanDerWaalsContact C-OD1 3.3Å; H238-D241 VanDerWaalsContact CA-OD1 3.27Å; H238-D241 WeakPolarHBondContact CA-OD1 3.47Å; H238-D241 WeakPolarHBondContact CB-OD1 3.4Å; H238-D241 IonicContact CG-OD1 3Å; H238-D241 IonicContact ND1-OD1 3.58Å; H238-D241 IonicContact ND1-OD2 3.47Å; H238-D241 PolarHBondContact O-N 3.11Å; D241-S321 WeakPolarHBondContact OD2-CB 3.4Å; D241-S321 PolarHBondContact OD2-OG 3.47Å; D241-R346 PolarHBondContact O-NH1 3.14Å
242	V	89.4	Confident	87.1	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.048	31%	0.308	C	S	.	.	S	Bend	trans	-116	135.5	173.3	-179.6	0	0	0	0	110.1	F234 H238 T320	F234-V242 HydrophobicContact CD1-CG2 3.87Å; F234-V242 HydrophobicContact CE1-CG2 3.87Å; H238-V242 HydrophobicContact CB-CG2 3.8Å; H238-V242 WeakPolarHBondContact O-CB 3.3Å; H238-V242 VanDerWaalsContact O-CG2 3.25Å; H238-V242 WeakPolarHBondContact O-CG2 3.44Å; H238-V242 PolarHBondContact O-N 2.95Å; V242-T320 HydrophobicContact CG1-CG2 4.45Å; V242-T320 HydrophobicContact CG2-CG2 3.92Å
243	P	93.4	Very high	87.8	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.026	32%	0.315	C	S	.	.			trans	-72.4	161.8	-177.7	32.6	-40.9	0	0	0	112.9	L229 R231 A248 F347 C348 D350	L229-P243 HydrophobicContact CD1-CG 4.16Å; R231-P243 PolarHBondContact NH1-O 3.27Å; P243-A248 HydrophobicContact CB-CB 4.25Å; P243-A248 HydrophobicContact CG-CB 3.88Å; P243-F347 HydrophobicContact CB-CB 4.42Å; P243-F347 VanDerWaalsContact CD-CB 3.47Å; P243-F347 HydrophobicContact CG-CB 3.54Å; P243-F347 HydrophobicContact CG-CD1 4.14Å; P243-F347 HydrophobicContact CG-CG 3.86Å; P243-C348 WeakPolarHBondContact CB-O 3.49Å; P243-D350 WeakPolarHBondContact CA-OD1 3.37Å
244	S	94.6	Very high	89	Confident	43 Å²	43	64.1 Å²	64.1	30%	0.301	32%	0.317	S	S	.	.			trans	-68.8	164.9	159.4	72.1	0	0	0	0	110.9	K246 G247 A248 D350	S244-K246 PolarHBondContact O-N 2.8Å; S244-G247 PolarHBondContact O-N 2.92Å; S244-G247 VanDerWaalsContact O-N 3.14Å; S244-G247 PolarHBondContact OG-N 2.78Å; S244-A248 WeakPolarHBondContact O-CB 3.46Å; S244-A248 PolarHBondContact O-N 3.23Å; S244-D350 WeakPolarHBondContact CB-OD2 3.14Å; S244-D350 PolarHBondContact N-OD1 3.39Å; S244-D350 PolarHBondContact OG-OD2 3.32Å
245	L	95.4	Very high	90.1	Very high	9 Å²	9	63.1 Å²	63.1	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-37.3	174.5	-64.6	-179.7	0	0	0	112.1	L229 A249 E274 E277 L278 L281	L229-L245 HydrophobicContact CD2-CD2 4.15Å; L245-A249 VanDerWaalsContact O-CB 3.29Å; L245-A249 WeakPolarHBondContact O-CB 3.44Å; L245-A249 PolarHBondContact O-N 2.92Å; L245-E274 HydrophobicContact CD1-CB 4.01Å; L245-E274 HydrophobicContact CD1-CG 4.14Å; L245-E277 HydrophobicContact CD1-CB 4.04Å; L245-E277 HydrophobicContact CD1-CG 4.08Å; L245-L278 HydrophobicContact CD2-CD1 4.43Å; L245-L281 HydrophobicContact CB-CD1 4.09Å
246	K	96.2	Very high	91.2	Very high	135 Å²	135	62.3 Å²	62.3	59%	0.587	31%	0.308	S	S	*	.	H	α-helix	trans	-67.8	-42.9	175.3	-67.8	178.3	-176.5	171.2	0	111.6	S244 A249 K250 L281	S244-K246 PolarHBondContact O-N 2.8Å; K246-A249 PolarHBondContact O-N 3.14Å; K246-K250 WeakPolarHBondContact O-CB 3.28Å; K246-K250 PolarHBondContact O-N 3.48Å; K246-L281 HydrophobicContact CG-CD1 4.01Å; K246-L281 HydrophobicContact CG-CD2 4.37Å
247	G	96.4	Very high	92.4	Very high	20 Å²	20	62 Å²	62	21%	0.206	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-48.1	174.8	0	0	0	0	0	111.9	S244 K250 K251	S244-G247 PolarHBondContact O-N 2.92Å; S244-G247 VanDerWaalsContact O-N 3.14Å; S244-G247 PolarHBondContact OG-N 2.78Å; G247-K250 PolarHBondContact O-N 3.17Å; G247-K251 WeakPolarHBondContact O-CB 3.35Å; G247-K251 PolarHBondContact O-N 3.3Å
248	A	97.2	Very high	93.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-51	176	0	0	0	0	0	111.2	L229 P243 S244 K250 K251 I252 F347	L229-A248 HydrophobicContact CD1-CB 4.23Å; L229-A248 HydrophobicContact CD2-CB 4.31Å; P243-A248 HydrophobicContact CB-CB 4.25Å; P243-A248 HydrophobicContact CG-CB 3.88Å; S244-A248 WeakPolarHBondContact O-CB 3.46Å; S244-A248 PolarHBondContact O-N 3.23Å; A248-K250 VanDerWaalsContact C-N 3.35Å; A248-K250 PolarHBondContact O-N 3.41Å; A248-K251 PolarHBondContact O-N 3.1Å; A248-K251 VanDerWaalsContact O-N 3.15Å; A248-I252 WeakPolarHBondContact O-CB 3.41Å; A248-I252 VanDerWaalsContact O-CG1 3.25Å; A248-I252 WeakPolarHBondContact O-CG1 3.43Å; A248-I252 PolarHBondContact O-N 3.31Å; A248-F347 HydrophobicContact CB-CE1 4.32Å
249	A	97.8	Very high	94.5	Very high	5 Å²	5	66.1 Å²	66.1	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-42.3	178.9	0	0	0	0	0	112.7	L245 K246 I252 R253 L281 L282	L245-A249 VanDerWaalsContact O-CB 3.29Å; L245-A249 WeakPolarHBondContact O-CB 3.44Å; L245-A249 PolarHBondContact O-N 2.92Å; K246-A249 PolarHBondContact O-N 3.14Å; A249-I252 PolarHBondContact O-N 3.14Å; A249-R253 WeakPolarHBondContact O-CG 3.45Å; A249-R253 PolarHBondContact O-N 2.96Å; A249-L281 HydrophobicContact CB-CB 3.77Å; A249-L281 HydrophobicContact CB-CD1 4.32Å; A249-L282 HydrophobicContact CB-CD1 4.13Å; A249-L282 HydrophobicContact CB-CD2 4.08Å; A249-L282 HydrophobicContact CB-CG 3.83Å
250	K	97.7	Very high	95.5	Very high	167 Å²	167	68.2 Å²	68.2	73%	0.726	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-45.1	174.9	-176.9	-179.5	178	-177.6	0	111.4	K246 G247 A248 S254	K246-K250 WeakPolarHBondContact O-CB 3.28Å; K246-K250 PolarHBondContact O-N 3.48Å; G247-K250 PolarHBondContact O-N 3.17Å; A248-K250 VanDerWaalsContact C-N 3.35Å; A248-K250 PolarHBondContact O-N 3.41Å; K250-S254 WeakPolarHBondContact O-CB 3.44Å; K250-S254 PolarHBondContact O-N 3.44Å
251	K	97.8	Very high	96.1	Very high	85 Å²	85	62.1 Å²	62.1	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-44.3	178	180	60.1	174.3	-177.2	0	111.5	G247 A248 S254 M255 I318 F347	G247-K251 WeakPolarHBondContact O-CB 3.35Å; G247-K251 PolarHBondContact O-N 3.3Å; A248-K251 PolarHBondContact O-N 3.1Å; A248-K251 VanDerWaalsContact O-N 3.15Å; K251-S254 WeakPolarHBondContact O-CB 3.37Å; K251-S254 PolarHBondContact O-N 3.01Å; K251-M255 HydrophobicContact CD-CG 4.19Å; K251-M255 HydrophobicContact CG-CG 4.5Å; K251-M255 WeakPolarHBondContact O-CG 3.5Å; K251-M255 PolarHBondContact O-N 3.41Å; K251-I318 HydrophobicContact CG-CD1 4.05Å; K251-F347 HydrophobicContact CB-CD1 4.03Å; K251-F347 HydrophobicContact CB-CE1 3.97Å; K251-F347 HydrophobicContact CG-CD1 3.79Å; K251-F347 HydrophobicContact CG-CE1 3.82Å
252	I	98.3	Very high	96.7	Very high	1 Å²	1	69 Å²	69	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-56.4	-53.2	176.6	-73.9	164.4	0	0	0	110.4	L225 V227 A248 A249 S254 M255 M256 V264 L282 F347	L225-I252 HydrophobicContact CD2-CB 4.49Å; L225-I252 HydrophobicContact CD2-CG2 4.01Å; V227-I252 HydrophobicContact CG1-CD1 4.05Å; V227-I252 HydrophobicContact CG2-CD1 4.07Å; V227-I252 HydrophobicContact CG2-CG1 3.91Å; A248-I252 WeakPolarHBondContact O-CB 3.41Å; A248-I252 VanDerWaalsContact O-CG1 3.25Å; A248-I252 WeakPolarHBondContact O-CG1 3.43Å; A248-I252 PolarHBondContact O-N 3.31Å; A249-I252 PolarHBondContact O-N 3.14Å; I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 2.95Å; I252-M255 PolarHBondContact O-N 2.9Å; I252-M255 VanDerWaalsContact O-N 3.11Å; I252-M256 HydrophobicContact CG2-CG 4.42Å; I252-M256 HydrophobicContact CG2-SD 3.85Å; I252-M256 WeakPolarHBondContact O-CG 3.37Å; I252-M256 PolarHBondContact O-N 2.99Å; I252-V264 HydrophobicContact CG2-CB 4.31Å; I252-V264 HydrophobicContact CG2-CG1 4.25Å; I252-V264 HydrophobicContact CG2-CG2 3.91Å; I252-L282 HydrophobicContact CB-CD1 4.22Å; I252-L282 HydrophobicContact CB-CD2 4.35Å; I252-L282 HydrophobicContact CD1-CD1 3.54Å; I252-L282 HydrophobicContact CG1-CD1 4.47Å; I252-L282 HydrophobicContact CG2-CD1 3.95Å; I252-L282 HydrophobicContact CG2-CD2 3.88Å; I252-F347 HydrophobicContact CD1-CE1 4.37Å; I252-F347 HydrophobicContact CD1-CZ 4.03Å; I252-F347 HydrophobicContact CG1-CE1 3.93Å; I252-F347 HydrophobicContact CG1-CZ 3.82Å
253	R	97.9	Very high	97	Very high	113 Å²	113	70.6 Å²	70.6	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-40.2	178	-70.7	-176.4	-178.9	-82	2.8	112.6	A249 K257 L281 L282	A249-R253 WeakPolarHBondContact O-CG 3.45Å; A249-R253 PolarHBondContact O-N 2.96Å; R253-K257 WeakPolarHBondContact O-CB 3.31Å; R253-K257 PolarHBondContact O-N 3.16Å; R253-L281 PolarHBondContact NE-O 3.03Å; R253-L281 PolarHBondContact NH2-O 2.91Å; R253-L282 HydrophobicContact CG-CD2 3.84Å
254	S	97.8	Very high	97.3	Very high	68 Å²	68	70.5 Å²	70.5	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-43.8	175.8	177.3	0	0	0	0	112	K250 K251 I252 K257 K258	K250-S254 WeakPolarHBondContact O-CB 3.44Å; K250-S254 PolarHBondContact O-N 3.44Å; K251-S254 WeakPolarHBondContact O-CB 3.37Å; K251-S254 PolarHBondContact O-N 3.01Å; I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 2.95Å; S254-K257 PolarHBondContact O-N 3Å; S254-K258 WeakPolarHBondContact O-CB 3.5Å; S254-K258 PolarHBondContact O-N 3.41Å
255	M	97.8	Very high	97.5	Very high	7 Å²	7	68.4 Å²	68.4	3%	0.034	32%	0.318	C	S	.	.	H	α-helix	trans	-68.6	-42.7	178.5	-67.8	-53.8	-67.8	0	0	112.1	L225 K251 I252 K257 K258 H259 F316	L225-M255 HydrophobicContact CD1-CB 4.38Å; L225-M255 HydrophobicContact CD2-CB 4.1Å; K251-M255 HydrophobicContact CD-CG 4.19Å; K251-M255 HydrophobicContact CG-CG 4.5Å; K251-M255 WeakPolarHBondContact O-CG 3.5Å; K251-M255 PolarHBondContact O-N 3.41Å; I252-M255 PolarHBondContact O-N 2.9Å; I252-M255 VanDerWaalsContact O-N 3.11Å; M255-K257 VanDerWaalsContact C-N 3.34Å; M255-K257 PolarHBondContact O-N 3.45Å; M255-K258 PolarHBondContact O-N 3.15Å; M255-K258 HydrophobicContact SD-CD 4.45Å; M255-H259 WeakPolarHBondContact CE-NE2 3.32Å; M255-H259 PolarHBondContact O-CD2 2.66Å; M255-H259 PolarHBondContact O-N 3.25Å; M255-F316 HydrophobicContact CE-CD1 3.8Å; M255-F316 HydrophobicContact CE-CD2 4.39Å; M255-F316 HydrophobicContact CE-CE1 3.21Å; M255-F316 HydrophobicContact CE-CE2 3.87Å; M255-F316 HydrophobicContact CE-CG 4.36Å; M255-F316 HydrophobicContact CE-CZ 3.24Å
256	M	97.8	Very high	97.6	Very high	19 Å²	19	68 Å²	68	9%	0.094	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-48	173.5	-71.3	177.2	77.8	0	0	111.3	L225 I252 H259 K260 L261 Q262 V264	L225-M256 HydrophobicContact CB-CG 4.21Å; L225-M256 HydrophobicContact CD2-CG 3.75Å; I252-M256 HydrophobicContact CG2-CG 4.42Å; I252-M256 HydrophobicContact CG2-SD 3.85Å; I252-M256 WeakPolarHBondContact O-CG 3.37Å; I252-M256 PolarHBondContact O-N 2.99Å; M256-H259 PolarHBondContact O-N 3.5Å; M256-K260 WeakPolarHBondContact O-CA 3.5Å; M256-K260 PolarHBondContact O-N 2.95Å; M256-L261 WeakPolarHBondContact CB-O 3.33Å; M256-L261 PolarHBondContact O-N 3.44Å; M256-Q262 WeakPolarHBondContact CE-O 3.47Å; M256-V264 HydrophobicContact CE-CB 4.21Å; M256-V264 HydrophobicContact CE-CG1 4.36Å; M256-V264 HydrophobicContact SD-CB 3.85Å; M256-V264 HydrophobicContact SD-CG1 3.98Å
257	K	97.9	Very high	97.7	Very high	183 Å²	183	61.6 Å²	61.6	80%	0.796	29%	0.288	S	S	*	.	H	α-helix	trans	-61.4	-46.5	175.7	-174.4	178	-179.1	178.8	0	112.3	R253 S254 M255 H259 K260	R253-K257 WeakPolarHBondContact O-CB 3.31Å; R253-K257 PolarHBondContact O-N 3.16Å; S254-K257 PolarHBondContact O-N 3Å; M255-K257 VanDerWaalsContact C-N 3.34Å; M255-K257 PolarHBondContact O-N 3.45Å; K257-H259 VanDerWaalsContact C-N 3.32Å; K257-H259 PolarHBondContact O-N 3.06Å; K257-K260 PolarHBondContact O-N 2.92Å
258	K	98.1	Very high	97.7	Very high	150 Å²	150	61.3 Å²	61.3	65%	0.652	28%	0.283	S	S	*	.	H	α-helix	trans	-60.4	-41.2	-179	-179.3	-179.3	175.9	-174.4	0	112.1	S254 M255	S254-K258 WeakPolarHBondContact O-CB 3.5Å; S254-K258 PolarHBondContact O-N 3.41Å; M255-K258 PolarHBondContact O-N 3.15Å; M255-K258 HydrophobicContact SD-CD 4.45Å
