MTNN_STAA8 Loading...

5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase

Catalyzes the irreversible cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH/AdoHcy) to adenine and the corresponding thioribose, 5'-methylthioribose and S-ribosylhomocysteine, respectively. Also cleaves 5'-deoxyadenosine, a toxic by-product of radical S-adenosylmethionine (SAM) enzymes, into 5-deoxyribose and adenine.

AlphaFold DB , UniProt , Accession Q2FXX8, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene mtnN, Length 228 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	96.4	Very high	97.3	Very high	60 Å²	60	26.5 Å²	26.5	30%	0.296	13%	0.128	S	C	.	.				0	140.6	0	-178.4	173.9	-72.3	0	0	110.3	E41 V43 F65 P67 D68	M1-E41 CarbonylContact C-O 3.56Å; M1-E41 VanDerWaalsContact CA-O 3.31Å; M1-E41 WeakPolarHBondContact CA-O 3.31Å; M1-E41 HydrophobicContact CB-CB 4.43Å; M1-E41 HydrophobicContact CE-CB 4.17Å; M1-E41 HydrophobicContact CG-CB 4.36Å; M1-V43 HydrophobicContact CG-CG1 4.45Å; M1-V43 HydrophobicContact SD-CB 4.29Å; M1-V43 HydrophobicContact SD-CG1 4.11Å; M1-F65 HydrophobicContact SD-CB 3.91Å; M1-F65 HydrophobicContact SD-CD1 4.43Å; M1-P67 CarbonylContact O-C 3.51Å; M1-P67 VanDerWaalsContact O-CA 3.3Å; M1-P67 WeakPolarHBondContact O-CA 3.46Å; M1-D68 PolarHBondContact N-OD2 3.36Å; M1-D68 PolarHBondContact O-N 3.18Å
2	I	98.8	Very high	97.3	Very high	13 Å²	13	24.3 Å²	24.3	7%	0.067	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.3	178.7	-60.8	159.3	0	0	0	109.9	I4 R40 E41 V42 V43 V69 I71 V225 L228	I2-I4 HydrophobicContact CG2-CG1 4.16Å; I2-R40 HydrophobicContact CD1-CB 4.04Å; I2-R40 HydrophobicContact CD1-CG 4.29Å; I2-E41 PolarHBondContact N-O 2.62Å; I2-V42 HydrophobicContact CB-CG1 4.14Å; I2-V42 HydrophobicContact CD1-CG1 4.48Å; I2-V42 CarbonylContact O-C 3.56Å; I2-V42 VanDerWaalsContact O-CA 3.26Å; I2-V42 WeakPolarHBondContact O-CA 3.45Å; I2-V43 PolarHBondContact O-N 2.94Å; I2-V69 HydrophobicContact CB-CG2 4.49Å; I2-V69 HydrophobicContact CG1-CG2 4.18Å; I2-V69 HydrophobicContact CG2-CG2 4.11Å; I2-I71 HydrophobicContact CG2-CD1 3.56Å; I2-I71 HydrophobicContact CG2-CG1 4.33Å; I2-V225 HydrophobicContact CD1-CB 4.45Å; I2-V225 HydrophobicContact CD1-CG1 3.99Å; I2-V225 HydrophobicContact CD1-CG2 4.31Å; I2-V225 HydrophobicContact CG2-CG2 4.5Å; I2-L228 HydrophobicContact CD1-CB 3.79Å; I2-L228 HydrophobicContact CD1-CD1 3.77Å; I2-L228 HydrophobicContact CD1-CG 4.42Å; I2-L228 HydrophobicContact CG1-CD1 4.09Å; I2-L228 HydrophobicContact CG2-CD1 4.35Å
3	G	98.9	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132	171.1	0	0	0	0	0	111.3	V43 V69 I70 I71	G3-V43 CarbonylContact C-O 3.56Å; G3-V43 WeakPolarHBondContact CA-O 3.46Å; G3-V69 PolarHBondContact N-O 3.41Å; G3-I70 CarbonylContact O-C 3.5Å; G3-I70 WeakPolarHBondContact O-CA 3.33Å; G3-I71 PolarHBondContact O-N 3.47Å
4	I	98.9	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.5	175.4	-55.6	173.3	0	0	0	108.5	I2 L15 L37 V43 I44 T45 I71 T73 V221 V225	I2-I4 HydrophobicContact CG2-CG1 4.16Å; I4-L15 HydrophobicContact CD1-CD1 4.33Å; I4-L15 HydrophobicContact CG2-CD1 3.91Å; I4-L37 HydrophobicContact CD1-CD2 4.41Å; I4-V43 PolarHBondContact N-O 3.34Å; I4-I44 HydrophobicContact CB-CG1 4.2Å; I4-I44 HydrophobicContact CD1-CG1 4.26Å; I4-I44 CarbonylContact O-C 3.57Å; I4-I44 WeakPolarHBondContact O-CA 3.36Å; I4-T45 PolarHBondContact O-N 2.83Å; I4-I71 CarbonylContact C-O 3.57Å; I4-I71 VanDerWaalsContact CA-O 3.31Å; I4-I71 WeakPolarHBondContact CA-O 3.47Å; I4-I71 HydrophobicContact CG1-CD1 4.39Å; I4-T73 HydrophobicContact CG2-CG2 3.98Å; I4-V221 HydrophobicContact CD1-CG1 3.86Å; I4-V221 HydrophobicContact CG1-CG1 4.32Å; I4-V221 HydrophobicContact CG2-CG1 4.14Å; I4-V225 HydrophobicContact CD1-CG2 3.97Å
5	I	98.8	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.5	-175	-49.9	-171.4	0	0	0	109.4	T45 T58 L61 I70 I71 N72 T73 I177	I5-T45 HydrophobicContact CB-CG2 4Å; I5-T45 HydrophobicContact CD1-CG2 4.37Å; I5-T45 HydrophobicContact CG1-CG2 3.73Å; I5-T45 HydrophobicContact CG2-CG2 3.79Å; I5-T58 HydrophobicContact CD1-CG2 3.99Å; I5-T58 WeakPolarHBondContact CD1-OG1 3.41Å; I5-L61 HydrophobicContact CD1-CD1 4.2Å; I5-L61 HydrophobicContact CG1-CD1 3.97Å; I5-I70 HydrophobicContact CD1-CG2 3.77Å; I5-I70 HydrophobicContact CG1-CG2 4.06Å; I5-I71 PolarHBondContact N-O 2.78Å; I5-N72 CarbonylContact O-C 3.55Å; I5-N72 WeakPolarHBondContact O-CA 3.32Å; I5-N72 PolarHBondContact O-ND2 3.4Å; I5-T73 PolarHBondContact O-N 3.5Å; I5-I177 HydrophobicContact CB-CD1 4.13Å; I5-I177 HydrophobicContact CD1-CG2 4Å; I5-I177 HydrophobicContact CG2-CD1 3.67Å; I5-I177 HydrophobicContact CG2-CG1 4.43Å
6	G	98.5	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.3	166.4	0	0	0	0	0	110.3	T45 Q46 S47	G6-T45 PolarHBondContact N-O 2.91Å; G6-Q46 CarbonylContact O-C 3.45Å; G6-Q46 VanDerWaalsContact O-CA 3.3Å; G6-Q46 WeakPolarHBondContact O-CA 3.42Å; G6-S47 PolarHBondContact O-N 2.82Å; G6-S47 PolarHBondContact O-OG 2.9Å
7	A	97.6	Very high	97.4	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	16%	0.156	C	C	.	.	S	Bend	trans	-77.1	-41	-178.4	0	0	0	0	0	111.9	E11 Q46 S47 G48 I49 E173	A7-E11 WeakPolarHBondContact CA-OE2 3.13Å; A7-E11 WeakPolarHBondContact CB-OE2 3.3Å; A7-E11 PolarHBondContact N-OE2 3.45Å; A7-Q46 WeakPolarHBondContact O-CG 3.48Å; A7-S47 WeakPolarHBondContact CA-OG 3.49Å; A7-G48 CarbonylContact O-C 3.52Å; A7-G48 VanDerWaalsContact O-CA 3.24Å; A7-G48 WeakPolarHBondContact O-CA 3.3Å; A7-G48 PolarHBondContact O-N 2.79Å; A7-I49 HydrophobicContact CB-CG1 4.31Å; A7-E173 HydrophobicContact CB-CG 3.8Å
8	M	95.7	Very high	97.5	Very high	34 Å²	34	33.9 Å²	33.9	17%	0.167	17%	0.167	C	C	.	.	S	Bend	trans	-113.1	163.4	-170.9	-60.1	178.8	63.7	0	0	112.9	E10 E11 V12 I49 F206 L210	M8-E10 VanDerWaalsContact C-N 3.33Å; M8-E10 WeakPolarHBondContact CB-OE2 3.48Å; M8-E10 PolarHBondContact O-N 3.12Å; M8-E11 HydrophobicContact CB-CG 4.18Å; M8-E11 PolarHBondContact N-OE2 2.62Å; M8-E11 PolarHBondContact O-N 2.97Å; M8-V12 PolarHBondContact O-N 3.44Å; M8-I49 HydrophobicContact CG-CD1 3.86Å; M8-I49 HydrophobicContact CG-CG1 3.83Å; M8-I49 HydrophobicContact SD-CD1 3.91Å; M8-I49 HydrophobicContact SD-CG1 4.39Å; M8-F206 HydrophobicContact CE-CZ 4.19Å; M8-F206 HydrophobicContact SD-CZ 3.81Å; M8-L210 HydrophobicContact CE-CD2 3.63Å; M8-L210 HydrophobicContact SD-CD2 4.2Å
9	E	94.9	Very high	97.5	Very high	95 Å²	95	33.1 Å²	33.1	44%	0.444	16%	0.163	S	C	.	.	H	α-helix	trans	-65.7	-39.4	-178.6	-178.6	164.6	-171.3	0	0	111.3	E11 V12 T13	E9-E11 PolarHBondContact O-N 3.28Å; E9-V12 WeakPolarHBondContact O-CG2 3.38Å; E9-V12 PolarHBondContact O-N 3.43Å; E9-T13 WeakPolarHBondContact CG-OG1 3.37Å; E9-T13 WeakPolarHBondContact O-CB 3.3Å; E9-T13 PolarHBondContact O-N 2.92Å; E9-T13 PolarHBondContact O-OG1 2.66Å
10	E	95.2	Very high	97.5	Very high	85 Å²	85	35.6 Å²	35.6	40%	0.397	18%	0.18	S	C	.	.	H	α-helix	trans	-58.4	-36.7	177.5	-62	85	167.4	0	0	111.4	M8 L210	M8-E10 VanDerWaalsContact C-N 3.33Å; M8-E10 WeakPolarHBondContact CB-OE2 3.48Å; M8-E10 PolarHBondContact O-N 3.12Å; E10-L210 HydrophobicContact CB-CD2 4.19Å; E10-L210 HydrophobicContact CB-CG 4.34Å; E10-L210 HydrophobicContact CG-CD2 4.05Å
11	E	96.4	Very high	97.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-76.4	-27.1	-179	-60.9	177.2	144.4	0	0	112.9	A7 M8 E9 G74 S75 R192	A7-E11 WeakPolarHBondContact CA-OE2 3.13Å; A7-E11 WeakPolarHBondContact CB-OE2 3.3Å; A7-E11 PolarHBondContact N-OE2 3.45Å; M8-E11 HydrophobicContact CB-CG 4.18Å; M8-E11 PolarHBondContact N-OE2 2.62Å; M8-E11 PolarHBondContact O-N 2.97Å; E9-E11 PolarHBondContact O-N 3.28Å; E11-G74 WeakPolarHBondContact OE1-CA 3.38Å; E11-S75 PolarHBondContact OE1-N 2.97Å; E11-R192 IonicContact OE1-NH2 3.7Å; E11-R192 PolarHBondContact OE1-NH2 3.34Å