259	H	97.3	Very high	97.6	Very high	58 Å²	58	62.1 Å²	62.1	27%	0.269	29%	0.287	S	S	.	.	H	α-helix	trans	-98.4	6	-175.9	-67.3	-82.1	0	0	0	113.7	M255 M256 K257 L261 F316	M255-H259 WeakPolarHBondContact CE-NE2 3.32Å; M255-H259 PolarHBondContact O-CD2 2.66Å; M255-H259 PolarHBondContact O-N 3.25Å; M256-H259 PolarHBondContact O-N 3.5Å; K257-H259 VanDerWaalsContact C-N 3.32Å; K257-H259 PolarHBondContact O-N 3.06Å; H259-L261 VanDerWaalsContact C-N 3.31Å; H259-L261 HydrophobicContact CB-CD1 3.78Å; H259-L261 HydrophobicContact CB-CG 4Å; H259-L261 PolarHBondContact O-N 3.2Å; H259-F316 AromaticContact CD2-CD2 3.93Å; H259-F316 AromaticContact CE1-CD2 3.41Å; H259-F316 VanDerWaalsContact CE1-CD2 3.41Å; H259-F316 WeakPolarHBondContact CE1-CD2 3.45Å; H259-F316 AromaticContact CE1-CE2 3.52Å; H259-F316 AromaticContact ND1-CD2 3.79Å; H259-F316 AromaticContact NE2-CD2 3.53Å; H259-F316 AromaticContact NE2-CE2 3.45Å; H259-F316 WeakPolarHBondContact NE2-CE2 3.3Å
260	K	97.8	Very high	97.3	Very high	191 Å²	191	62.1 Å²	62.1	83%	0.83	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	43.7	-179.5	-53.8	179.2	-177.9	179.3	0	112.7	M256 K257	M256-K260 WeakPolarHBondContact O-CA 3.5Å; M256-K260 PolarHBondContact O-N 2.95Å; K257-K260 PolarHBondContact O-N 2.92Å
261	L	97.5	Very high	97	Very high	11 Å²	11	57.6 Å²	57.6	6%	0.058	27%	0.271	C	S	.	.			trans	-103.6	139.1	178.6	-59.4	167.6	0	0	0	109.4	L225 M256 H259 R315 F316	L225-L261 HydrophobicContact CB-CD1 3.9Å; M256-L261 WeakPolarHBondContact CB-O 3.33Å; M256-L261 PolarHBondContact O-N 3.44Å; H259-L261 VanDerWaalsContact C-N 3.31Å; H259-L261 HydrophobicContact CB-CD1 3.78Å; H259-L261 HydrophobicContact CB-CG 4Å; H259-L261 PolarHBondContact O-N 3.2Å; L261-R315 HydrophobicContact CD2-CB 4.22Å; L261-F316 HydrophobicContact CD1-CB 4.31Å
262	Q	95.7	Very high	96.7	Very high	172 Å²	172	55.5 Å²	55.5	80%	0.804	27%	0.273	S	S	*	.			trans	-105.6	-24.4	180	-66.3	-179.6	-9.6	0	0	112.7	M256	M256-Q262 WeakPolarHBondContact CE-O 3.47Å
263	T	97.3	Very high	96.5	Very high	42 Å²	42	62.2 Å²	62.2	26%	0.258	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.6	-179.6	-50.3	0	0	0	0	110.6	L194 Y224 L225 V286	L194-T263 HydrophobicContact CD2-CG2 3.69Å; Y224-T263 VanDerWaalsContact CA-O 3.29Å; Y224-T263 WeakPolarHBondContact CA-O 3.45Å; L225-T263 PolarHBondContact N-O 3.47Å; T263-V286 HydrophobicContact CG2-CG2 3.83Å
264	V	98.4	Very high	96.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.8	170.9	59.6	0	0	0	0	109.9	L225 V227 I252 M256 V266 M285 V286	L225-V264 HydrophobicContact CB-CB 4.33Å; L225-V264 HydrophobicContact CB-CG2 4.14Å; L225-V264 HydrophobicContact CD2-CG2 4.04Å; L225-V264 HydrophobicContact CG-CG2 4.18Å; L225-V264 CarbonylContact O-C 3.56Å; L225-V264 WeakPolarHBondContact O-CA 3.47Å; V227-V264 HydrophobicContact CB-CG2 4.39Å; V227-V264 HydrophobicContact CG2-CG2 3.58Å; I252-V264 HydrophobicContact CG2-CB 4.31Å; I252-V264 HydrophobicContact CG2-CG1 4.25Å; I252-V264 HydrophobicContact CG2-CG2 3.91Å; M256-V264 HydrophobicContact CE-CB 4.21Å; M256-V264 HydrophobicContact CE-CG1 4.36Å; M256-V264 HydrophobicContact SD-CB 3.85Å; M256-V264 HydrophobicContact SD-CG1 3.98Å; V264-V266 HydrophobicContact CG2-CG2 4Å; V264-M285 HydrophobicContact CG1-CB 4.08Å; V264-V286 PolarHBondContact O-N 2.84Å
265	F	98.8	Very high	96.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.9	169.5	178.5	-96.8	0	0	0	109.6	F189 L194 Y224 L225 V227 A267 V286 F288 D307 I310	F189-F265 HydrophobicContact CD1-CE2 4.32Å; F189-F265 AromaticContact CE1-CD2 3.72Å; F189-F265 HydrophobicContact CE1-CD2 3.72Å; F189-F265 AromaticContact CE1-CE2 3.58Å; F189-F265 HydrophobicContact CE1-CE2 3.58Å; F189-F265 HydrophobicContact CZ-CD2 4.29Å; F189-F265 AromaticContact CZ-CE2 3.98Å; F189-F265 HydrophobicContact CZ-CE2 3.98Å; L194-F265 HydrophobicContact CD1-CB 4.29Å; L194-F265 HydrophobicContact CD1-CD2 4.29Å; L194-F265 HydrophobicContact CD1-CG 4.46Å; L194-F265 HydrophobicContact CD2-CB 4.39Å; Y224-F265 HydrophobicContact CD2-CB 3.8Å; Y224-F265 HydrophobicContact CE2-CB 4.04Å; L225-F265 PolarHBondContact O-N 3.3Å; V227-F265 PolarHBondContact N-O 2.78Å; F265-A267 HydrophobicContact CE1-CB 4.24Å; F265-V286 WeakPolarHBondContact CA-O 3.31Å; F265-F288 HydrophobicContact CE2-CB 4.14Å; F265-F288 HydrophobicContact CZ-CB 4.19Å; F265-D307 VanDerWaalsContact CZ-OD1 3.28Å; F265-D307 WeakPolarHBondContact CZ-OD1 3.45Å; F265-I310 HydrophobicContact CB-CG2 4.34Å; F265-I310 HydrophobicContact CD1-CB 4.17Å; F265-I310 HydrophobicContact CD1-CG2 3.57Å; F265-I310 HydrophobicContact CD2-CG2 3.67Å; F265-I310 HydrophobicContact CE1-CB 3.76Å; F265-I310 HydrophobicContact CE1-CD1 4.5Å; F265-I310 HydrophobicContact CE1-CG2 3.63Å; F265-I310 HydrophobicContact CE2-CB 4.25Å; F265-I310 HydrophobicContact CE2-CD1 3.82Å; F265-I310 HydrophobicContact CE2-CG2 3.71Å; F265-I310 HydrophobicContact CG-CG2 3.57Å; F265-I310 HydrophobicContact CZ-CB 3.79Å; F265-I310 HydrophobicContact CZ-CD1 3.67Å; F265-I310 HydrophobicContact CZ-CG1 4.35Å; F265-I310 HydrophobicContact CZ-CG2 3.69Å
266	V	98.7	Very high	96.1	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.5	-176	-175.4	0	0	0	0	111.2	V227 V264 T268 L278 M285 V286 R287	V227-V266 HydrophobicContact CB-CG2 4.32Å; V227-V266 HydrophobicContact CG1-CG1 4.37Å; V264-V266 HydrophobicContact CG2-CG2 4Å; V266-T268 HydrophobicContact CG1-CG2 3.92Å; V266-L278 HydrophobicContact CG1-CD2 4.19Å; V266-M285 HydrophobicContact CG2-CB 4.01Å; V266-V286 PolarHBondContact N-O 3.36Å; V266-R287 HydrophobicContact CB-CG 4.29Å; V266-R287 WeakPolarHBondContact O-CG 3.26Å
267	A	98.4	Very high	96	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.8	163.4	0	0	0	0	0	109	V227 H228 L229 F265 D307 F325	V227-A267 PolarHBondContact O-N 2.81Å; H228-A267 WeakPolarHBondContact CA-O 3.4Å; L229-A267 PolarHBondContact N-O 3.22Å; F265-A267 HydrophobicContact CE1-CB 4.24Å; A267-D307 HydrophobicContact CB-CB 3.8Å; A267-F325 HydrophobicContact CB-CE1 4.21Å; A267-F325 HydrophobicContact CB-CZ 4.49Å
268	T	96.6	Very high	95.9	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.086	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	144.1	-176.3	179.5	0	0	0	0	111.3	L229 V266 A270 L275	L229-T268 WeakPolarHBondContact O-CA 3.42Å; L229-T268 WeakPolarHBondContact O-CB 3.46Å; L229-T268 PolarHBondContact O-OG1 3.21Å; V266-T268 HydrophobicContact CG1-CG2 3.92Å; T268-A270 HydrophobicContact CG2-CB 4.2Å; T268-A270 VanDerWaalsContact OG1-CB 3.25Å; T268-A270 WeakPolarHBondContact OG1-CB 3.4Å; T268-A270 PolarHBondContact OG1-N 3.08Å; T268-A270 VanDerWaalsContact OG1-N 3.08Å; T268-L275 HydrophobicContact CG2-CD2 3.66Å
269	D	94	Very high	95.8	Very high	16 Å²	16	55.2 Å²	55.2	9%	0.086	27%	0.266	C	S	.	.			trans	-94.8	8	172	69.1	-37.9	0	0	0	112.9	R230 R231 K232	R230-D269 WeakPolarHBondContact CA-OD1 3.19Å; R230-D269 IonicContact CZ-OD2 3.59Å; R230-D269 IonicContact NE-OD2 2.81Å; R230-D269 PolarHBondContact NE-OD2 2.95Å; R230-D269 VanDerWaalsContact NH1-CG 3.34Å; R230-D269 IonicContact NH1-OD2 3.36Å; R230-D269 PolarHBondContact NH1-OD2 3.24Å; R230-D269 IonicContact NH2-OD2 3.54Å; R230-D269 PolarHBondContact NH2-OD2 3.11Å; R230-D269 VanDerWaalsContact NH2-OD2 3.11Å; R231-D269 PolarHBondContact N-OD1 3.49Å; K232-D269 WeakPolarHBondContact CB-OD2 3.41Å; K232-D269 HydrophobicContact CD-CB 4.41Å; K232-D269 WeakPolarHBondContact CD-O 3.01Å; K232-D269 WeakPolarHBondContact CE-O 3.34Å; K232-D269 WeakPolarHBondContact CG-O 3.38Å; K232-D269 PolarHBondContact NZ-O 3.19Å
270	A	92.8	Very high	95.8	Very high	6 Å²	6	60.9 Å²	60.9	5%	0.05	29%	0.285	C	S	.	.			trans	-46.9	142.8	174.9	0	0	0	0	0	112.5	R231 T268 E274 L275	R231-A270 HydrophobicContact CB-CB 4.41Å; R231-A270 HydrophobicContact CG-CB 4.02Å; T268-A270 HydrophobicContact CG2-CB 4.2Å; T268-A270 VanDerWaalsContact OG1-CB 3.25Å; T268-A270 WeakPolarHBondContact OG1-CB 3.4Å; T268-A270 PolarHBondContact OG1-N 3.08Å; T268-A270 VanDerWaalsContact OG1-N 3.08Å; A270-E274 HydrophobicContact CB-CB 3.93Å; A270-L275 HydrophobicContact CB-CD2 3.95Å; A270-L275 HydrophobicContact CB-CG 3.86Å; A270-L275 WeakPolarHBondContact O-CD1 3.28Å
271	D	91.1	Very high	95.8	Very high	71 Å²	71	53.7 Å²	53.7	38%	0.38	26%	0.255	S	S	.	.			trans	-75.7	176.5	175.3	67.6	40.8	0	0	0	112.5	E273 E274 L275	D271-E273 VanDerWaalsContact C-N 3.25Å; D271-E273 PolarHBondContact O-N 3.01Å; D271-E273 PolarHBondContact OD1-N 3.22Å; D271-E274 PolarHBondContact O-N 3.21Å; D271-E274 PolarHBondContact OD1-N 2.88Å; D271-L275 VanDerWaalsContact O-CB 3.25Å; D271-L275 WeakPolarHBondContact O-CB 3.31Å; D271-L275 WeakPolarHBondContact O-CG 3.14Å; D271-L275 PolarHBondContact O-N 3.12Å
272	G	90.9	Very high	95.7	Very high	41 Å²	41	53.3 Å²	53.3	42%	0.423	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-28.7	-176.5	0	0	0	0	0	114.6	R276	G272-R276 VanDerWaalsContact O-CG 3.3Å; G272-R276 WeakPolarHBondContact O-CG 3.35Å; G272-R276 PolarHBondContact O-N 3.02Å; G272-R276 PolarHBondContact O-NE 2.85Å; G272-R276 PolarHBondContact O-NH1 3Å; G272-R276 VanDerWaalsContact O-NH1 3.14Å
273	E	93.5	Very high	95.6	Very high	142 Å²	142	48.8 Å²	48.8	66%	0.664	24%	0.239	S	C	*	.	H	α-helix	trans	-78.1	-49.7	178.3	-173.1	176	176.7	0	0	111.1	D271 L275 R276 E277	D271-E273 VanDerWaalsContact C-N 3.25Å; D271-E273 PolarHBondContact O-N 3.01Å; D271-E273 PolarHBondContact OD1-N 3.22Å; E273-L275 VanDerWaalsContact C-N 3.25Å; E273-L275 PolarHBondContact O-N 3.37Å; E273-R276 PolarHBondContact O-N 3.09Å; E273-R276 VanDerWaalsContact O-N 3.15Å; E273-E277 PolarHBondContact O-N 3.25Å
274	E	93.9	Very high	95.2	Very high	31 Å²	31	51.2 Å²	51.2	15%	0.145	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-38.5	175.7	-73.4	-160.2	124.4	0	0	111.5	R231 L245 A270 D271 E277 L278	R231-E274 VanDerWaalsContact CB-OE2 3.3Å; R231-E274 WeakPolarHBondContact CB-OE2 3.49Å; R231-E274 IonicContact CZ-OE1 3.39Å; R231-E274 VanDerWaalsContact CZ-OE1 3.28Å; R231-E274 IonicContact NE-OE1 3.78Å; R231-E274 PolarHBondContact NE-OE1 3.28Å; R231-E274 IonicContact NE-OE2 2.92Å; R231-E274 PolarHBondContact NE-OE2 3.47Å; R231-E274 IonicContact NH2-OE1 2.91Å; R231-E274 PolarHBondContact NH2-OE1 3Å; L245-E274 HydrophobicContact CD1-CB 4.01Å; L245-E274 HydrophobicContact CD1-CG 4.14Å; A270-E274 HydrophobicContact CB-CB 3.93Å; D271-E274 PolarHBondContact O-N 3.21Å; D271-E274 PolarHBondContact OD1-N 2.88Å; E274-E277 PolarHBondContact O-N 3.47Å; E274-L278 WeakPolarHBondContact O-CB 3.38Å; E274-L278 PolarHBondContact O-N 3Å
275	L	94.7	Very high	95	Very high	29 Å²	29	51.5 Å²	51.5	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-41.6	176.1	-77.2	172.3	0	0	0	112.7	T268 A270 D271 E273 E277 L278 K279	T268-L275 HydrophobicContact CG2-CD2 3.66Å; A270-L275 HydrophobicContact CB-CD2 3.95Å; A270-L275 HydrophobicContact CB-CG 3.86Å; A270-L275 WeakPolarHBondContact O-CD1 3.28Å; D271-L275 VanDerWaalsContact O-CB 3.25Å; D271-L275 WeakPolarHBondContact O-CB 3.31Å; D271-L275 WeakPolarHBondContact O-CG 3.14Å; D271-L275 PolarHBondContact O-N 3.12Å; E273-L275 VanDerWaalsContact C-N 3.25Å; E273-L275 PolarHBondContact O-N 3.37Å; L275-E277 VanDerWaalsContact C-N 3.34Å; L275-L278 PolarHBondContact O-N 3.33Å; L275-K279 WeakPolarHBondContact O-CB 3.26Å; L275-K279 PolarHBondContact O-N 3.45Å