12	V	97.3	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-100.2	-28.9	-176.8	-59	0	0	0	0	113.3	M8 E9 I14 L15 K16 I44 T45 Q46	M8-V12 PolarHBondContact O-N 3.44Å; E9-V12 WeakPolarHBondContact O-CG2 3.38Å; E9-V12 PolarHBondContact O-N 3.43Å; V12-I14 VanDerWaalsContact C-N 3.3Å; V12-I14 PolarHBondContact O-N 3.41Å; V12-L15 PolarHBondContact O-N 2.96Å; V12-K16 WeakPolarHBondContact O-CB 3.26Å; V12-K16 PolarHBondContact O-N 3.03Å; V12-I44 HydrophobicContact CB-CG2 3.92Å; V12-I44 HydrophobicContact CG1-CG2 4.1Å; V12-T45 WeakPolarHBondContact CG1-O 3.31Å; V12-Q46 HydrophobicContact CG1-CB 4.4Å; V12-Q46 HydrophobicContact CG2-CB 4.18Å
13	T	97.2	Very high	97.5	Very high	37 Å²	37	45.6 Å²	45.6	23%	0.227	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-35.8	-169.6	-68.2	0	0	0	0	112.1	E9 L15 K16 N17	E9-T13 WeakPolarHBondContact CG-OG1 3.37Å; E9-T13 WeakPolarHBondContact O-CB 3.3Å; E9-T13 PolarHBondContact O-N 2.92Å; E9-T13 PolarHBondContact O-OG1 2.66Å; T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 2.83Å; T13-K16 PolarHBondContact O-N 2.89Å; T13-N17 WeakPolarHBondContact CG2-ND2 3.29Å; T13-N17 WeakPolarHBondContact O-CB 3.42Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 PolarHBondContact O-ND2 2.91Å
14	I	97.6	Very high	97.4	Very high	44 Å²	44	50.4 Å²	50.4	23%	0.226	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-45.5	178.9	-60.5	172.2	0	0	0	111.1	V12 K18 A214 V215	V12-I14 VanDerWaalsContact C-N 3.3Å; V12-I14 PolarHBondContact O-N 3.41Å; I14-K18 WeakPolarHBondContact O-CG 3.34Å; I14-A214 HydrophobicContact CD1-CB 3.96Å; I14-V215 HydrophobicContact CD1-CB 4.37Å; I14-V215 HydrophobicContact CD1-CG2 3.74Å
15	L	98.2	Very high	97.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-76.9	-41.7	179.4	-67.8	174.2	0	0	0	111.7	I4 V12 T13 N17 K18 L37 I44 S218 V221 E222	I4-L15 HydrophobicContact CD1-CD1 4.33Å; I4-L15 HydrophobicContact CG2-CD1 3.91Å; V12-L15 PolarHBondContact O-N 2.96Å; T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 2.83Å; L15-N17 VanDerWaalsContact C-N 3.29Å; L15-N17 PolarHBondContact O-N 3.29Å; L15-K18 WeakPolarHBondContact O-CB 3.33Å; L15-K18 PolarHBondContact O-N 2.88Å; L15-L37 HydrophobicContact CD2-CD2 4.12Å; L15-I44 HydrophobicContact CB-CD1 3.57Å; L15-S218 WeakPolarHBondContact CD2-O 3.3Å; L15-V221 HydrophobicContact CD1-CB 4.16Å; L15-V221 HydrophobicContact CD1-CG1 3.73Å; L15-E222 HydrophobicContact CD2-CB 3.9Å
16	K	97.8	Very high	97.1	Very high	37 Å²	37	56.8 Å²	56.8	16%	0.161	30%	0.297	C	S	.	.	H	α-helix	trans	-52.7	-46.3	174.8	172.9	-167.1	166.9	177.9	0	111.6	V12 T13 K18 L19 Y33	V12-K16 WeakPolarHBondContact O-CB 3.26Å; V12-K16 PolarHBondContact O-N 3.03Å; T13-K16 PolarHBondContact O-N 2.89Å; K16-K18 PolarHBondContact O-N 2.86Å; K16-K18 VanDerWaalsContact O-N 3.13Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 WeakPolarHBondContact O-CG 3.35Å; K16-L19 PolarHBondContact O-N 3.4Å; K16-Y33 HydrophobicContact CD-CD1 3.89Å; K16-Y33 HydrophobicContact CD-CD2 4.11Å; K16-Y33 HydrophobicContact CD-CE1 3.69Å; K16-Y33 HydrophobicContact CD-CE2 3.93Å; K16-Y33 HydrophobicContact CD-CG 4.07Å; K16-Y33 HydrophobicContact CG-CD1 4.1Å; K16-Y33 HydrophobicContact CG-CD2 4.28Å; K16-Y33 HydrophobicContact CG-CE1 4.4Å; K16-Y33 HydrophobicContact CG-CG 4.01Å; K16-Y33 PolarHBondContact NZ-OH 3.48Å
17	N	98	Very high	96.9	Very high	119 Å²	119	59.3 Å²	59.3	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.1	-178	-71.3	-12.4	0	0	0	113.6	T13 L15	T13-N17 WeakPolarHBondContact CG2-ND2 3.29Å; T13-N17 WeakPolarHBondContact O-CB 3.42Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 PolarHBondContact O-ND2 2.91Å; L15-N17 VanDerWaalsContact C-N 3.29Å; L15-N17 PolarHBondContact O-N 3.29Å
18	K	98	Very high	96.7	Very high	82 Å²	82	63.4 Å²	63.4	36%	0.357	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.9	175.4	-64.9	175.5	-179.6	176.6	0	113	I14 L15 K16 L37 E222	I14-K18 WeakPolarHBondContact O-CG 3.34Å; L15-K18 WeakPolarHBondContact O-CB 3.33Å; L15-K18 PolarHBondContact O-N 2.88Å; K16-K18 PolarHBondContact O-N 2.86Å; K16-K18 VanDerWaalsContact O-N 3.13Å; K18-L37 HydrophobicContact CB-CD1 3.66Å; K18-E222 WeakPolarHBondContact CD-OE2 3.47Å; K18-E222 IonicContact NZ-OE1 2.75Å; K18-E222 IonicContact NZ-OE2 3.75Å; K18-E222 PolarHBondContact NZ-OE2 3.29Å
19	L	98.5	Very high	96.5	Very high	18 Å²	18	65.8 Å²	65.8	9%	0.094	36%	0.357	C	S	.	.			trans	-69.9	133.3	177.1	-63.6	-175.8	0	0	0	111.1	K16 L22 L37 V42 I44	K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 WeakPolarHBondContact O-CG 3.35Å; K16-L19 PolarHBondContact O-N 3.4Å; L19-L22 HydrophobicContact CB-CB 4.44Å; L19-L22 HydrophobicContact CB-CD1 4.31Å; L19-L22 HydrophobicContact CD1-CD1 3.74Å; L19-L37 HydrophobicContact CD2-CB 3.84Å; L19-V42 HydrophobicContact CD2-CG2 3.27Å; L19-I44 HydrophobicContact CD1-CD1 3.86Å; L19-I44 HydrophobicContact CD1-CG1 4.35Å; L19-I44 HydrophobicContact CD2-CD1 3.99Å; L19-I44 HydrophobicContact CG-CD1 4.03Å
20	T	98.2	Very high	96.6	Very high	82 Å²	82	61.3 Å²	61.3	50%	0.503	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	155.8	161.2	66.7	0	0	0	0	109.4	L22 G35 I36	T20-L22 PolarHBondContact O-N 2.84Å; T20-G35 CarbonylContact O-C 3.53Å; T20-G35 WeakPolarHBondContact O-CA 3.47Å; T20-I36 PolarHBondContact N-O 2.9Å; T20-I36 PolarHBondContact O-N 3.36Å; T20-I36 WeakPolarHBondContact OG1-CB 3.35Å; T20-I36 PolarHBondContact OG1-O 2.91Å
21	Q	97.2	Very high	96.5	Very high	167 Å²	167	60.8 Å²	60.8	78%	0.78	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.7	38.1	-173.7	-51.3	-175.6	12.1	0	0	113.1	S23	Q21-S23 PolarHBondContact O-N 2.95Å
22	L	97.8	Very high	96.6	Very high	84 Å²	84	60.7 Å²	60.7	44%	0.44	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	126.8	-178.7	176.4	64.1	0	0	0	111.2	L19 T20 Y33 T34	L19-L22 HydrophobicContact CB-CB 4.44Å; L19-L22 HydrophobicContact CB-CD1 4.31Å; L19-L22 HydrophobicContact CD1-CD1 3.74Å; T20-L22 PolarHBondContact O-N 2.84Å; L22-Y33 HydrophobicContact CD1-CD1 4.16Å; L22-Y33 HydrophobicContact CD1-CG 4.44Å; L22-T34 CarbonylContact C-O 3.53Å; L22-T34 WeakPolarHBondContact CA-O 3.44Å
23	S	97.9	Very high	96.7	Very high	69 Å²	69	60.9 Å²	60.9	48%	0.483	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144	166.2	-173.2	0	0	0	0	109.5	Q21 Y33 T34	Q21-S23 PolarHBondContact O-N 2.95Å; S23-Y33 CarbonylContact O-C 3.59Å; S23-Y33 WeakPolarHBondContact O-CA 3.49Å; S23-T34 WeakPolarHBondContact CB-OG1 3.37Å; S23-T34 PolarHBondContact N-O 3.24Å; S23-T34 PolarHBondContact O-N 2.63Å
24	E	96.8	Very high	96.7	Very high	100 Å²	100	60.5 Å²	60.5	47%	0.467	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.4	-178.5	-176.9	176.1	161.4	0	0	110.3	F32 Y33	E24-F32 VanDerWaalsContact CA-O 3.32Å; E24-F32 WeakPolarHBondContact CA-O 3.32Å; E24-Y33 HydrophobicContact CB-CD1 4.19Å; E24-Y33 HydrophobicContact CB-CE1 4.41Å; E24-Y33 HydrophobicContact CG-CD1 3.99Å; E24-Y33 HydrophobicContact CG-CE1 3.83Å; E24-Y33 WeakPolarHBondContact OE2-CE1 2.89Å
25	I	95.1	Very high	96.8	Very high	64 Å²	64	58.9 Å²	58.9	33%	0.328	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138	170.1	-176.3	173.7	0	0	0	109.7	V27 F32 F65	I25-V27 HydrophobicContact CG1-CG2 4.48Å; I25-F32 HydrophobicContact CG2-CB 3.81Å; I25-F32 HydrophobicContact CG2-CD2 4.29Å; I25-F32 HydrophobicContact CG2-CG 4.48Å; I25-F32 PolarHBondContact N-O 3.22Å; I25-F32 PolarHBondContact O-N 2.9Å; I25-F65 HydrophobicContact CG2-CZ 3.82Å
26	S	94.9	Very high	96.8	Very high	71 Å²	71	60.5 Å²	60.5	50%	0.497	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.3	176.6	-59.7	0	0	0	0	110.8	V30	S26-V30 VanDerWaalsContact CA-O 3.29Å; S26-V30 WeakPolarHBondContact CA-O 3.33Å