276	R	96.1	Very high	95	Very high	171 Å²	171	53.1 Å²	53.1	65%	0.645	26%	0.262	S	S	*	.	H	α-helix	trans	-63.1	-42.7	175.1	-77.6	-175.5	-59.4	-94.7	4	111	G272 E273 R280	G272-R276 VanDerWaalsContact O-CG 3.3Å; G272-R276 WeakPolarHBondContact O-CG 3.35Å; G272-R276 PolarHBondContact O-N 3.02Å; G272-R276 PolarHBondContact O-NE 2.85Å; G272-R276 PolarHBondContact O-NH1 3Å; G272-R276 VanDerWaalsContact O-NH1 3.14Å; E273-R276 PolarHBondContact O-N 3.09Å; E273-R276 VanDerWaalsContact O-N 3.15Å; R276-R280 PolarHBondContact O-N 3.12Å; R276-R280 VanDerWaalsContact O-N 3.09Å
277	E	96.8	Very high	94.9	Very high	66 Å²	66	55.4 Å²	55.4	31%	0.308	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-45	175.6	-178.5	169.8	-166.9	0	0	111.6	L245 E273 E274 L275 K279 R280 L281	L245-E277 HydrophobicContact CD1-CB 4.04Å; L245-E277 HydrophobicContact CD1-CG 4.08Å; E273-E277 PolarHBondContact O-N 3.25Å; E274-E277 PolarHBondContact O-N 3.47Å; L275-E277 VanDerWaalsContact C-N 3.34Å; E277-K279 PolarHBondContact O-N 2.91Å; E277-R280 WeakPolarHBondContact O-CB 3.42Å; E277-R280 PolarHBondContact O-N 2.95Å; E277-R280 VanDerWaalsContact O-N 3.15Å; E277-R280 IonicContact OE1-NH2 2.79Å; E277-L281 HydrophobicContact CG-CD1 3.98Å; E277-L281 HydrophobicContact CG-CG 4.4Å; E277-L281 WeakPolarHBondContact O-CG 3.36Å; E277-L281 PolarHBondContact O-N 3.36Å
278	L	95.8	Very high	94.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-42.1	179	-170.5	62.2	0	0	0	111.5	L229 L245 V266 E274 L275 R280 L281 L282 M285	L229-L278 HydrophobicContact CD2-CD2 4.26Å; L245-L278 HydrophobicContact CD2-CD1 4.43Å; V266-L278 HydrophobicContact CG1-CD2 4.19Å; E274-L278 WeakPolarHBondContact O-CB 3.38Å; E274-L278 PolarHBondContact O-N 3Å; L275-L278 PolarHBondContact O-N 3.33Å; L278-R280 VanDerWaalsContact C-N 3.3Å; L278-R280 PolarHBondContact O-N 2.88Å; L278-L281 CarbonylContact O-C 3.56Å; L278-L281 PolarHBondContact O-N 3.49Å; L278-L281 VanDerWaalsContact O-N 3.15Å; L278-L282 HydrophobicContact CD1-CD1 3.88Å; L278-L282 HydrophobicContact CG-CD1 4.47Å; L278-L282 PolarHBondContact O-N 2.93Å; L278-M285 HydrophobicContact CB-SD 4.39Å; L278-M285 HydrophobicContact CD2-SD 4.05Å; L278-M285 HydrophobicContact CG-SD 3.83Å
279	K	96.1	Very high	94.8	Very high	96 Å²	96	62 Å²	62	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-40.3	173.8	-162	82	176.8	-178.9	0	111.5	L275 E277 L282 P283 M285	L275-K279 WeakPolarHBondContact O-CB 3.26Å; L275-K279 PolarHBondContact O-N 3.45Å; E277-K279 PolarHBondContact O-N 2.91Å; K279-L282 CarbonylContact O-C 3.43Å; K279-L282 PolarHBondContact O-N 3.42Å; K279-P283 VanDerWaalsContact O-CA 3.29Å; K279-P283 WeakPolarHBondContact O-CA 3.31Å; K279-P283 VanDerWaalsContact O-N 3.11Å; K279-M285 HydrophobicContact CB-CE 3.76Å; K279-M285 HydrophobicContact CD-CE 3.46Å; K279-M285 VanDerWaalsContact CD-CE 3.46Å; K279-M285 HydrophobicContact CD-CG 3.93Å; K279-M285 HydrophobicContact CD-SD 4.42Å; K279-M285 HydrophobicContact CG-CE 4.21Å; K279-M285 PolarHBondContact NZ-O 2.95Å
280	R	97.1	Very high	94.8	Very high	177 Å²	177	63 Å²	63	67%	0.668	31%	0.307	S	S	*	.	H	α-helix	trans	-65.2	-39.6	176	-173.6	-175.8	66	144.2	-4.4	111.8	R276 E277 L278	R276-R280 PolarHBondContact O-N 3.12Å; R276-R280 VanDerWaalsContact O-N 3.09Å; E277-R280 WeakPolarHBondContact O-CB 3.42Å; E277-R280 PolarHBondContact O-N 2.95Å; E277-R280 VanDerWaalsContact O-N 3.15Å; E277-R280 IonicContact OE1-NH2 2.79Å; L278-R280 VanDerWaalsContact C-N 3.3Å; L278-R280 PolarHBondContact O-N 2.88Å
281	L	97.1	Very high	94.9	Very high	39 Å²	39	64.9 Å²	64.9	20%	0.204	32%	0.32	C	S	.	.	H	α-helix	trans	-76.4	-29.7	179.2	-66.4	171.3	0	0	0	112.9	L245 K246 A249 R253 E277 L278	L245-L281 HydrophobicContact CB-CD1 4.09Å; K246-L281 HydrophobicContact CG-CD1 4.01Å; K246-L281 HydrophobicContact CG-CD2 4.37Å; A249-L281 HydrophobicContact CB-CB 3.77Å; A249-L281 HydrophobicContact CB-CD1 4.32Å; R253-L281 PolarHBondContact NE-O 3.03Å; R253-L281 PolarHBondContact NH2-O 2.91Å; E277-L281 HydrophobicContact CG-CD1 3.98Å; E277-L281 HydrophobicContact CG-CG 4.4Å; E277-L281 WeakPolarHBondContact O-CG 3.36Å; E277-L281 PolarHBondContact O-N 3.36Å; L278-L281 CarbonylContact O-C 3.56Å; L278-L281 PolarHBondContact O-N 3.49Å; L278-L281 VanDerWaalsContact O-N 3.15Å
282	L	95.4	Very high	95	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.021	33%	0.332	C	S	.	.			trans	-133.2	75.9	-179.3	-64.6	172.3	0	0	0	110.8	A249 I252 R253 L278 K279 D284 M285	A249-L282 HydrophobicContact CB-CD1 4.13Å; A249-L282 HydrophobicContact CB-CD2 4.08Å; A249-L282 HydrophobicContact CB-CG 3.83Å; I252-L282 HydrophobicContact CB-CD1 4.22Å; I252-L282 HydrophobicContact CB-CD2 4.35Å; I252-L282 HydrophobicContact CD1-CD1 3.54Å; I252-L282 HydrophobicContact CG1-CD1 4.47Å; I252-L282 HydrophobicContact CG2-CD1 3.95Å; I252-L282 HydrophobicContact CG2-CD2 3.88Å; R253-L282 HydrophobicContact CG-CD2 3.84Å; L278-L282 HydrophobicContact CD1-CD1 3.88Å; L278-L282 HydrophobicContact CG-CD1 4.47Å; L278-L282 PolarHBondContact O-N 2.93Å; K279-L282 CarbonylContact O-C 3.43Å; K279-L282 PolarHBondContact O-N 3.42Å; L282-D284 PolarHBondContact O-N 2.8Å; L282-M285 HydrophobicContact CB-CB 4.19Å; L282-M285 WeakPolarHBondContact O-CB 3.46Å; L282-M285 VanDerWaalsContact O-CG 3.29Å; L282-M285 WeakPolarHBondContact O-CG 3.33Å; L282-M285 PolarHBondContact O-N 3.04Å; L282-M285 VanDerWaalsContact O-N 3.08Å
283	P	93.9	Very high	95.1	Very high	76 Å²	76	72.7 Å²	72.7	49%	0.494	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.8	-179.4	-25.6	36.3	0	0	0	113.4	K279 M285	K279-P283 VanDerWaalsContact O-CA 3.29Å; K279-P283 WeakPolarHBondContact O-CA 3.31Å; K279-P283 VanDerWaalsContact O-N 3.11Å; P283-M285 PolarHBondContact O-N 3.24Å
284	D	88.1	Confident	95.1	Very high	94 Å²	94	69.4 Å²	69.4	50%	0.503	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.1	-178.9	-45.2	-54.6	0	0	0	113.4	L282	L282-D284 PolarHBondContact O-N 2.8Å
285	M	95.7	Very high	95.1	Very high	7 Å²	7	69.8 Å²	69.8	3%	0.034	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.5	179.8	80.6	175.1	-165.4	0	0	112.1	V264 V266 L278 K279 L282 P283	V264-M285 HydrophobicContact CG1-CB 4.08Å; V266-M285 HydrophobicContact CG2-CB 4.01Å; L278-M285 HydrophobicContact CB-SD 4.39Å; L278-M285 HydrophobicContact CD2-SD 4.05Å; L278-M285 HydrophobicContact CG-SD 3.83Å; K279-M285 HydrophobicContact CB-CE 3.76Å; K279-M285 HydrophobicContact CD-CE 3.46Å; K279-M285 VanDerWaalsContact CD-CE 3.46Å; K279-M285 HydrophobicContact CD-CG 3.93Å; K279-M285 HydrophobicContact CD-SD 4.42Å; K279-M285 HydrophobicContact CG-CE 4.21Å; K279-M285 PolarHBondContact NZ-O 2.95Å; L282-M285 HydrophobicContact CB-CB 4.19Å; L282-M285 WeakPolarHBondContact O-CB 3.46Å; L282-M285 VanDerWaalsContact O-CG 3.29Å; L282-M285 WeakPolarHBondContact O-CG 3.33Å; L282-M285 PolarHBondContact O-N 3.04Å; L282-M285 VanDerWaalsContact O-N 3.08Å; P283-M285 PolarHBondContact O-N 3.24Å
286	V	97.7	Very high	95	Very high	34 Å²	34	72.4 Å²	72.4	21%	0.206	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.2	174	179.4	0	0	0	0	108.4	F189 L194 T263 V264 F265 V266	F189-V286 HydrophobicContact CE1-CG1 3.87Å; F189-V286 HydrophobicContact CZ-CG1 3.57Å; L194-V286 HydrophobicContact CD2-CB 4.21Å; L194-V286 HydrophobicContact CD2-CG1 4.01Å; T263-V286 HydrophobicContact CG2-CG2 3.83Å; V264-V286 PolarHBondContact O-N 2.84Å; F265-V286 WeakPolarHBondContact CA-O 3.31Å; V266-V286 PolarHBondContact N-O 3.36Å
287	R	97.8	Very high	94.8	Very high	48 Å²	48	70.1 Å²	70.1	18%	0.181	34%	0.342	C	S	.	.			trans	-139.2	150	179.7	-64.5	-175.7	63	-137.4	9.6	109.7	F189 V266 E289	F189-R287 WeakPolarHBondContact CZ-O 3.33Å; V266-R287 HydrophobicContact CB-CG 4.29Å; V266-R287 WeakPolarHBondContact O-CG 3.26Å; R287-E289 HydrophobicContact CB-CG 4.11Å; R287-E289 IonicContact CZ-OE1 3.22Å; R287-E289 IonicContact NH1-OE1 3.56Å; R287-E289 PolarHBondContact NH1-OE1 3.4Å
288	F	97.7	Very high	94.7	Very high	24 Å²	24	67.2 Å²	67.2	11%	0.105	33%	0.329	C	S	.	.			trans	-80.3	115.2	166	-177.6	-103.3	0	0	0	108.2	I185 F189 F265 P290 L298 V303 I306 I310	I185-F288 HydrophobicContact CG2-CE2 3.75Å; I185-F288 HydrophobicContact CG2-CZ 3.84Å; F189-F288 AromaticContact CD2-CD2 3.6Å; F189-F288 HydrophobicContact CD2-CD2 3.6Å; F189-F288 HydrophobicContact CD2-CE2 4.37Å; F189-F288 HydrophobicContact CE2-CB 4.25Å; F189-F288 AromaticContact CE2-CD2 3.98Å; F189-F288 HydrophobicContact CE2-CD2 3.98Å; F189-F288 HydrophobicContact CG-CD2 4.18Å; F189-F288 HydrophobicContact CZ-CB 4.45Å; F265-F288 HydrophobicContact CE2-CB 4.14Å; F265-F288 HydrophobicContact CZ-CB 4.19Å; F288-P290 HydrophobicContact CE1-CB 4Å; F288-P290 HydrophobicContact CE1-CG 4.29Å; F288-P290 HydrophobicContact CZ-CB 4.34Å; F288-L298 HydrophobicContact CZ-CD1 4.33Å; F288-V303 HydrophobicContact CD1-CG1 4.11Å; F288-V303 HydrophobicContact CE1-CG1 4.26Å; F288-V303 HydrophobicContact CE1-CG2 4.42Å; F288-I306 HydrophobicContact CD1-CB 4.42Å; F288-I306 HydrophobicContact CD1-CG2 3.86Å; F288-I306 HydrophobicContact CD2-CG2 3.89Å; F288-I306 HydrophobicContact CE1-CB 4.33Å; F288-I306 HydrophobicContact CE1-CD1 3.95Å; F288-I306 HydrophobicContact CE1-CG2 3.96Å; F288-I306 HydrophobicContact CE2-CG2 4Å; F288-I306 HydrophobicContact CG-CG2 3.84Å; F288-I306 HydrophobicContact CZ-CD1 3.87Å; F288-I306 HydrophobicContact CZ-CG2 4.03Å; F288-I310 HydrophobicContact CB-CD1 4.24Å
289	E	95.4	Very high	94.7	Very high	128 Å²	128	71.1 Å²	71.1	60%	0.598	34%	0.343	S	S	*	.			trans	-122.7	95.1	-179.2	-67.5	-177.8	166.8	0	0	107.2	R287	R287-E289 HydrophobicContact CB-CG 4.11Å; R287-E289 IonicContact CZ-OE1 3.22Å; R287-E289 IonicContact NH1-OE1 3.56Å; R287-E289 PolarHBondContact NH1-OE1 3.4Å
290	P	94.2	Very high	94.6	Very high	38 Å²	38	67.4 Å²	67.4	25%	0.247	33%	0.328	C	S	.	.			trans	-65.6	148.8	-177.7	28.5	-35.5	0	0	0	110.6	F288 D294 L295 V303	F288-P290 HydrophobicContact CE1-CB 4Å; F288-P290 HydrophobicContact CE1-CG 4.29Å; F288-P290 HydrophobicContact CZ-CB 4.34Å; P290-D294 HydrophobicContact CB-CB 3.94Å; P290-L295 HydrophobicContact CB-CB 4.4Å; P290-L295 HydrophobicContact CG-CB 4.29Å; P290-L295 HydrophobicContact CG-CD1 4.43Å; P290-V303 HydrophobicContact CB-CG2 4.32Å; P290-V303 HydrophobicContact CG-CG1 4.28Å; P290-V303 HydrophobicContact CG-CG2 3.83Å
291	S	94.4	Very high	94.5	Very high	46 Å²	46	59.4 Å²	59.4	32%	0.322	30%	0.301	S	S	.	.			trans	-63.1	168.1	165.4	68.6	0	0	0	0	110.3	E293 D294 L295	S291-E293 PolarHBondContact O-N 3.21Å; S291-D294 WeakPolarHBondContact CB-OD2 3.29Å; S291-D294 PolarHBondContact N-OD2 3.12Å; S291-D294 PolarHBondContact O-N 2.99Å; S291-D294 WeakPolarHBondContact OG-CB 3.3Å; S291-D294 PolarHBondContact OG-N 3.29Å; S291-D294 PolarHBondContact OG-OD2 2.92Å; S291-L295 VanDerWaalsContact O-CB 3.3Å; S291-L295 WeakPolarHBondContact O-CB 3.23Å; S291-L295 PolarHBondContact O-N 2.8Å
292	K	92.4	Very high	94.5	Very high	145 Å²	145	57.6 Å²	57.6	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-63	-40.1	176.7	-173.3	-176.6	173.8	-170.6	0	110.5	L295 E296	K292-L295 PolarHBondContact O-N 3Å; K292-E296 WeakPolarHBondContact CE-OE1 3.26Å; K292-E296 WeakPolarHBondContact O-CG 3.38Å; K292-E296 PolarHBondContact O-N 2.95Å
293	E	93.3	Very high	94.6	Very high	131 Å²	131	58.4 Å²	58.4	61%	0.612	30%	0.296	S	S	*	.	H	α-helix	trans	-64.4	-44.6	177.9	-61.3	72.8	-160.4	0	0	111.1	S291 E296 L297	S291-E293 PolarHBondContact O-N 3.21Å; E293-E296 PolarHBondContact O-N 2.81Å; E293-L297 PolarHBondContact O-N 3.42Å