27	V	94.2	Very high	96.8	Very high	53 Å²	53	58.9 Å²	58.9	32%	0.321	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122.5	173.1	-175.6	0	0	0	0	108	I25 H29 V30 F32 L60	I25-V27 HydrophobicContact CG1-CG2 4.48Å; V27-H29 PolarHBondContact O-N 3.37Å; V27-V30 PolarHBondContact N-O 2.8Å; V27-V30 WeakPolarHBondContact O-CB 3.31Å; V27-V30 PolarHBondContact O-N 3.29Å; V27-F32 HydrophobicContact CB-CE2 4.28Å; V27-F32 HydrophobicContact CG2-CE2 4.4Å; V27-L60 HydrophobicContact CB-CD1 4.34Å; V27-L60 HydrophobicContact CG1-CD1 4.09Å; V27-L60 HydrophobicContact CG1-CD2 4.07Å
28	A	94.1	Very high	96.7	Very high	88 Å²	88	58 Å²	58	73%	0.727	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	-128.6	-168.2	0	0	0	0	0	111.4	V30	A28-V30 VanDerWaalsContact C-N 3.29Å
29	H	92.2	Very high	96.7	Very high	85 Å²	85	61.5 Å²	61.5	39%	0.394	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-4	175.9	71.2	-73.3	0	0	0	113.5	V27 S47	V27-H29 PolarHBondContact O-N 3.37Å; H29-S47 PolarHBondContact CD2-O 2.81Å; H29-S47 PolarHBondContact NE2-O 2.83Å
30	V	95	Very high	96.6	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.4	-165.2	-168	0	0	0	0	110.5	S26 V27 A28 F32 T45 I56 S57 L60	S26-V30 VanDerWaalsContact CA-O 3.29Å; S26-V30 WeakPolarHBondContact CA-O 3.33Å; V27-V30 PolarHBondContact N-O 2.8Å; V27-V30 WeakPolarHBondContact O-CB 3.31Å; V27-V30 PolarHBondContact O-N 3.29Å; A28-V30 VanDerWaalsContact C-N 3.29Å; V30-F32 HydrophobicContact CB-CE2 4.04Å; V30-F32 HydrophobicContact CB-CZ 4.05Å; V30-F32 HydrophobicContact CG1-CD1 4.42Å; V30-F32 HydrophobicContact CG1-CD2 4.41Å; V30-F32 HydrophobicContact CG1-CE1 3.75Å; V30-F32 HydrophobicContact CG1-CE2 3.75Å; V30-F32 HydrophobicContact CG1-CZ 3.38Å; V30-T45 WeakPolarHBondContact CG1-OG1 3.42Å; V30-I56 HydrophobicContact CG2-CG2 4.47Å; V30-S57 WeakPolarHBondContact CG2-OG 3.28Å; V30-L60 HydrophobicContact CB-CD1 4.43Å; V30-L60 HydrophobicContact CG2-CD1 3.97Å
31	K	94.9	Very high	96.7	Very high	74 Å²	74	67.7 Å²	67.7	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124	173.2	-64.1	-178.5	-176.4	173.1	0	109.9	Y33 T45 Q46	K31-Y33 HydrophobicContact CB-CE2 4.19Å; K31-T45 VanDerWaalsContact O-CA 3.32Å; K31-T45 WeakPolarHBondContact O-CA 3.32Å; K31-T45 PolarHBondContact O-OG1 2.8Å; K31-Q46 PolarHBondContact O-N 3.14Å
32	F	97.6	Very high	96.7	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.3	174.3	-59.4	-76.3	0	0	0	110.4	E24 I25 V27 V30 V43 I44 T45 L60 L61 F65	E24-F32 VanDerWaalsContact CA-O 3.32Å; E24-F32 WeakPolarHBondContact CA-O 3.32Å; I25-F32 HydrophobicContact CG2-CB 3.81Å; I25-F32 HydrophobicContact CG2-CD2 4.29Å; I25-F32 HydrophobicContact CG2-CG 4.48Å; I25-F32 PolarHBondContact N-O 3.22Å; I25-F32 PolarHBondContact O-N 2.9Å; V27-F32 HydrophobicContact CB-CE2 4.28Å; V27-F32 HydrophobicContact CG2-CE2 4.4Å; V30-F32 HydrophobicContact CB-CE2 4.04Å; V30-F32 HydrophobicContact CB-CZ 4.05Å; V30-F32 HydrophobicContact CG1-CD1 4.42Å; V30-F32 HydrophobicContact CG1-CD2 4.41Å; V30-F32 HydrophobicContact CG1-CE1 3.75Å; V30-F32 HydrophobicContact CG1-CE2 3.75Å; V30-F32 HydrophobicContact CG1-CZ 3.38Å; F32-V43 HydrophobicContact CB-CG2 4.09Å; F32-V43 HydrophobicContact CD1-CG2 3.98Å; F32-V43 HydrophobicContact CG-CG2 4.47Å; F32-I44 WeakPolarHBondContact CA-O 3.39Å; F32-T45 HydrophobicContact CE1-CG2 4.4Å; F32-T45 WeakPolarHBondContact CE1-OG1 3.49Å; F32-L60 HydrophobicContact CE2-CB 4.27Å; F32-L60 HydrophobicContact CZ-CB 3.73Å; F32-L61 HydrophobicContact CD1-CG 4.48Å; F32-L61 HydrophobicContact CE1-CB 3.72Å; F32-L61 HydrophobicContact CE1-CD1 4.3Å; F32-L61 HydrophobicContact CE1-CG 4.09Å; F32-L61 HydrophobicContact CZ-CB 4.44Å; F32-F65 HydrophobicContact CB-CE2 3.86Å; F32-F65 HydrophobicContact CB-CZ 3.9Å; F32-F65 HydrophobicContact CD1-CD2 4.31Å; F32-F65 AromaticContact CD1-CE2 3.67Å; F32-F65 HydrophobicContact CD1-CE2 3.67Å; F32-F65 AromaticContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CZ 4.45Å; F32-F65 HydrophobicContact CE1-CE2 4.21Å; F32-F65 HydrophobicContact CE2-CE2 4.45Å; F32-F65 AromaticContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CZ 4.05Å
33	Y	98.4	Very high	96.8	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.4	173.7	-53.4	-75.3	0	0	0	108.6	K16 L22 S23 E24 K31 V43 I44	K16-Y33 HydrophobicContact CD-CD1 3.89Å; K16-Y33 HydrophobicContact CD-CD2 4.11Å; K16-Y33 HydrophobicContact CD-CE1 3.69Å; K16-Y33 HydrophobicContact CD-CE2 3.93Å; K16-Y33 HydrophobicContact CD-CG 4.07Å; K16-Y33 HydrophobicContact CG-CD1 4.1Å; K16-Y33 HydrophobicContact CG-CD2 4.28Å; K16-Y33 HydrophobicContact CG-CE1 4.4Å; K16-Y33 HydrophobicContact CG-CG 4.01Å; K16-Y33 PolarHBondContact NZ-OH 3.48Å; L22-Y33 HydrophobicContact CD1-CD1 4.16Å; L22-Y33 HydrophobicContact CD1-CG 4.44Å; S23-Y33 CarbonylContact O-C 3.59Å; S23-Y33 WeakPolarHBondContact O-CA 3.49Å; E24-Y33 HydrophobicContact CB-CD1 4.19Å; E24-Y33 HydrophobicContact CB-CE1 4.41Å; E24-Y33 HydrophobicContact CG-CD1 3.99Å; E24-Y33 HydrophobicContact CG-CE1 3.83Å; E24-Y33 WeakPolarHBondContact OE2-CE1 2.89Å; K31-Y33 HydrophobicContact CB-CE2 4.19Å; Y33-V43 CarbonylContact O-C 3.56Å; Y33-V43 WeakPolarHBondContact O-CA 3.46Å; Y33-I44 PolarHBondContact N-O 2.97Å; Y33-I44 PolarHBondContact O-N 2.87Å
34	T	98.6	Very high	96.8	Very high	29 Å²	29	52.4 Å²	52.4	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.2	175.1	60.3	0	0	0	0	110.4	L22 S23 V42 V43 F65	L22-T34 CarbonylContact C-O 3.53Å; L22-T34 WeakPolarHBondContact CA-O 3.44Å; S23-T34 WeakPolarHBondContact CB-OG1 3.37Å; S23-T34 PolarHBondContact N-O 3.24Å; S23-T34 PolarHBondContact O-N 2.63Å; T34-V42 WeakPolarHBondContact CA-O 3.1Å; T34-V43 HydrophobicContact CG2-CB 4.09Å; T34-V43 HydrophobicContact CG2-CG2 3.92Å; T34-F65 HydrophobicContact CG2-CD1 3.99Å; T34-F65 HydrophobicContact CG2-CE1 3.48Å; T34-F65 VanDerWaalsContact CG2-CE1 3.48Å; T34-F65 HydrophobicContact CG2-CZ 4.03Å
35	G	98.4	Very high	96.9	Very high	10 Å²	10	47.7 Å²	47.7	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-163.5	173.5	0	0	0	0	0	112	T20 V42	T20-G35 CarbonylContact O-C 3.53Å; T20-G35 WeakPolarHBondContact O-CA 3.47Å; G35-V42 PolarHBondContact N-O 3.29Å; G35-V42 PolarHBondContact O-N 2.9Å
36	I	98.6	Very high	96.9	Very high	35 Å²	35	46.8 Å²	46.8	18%	0.179	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.9	175.8	-52.9	-60.8	0	0	0	109.8	T20 R40 E41	T20-I36 PolarHBondContact N-O 2.9Å; T20-I36 PolarHBondContact O-N 3.36Å; T20-I36 WeakPolarHBondContact OG1-CB 3.35Å; T20-I36 PolarHBondContact OG1-O 2.91Å; I36-R40 CarbonylContact C-O 3.55Å; I36-R40 VanDerWaalsContact CA-O 3.29Å; I36-R40 WeakPolarHBondContact CA-O 3.39Å; I36-E41 HydrophobicContact CD1-CB 4.3Å; I36-E41 HydrophobicContact CD1-CG 3.54Å
37	L	98.4	Very high	97	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124	172	-175.3	63.8	0	0	0	108.6	I4 L15 K18 L19 D39 R40 V42 E222 V225	I4-L37 HydrophobicContact CD1-CD2 4.41Å; L15-L37 HydrophobicContact CD2-CD2 4.12Å; K18-L37 HydrophobicContact CB-CD1 3.66Å; L19-L37 HydrophobicContact CD2-CB 3.84Å; L37-D39 VanDerWaalsContact C-N 3.28Å; L37-D39 PolarHBondContact O-N 2.99Å; L37-R40 PolarHBondContact N-O 3.33Å; L37-R40 WeakPolarHBondContact O-CB 3.32Å; L37-R40 PolarHBondContact O-N 3.49Å; L37-V42 HydrophobicContact CB-CG1 3.94Å; L37-V42 HydrophobicContact CB-CG2 3.81Å; L37-E222 HydrophobicContact CD1-CG 4.4Å; L37-V225 HydrophobicContact CB-CG1 4.26Å; L37-V225 HydrophobicContact CD2-CB 4.41Å; L37-V225 HydrophobicContact CD2-CG1 4.28Å; L37-V225 HydrophobicContact CD2-CG2 4.23Å; L37-V225 HydrophobicContact CG-CG1 4.23Å; L37-V225 WeakPolarHBondContact O-CG1 3.32Å