294	D	93.8	Very high	94.7	Very high	72 Å²	72	56.2 Å²	56.2	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-39.4	175.8	-65.2	-40.9	0	0	0	111.5	P290 S291 E296 L297 L298	P290-D294 HydrophobicContact CB-CB 3.94Å; S291-D294 WeakPolarHBondContact CB-OD2 3.29Å; S291-D294 PolarHBondContact N-OD2 3.12Å; S291-D294 PolarHBondContact O-N 2.99Å; S291-D294 WeakPolarHBondContact OG-CB 3.3Å; S291-D294 PolarHBondContact OG-N 3.29Å; S291-D294 PolarHBondContact OG-OD2 2.92Å; D294-E296 VanDerWaalsContact C-N 3.32Å; D294-E296 PolarHBondContact O-N 3.47Å; D294-L297 PolarHBondContact O-N 3.37Å; D294-L298 HydrophobicContact CB-CD1 4.12Å; D294-L298 VanDerWaalsContact O-CB 3.22Å; D294-L298 WeakPolarHBondContact O-CB 3.48Å; D294-L298 WeakPolarHBondContact O-CG 3.3Å; D294-L298 PolarHBondContact O-N 2.74Å
295	L	93.4	Very high	95.2	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-37.3	176.7	178.9	62.4	0	0	0	111.9	I33 P290 S291 K292 R299 V303	I33-L295 HydrophobicContact CD1-CD1 4.47Å; I33-L295 HydrophobicContact CD1-CG 4.34Å; P290-L295 HydrophobicContact CB-CB 4.4Å; P290-L295 HydrophobicContact CG-CB 4.29Å; P290-L295 HydrophobicContact CG-CD1 4.43Å; S291-L295 VanDerWaalsContact O-CB 3.3Å; S291-L295 WeakPolarHBondContact O-CB 3.23Å; S291-L295 PolarHBondContact O-N 2.8Å; K292-L295 PolarHBondContact O-N 3Å; L295-R299 VanDerWaalsContact O-CA 3.29Å; L295-R299 WeakPolarHBondContact O-CA 3.32Å; L295-R299 PolarHBondContact O-N 2.98Å; L295-V303 HydrophobicContact CD1-CG2 4Å
296	E	91.9	Very high	95.4	Very high	85 Å²	85	51.9 Å²	51.9	40%	0.397	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-47	170	-75.9	175.7	-162.9	0	0	110.1	I33 K292 E293 D294 R299	I33-E296 HydrophobicContact CG2-CG 3.83Å; K292-E296 WeakPolarHBondContact CE-OE1 3.26Å; K292-E296 WeakPolarHBondContact O-CG 3.38Å; K292-E296 PolarHBondContact O-N 2.95Å; E293-E296 PolarHBondContact O-N 2.81Å; D294-E296 VanDerWaalsContact C-N 3.32Å; D294-E296 PolarHBondContact O-N 3.47Å; E296-R299 VanDerWaalsContact O-CD 3.24Å; E296-R299 WeakPolarHBondContact O-CD 3.46Å; E296-R299 PolarHBondContact O-NE 3.34Å; E296-R299 PolarHBondContact O-NH1 3.1Å
297	L	93.4	Very high	95.4	Very high	122 Å²	122	51.2 Å²	51.2	64%	0.639	26%	0.257	S	S	*	.	H	α-helix	trans	-65.3	-51.2	179.5	-178.3	63.2	0	0	0	113.3	E293 D294	E293-L297 PolarHBondContact O-N 3.42Å; D294-L297 PolarHBondContact O-N 3.37Å
298	L	94.8	Very high	95.5	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-79.8	-23.7	-169.7	-60.7	170.9	0	0	0	112.7	L182 I185 F288 D294 G302 V303 I306	L182-L298 HydrophobicContact CD2-CD2 3.59Å; I185-L298 HydrophobicContact CD1-CD1 4.31Å; I185-L298 HydrophobicContact CD1-CD2 3.6Å; F288-L298 HydrophobicContact CZ-CD1 4.33Å; D294-L298 HydrophobicContact CB-CD1 4.12Å; D294-L298 VanDerWaalsContact O-CB 3.22Å; D294-L298 WeakPolarHBondContact O-CB 3.48Å; D294-L298 WeakPolarHBondContact O-CG 3.3Å; D294-L298 PolarHBondContact O-N 2.74Å; L298-G302 VanDerWaalsContact O-CA 3.23Å; L298-G302 WeakPolarHBondContact O-CA 3.39Å; L298-G302 PolarHBondContact O-N 3.35Å; L298-V303 HydrophobicContact CB-CG2 4.2Å; L298-V303 HydrophobicContact CD1-CG2 4.42Å; L298-I306 HydrophobicContact CD1-CD1 3.78Å; L298-I306 HydrophobicContact CD2-CD1 4.29Å
299	R	94.6	Very high	95.5	Very high	82 Å²	82	48.9 Å²	48.9	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	56.7	177.4	-168.4	-47.2	-59.8	-172.9	-153.6	-2.3	111.2	I38 L295 E296 G301 G302 V303	I38-R299 HydrophobicContact CD1-CB 4.38Å; I38-R299 HydrophobicContact CD1-CG 4.02Å; L295-R299 VanDerWaalsContact O-CA 3.29Å; L295-R299 WeakPolarHBondContact O-CA 3.32Å; L295-R299 PolarHBondContact O-N 2.98Å; E296-R299 VanDerWaalsContact O-CD 3.24Å; E296-R299 WeakPolarHBondContact O-CD 3.46Å; E296-R299 PolarHBondContact O-NE 3.34Å; E296-R299 PolarHBondContact O-NH1 3.1Å; R299-G301 PolarHBondContact O-N 2.69Å; R299-G302 PolarHBondContact O-N 3.43Å; R299-V303 WeakPolarHBondContact O-CG2 3.44Å; R299-V303 PolarHBondContact O-N 3.01Å
300	D	93.9	Very high	95.7	Very high	19 Å²	19	42.8 Å²	42.8	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-30.8	-179.4	-68.5	-25.9	0	0	0	111.9	W28 Q29 S30 Q35 A304	W28-D300 VanDerWaalsContact CA-OD2 3.26Å; W28-D300 WeakPolarHBondContact CA-OD2 3.35Å; W28-D300 HydrophobicContact CB-CB 4.07Å; W28-D300 VanDerWaalsContact CB-OD2 3.29Å; W28-D300 WeakPolarHBondContact CB-OD2 3.35Å; W28-D300 HydrophobicContact CD2-CB 4.36Å; W28-D300 HydrophobicContact CG-CB 3.85Å; Q29-D300 PolarHBondContact N-OD2 3.14Å; S30-D300 WeakPolarHBondContact CB-OD1 3.23Å; S30-D300 PolarHBondContact N-OD2 2.7Å; S30-D300 PolarHBondContact OG-OD1 2.96Å; Q35-D300 PolarHBondContact NE2-OD2 2.91Å; D300-A304 VanDerWaalsContact O-CB 3.28Å; D300-A304 WeakPolarHBondContact O-CB 3.23Å; D300-A304 PolarHBondContact O-N 3.01Å
301	G	95.1	Very high	95.9	Very high	9 Å²	9	41 Å²	41	9%	0.093	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-43.4	176.3	0	0	0	0	0	113.6	R299 A304 I305	R299-G301 PolarHBondContact O-N 2.69Å; G301-A304 WeakPolarHBondContact O-CB 3.47Å; G301-A304 PolarHBondContact O-N 2.76Å; G301-I305 WeakPolarHBondContact O-CG1 3.13Å; G301-I305 PolarHBondContact O-N 2.9Å
302	G	97.3	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-42.1	179.1	0	0	0	0	0	111.7	L298 R299 A304 I305 I306	L298-G302 VanDerWaalsContact O-CA 3.23Å; L298-G302 WeakPolarHBondContact O-CA 3.39Å; L298-G302 PolarHBondContact O-N 3.35Å; R299-G302 PolarHBondContact O-N 3.43Å; G302-A304 VanDerWaalsContact C-N 3.35Å; G302-A304 PolarHBondContact O-N 3.09Å; G302-I305 PolarHBondContact O-N 2.83Å; G302-I306 WeakPolarHBondContact O-CG1 3.32Å; G302-I306 PolarHBondContact O-N 3.33Å
303	V	97.3	Very high	96.4	Very high	22 Å²	22	31.9 Å²	31.9	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-45.6	174	177.2	0	0	0	0	110.9	F288 P290 L295 L298 R299 I305 I306 D307	F288-V303 HydrophobicContact CD1-CG1 4.11Å; F288-V303 HydrophobicContact CE1-CG1 4.26Å; F288-V303 HydrophobicContact CE1-CG2 4.42Å; P290-V303 HydrophobicContact CB-CG2 4.32Å; P290-V303 HydrophobicContact CG-CG1 4.28Å; P290-V303 HydrophobicContact CG-CG2 3.83Å; L295-V303 HydrophobicContact CD1-CG2 4Å; L298-V303 HydrophobicContact CB-CG2 4.2Å; L298-V303 HydrophobicContact CD1-CG2 4.42Å; R299-V303 WeakPolarHBondContact O-CG2 3.44Å; R299-V303 PolarHBondContact O-N 3.01Å; V303-I305 VanDerWaalsContact C-N 3.32Å; V303-I305 PolarHBondContact O-N 3.15Å; V303-I306 PolarHBondContact O-N 3.18Å; V303-D307 PolarHBondContact O-N 3.12Å
304	A	97.1	Very high	96.7	Very high	29 Å²	29	25.7 Å²	25.7	24%	0.24	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-40.3	176.1	0	0	0	0	0	112.7	D300 G301 G302 D307 Q308 F325	D300-A304 VanDerWaalsContact O-CB 3.28Å; D300-A304 WeakPolarHBondContact O-CB 3.23Å; D300-A304 PolarHBondContact O-N 3.01Å; G301-A304 WeakPolarHBondContact O-CB 3.47Å; G301-A304 PolarHBondContact O-N 2.76Å; G302-A304 VanDerWaalsContact C-N 3.35Å; G302-A304 PolarHBondContact O-N 3.09Å; A304-D307 PolarHBondContact O-N 3.15Å; A304-Q308 VanDerWaalsContact O-CG 3.31Å; A304-Q308 WeakPolarHBondContact O-CG 3.22Å; A304-Q308 PolarHBondContact O-N 3.02Å; A304-F325 HydrophobicContact CB-CE2 3.91Å
305	I	98.6	Very high	96.9	Very high	11 Å²	11	26.7 Å²	26.7	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-41.9	176.4	-75.9	170.7	0	0	0	111.3	F43 F44 F178 L182 G301 G302 V303 D307 Q308 W309	F43-I305 HydrophobicContact CB-CD1 3.59Å; F43-I305 HydrophobicContact CD1-CD1 4.12Å; F43-I305 HydrophobicContact CG-CD1 4.03Å; F44-I305 HydrophobicContact CZ-CD1 4.45Å; F178-I305 HydrophobicContact CB-CG2 3.83Å; F178-I305 HydrophobicContact CD1-CB 4.33Å; F178-I305 HydrophobicContact CD1-CD1 3.94Å; F178-I305 HydrophobicContact CD1-CG1 3.95Å; F178-I305 HydrophobicContact CD1-CG2 3.48Å; F178-I305 VanDerWaalsContact CD1-CG2 3.48Å; F178-I305 HydrophobicContact CD2-CG2 3.69Å; F178-I305 HydrophobicContact CE1-CB 4.38Å; F178-I305 HydrophobicContact CE1-CD1 4.18Å; F178-I305 HydrophobicContact CE1-CG1 3.81Å; F178-I305 HydrophobicContact CE1-CG2 3.87Å; F178-I305 HydrophobicContact CE2-CG2 4.06Å; F178-I305 HydrophobicContact CG-CG2 3.4Å; F178-I305 HydrophobicContact CZ-CG1 4.45Å; F178-I305 HydrophobicContact CZ-CG2 4.14Å; L182-I305 HydrophobicContact CB-CG2 4.03Å; L182-I305 HydrophobicContact CD1-CB 3.98Å; L182-I305 HydrophobicContact CD1-CD1 3.84Å; L182-I305 HydrophobicContact CD1-CG2 3.68Å; L182-I305 HydrophobicContact CG-CG2 4.47Å; G301-I305 WeakPolarHBondContact O-CG1 3.13Å; G301-I305 PolarHBondContact O-N 2.9Å; G302-I305 PolarHBondContact O-N 2.83Å; V303-I305 VanDerWaalsContact C-N 3.32Å; V303-I305 PolarHBondContact O-N 3.15Å; I305-D307 VanDerWaalsContact C-N 3.34Å; I305-D307 PolarHBondContact O-N 3.09Å; I305-Q308 PolarHBondContact O-N 3.39Å; I305-W309 WeakPolarHBondContact O-CB 3.07Å; I305-W309 PolarHBondContact O-N 3.23Å
306	I	98.8	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-44.8	176.4	-69.7	159.7	0	0	0	110.3	L182 I185 F288 L298 G302 V303 Q308 W309 I310	L182-I306 HydrophobicContact CB-CG1 4.31Å; L182-I306 HydrophobicContact CD2-CD1 4.08Å; L182-I306 HydrophobicContact CD2-CG1 4.32Å; I185-I306 HydrophobicContact CB-CD1 4.05Å; I185-I306 HydrophobicContact CB-CG1 4.45Å; I185-I306 HydrophobicContact CD1-CD1 4.27Å; I185-I306 HydrophobicContact CG2-CD1 3.68Å; I185-I306 HydrophobicContact CG2-CG1 4.32Å; I185-I306 HydrophobicContact CG2-CG2 4.46Å; F288-I306 HydrophobicContact CD1-CB 4.42Å; F288-I306 HydrophobicContact CD1-CG2 3.86Å; F288-I306 HydrophobicContact CD2-CG2 3.89Å; F288-I306 HydrophobicContact CE1-CB 4.33Å; F288-I306 HydrophobicContact CE1-CD1 3.95Å; F288-I306 HydrophobicContact CE1-CG2 3.96Å; F288-I306 HydrophobicContact CE2-CG2 4Å; F288-I306 HydrophobicContact CG-CG2 3.84Å; F288-I306 HydrophobicContact CZ-CD1 3.87Å; F288-I306 HydrophobicContact CZ-CG2 4.03Å; L298-I306 HydrophobicContact CD1-CD1 3.78Å; L298-I306 HydrophobicContact CD2-CD1 4.29Å; G302-I306 WeakPolarHBondContact O-CG1 3.32Å; G302-I306 PolarHBondContact O-N 3.33Å; V303-I306 PolarHBondContact O-N 3.18Å; I306-Q308 PolarHBondContact O-N 3.17Å; I306-W309 PolarHBondContact O-N 3.4Å; I306-I310 HydrophobicContact CG2-CD1 3.65Å; I306-I310 HydrophobicContact CG2-CG1 4.4Å; I306-I310 VanDerWaalsContact O-CG1 3.27Å; I306-I310 WeakPolarHBondContact O-CG1 2.99Å; I306-I310 PolarHBondContact O-N 3.3Å
307	D	98.8	Very high	97.5	Very high	19 Å²	19	21.1 Å²	21.1	10%	0.102	11%	0.105	C	C	.	.	H	α-helix	trans	-58	-45.7	173.6	-89.8	-15.7	0	0	0	111.8	F265 A267 V303 A304 I305 I310 C311 F325	F265-D307 VanDerWaalsContact CZ-OD1 3.28Å; F265-D307 WeakPolarHBondContact CZ-OD1 3.45Å; A267-D307 HydrophobicContact CB-CB 3.8Å; V303-D307 PolarHBondContact O-N 3.12Å; A304-D307 PolarHBondContact O-N 3.15Å; I305-D307 VanDerWaalsContact C-N 3.34Å; I305-D307 PolarHBondContact O-N 3.09Å; D307-I310 PolarHBondContact O-N 2.74Å; D307-C311 WeakPolarHBondContact O-CB 3.45Å; D307-C311 PolarHBondContact O-N 2.9Å; D307-C311 PolarHBondContact O-SG 3.12Å; D307-C311 VanDerWaalsContact O-SG 3.41Å; D307-F325 HydrophobicContact CB-CZ 3.92Å
308	Q	98.8	Very high	97.8	Very high	21 Å²	21	15.4 Å²	15.4	10%	0.098	8%	0.075	C	C	.	.	H	α-helix	trans	-62.4	-43.5	176.8	-71.2	177	15.2	0	0	111.8	F178 A304 I305 I306 C311 A312 F325 I329	F178-Q308 HydrophobicContact CZ-CB 4.4Å; A304-Q308 VanDerWaalsContact O-CG 3.31Å; A304-Q308 WeakPolarHBondContact O-CG 3.22Å; A304-Q308 PolarHBondContact O-N 3.02Å; I305-Q308 PolarHBondContact O-N 3.39Å; I306-Q308 PolarHBondContact O-N 3.17Å; Q308-C311 PolarHBondContact O-N 3.42Å; Q308-A312 VanDerWaalsContact O-CB 3.3Å; Q308-A312 WeakPolarHBondContact O-CB 3.32Å; Q308-A312 PolarHBondContact O-N 3.16Å; Q308-F325 HydrophobicContact CG-CD1 4.1Å; Q308-F325 HydrophobicContact CG-CD2 4.26Å; Q308-F325 HydrophobicContact CG-CE1 3.61Å; Q308-F325 HydrophobicContact CG-CE2 3.77Å; Q308-F325 HydrophobicContact CG-CG 4.42Å; Q308-F325 HydrophobicContact CG-CZ 3.42Å; Q308-F325 VanDerWaalsContact CG-CZ 3.42Å; Q308-F325 VanDerWaalsContact NE2-CD2 3.25Å; Q308-I329 HydrophobicContact CB-CG1 3.93Å; Q308-I329 HydrophobicContact CG-CD1 4.2Å; Q308-I329 HydrophobicContact CG-CG1 3.81Å
309	W	98.8	Very high	97.9	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.011	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-47.8	179.2	-175.2	-105.3	0	0	0	111.3	F178 R183 D187 Y205 I305 I306 A312 H313	F178-W309 AromaticContact CD2-CE3 3.73Å; F178-W309 HydrophobicContact CD2-CE3 3.73Å; F178-W309 HydrophobicContact CD2-CZ3 4.35Å; F178-W309 HydrophobicContact CE2-CE3 4.12Å; R183-W309 HydrophobicContact CB-CZ2 4.2Å; R183-W309 HydrophobicContact CG-CD2 4.13Å; R183-W309 HydrophobicContact CG-CE3 4.23Å; R183-W309 HydrophobicContact CG-CH2 4.1Å; R183-W309 HydrophobicContact CG-CZ2 4Å; R183-W309 HydrophobicContact CG-CZ3 4.22Å; D187-W309 PolarHBondContact OD1-NE1 2.79Å; Y205-W309 AromaticContact CD2-CH2 3.92Å; Y205-W309 HydrophobicContact CD2-CH2 3.92Å; Y205-W309 AromaticContact CE2-CH2 3.93Å; Y205-W309 HydrophobicContact CE2-CH2 3.93Å; Y205-W309 HydrophobicContact CE2-CZ3 4.45Å; I305-W309 WeakPolarHBondContact O-CB 3.07Å; I305-W309 PolarHBondContact O-N 3.23Å; I306-W309 PolarHBondContact O-N 3.4Å; W309-A312 PolarHBondContact O-N 3.17Å; W309-H313 AromaticContact CD2-CE1 3.58Å; W309-H313 AromaticContact CD2-ND1 3.93Å; W309-H313 AromaticContact CE2-CE1 3.34Å; W309-H313 AromaticContact CE2-ND1 3.89Å; W309-H313 AromaticContact CE3-CE1 3.77Å; W309-H313 AromaticContact CH2-CE1 3.58Å; W309-H313 AromaticContact CZ2-CE1 3.36Å; W309-H313 WeakPolarHBondContact CZ2-CE1 3.13Å; W309-H313 AromaticContact CZ2-NE2 3.88Å; W309-H313 AromaticContact CZ3-CE1 3.78Å; W309-H313 AromaticContact NE1-CE1 3.89Å; W309-H313 PolarHBondContact O-N 2.82Å; W309-H313 PolarHBondContact O-ND1 3.37Å
310	I	98.9	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.7	-42.5	177	-61.9	161.7	0	0	0	110.3	F189 R190 L194 Y224 F265 F288 I306 D307 A312 H313	F189-I310 HydrophobicContact CB-CD1 4.09Å; F189-I310 HydrophobicContact CD1-CD1 3.53Å; F189-I310 HydrophobicContact CD1-CG1 4.26Å; F189-I310 HydrophobicContact CD1-CG2 4.44Å; F189-I310 HydrophobicContact CE1-CD1 4.15Å; F189-I310 HydrophobicContact CG-CD1 3.87Å; R190-I310 HydrophobicContact CG-CG1 4.34Å; R190-I310 HydrophobicContact CG-CG2 4.42Å; L194-I310 HydrophobicContact CD1-CG2 3.46Å; L194-I310 VanDerWaalsContact CD1-CG2 3.46Å; Y224-I310 HydrophobicContact CE2-CG2 4.16Å; Y224-I310 WeakPolarHBondContact CE2-O 3.31Å; Y224-I310 PolarHBondContact OH-O 2.83Å; F265-I310 HydrophobicContact CB-CG2 4.34Å; F265-I310 HydrophobicContact CD1-CB 4.17Å; F265-I310 HydrophobicContact CD1-CG2 3.57Å; F265-I310 HydrophobicContact CD2-CG2 3.67Å; F265-I310 HydrophobicContact CE1-CB 3.76Å; F265-I310 HydrophobicContact CE1-CD1 4.5Å; F265-I310 HydrophobicContact CE1-CG2 3.63Å; F265-I310 HydrophobicContact CE2-CB 4.25Å; F265-I310 HydrophobicContact CE2-CD1 3.82Å; F265-I310 HydrophobicContact CE2-CG2 3.71Å; F265-I310 HydrophobicContact CG-CG2 3.57Å; F265-I310 HydrophobicContact CZ-CB 3.79Å; F265-I310 HydrophobicContact CZ-CD1 3.67Å; F265-I310 HydrophobicContact CZ-CG1 4.35Å; F265-I310 HydrophobicContact CZ-CG2 3.69Å; F288-I310 HydrophobicContact CB-CD1 4.24Å; I306-I310 HydrophobicContact CG2-CD1 3.65Å; I306-I310 HydrophobicContact CG2-CG1 4.4Å; I306-I310 VanDerWaalsContact O-CG1 3.27Å; I306-I310 WeakPolarHBondContact O-CG1 2.99Å; I306-I310 PolarHBondContact O-N 3.3Å; D307-I310 PolarHBondContact O-N 2.74Å; I310-A312 VanDerWaalsContact C-N 3.32Å; I310-A312 PolarHBondContact O-N 2.92Å; I310-H313 PolarHBondContact O-N 3.41Å
311	C	98.9	Very high	98	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-38.4	174.8	-78.7	0	0	0	0	112.8	D307 Q308 H313 A314 F317 I329 R333	D307-C311 WeakPolarHBondContact O-CB 3.45Å; D307-C311 PolarHBondContact O-N 2.9Å; D307-C311 PolarHBondContact O-SG 3.12Å; D307-C311 VanDerWaalsContact O-SG 3.41Å; Q308-C311 PolarHBondContact O-N 3.42Å; C311-H313 PolarHBondContact O-N 3.5Å; C311-A314 WeakPolarHBondContact O-CB 3.34Å; C311-A314 PolarHBondContact O-N 3.47Å; C311-F317 HydrophobicContact CB-CD2 4Å; C311-F317 HydrophobicContact CB-CE2 3.81Å; C311-I329 HydrophobicContact CB-CD1 3.65Å; C311-I329 HydrophobicContact CB-CG1 4.21Å; C311-I329 HydrophobicContact CB-CG2 4.01Å; C311-R333 PolarHBondContact O-NH1 3.22Å
312	A	98.8	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.6	-29.7	-179.3	0	0	0	0	0	112.3	Q308 W309 I310 E332 R333 L336 F338	Q308-A312 VanDerWaalsContact O-CB 3.3Å; Q308-A312 WeakPolarHBondContact O-CB 3.32Å; Q308-A312 PolarHBondContact O-N 3.16Å; W309-A312 PolarHBondContact O-N 3.17Å; I310-A312 VanDerWaalsContact C-N 3.32Å; I310-A312 PolarHBondContact O-N 2.92Å; A312-E332 HydrophobicContact CB-CB 3.89Å; A312-E332 HydrophobicContact CB-CG 3.83Å; A312-R333 HydrophobicContact CB-CG 4.17Å; A312-R333 WeakPolarHBondContact O-CG 3.4Å; A312-R333 PolarHBondContact O-NH1 3.48Å; A312-L336 HydrophobicContact CB-CD1 4.08Å; A312-F338 WeakPolarHBondContact O-CE2 3.2Å; A312-F338 WeakPolarHBondContact O-CZ 3.45Å
313	H	98.9	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.5	-178.2	-70.8	83	0	0	0	115	R190 D198 T203 G221 G222 Y224 W309 I310 C311	R190-H313 PolarHBondContact NH1-CD2 2.92Å; R190-H313 PolarHBondContact NH1-NE2 2.03Å; R190-H313 PolarHBondContact NH2-CD2 3.45Å; R190-H313 VanDerWaalsContact NH2-CD2 3.26Å; D198-H313 IonicContact OD1-CD2 3.85Å; D198-H313 IonicContact OD1-NE2 3.91Å; T203-H313 PolarHBondContact OG1-CD2 3Å; G221-H313 CarbonylContact C-O 3.56Å; G221-H313 WeakPolarHBondContact CA-O 3.33Å; G222-H313 PolarHBondContact N-O 3Å; Y224-H313 WeakPolarHBondContact OH-CB 3.46Å; W309-H313 AromaticContact CD2-CE1 3.58Å; W309-H313 AromaticContact CD2-ND1 3.93Å; W309-H313 AromaticContact CE2-CE1 3.34Å; W309-H313 AromaticContact CE2-ND1 3.89Å; W309-H313 AromaticContact CE3-CE1 3.77Å; W309-H313 AromaticContact CH2-CE1 3.58Å; W309-H313 AromaticContact CZ2-CE1 3.36Å; W309-H313 WeakPolarHBondContact CZ2-CE1 3.13Å; W309-H313 AromaticContact CZ2-NE2 3.88Å; W309-H313 AromaticContact CZ3-CE1 3.78Å; W309-H313 AromaticContact NE1-CE1 3.89Å; W309-H313 PolarHBondContact O-N 2.82Å; W309-H313 PolarHBondContact O-ND1 3.37Å; I310-H313 PolarHBondContact O-N 3.41Å; C311-H313 PolarHBondContact O-N 3.5Å
314	A	98.8	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	148.8	179.1	0	0	0	0	0	112.6	Y224 G226 C311 F316 R333 F338	Y224-A314 HydrophobicContact CD2-CB 3.82Å; Y224-A314 HydrophobicContact CE2-CB 3.43Å; Y224-A314 VanDerWaalsContact CE2-CB 3.43Å; Y224-A314 PolarHBondContact OH-N 3.27Å; G226-A314 VanDerWaalsContact N-CB 3.28Å; C311-A314 WeakPolarHBondContact O-CB 3.34Å; C311-A314 PolarHBondContact O-N 3.47Å; A314-F316 WeakPolarHBondContact CB-O 3.37Å; A314-F316 PolarHBondContact O-N 2.95Å; A314-R333 PolarHBondContact O-NH1 3.29Å; A314-R333 PolarHBondContact O-NH2 3Å; A314-F338 VanDerWaalsContact O-CE1 3.28Å; A314-F338 WeakPolarHBondContact O-CE1 3.49Å
315	R	98.8	Very high	97.6	Very high	94 Å²	94	18.2 Å²	18.2	36%	0.355	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	-31.3	172.5	-178.7	163.2	-54.7	-177.2	2.4	113.5	I220 G221 G222 Y224 L261	I220-R315 WeakPolarHBondContact O-CA 3.24Å; G221-R315 PolarHBondContact O-NE 3.49Å; G221-R315 PolarHBondContact O-NH2 3.32Å; G222-R315 WeakPolarHBondContact O-CB 3.29Å; G222-R315 PolarHBondContact O-N 2.59Å; G222-R315 VanDerWaalsContact O-N 3.15Å; Y224-R315 PolarHBondContact O-N 2.78Å; L261-R315 HydrophobicContact CD2-CB 4.22Å
316	F	98.8	Very high	97.6	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.3	174.4	-164.1	-79	0	0	0	108.8	L225 G226 M255 H259 L261 A314 K341 T342 N345	L225-F316 HydrophobicContact CD1-CB 3.96Å; L225-F316 HydrophobicContact CD1-CD1 3.72Å; L225-F316 HydrophobicContact CD1-CG 4.26Å; L225-F316 WeakPolarHBondContact CD1-O 3.23Å; G226-F316 PolarHBondContact N-O 3.37Å; M255-F316 HydrophobicContact CE-CD1 3.8Å; M255-F316 HydrophobicContact CE-CD2 4.39Å; M255-F316 HydrophobicContact CE-CE1 3.21Å; M255-F316 HydrophobicContact CE-CE2 3.87Å; M255-F316 HydrophobicContact CE-CG 4.36Å; M255-F316 HydrophobicContact CE-CZ 3.24Å; H259-F316 AromaticContact CD2-CD2 3.93Å; H259-F316 AromaticContact CE1-CD2 3.41Å; H259-F316 VanDerWaalsContact CE1-CD2 3.41Å; H259-F316 WeakPolarHBondContact CE1-CD2 3.45Å; H259-F316 AromaticContact CE1-CE2 3.52Å; H259-F316 AromaticContact ND1-CD2 3.79Å; H259-F316 AromaticContact NE2-CD2 3.53Å; H259-F316 AromaticContact NE2-CE2 3.45Å; H259-F316 WeakPolarHBondContact NE2-CE2 3.3Å; L261-F316 HydrophobicContact CD1-CB 4.31Å; A314-F316 WeakPolarHBondContact CB-O 3.37Å; A314-F316 PolarHBondContact O-N 2.95Å; F316-K341 WeakPolarHBondContact CE2-O 3.46Å; F316-T342 HydrophobicContact CD2-CG2 4.09Å; F316-N345 HydrophobicContact CE1-CB 4.16Å; F316-N345 WeakPolarHBondContact CE1-ND2 3.4Å; F316-N345 HydrophobicContact CZ-CB 4.35Å; F316-N345 VanDerWaalsContact CZ-CG 3.47Å; F316-N345 WeakPolarHBondContact CZ-ND2 3.49Å
317	F	98.9	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.9	176.7	177.8	-107.1	0	0	0	111.3	G226 H228 C311 I329 H330 T342 N345	G226-F317 WeakPolarHBondContact O-CA 3.37Å; G226-F317 WeakPolarHBondContact O-CD2 3.47Å; H228-F317 HydrophobicContact CB-CE2 3.92Å; H228-F317 HydrophobicContact CB-CZ 3.81Å; C311-F317 HydrophobicContact CB-CD2 4Å; C311-F317 HydrophobicContact CB-CE2 3.81Å; F317-I329 HydrophobicContact CD1-CG2 3.92Å; F317-I329 HydrophobicContact CD2-CG2 3.94Å; F317-I329 HydrophobicContact CE1-CB 4.07Å; F317-I329 HydrophobicContact CE1-CG2 3.72Å; F317-I329 HydrophobicContact CE2-CB 4.41Å; F317-I329 HydrophobicContact CE2-CD1 3.76Å; F317-I329 HydrophobicContact CE2-CG2 3.77Å; F317-I329 HydrophobicContact CG-CG2 4.02Å; F317-I329 HydrophobicContact CZ-CB 3.9Å; F317-I329 HydrophobicContact CZ-CD1 3.6Å; F317-I329 HydrophobicContact CZ-CG1 4.35Å; F317-I329 HydrophobicContact CZ-CG2 3.63Å; F317-H330 AromaticContact CD1-CD2 3.82Å; F317-H330 AromaticContact CE1-CD2 3.58Å; F317-H330 AromaticContact CE1-NE2 3.59Å; F317-T342 PolarHBondContact N-O 2.93Å; F317-N345 WeakPolarHBondContact O-CB 3.47Å; F317-N345 PolarHBondContact O-ND2 2.94Å
318	I	98.8	Very high	97.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.8	168.6	-173.2	170.5	0	0	0	109.8	L225 G226 V227 H228 K251 N345 F347	L225-I318 HydrophobicContact CD1-CG2 4.47Å; G226-I318 PolarHBondContact O-N 2.89Å; V227-I318 WeakPolarHBondContact CA-O 3.29Å; V227-I318 HydrophobicContact CG2-CG2 3.89Å; H228-I318 PolarHBondContact N-O 3.18Å; K251-I318 HydrophobicContact CG-CD1 4.05Å; I318-N345 HydrophobicContact CB-CB 4.31Å; I318-N345 HydrophobicContact CG1-CB 4.2Å; I318-F347 HydrophobicContact CD1-CD1 3.86Å; I318-F347 HydrophobicContact CD1-CD2 4.34Å; I318-F347 HydrophobicContact CD1-CE1 3.88Å; I318-F347 HydrophobicContact CD1-CE2 4.34Å; I318-F347 HydrophobicContact CD1-CG 4.08Å; I318-F347 HydrophobicContact CD1-CZ 4.12Å; I318-F347 HydrophobicContact CG1-CD2 4.11Å; I318-F347 HydrophobicContact CG1-CE1 4.46Å; I318-F347 HydrophobicContact CG1-CE2 4.04Å; I318-F347 HydrophobicContact CG1-CG 4.31Å; I318-F347 HydrophobicContact CG1-CZ 4.23Å; I318-F347 HydrophobicContact CG2-CE1 4.34Å; I318-F347 HydrophobicContact CG2-CE2 3.9Å; I318-F347 HydrophobicContact CG2-CZ 3.64Å