38	K	96.4	Very high	97.2	Very high	101 Å²	101	41.6 Å²	41.6	44%	0.439	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	48.6	-177.6	-58.3	-65.4	-174.5	-162.8	0	113	R40 E222 V225	K38-R40 PolarHBondContact O-N 3.23Å; K38-R40 VanDerWaalsContact O-N 3.12Å; K38-E222 HydrophobicContact CD-CG 4.49Å; K38-E222 VanDerWaalsContact CE-CG 3.42Å; K38-E222 WeakPolarHBondContact CE-OE1 3.48Å; K38-E222 HydrophobicContact CG-CG 4.17Å; K38-E222 IonicContact NZ-OE1 2.77Å; K38-E222 PolarHBondContact NZ-OE1 2.77Å; K38-V225 HydrophobicContact CB-CG1 4.35Å
39	D	96.4	Very high	97.3	Very high	155 Å²	155	41.3 Å²	41.3	83%	0.829	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	15.7	-179.2	-51	-50.6	0	0	0	115.2	L37	L37-D39 VanDerWaalsContact C-N 3.28Å; L37-D39 PolarHBondContact O-N 2.99Å
40	R	98.2	Very high	97.6	Very high	113 Å²	113	37.5 Å²	37.5	43%	0.426	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.9	175	-58.5	-53.9	-167.9	175	4	111.8	I2 I36 L37 K38 V42 V225 L228	I2-R40 HydrophobicContact CD1-CB 4.04Å; I2-R40 HydrophobicContact CD1-CG 4.29Å; I36-R40 CarbonylContact C-O 3.55Å; I36-R40 VanDerWaalsContact CA-O 3.29Å; I36-R40 WeakPolarHBondContact CA-O 3.39Å; L37-R40 PolarHBondContact N-O 3.33Å; L37-R40 WeakPolarHBondContact O-CB 3.32Å; L37-R40 PolarHBondContact O-N 3.49Å; K38-R40 PolarHBondContact O-N 3.23Å; K38-R40 VanDerWaalsContact O-N 3.12Å; R40-V42 HydrophobicContact CB-CG1 4.47Å; R40-V42 PolarHBondContact O-N 3.08Å; R40-V225 HydrophobicContact CB-CG1 3.91Å; R40-V225 HydrophobicContact CG-CG1 4.12Å; R40-V225 WeakPolarHBondContact CG-O 3.43Å; R40-L228 PolarHBondContact NE-O 3.08Å; R40-L228 PolarHBondContact NH2-O 3.4Å; R40-L228 PolarHBondContact NH2-OXT 2.82Å
41	E	98.4	Very high	97.8	Very high	116 Å²	116	39.2 Å²	39.2	54%	0.542	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.4	168.1	-72.5	-178.7	-177.8	0	0	110.6	M1 I2 I36	M1-E41 CarbonylContact C-O 3.56Å; M1-E41 VanDerWaalsContact CA-O 3.31Å; M1-E41 WeakPolarHBondContact CA-O 3.31Å; M1-E41 HydrophobicContact CB-CB 4.43Å; M1-E41 HydrophobicContact CE-CB 4.17Å; M1-E41 HydrophobicContact CG-CB 4.36Å; I2-E41 PolarHBondContact N-O 2.62Å; I36-E41 HydrophobicContact CD1-CB 4.3Å; I36-E41 HydrophobicContact CD1-CG 3.54Å
42	V	98.8	Very high	98	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152	179.2	-51.6	0	0	0	0	111.5	I2 L19 T34 G35 L37 R40 I44 V225	I2-V42 HydrophobicContact CB-CG1 4.14Å; I2-V42 HydrophobicContact CD1-CG1 4.48Å; I2-V42 CarbonylContact O-C 3.56Å; I2-V42 VanDerWaalsContact O-CA 3.26Å; I2-V42 WeakPolarHBondContact O-CA 3.45Å; L19-V42 HydrophobicContact CD2-CG2 3.27Å; T34-V42 WeakPolarHBondContact CA-O 3.1Å; G35-V42 PolarHBondContact N-O 3.29Å; G35-V42 PolarHBondContact O-N 2.9Å; L37-V42 HydrophobicContact CB-CG1 3.94Å; L37-V42 HydrophobicContact CB-CG2 3.81Å; R40-V42 HydrophobicContact CB-CG1 4.47Å; R40-V42 PolarHBondContact O-N 3.08Å; V42-I44 HydrophobicContact CG2-CG1 4.33Å; V42-V225 HydrophobicContact CG1-CG1 4.01Å
43	V	98.7	Very high	98	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.8	163.6	57.6	0	0	0	0	108.7	M1 I2 G3 I4 F32 Y33 T34 L61 F65	M1-V43 HydrophobicContact CG-CG1 4.45Å; M1-V43 HydrophobicContact SD-CB 4.29Å; M1-V43 HydrophobicContact SD-CG1 4.11Å; I2-V43 PolarHBondContact O-N 2.94Å; G3-V43 CarbonylContact C-O 3.56Å; G3-V43 WeakPolarHBondContact CA-O 3.46Å; I4-V43 PolarHBondContact N-O 3.34Å; F32-V43 HydrophobicContact CB-CG2 4.09Å; F32-V43 HydrophobicContact CD1-CG2 3.98Å; F32-V43 HydrophobicContact CG-CG2 4.47Å; Y33-V43 CarbonylContact O-C 3.56Å; Y33-V43 WeakPolarHBondContact O-CA 3.46Å; T34-V43 HydrophobicContact CG2-CB 4.09Å; T34-V43 HydrophobicContact CG2-CG2 3.92Å; V43-L61 HydrophobicContact CG1-CD1 4.16Å; V43-L61 HydrophobicContact CG1-CD2 3.89Å; V43-L61 HydrophobicContact CG1-CG 3.98Å; V43-F65 HydrophobicContact CB-CG 4.37Å; V43-F65 HydrophobicContact CG1-CB 4.07Å; V43-F65 HydrophobicContact CG1-CD2 4.4Å; V43-F65 HydrophobicContact CG1-CG 4.24Å; V43-F65 HydrophobicContact CG2-CD1 4.47Å; V43-F65 HydrophobicContact CG2-CD2 3.88Å; V43-F65 HydrophobicContact CG2-CE2 3.93Å; V43-F65 HydrophobicContact CG2-CG 4.15Å; V43-F65 HydrophobicContact CG2-CZ 4.25Å