319	G	98.1	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-104.2	-171.2	-177.9	0	0	0	0	0	114.2	H228 S326 N345 R346 F347	H228-G319 CarbonylContact O-C 3.57Å; G319-S326 WeakPolarHBondContact CA-OG 3.4Å; G319-N345 PolarHBondContact N-O 3.36Å; G319-R346 CarbonylContact O-C 3.38Å; G319-R346 VanDerWaalsContact O-CA 3.25Å; G319-R346 WeakPolarHBondContact O-CA 3.38Å; G319-F347 WeakPolarHBondContact O-CD2 3.35Å; G319-F347 PolarHBondContact O-N 3.12Å
320	T	96.8	Very high	97.5	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.018	11%	0.111	C	C	.	.			trans	-102.3	144.6	174.4	-60.1	0	0	0	0	110.4	H228 L229 R230 F234 V242 V322 S323 S326	H228-T320 PolarHBondContact O-N 3.49Å; H228-T320 PolarHBondContact O-OG1 3.28Å; L229-T320 WeakPolarHBondContact CA-OG1 3.32Å; R230-T320 HydrophobicContact CB-CG2 3.83Å; R230-T320 PolarHBondContact N-OG1 2.66Å; F234-T320 HydrophobicContact CD1-CG2 4.07Å; F234-T320 HydrophobicContact CE1-CG2 3.76Å; V242-T320 HydrophobicContact CG1-CG2 4.45Å; V242-T320 HydrophobicContact CG2-CG2 3.92Å; T320-V322 PolarHBondContact O-N 3.01Å; T320-S323 PolarHBondContact O-N 3.36Å; T320-S326 PolarHBondContact N-OG 2.86Å
321	S	94	Very high	97.5	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.042	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	136.9	177.3	-167.3	0	0	0	0	111.4	F234 D241 S323	F234-S321 WeakPolarHBondContact CE1-O 3.02Å; F234-S321 WeakPolarHBondContact CZ-O 3.25Å; D241-S321 WeakPolarHBondContact OD2-CB 3.4Å; D241-S321 PolarHBondContact OD2-OG 3.47Å; S321-S323 PolarHBondContact O-N 3.42Å
322	V	91.7	Very high	97.5	Very high	76 Å²	76	23.6 Å²	23.6	46%	0.461	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	16.8	176.5	-54.7	0	0	0	0	117.4	F234 H238 T320 T324	F234-V322 HydrophobicContact CE2-CG2 4.48Å; F234-V322 HydrophobicContact CZ-CG2 3.7Å; H238-V322 WeakPolarHBondContact CE1-CG2 3.37Å; T320-V322 PolarHBondContact O-N 3.01Å; V322-T324 PolarHBondContact O-N 2.81Å
323	S	94.9	Very high	97.5	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.035	12%	0.115	C	C	.	.			trans	-80.4	122.6	-179.2	-179.1	0	0	0	0	111.2	H228 T320 S321 F325 S326 F327	H228-S323 PolarHBondContact CE1-OG 3.21Å; H228-S323 VanDerWaalsContact CE1-OG 3.27Å; T320-S323 PolarHBondContact O-N 3.36Å; S321-S323 PolarHBondContact O-N 3.42Å; S323-F325 PolarHBondContact O-N 3.33Å; S323-F325 PolarHBondContact OG-N 2.69Å; S323-S326 WeakPolarHBondContact O-CB 3.48Å; S323-S326 PolarHBondContact O-N 3.37Å; S323-F327 WeakPolarHBondContact O-CD1 3.24Å; S323-F327 WeakPolarHBondContact O-CG 3.28Å; S323-F327 PolarHBondContact O-N 3.18Å
324	T	94.3	Very high	97.4	Very high	97 Å²	97	23.9 Å²	23.9	60%	0.595	12%	0.116	S	C	*	.	H	α-helix	trans	-60.7	-31.2	175.8	55.9	0	0	0	0	112.6	V322 F327 R328	V322-T324 PolarHBondContact O-N 2.81Å; T324-F327 HydrophobicContact CG2-CD2 4.5Å; T324-F327 WeakPolarHBondContact O-CB 3.42Å; T324-F327 PolarHBondContact O-N 3.26Å; T324-R328 WeakPolarHBondContact O-CG 3.36Å; T324-R328 PolarHBondContact O-N 2.97Å
325	F	96.8	Very high	97.4	Very high	39 Å²	39	24.3 Å²	24.3	17%	0.171	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-46.2	172.2	-170.1	-78.9	0	0	0	111.3	H228 A267 A304 D307 Q308 S323 F327 R328 I329	H228-F325 HydrophobicContact CB-CD1 4.41Å; H228-F325 AromaticContact CD2-CD1 3.3Å; H228-F325 WeakPolarHBondContact CD2-CD1 3.3Å; H228-F325 AromaticContact CD2-CE1 3.49Å; H228-F325 VanDerWaalsContact CD2-CE1 3.49Å; H228-F325 WeakPolarHBondContact CD2-CE1 3.47Å; H228-F325 AromaticContact CE1-CD1 3.63Å; H228-F325 AromaticContact CE1-CG 3.93Å; H228-F325 AromaticContact CG-CD1 3.56Å; H228-F325 AromaticContact CG-CE1 3.95Å; H228-F325 AromaticContact ND1-CD1 3.75Å; H228-F325 AromaticContact NE2-CD1 3.37Å; H228-F325 WeakPolarHBondContact NE2-CD1 3.43Å; H228-F325 AromaticContact NE2-CE1 3.94Å; H228-F325 AromaticContact NE2-CG 3.72Å; A267-F325 HydrophobicContact CB-CE1 4.21Å; A267-F325 HydrophobicContact CB-CZ 4.49Å; A304-F325 HydrophobicContact CB-CE2 3.91Å; D307-F325 HydrophobicContact CB-CZ 3.92Å; Q308-F325 HydrophobicContact CG-CD1 4.1Å; Q308-F325 HydrophobicContact CG-CD2 4.26Å; Q308-F325 HydrophobicContact CG-CE1 3.61Å; Q308-F325 HydrophobicContact CG-CE2 3.77Å; Q308-F325 HydrophobicContact CG-CG 4.42Å; Q308-F325 HydrophobicContact CG-CZ 3.42Å; Q308-F325 VanDerWaalsContact CG-CZ 3.42Å; Q308-F325 VanDerWaalsContact NE2-CD2 3.25Å; S323-F325 PolarHBondContact O-N 3.33Å; S323-F325 PolarHBondContact OG-N 2.69Å; F325-F327 VanDerWaalsContact C-N 3.33Å; F325-F327 PolarHBondContact O-N 2.82Å; F325-R328 PolarHBondContact O-N 3.1Å; F325-I329 HydrophobicContact CD1-CD1 3.72Å; F325-I329 HydrophobicContact CE1-CD1 3.58Å; F325-I329 HydrophobicContact CE1-CG1 4.48Å; F325-I329 PolarHBondContact O-N 3.36Å
326	S	98.3	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-38.2	172.8	-77.3	0	0	0	0	112.3	H228 G319 T320 S323 R328 I329 H330	H228-S326 PolarHBondContact ND1-OG 3.14Å; G319-S326 WeakPolarHBondContact CA-OG 3.4Å; T320-S326 PolarHBondContact N-OG 2.86Å; S323-S326 WeakPolarHBondContact O-CB 3.48Å; S323-S326 PolarHBondContact O-N 3.37Å; S326-R328 VanDerWaalsContact C-N 3.32Å; S326-R328 PolarHBondContact O-N 2.83Å; S326-I329 PolarHBondContact O-N 3.37Å; S326-H330 PolarHBondContact O-CD2 2.81Å; S326-H330 VanDerWaalsContact O-CG 3.23Å; S326-H330 PolarHBondContact O-N 3.12Å
327	F	98.1	Very high	97.2	Very high	69 Å²	69	19.8 Å²	19.8	30%	0.303	10%	0.102	S	C	.	.	H	α-helix	trans	-62	-38.9	176.2	-60	-18.1	0	0	0	112.2	S323 T324 F325 I329 H330 E331	S323-F327 WeakPolarHBondContact O-CD1 3.24Å; S323-F327 WeakPolarHBondContact O-CG 3.28Å; S323-F327 PolarHBondContact O-N 3.18Å; T324-F327 HydrophobicContact CG2-CD2 4.5Å; T324-F327 WeakPolarHBondContact O-CB 3.42Å; T324-F327 PolarHBondContact O-N 3.26Å; F325-F327 VanDerWaalsContact C-N 3.33Å; F325-F327 PolarHBondContact O-N 2.82Å; F327-I329 VanDerWaalsContact C-N 3.32Å; F327-I329 PolarHBondContact O-N 2.87Å; F327-H330 AromaticContact CD1-ND1 3.93Å; F327-H330 PolarHBondContact O-N 3Å; F327-E331 WeakPolarHBondContact O-CG 3.46Å; F327-E331 PolarHBondContact O-N 2.88Å; F327-E331 VanDerWaalsContact O-N 3.14Å
328	R	98.5	Very high	97.2	Very high	74 Å²	74	19.9 Å²	19.9	28%	0.279	10%	0.103	S	C	.	.	H	α-helix	trans	-61	-42.5	174.4	-64.4	-48.3	85	-154.9	-7.5	111.5	R173 T324 F325 S326 E331 E332	R173-R328 PolarHBondContact NH2-O 2.83Å; T324-R328 WeakPolarHBondContact O-CG 3.36Å; T324-R328 PolarHBondContact O-N 2.97Å; F325-R328 PolarHBondContact O-N 3.1Å; S326-R328 VanDerWaalsContact C-N 3.32Å; S326-R328 PolarHBondContact O-N 2.83Å; R328-E331 IonicContact CZ-OE1 3.82Å; R328-E331 IonicContact CZ-OE2 3.59Å; R328-E331 IonicContact NE-OE2 2.95Å; R328-E331 IonicContact NH1-OE1 3.88Å; R328-E331 IonicContact NH1-OE2 2.84Å; R328-E331 PolarHBondContact NH1-OE2 2.77Å; R328-E331 IonicContact NH2-OE1 2.8Å; R328-E331 PolarHBondContact NH2-OE1 3.23Å; R328-E331 IonicContact NH2-OE2 3.9Å; R328-E331 PolarHBondContact NH2-OE2 3.09Å; R328-E331 VanDerWaalsContact NH2-OE2 3.09Å; R328-E331 PolarHBondContact O-N 3.46Å; R328-E332 PolarHBondContact O-N 3.06Å
329	I	98.8	Very high	97.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-43.6	176.1	-62.4	165.9	0	0	0	111.1	H228 Q308 C311 F317 F325 S326 F327 E331 E332 R333	H228-I329 HydrophobicContact CB-CD1 4.18Å; Q308-I329 HydrophobicContact CB-CG1 3.93Å; Q308-I329 HydrophobicContact CG-CD1 4.2Å; Q308-I329 HydrophobicContact CG-CG1 3.81Å; C311-I329 HydrophobicContact CB-CD1 3.65Å; C311-I329 HydrophobicContact CB-CG1 4.21Å; C311-I329 HydrophobicContact CB-CG2 4.01Å; F317-I329 HydrophobicContact CD1-CG2 3.92Å; F317-I329 HydrophobicContact CD2-CG2 3.94Å; F317-I329 HydrophobicContact CE1-CB 4.07Å; F317-I329 HydrophobicContact CE1-CG2 3.72Å; F317-I329 HydrophobicContact CE2-CB 4.41Å; F317-I329 HydrophobicContact CE2-CD1 3.76Å; F317-I329 HydrophobicContact CE2-CG2 3.77Å; F317-I329 HydrophobicContact CG-CG2 4.02Å; F317-I329 HydrophobicContact CZ-CB 3.9Å; F317-I329 HydrophobicContact CZ-CD1 3.6Å; F317-I329 HydrophobicContact CZ-CG1 4.35Å; F317-I329 HydrophobicContact CZ-CG2 3.63Å; F325-I329 HydrophobicContact CD1-CD1 3.72Å; F325-I329 HydrophobicContact CE1-CD1 3.58Å; F325-I329 HydrophobicContact CE1-CG1 4.48Å; F325-I329 PolarHBondContact O-N 3.36Å; S326-I329 PolarHBondContact O-N 3.37Å; F327-I329 VanDerWaalsContact C-N 3.32Å; F327-I329 PolarHBondContact O-N 2.87Å; I329-E331 VanDerWaalsContact C-N 3.26Å; I329-E331 PolarHBondContact O-N 2.79Å; I329-E332 PolarHBondContact O-N 2.57Å; I329-R333 HydrophobicContact CG2-CG 4.23Å; I329-R333 VanDerWaalsContact O-CG 3.28Å; I329-R333 WeakPolarHBondContact O-CG 3.47Å; I329-R333 PolarHBondContact O-N 3.33Å
330	H	98.7	Very high	97.2	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-55.9	-44.6	178	-63.3	158.8	0	0	0	111.6	F317 S326 F327 R333 E334 T343 Y344	F317-H330 AromaticContact CD1-CD2 3.82Å; F317-H330 AromaticContact CE1-CD2 3.58Å; F317-H330 AromaticContact CE1-NE2 3.59Å; S326-H330 PolarHBondContact O-CD2 2.81Å; S326-H330 VanDerWaalsContact O-CG 3.23Å; S326-H330 PolarHBondContact O-N 3.12Å; F327-H330 AromaticContact CD1-ND1 3.93Å; F327-H330 PolarHBondContact O-N 3Å; H330-R333 PolarHBondContact O-N 2.94Å; H330-E334 PolarHBondContact O-N 3.47Å; H330-T343 HydrophobicContact CB-CG2 4.05Å; H330-T343 PolarHBondContact CD2-O 2.76Å; H330-T343 PolarHBondContact NE2-O 3.43Å; H330-T343 WeakPolarHBondContact O-CG2 3.34Å; H330-Y344 HydrophobicContact CB-CD1 4.15Å; H330-Y344 HydrophobicContact CB-CE1 3.81Å
331	E	98.4	Very high	97.2	Very high	7 Å²	7	32 Å²	32	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-71.3	-36.2	180	-69.3	166.6	-164.8	0	0	112.7	Y169 W170 R173 F327 R328 I329 R333 E334 I335	Y169-E331 PolarHBondContact OH-OE1 2.99Å; W170-E331 HydrophobicContact CH2-CB 4.16Å; W170-E331 HydrophobicContact CH2-CG 3.94Å; W170-E331 HydrophobicContact CZ3-CB 4.18Å; W170-E331 HydrophobicContact CZ3-CG 4.32Å; R173-E331 WeakPolarHBondContact CD-OE2 3.44Å; R173-E331 HydrophobicContact CG-CB 4.25Å; R173-E331 WeakPolarHBondContact CG-OE2 3.48Å; R173-E331 IonicContact CZ-OE2 3.27Å; R173-E331 IonicContact NE-OE2 3.11Å; R173-E331 PolarHBondContact NE-OE2 3.1Å; F327-E331 WeakPolarHBondContact O-CG 3.46Å; F327-E331 PolarHBondContact O-N 2.88Å; F327-E331 VanDerWaalsContact O-N 3.14Å; R328-E331 IonicContact CZ-OE1 3.82Å; R328-E331 IonicContact CZ-OE2 3.59Å; R328-E331 IonicContact NE-OE2 2.95Å; R328-E331 IonicContact NH1-OE1 3.88Å; R328-E331 IonicContact NH1-OE2 2.84Å; R328-E331 PolarHBondContact NH1-OE2 2.77Å; R328-E331 IonicContact NH2-OE1 2.8Å; R328-E331 PolarHBondContact NH2-OE1 3.23Å; R328-E331 IonicContact NH2-OE2 3.9Å; R328-E331 PolarHBondContact NH2-OE2 3.09Å; R328-E331 VanDerWaalsContact NH2-OE2 3.09Å; R328-E331 PolarHBondContact O-N 3.46Å; I329-E331 VanDerWaalsContact C-N 3.26Å; I329-E331 PolarHBondContact O-N 2.79Å; E331-R333 VanDerWaalsContact C-N 3.29Å; E331-R333 PolarHBondContact O-N 2.89Å; E331-E334 PolarHBondContact O-N 3.28Å; E331-I335 VanDerWaalsContact O-CG1 3.27Å; E331-I335 WeakPolarHBondContact O-CG1 3.37Å; E331-I335 PolarHBondContact O-N 3.22Å
332	E	98.3	Very high	97.4	Very high	9 Å²	9	33 Å²	33	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-40.2	174.8	-155.9	61.1	-147.5	0	0	110.9	R173 F178 A312 R328 I329 I335 L336	R173-E332 IonicContact CZ-OE2 3.67Å; R173-E332 VanDerWaalsContact CZ-OE2 3.31Å; R173-E332 IonicContact NH1-OE2 3.9Å; R173-E332 PolarHBondContact NH1-OE2 3.28Å; R173-E332 IonicContact NH2-OE2 2.78Å; R173-E332 PolarHBondContact NH2-OE2 2.97Å; F178-E332 HydrophobicContact CE2-CG 4.44Å; A312-E332 HydrophobicContact CB-CB 3.89Å; A312-E332 HydrophobicContact CB-CG 3.83Å; R328-E332 PolarHBondContact O-N 3.06Å; I329-E332 PolarHBondContact O-N 2.57Å; E332-I335 PolarHBondContact O-N 3.36Å; E332-L336 VanDerWaalsContact O-CG 3.31Å; E332-L336 WeakPolarHBondContact O-CG 3.44Å; E332-L336 PolarHBondContact O-N 3.09Å
333	R	98.6	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-38	174	-68.8	-179.1	68.1	80.6	-1.3	112.8	C311 A312 A314 I329 H330 E331 L336 G337 F338 T342 T343	C311-R333 PolarHBondContact O-NH1 3.22Å; A312-R333 HydrophobicContact CB-CG 4.17Å; A312-R333 WeakPolarHBondContact O-CG 3.4Å; A312-R333 PolarHBondContact O-NH1 3.48Å; A314-R333 PolarHBondContact O-NH1 3.29Å; A314-R333 PolarHBondContact O-NH2 3Å; I329-R333 HydrophobicContact CG2-CG 4.23Å; I329-R333 VanDerWaalsContact O-CG 3.28Å; I329-R333 WeakPolarHBondContact O-CG 3.47Å; I329-R333 PolarHBondContact O-N 3.33Å; H330-R333 PolarHBondContact O-N 2.94Å; E331-R333 VanDerWaalsContact C-N 3.29Å; E331-R333 PolarHBondContact O-N 2.89Å; R333-L336 PolarHBondContact O-N 3.39Å; R333-G337 PolarHBondContact O-N 2.93Å; R333-G337 VanDerWaalsContact O-N 3.1Å; R333-F338 HydrophobicContact CB-CB 4.28Å; R333-F338 HydrophobicContact CB-CD2 4.11Å; R333-F338 HydrophobicContact CB-CG 4.43Å; R333-F338 HydrophobicContact CG-CD2 4.34Å; R333-F338 WeakPolarHBondContact O-CD2 3.47Å; R333-F338 PolarHBondContact O-N 2.75Å; R333-T342 PolarHBondContact NH2-O 2.92Å; R333-T342 PolarHBondContact NH2-OG1 3.31Å; R333-T342 VanDerWaalsContact NH2-OG1 3.13Å; R333-T343 HydrophobicContact CB-CG2 3.66Å; R333-T343 WeakPolarHBondContact CB-OG1 3.46Å; R333-T343 HydrophobicContact CG-CG2 4.42Å; R333-T343 PolarHBondContact NE-OG1 2.89Å
334	E	97.9	Very high	97.9	Very high	6 Å²	6	30 Å²	30	3%	0.028	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-40.3	175.1	-168	73	-176.6	0	0	110.8	W170 H330 E331 G337 Y344 H360 K362 I363	W170-E334 HydrophobicContact CH2-CB 4Å; W170-E334 HydrophobicContact CH2-CG 3.9Å; W170-E334 HydrophobicContact CZ2-CG 4.3Å; H330-E334 PolarHBondContact O-N 3.47Å; E331-E334 PolarHBondContact O-N 3.28Å; E334-G337 PolarHBondContact O-N 3.07Å; E334-G337 VanDerWaalsContact O-N 3.15Å; E334-Y344 PolarHBondContact OE2-OH 3.31Å; E334-H360 IonicContact OE1-CD2 2.66Å; E334-H360 IonicContact OE1-CE1 2.88Å; E334-H360 IonicContact OE1-NE2 3.3Å; E334-H360 PolarHBondContact OE1-NE2 3.14Å; E334-H360 IonicContact OE2-CD2 3.57Å; E334-H360 IonicContact OE2-NE2 3.51Å; E334-H360 PolarHBondContact OE2-NE2 3.07Å; E334-K362 WeakPolarHBondContact OE1-CA 3.41Å; E334-I363 HydrophobicContact CG-CB 3.78Å; E334-I363 HydrophobicContact CG-CG2 3.9Å; E334-I363 PolarHBondContact OE1-N 3.48Å
335	I	97.4	Very high	98.1	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-44.4	174.8	-69.5	166.2	0	0	0	111.4	W170 R173 R174 M212 S214 E331 E332 G337 I363	W170-I335 HydrophobicContact CZ3-CD1 4.5Å; W170-I335 HydrophobicContact CZ3-CG1 4.13Å; R173-I335 HydrophobicContact CG-CD1 4.26Å; R174-I335 HydrophobicContact CG-CD1 3.98Å; R174-I335 HydrophobicContact CG-CG1 3.91Å; M212-I335 HydrophobicContact CE-CG2 3.99Å; M212-I335 HydrophobicContact SD-CG2 3.86Å; S214-I335 PolarHBondContact OG-O 3.49Å; E331-I335 VanDerWaalsContact O-CG1 3.27Å; E331-I335 WeakPolarHBondContact O-CG1 3.37Å; E331-I335 PolarHBondContact O-N 3.22Å; E332-I335 PolarHBondContact O-N 3.36Å; I335-G337 PolarHBondContact O-N 3.25Å; I335-I363 HydrophobicContact CG1-CD1 3.91Å
336	L	97.4	Very high	98.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-67.9	-15.5	176.9	-70.2	165.9	0	0	0	112.8	M212 S214 A312 E332 R333 F338	M212-L336 HydrophobicContact CE-CD2 3.78Å; S214-L336 PolarHBondContact OG-O 3.1Å; A312-L336 HydrophobicContact CB-CD1 4.08Å; E332-L336 VanDerWaalsContact O-CG 3.31Å; E332-L336 WeakPolarHBondContact O-CG 3.44Å; E332-L336 PolarHBondContact O-N 3.09Å; R333-L336 PolarHBondContact O-N 3.39Å; L336-F338 HydrophobicContact CB-CD2 3.73Å; L336-F338 HydrophobicContact CB-CE2 3.74Å; L336-F338 HydrophobicContact CD1-CE2 3.94Å; L336-F338 HydrophobicContact CG-CE2 4.48Å
337	G	97.1	Very high	98.1	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.031	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	30.9	176.4	0	0	0	0	0	113.9	G217 S218 A219 R333 E334 I335	G217-G337 CarbonylContact C-O 3.54Å; G217-G337 WeakPolarHBondContact CA-O 3.41Å; G217-G337 PolarHBondContact N-O 2.85Å; S218-G337 PolarHBondContact N-O 2.82Å; S218-G337 VanDerWaalsContact N-O 3.14Å; A219-G337 PolarHBondContact N-O 2.91Å; R333-G337 PolarHBondContact O-N 2.93Å; R333-G337 VanDerWaalsContact O-N 3.1Å; E334-G337 PolarHBondContact O-N 3.07Å; E334-G337 VanDerWaalsContact O-N 3.15Å; I335-G337 PolarHBondContact O-N 3.25Å
338	F	98.4	Very high	97.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	12%	0.122	C	C	.	.			trans	-65.9	155.3	171.5	-79.3	-90.5	0	0	0	111.9	T203 A219 A312 A314 R333 L336	T203-F338 HydrophobicContact CG2-CE2 3.72Å; T203-F338 HydrophobicContact CG2-CZ 3.56Å; A219-F338 HydrophobicContact CB-CD1 4.07Å; A219-F338 HydrophobicContact CB-CD2 3.83Å; A219-F338 HydrophobicContact CB-CE1 4.13Å; A219-F338 HydrophobicContact CB-CE2 3.89Å; A219-F338 HydrophobicContact CB-CG 3.93Å; A219-F338 HydrophobicContact CB-CZ 4.05Å; A312-F338 WeakPolarHBondContact O-CE2 3.2Å; A312-F338 WeakPolarHBondContact O-CZ 3.45Å; A314-F338 VanDerWaalsContact O-CE1 3.28Å; A314-F338 WeakPolarHBondContact O-CE1 3.49Å; R333-F338 HydrophobicContact CB-CB 4.28Å; R333-F338 HydrophobicContact CB-CD2 4.11Å; R333-F338 HydrophobicContact CB-CG 4.43Å; R333-F338 HydrophobicContact CG-CD2 4.34Å; R333-F338 WeakPolarHBondContact O-CD2 3.47Å; R333-F338 PolarHBondContact O-N 2.75Å; L336-F338 HydrophobicContact CB-CD2 3.73Å; L336-F338 HydrophobicContact CB-CE2 3.74Å; L336-F338 HydrophobicContact CD1-CE2 3.94Å; L336-F338 HydrophobicContact CG-CE2 4.48Å
339	D	97.9	Very high	97.7	Very high	63 Å²	63	21.5 Å²	21.5	34%	0.337	11%	0.111	S	C	.	.			trans	-65.5	128.6	170	-175.9	-40	0	0	0	109.2	K341 T342	D339-K341 PolarHBondContact O-N 3.18Å; D339-K341 VanDerWaalsContact OD1-CB 3.29Å; D339-K341 WeakPolarHBondContact OD1-CB 3.19Å; D339-K341 WeakPolarHBondContact OD1-CG 2.99Å; D339-K341 PolarHBondContact OD1-N 3.3Å; D339-T342 HydrophobicContact CB-CG2 4.3Å; D339-T342 WeakPolarHBondContact O-CB 3.32Å; D339-T342 PolarHBondContact O-N 2.68Å; D339-T342 PolarHBondContact O-OG1 2.95Å
340	P	97.8	Very high	97.4	Very high	31 Å²	31	26.1 Å²	26.1	20%	0.201	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-50.5	-32.7	178.5	-29.5	35.7	0	0	0	114.2	T342 T343 Y344 H360	P340-T342 PolarHBondContact O-N 2.69Å; P340-T343 PolarHBondContact O-N 2.9Å; P340-Y344 HydrophobicContact CB-CD2 3.86Å; P340-Y344 HydrophobicContact CB-CE2 4.02Å; P340-Y344 WeakPolarHBondContact O-CD2 3.04Å; P340-Y344 PolarHBondContact O-N 2.98Å; P340-H360 WeakPolarHBondContact CG-CE1 3.44Å
341	K	97.9	Very high	97.1	Very high	164 Å²	164	31.3 Å²	31.3	71%	0.713	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-62.9	-22	177.2	-64.8	172.7	-178	169.9	0	113.1	F316 D339 N345	F316-K341 WeakPolarHBondContact CE2-O 3.46Å; D339-K341 PolarHBondContact O-N 3.18Å; D339-K341 VanDerWaalsContact OD1-CB 3.29Å; D339-K341 WeakPolarHBondContact OD1-CB 3.19Å; D339-K341 WeakPolarHBondContact OD1-CG 2.99Å; D339-K341 PolarHBondContact OD1-N 3.3Å; K341-N345 PolarHBondContact O-ND2 3.03Å
342	T	98.4	Very high	96.8	Very high	27 Å²	27	33.3 Å²	33.3	17%	0.166	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-96.7	-3.7	177.1	72.9	0	0	0	0	113	F316 F317 R333 D339 P340	F316-T342 HydrophobicContact CD2-CG2 4.09Å; F317-T342 PolarHBondContact N-O 2.93Å; R333-T342 PolarHBondContact NH2-O 2.92Å; R333-T342 PolarHBondContact NH2-OG1 3.31Å; R333-T342 VanDerWaalsContact NH2-OG1 3.13Å; D339-T342 HydrophobicContact CB-CG2 4.3Å; D339-T342 WeakPolarHBondContact O-CB 3.32Å; D339-T342 PolarHBondContact O-N 2.68Å; D339-T342 PolarHBondContact O-OG1 2.95Å; P340-T342 PolarHBondContact O-N 2.69Å
343	T	98.6	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-56.8	-170.6	-65.3	0	0	0	0	111.8	H330 R333 P340 N345	H330-T343 HydrophobicContact CB-CG2 4.05Å; H330-T343 PolarHBondContact CD2-O 2.76Å; H330-T343 PolarHBondContact NE2-O 3.43Å; H330-T343 WeakPolarHBondContact O-CG2 3.34Å; R333-T343 HydrophobicContact CB-CG2 3.66Å; R333-T343 WeakPolarHBondContact CB-OG1 3.46Å; R333-T343 HydrophobicContact CG-CG2 4.42Å; R333-T343 PolarHBondContact NE-OG1 2.89Å; P340-T343 PolarHBondContact O-N 2.9Å; T343-N345 VanDerWaalsContact C-N 3.32Å; T343-N345 PolarHBondContact O-N 3.38Å
344	Y	98.3	Very high	96	Very high	18 Å²	18	51.7 Å²	51.7	7%	0.071	26%	0.263	C	S	.	.	S	Bend	trans	-88.3	70.8	-170.5	-59.1	-84.9	0	0	0	111	H330 E334 P340 P358 T359 H360 W361	H330-Y344 HydrophobicContact CB-CD1 4.15Å; H330-Y344 HydrophobicContact CB-CE1 3.81Å; E334-Y344 PolarHBondContact OE2-OH 3.31Å; P340-Y344 HydrophobicContact CB-CD2 3.86Å; P340-Y344 HydrophobicContact CB-CE2 4.02Å; P340-Y344 WeakPolarHBondContact O-CD2 3.04Å; P340-Y344 PolarHBondContact O-N 2.98Å; Y344-P358 HydrophobicContact CD1-CB 4.42Å; Y344-T359 VanDerWaalsContact CD1-O 3.24Å; Y344-T359 WeakPolarHBondContact CD1-O 3.41Å; Y344-T359 WeakPolarHBondContact CE1-O 3.33Å; Y344-H360 HydrophobicContact CD2-CB 4.01Å; Y344-H360 AromaticContact CD2-CD2 3.99Å; Y344-H360 HydrophobicContact CE2-CB 4.08Å; Y344-H360 AromaticContact CE2-CD2 3.21Å; Y344-H360 WeakPolarHBondContact CE2-CD2 3.36Å; Y344-H360 AromaticContact CE2-CG 3.82Å; Y344-H360 AromaticContact CE2-NE2 3.97Å; Y344-H360 HydrophobicContact CG-CB 4.38Å; Y344-H360 AromaticContact CZ-CD2 3.5Å; Y344-H360 PolarHBondContact OH-CD2 3.31Å; Y344-W361 PolarHBondContact OH-O 2.94Å; Y344-W361 VanDerWaalsContact OH-O 3.12Å
345	N	98.4	Very high	95.8	Very high	31 Å²	31	52.9 Å²	52.9	17%	0.166	27%	0.271	C	S	.	.			trans	-130	140.1	179.7	-56.5	-86	0	0	0	109.9	F316 F317 I318 G319 K341 T343	F316-N345 HydrophobicContact CE1-CB 4.16Å; F316-N345 WeakPolarHBondContact CE1-ND2 3.4Å; F316-N345 HydrophobicContact CZ-CB 4.35Å; F316-N345 VanDerWaalsContact CZ-CG 3.47Å; F316-N345 WeakPolarHBondContact CZ-ND2 3.49Å; F317-N345 WeakPolarHBondContact O-CB 3.47Å; F317-N345 PolarHBondContact O-ND2 2.94Å; I318-N345 HydrophobicContact CB-CB 4.31Å; I318-N345 HydrophobicContact CG1-CB 4.2Å; G319-N345 PolarHBondContact N-O 3.36Å; K341-N345 PolarHBondContact O-ND2 3.03Å; T343-N345 VanDerWaalsContact C-N 3.32Å; T343-N345 PolarHBondContact O-N 3.38Å
346	R	97.4	Very high	95.6	Very high	15 Å²	15	59.7 Å²	59.7	6%	0.057	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-127.9	158.8	170.5	72.2	163.1	-177.5	107.2	-8.1	112.9	D241 G319 E352 E356 P358	D241-R346 PolarHBondContact O-NH1 3.14Å; G319-R346 CarbonylContact O-C 3.38Å; G319-R346 VanDerWaalsContact O-CA 3.25Å; G319-R346 WeakPolarHBondContact O-CA 3.38Å; R346-E352 IonicContact CZ-OE1 2.61Å; R346-E352 IonicContact CZ-OE2 3.99Å; R346-E352 IonicContact NH1-OE1 2.73Å; R346-E352 IonicContact NH1-OE2 3.42Å; R346-E352 PolarHBondContact NH1-OE2 2.83Å; R346-E352 VanDerWaalsContact NH2-CD 3.35Å; R346-E352 IonicContact NH2-OE1 3.61Å; R346-E352 PolarHBondContact NH2-OE1 2.87Å; R346-E352 IonicContact NH2-OE2 3.91Å; R346-E352 PolarHBondContact NH2-OE2 2.9Å; R346-E356 PolarHBondContact NE-O 2.95Å; R346-E356 PolarHBondContact NH2-O 2.76Å; R346-P358 HydrophobicContact CB-CG 4.21Å; R346-P358 HydrophobicContact CG-CG 4.46Å
347	F	96.9	Very high	95.6	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.009	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.7	146.9	160.6	-63.2	-81.7	0	0	0	110.9	V227 L229 P243 A248 K251 I252 I318 G319	V227-F347 HydrophobicContact CG1-CE2 3.71Å; V227-F347 HydrophobicContact CG1-CZ 3.69Å; V227-F347 HydrophobicContact CG2-CZ 4.46Å; L229-F347 HydrophobicContact CD1-CD2 4.26Å; L229-F347 HydrophobicContact CD1-CE2 4.36Å; P243-F347 HydrophobicContact CB-CB 4.42Å; P243-F347 VanDerWaalsContact CD-CB 3.47Å; P243-F347 HydrophobicContact CG-CB 3.54Å; P243-F347 HydrophobicContact CG-CD1 4.14Å; P243-F347 HydrophobicContact CG-CG 3.86Å; A248-F347 HydrophobicContact CB-CE1 4.32Å; K251-F347 HydrophobicContact CB-CD1 4.03Å; K251-F347 HydrophobicContact CB-CE1 3.97Å; K251-F347 HydrophobicContact CG-CD1 3.79Å; K251-F347 HydrophobicContact CG-CE1 3.82Å; I252-F347 HydrophobicContact CD1-CE1 4.37Å; I252-F347 HydrophobicContact CD1-CZ 4.03Å; I252-F347 HydrophobicContact CG1-CE1 3.93Å; I252-F347 HydrophobicContact CG1-CZ 3.82Å; I318-F347 HydrophobicContact CD1-CD1 3.86Å; I318-F347 HydrophobicContact CD1-CD2 4.34Å; I318-F347 HydrophobicContact CD1-CE1 3.88Å; I318-F347 HydrophobicContact CD1-CE2 4.34Å; I318-F347 HydrophobicContact CD1-CG 4.08Å; I318-F347 HydrophobicContact CD1-CZ 4.12Å; I318-F347 HydrophobicContact CG1-CD2 4.11Å; I318-F347 HydrophobicContact CG1-CE1 4.46Å; I318-F347 HydrophobicContact CG1-CE2 4.04Å; I318-F347 HydrophobicContact CG1-CG 4.31Å; I318-F347 HydrophobicContact CG1-CZ 4.23Å; I318-F347 HydrophobicContact CG2-CE1 4.34Å; I318-F347 HydrophobicContact CG2-CE2 3.9Å; I318-F347 HydrophobicContact CG2-CZ 3.64Å; G319-F347 WeakPolarHBondContact O-CD2 3.35Å; G319-F347 PolarHBondContact O-N 3.12Å
348	C	95.2	Very high	95.6	Very high	47 Å²	47	64.4 Å²	64.4	32%	0.318	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-98.8	152.6	171.3	-49.6	0	0	0	0	109.1	P243 E352 C355	P243-C348 WeakPolarHBondContact CB-O 3.49Å; C348-E352 VanDerWaalsContact CA-OE2 3.27Å; C348-E352 WeakPolarHBondContact CA-OE2 3.48Å; C348-C355 WeakPolarHBondContact CA-SG 3.25Å; C348-C355 HydrophobicContact CB-CB 3.55Å; C348-C355 WeakPolarHBondContact CB-SG 3.31Å; C348-C355 WeakPolarHBondContact SG-CB 3.06Å; C348-C355 CovalentContact SG-SG 2.01Å; C348-C355 PolarHBondContact SG-SG 2.8Å
349	G	94.1	Very high	95.5	Very high	6 Å²	6	68 Å²	68	6%	0.062	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-61.9	150	166.4	0	0	0	0	0	111.3	D240 S351 E352	D240-G349 WeakPolarHBondContact O-CA 3.36Å; G349-S351 PolarHBondContact O-N 3.04Å; G349-S351 VanDerWaalsContact O-N 3.13Å; G349-E352 PolarHBondContact N-OE2 2.99Å; G349-E352 VanDerWaalsContact O-CB 3.3Å; G349-E352 WeakPolarHBondContact O-CB 3.23Å; G349-E352 PolarHBondContact O-N 2.92Å
350	D	92.3	Very high	95.4	Very high	98 Å²	98	68.7 Å²	68.7	52%	0.524	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.5	-173.7	-76	13.1	0	0	0	113	P243 S244	P243-D350 WeakPolarHBondContact CA-OD1 3.37Å; S244-D350 WeakPolarHBondContact CB-OD2 3.14Å; S244-D350 PolarHBondContact N-OD1 3.39Å; S244-D350 PolarHBondContact OG-OD2 3.32Å
351	S	91.6	Very high	95.2	Very high	117 Å²	117	72.6 Å²	72.6	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	9.3	178.5	-59.4	0	0	0	0	113.1	G349 K353	G349-S351 PolarHBondContact O-N 3.04Å; G349-S351 VanDerWaalsContact O-N 3.13Å; S351-K353 PolarHBondContact O-N 3.35Å
352	E	92.7	Very high	95.1	Very high	48 Å²	48	71 Å²	71	22%	0.224	35%	0.353	C	S	.	.			trans	-72.3	111.7	-175.5	-170.8	177.8	-170	0	0	111	R346 C348 G349 C355	R346-E352 IonicContact CZ-OE1 2.61Å; R346-E352 IonicContact CZ-OE2 3.99Å; R346-E352 IonicContact NH1-OE1 2.73Å; R346-E352 IonicContact NH1-OE2 3.42Å; R346-E352 PolarHBondContact NH1-OE2 2.83Å; R346-E352 VanDerWaalsContact NH2-CD 3.35Å; R346-E352 IonicContact NH2-OE1 3.61Å; R346-E352 PolarHBondContact NH2-OE1 2.87Å; R346-E352 IonicContact NH2-OE2 3.91Å; R346-E352 PolarHBondContact NH2-OE2 2.9Å; C348-E352 VanDerWaalsContact CA-OE2 3.27Å; C348-E352 WeakPolarHBondContact CA-OE2 3.48Å; G349-E352 PolarHBondContact N-OE2 2.99Å; G349-E352 VanDerWaalsContact O-CB 3.3Å; G349-E352 WeakPolarHBondContact O-CB 3.23Å; G349-E352 PolarHBondContact O-N 2.92Å; E352-C355 HydrophobicContact CG-CB 4.3Å
353	K	89.7	Confident	95	Very high	206 Å²	206	70.1 Å²	70.1	90%	0.896	35%	0.348	S	S	*	.	S	Bend	trans	-75.7	-35.9	-179.9	-64.5	-176.5	-178.4	177.3	0	112.9	S351	S351-K353 PolarHBondContact O-N 3.35Å
354	K	91.6	Very high	94.9	Very high	190 Å²	190	73.2 Å²	73.2	83%	0.826	37%	0.367	S	S	*	.			trans	-118	81.9	-176.7	-70.1	-173.9	179.8	-178.4	0	109.6	E356	K354-E356 PolarHBondContact O-N 3.01Å; K354-E356 VanDerWaalsContact O-N 3.16Å
355	C	91.9	Very high	94.6	Very high	30 Å²	30	75.8 Å²	75.8	20%	0.203	38%	0.377	C	S	.	.			trans	-87.2	79.7	179.2	-178.8	0	0	0	0	111.3	C348 E352 Q357	C348-C355 WeakPolarHBondContact CA-SG 3.25Å; C348-C355 HydrophobicContact CB-CB 3.55Å; C348-C355 WeakPolarHBondContact CB-SG 3.31Å; C348-C355 WeakPolarHBondContact SG-CB 3.06Å; C348-C355 CovalentContact SG-SG 2.01Å; C348-C355 PolarHBondContact SG-SG 2.8Å; E352-C355 HydrophobicContact CG-CB 4.3Å; C355-Q357 PolarHBondContact O-N 2.7Å; C355-Q357 PolarHBondContact O-NE2 3.17Å; C355-Q357 PolarHBondContact SG-NE2 3.4Å
356	E	94.8	Very high	94.4	Very high	151 Å²	151	78.1 Å²	78.1	71%	0.706	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-59.4	131.2	173.8	-173.4	170.9	-174.6	0	0	110.4	R346 K354	R346-E356 PolarHBondContact NE-O 2.95Å; R346-E356 PolarHBondContact NH2-O 2.76Å; K354-E356 PolarHBondContact O-N 3.01Å; K354-E356 VanDerWaalsContact O-N 3.16Å
357	Q	96.5	Very high	94.2	Very high	76 Å²	76	81.4 Å²	81.4	36%	0.355	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-87.2	154.5	178.8	-65.6	-56.1	-69.6	0	0	110.7	C355 T359	C355-Q357 PolarHBondContact O-N 2.7Å; C355-Q357 PolarHBondContact O-NE2 3.17Å; C355-Q357 PolarHBondContact SG-NE2 3.4Å; Q357-T359 PolarHBondContact O-N 3.46Å
358	P	96.3	Very high	94.1	Very high	30 Å²	30	85.8 Å²	85.8	20%	0.195	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-57	139.7	179.2	-22.3	33.6	0	0	0	112	Y344 R346	Y344-P358 HydrophobicContact CD1-CB 4.42Å; R346-P358 HydrophobicContact CB-CG 4.21Å; R346-P358 HydrophobicContact CG-CG 4.46Å
359	T	96.4	Very high	94	Very high	77 Å²	77	88.1 Å²	88.1	47%	0.472	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-62.6	135.3	175.9	-54.9	0	0	0	0	111.2	Y344 Q357 W361	Y344-T359 VanDerWaalsContact CD1-O 3.24Å; Y344-T359 WeakPolarHBondContact CD1-O 3.41Å; Y344-T359 WeakPolarHBondContact CE1-O 3.33Å; Q357-T359 PolarHBondContact O-N 3.46Å; T359-W361 HydrophobicContact CG2-CD2 4.16Å; T359-W361 HydrophobicContact CG2-CH2 4.42Å; T359-W361 HydrophobicContact CG2-CZ2 3.89Å; T359-W361 PolarHBondContact O-N 3.03Å
360	H	96.6	Very high	94	Very high	79 Å²	79	93.2 Å²	93.2	37%	0.366	46%	0.456	S	S	.	.			trans	-75.9	104.6	169	174.3	-158.8	0	0	0	110	E334 P340 Y344	E334-H360 IonicContact OE1-CD2 2.66Å; E334-H360 IonicContact OE1-CE1 2.88Å; E334-H360 IonicContact OE1-NE2 3.3Å; E334-H360 PolarHBondContact OE1-NE2 3.14Å; E334-H360 IonicContact OE2-CD2 3.57Å; E334-H360 IonicContact OE2-NE2 3.51Å; E334-H360 PolarHBondContact OE2-NE2 3.07Å; P340-H360 WeakPolarHBondContact CG-CE1 3.44Å; Y344-H360 HydrophobicContact CD2-CB 4.01Å; Y344-H360 AromaticContact CD2-CD2 3.99Å; Y344-H360 HydrophobicContact CE2-CB 4.08Å; Y344-H360 AromaticContact CE2-CD2 3.21Å; Y344-H360 WeakPolarHBondContact CE2-CD2 3.36Å; Y344-H360 AromaticContact CE2-CG 3.82Å; Y344-H360 AromaticContact CE2-NE2 3.97Å; Y344-H360 HydrophobicContact CG-CB 4.38Å; Y344-H360 AromaticContact CZ-CD2 3.5Å; Y344-H360 PolarHBondContact OH-CD2 3.31Å
361	W	94.4	Very high	94.1	Very high	112 Å²	112	92.9 Å²	92.9	42%	0.424	45%	0.452	S	S	.	.			trans	-91.3	102.4	168.8	-62.2	109.3	0	0	0	109.3	Y164 A165 W170 Y344 T359	Y164-W361 HydrophobicContact CD1-CD2 4.06Å; Y164-W361 HydrophobicContact CD1-CE3 4.16Å; Y164-W361 HydrophobicContact CD1-CH2 4.33Å; Y164-W361 HydrophobicContact CD1-CZ2 4.23Å; Y164-W361 HydrophobicContact CD1-CZ3 4.29Å; Y164-W361 AromaticContact CE1-CD1 3.86Å; Y164-W361 AromaticContact CE1-CD2 3.66Å; Y164-W361 HydrophobicContact CE1-CD2 3.66Å; Y164-W361 AromaticContact CE1-CE2 3.62Å; Y164-W361 HydrophobicContact CE1-CE3 4.22Å; Y164-W361 AromaticContact CE1-CG 3.82Å; Y164-W361 HydrophobicContact CE1-CG 3.82Å; Y164-W361 HydrophobicContact CE1-CZ2 4.14Å; Y164-W361 AromaticContact CE1-NE1 3.72Å; A165-W361 HydrophobicContact CB-CB 3.99Å; A165-W361 HydrophobicContact CB-CD2 4.16Å; A165-W361 HydrophobicContact CB-CE3 3.61Å; A165-W361 HydrophobicContact CB-CG 4.34Å; A165-W361 HydrophobicContact CB-CZ3 4.43Å; W170-W361 VanDerWaalsContact CZ2-O 3.31Å; W170-W361 WeakPolarHBondContact CZ2-O 3.3Å; Y344-W361 PolarHBondContact OH-O 2.94Å; Y344-W361 VanDerWaalsContact OH-O 3.12Å; T359-W361 HydrophobicContact CG2-CD2 4.16Å; T359-W361 HydrophobicContact CG2-CH2 4.42Å; T359-W361 HydrophobicContact CG2-CZ2 3.89Å; T359-W361 PolarHBondContact O-N 3.03Å
362	K	96.2	Very high	94.3	Very high	130 Å²	130	91.1 Å²	91.1	57%	0.565	43%	0.426	S	S	*	.			trans	-72.9	136.2	-175.2	-173.7	-178.4	174.1	-176.4	0	111.9	W170 E334	W170-K362 PolarHBondContact NE1-O 3.2Å; E334-K362 WeakPolarHBondContact OE1-CA 3.41Å
363	I	96.2	Very high	94.4	Very high	10 Å²	10	94.5 Å²	94.5	5%	0.051	44%	0.441	C	S	.	.			trans	-62.1	138	172.3	-171.5	158.4	0	0	0	112.8	W170 R174 E334 I335 Y365	W170-I363 HydrophobicContact CB-CG1 4.35Å; W170-I363 HydrophobicContact CD2-CB 4.01Å; W170-I363 HydrophobicContact CD2-CD1 4.3Å; W170-I363 HydrophobicContact CD2-CG1 3.75Å; W170-I363 VanDerWaalsContact CE2-CA 3.45Å; W170-I363 HydrophobicContact CE3-CB 4.18Å; W170-I363 HydrophobicContact CE3-CD1 3.82Å; W170-I363 HydrophobicContact CE3-CG1 3.8Å; W170-I363 HydrophobicContact CG-CG1 3.99Å; W170-I363 HydrophobicContact CH2-CB 4.37Å; W170-I363 HydrophobicContact CZ2-CB 4.23Å; W170-I363 HydrophobicContact CZ3-CB 4.35Å; W170-I363 HydrophobicContact CZ3-CD1 4.18Å; W170-I363 HydrophobicContact CZ3-CG1 4.35Å; R174-I363 HydrophobicContact CG-CD1 4.06Å; E334-I363 HydrophobicContact CG-CB 3.78Å; E334-I363 HydrophobicContact CG-CG2 3.9Å; E334-I363 PolarHBondContact OE1-N 3.48Å; I335-I363 HydrophobicContact CG1-CD1 3.91Å; I363-Y365 HydrophobicContact CD1-CE1 3.74Å; I363-Y365 HydrophobicContact CD1-CE2 4.47Å; I363-Y365 HydrophobicContact CG1-CD1 4.48Å; I363-Y365 HydrophobicContact CG1-CE1 4.09Å; I363-Y365 HydrophobicContact CG1-CE2 4.25Å; I363-Y365 HydrophobicContact CG2-CE2 3.86Å
364	V	95.5	Very high	94.8	Very high	65 Å²	65	85.2 Å²	85.2	39%	0.394	40%	0.403	S	S	.	.			trans	-121.1	126.5	175.2	-175.3	0	0	0	0	108.6	K167 W170	K167-V364 HydrophobicContact CB-CG1 4.05Å; W170-V364 WeakPolarHBondContact CB-O 3.41Å; W170-V364 VanDerWaalsContact CD1-N 3.33Å
365	Y	91.2	Very high	95.1	Very high	72 Å²	72	75.6 Å²	75.6	28%	0.282	37%	0.365	S	S	.	.			trans	-100.4	0	-174.5	-69	-71.7	0	0	0	114.5	K167 M212 K213 S214 I363	K167-Y365 WeakPolarHBondContact CE-OXT 3.45Å; M212-Y365 WeakPolarHBondContact O-CE1 3.38Å; K213-Y365 HydrophobicContact CB-CD1 4.39Å; K213-Y365 HydrophobicContact CB-CE1 4.23Å; K213-Y365 HydrophobicContact CD-CD1 4.35Å; K213-Y365 HydrophobicContact CD-CG 4.32Å; K213-Y365 HydrophobicContact CG-CD1 3.77Å; K213-Y365 HydrophobicContact CG-CE1 4Å; K213-Y365 HydrophobicContact CG-CG 4.15Å; S214-Y365 PolarHBondContact N-OH 2.91Å; I363-Y365 HydrophobicContact CD1-CE1 3.74Å; I363-Y365 HydrophobicContact CD1-CE2 4.47Å; I363-Y365 HydrophobicContact CG1-CD1 4.48Å; I363-Y365 HydrophobicContact CG1-CE1 4.09Å; I363-Y365 HydrophobicContact CG1-CE2 4.25Å; I363-Y365 HydrophobicContact CG2-CE2 3.86Å

Retrieved 365 of 365 residues in 2927.8 ms (Link to these results)

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