44	I	98.7	Very high	98.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.5	177.2	-52.5	176	0	0	0	107.9	I4 V12 L15 L19 F32 Y33 V42	I4-I44 HydrophobicContact CB-CG1 4.2Å; I4-I44 HydrophobicContact CD1-CG1 4.26Å; I4-I44 CarbonylContact O-C 3.57Å; I4-I44 WeakPolarHBondContact O-CA 3.36Å; V12-I44 HydrophobicContact CB-CG2 3.92Å; V12-I44 HydrophobicContact CG1-CG2 4.1Å; L15-I44 HydrophobicContact CB-CD1 3.57Å; L19-I44 HydrophobicContact CD1-CD1 3.86Å; L19-I44 HydrophobicContact CD1-CG1 4.35Å; L19-I44 HydrophobicContact CD2-CD1 3.99Å; L19-I44 HydrophobicContact CG-CD1 4.03Å; F32-I44 WeakPolarHBondContact CA-O 3.39Å; Y33-I44 PolarHBondContact N-O 2.97Å; Y33-I44 PolarHBondContact O-N 2.87Å; V42-I44 HydrophobicContact CG2-CG1 4.33Å
45	T	98.1	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.1	176.2	-165.9	0	0	0	0	112	I4 I5 G6 V12 V30 K31 F32 L61	I4-T45 PolarHBondContact O-N 2.83Å; I5-T45 HydrophobicContact CB-CG2 4Å; I5-T45 HydrophobicContact CD1-CG2 4.37Å; I5-T45 HydrophobicContact CG1-CG2 3.73Å; I5-T45 HydrophobicContact CG2-CG2 3.79Å; G6-T45 PolarHBondContact N-O 2.91Å; V12-T45 WeakPolarHBondContact CG1-O 3.31Å; V30-T45 WeakPolarHBondContact CG1-OG1 3.42Å; K31-T45 VanDerWaalsContact O-CA 3.32Å; K31-T45 WeakPolarHBondContact O-CA 3.32Å; K31-T45 PolarHBondContact O-OG1 2.8Å; F32-T45 HydrophobicContact CE1-CG2 4.4Å; F32-T45 WeakPolarHBondContact CE1-OG1 3.49Å; T45-L61 HydrophobicContact CG2-CD1 3.63Å
46	Q	96.2	Very high	98.1	Very high	45 Å²	45	46 Å²	46	21%	0.21	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.5	162.1	-175.9	-174.9	-2.1	0	0	107.8	G6 A7 V12 K31	G6-Q46 CarbonylContact O-C 3.45Å; G6-Q46 VanDerWaalsContact O-CA 3.3Å; G6-Q46 WeakPolarHBondContact O-CA 3.42Å; A7-Q46 WeakPolarHBondContact O-CG 3.48Å; V12-Q46 HydrophobicContact CG1-CB 4.4Å; V12-Q46 HydrophobicContact CG2-CB 4.18Å; K31-Q46 PolarHBondContact O-N 3.14Å
47	S	97.2	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.			trans	-81	-23.1	-174.7	64.7	0	0	0	0	114.3	G6 A7 H29 N53 S57	G6-S47 PolarHBondContact O-N 2.82Å; G6-S47 PolarHBondContact O-OG 2.9Å; A7-S47 WeakPolarHBondContact CA-OG 3.49Å; H29-S47 PolarHBondContact CD2-O 2.81Å; H29-S47 PolarHBondContact NE2-O 2.83Å; S47-N53 CarbonylContact O-C 3.56Å; S47-N53 WeakPolarHBondContact O-CB 3.44Å; S47-S57 WeakPolarHBondContact CA-OG 3.32Å; S47-S57 WeakPolarHBondContact CB-OG 3.37Å; S47-S57 PolarHBondContact O-OG 3.18Å
48	G	96.9	Very high	98.1	Very high	16 Å²	16	44.2 Å²	44.2	17%	0.165	23%	0.227	C	C	.	.			trans	79.4	157.3	-159.2	0	0	0	0	0	111.5	A7	A7-G48 CarbonylContact O-C 3.52Å; A7-G48 VanDerWaalsContact O-CA 3.24Å; A7-G48 WeakPolarHBondContact O-CA 3.3Å; A7-G48 PolarHBondContact O-N 2.79Å
49	I	97.9	Very high	98.2	Very high	81 Å²	81	42 Å²	42	42%	0.415	22%	0.222	S	C	.	.	S	Bend	trans	-75.6	142.7	-178.2	-61.3	170.1	0	0	0	110.1	A7 M8 N53 M172 E173	A7-I49 HydrophobicContact CB-CG1 4.31Å; M8-I49 HydrophobicContact CG-CD1 3.86Å; M8-I49 HydrophobicContact CG-CG1 3.83Å; M8-I49 HydrophobicContact SD-CD1 3.91Å; M8-I49 HydrophobicContact SD-CG1 4.39Å; I49-N53 PolarHBondContact O-ND2 2.95Å; I49-M172 HydrophobicContact CG2-CB 4.33Å; I49-M172 HydrophobicContact CG2-CE 3.78Å; I49-M172 HydrophobicContact CG2-SD 3.89Å; I49-E173 WeakPolarHBondContact CA-OE1 3.37Å
50	G	98.5	Very high	98.4	Very high	6 Å²	6	36.8 Å²	36.8	6%	0.062	19%	0.194	C	C	.	.	S	Bend	trans	94.1	160.1	173.7	0	0	0	0	0	114.9	V52 N53 A54 D148 M172 E173	G50-V52 PolarHBondContact O-N 3.13Å; G50-N53 PolarHBondContact O-N 3.24Å; G50-A54 WeakPolarHBondContact O-CB 3.48Å; G50-A54 PolarHBondContact O-N 3.43Å; G50-D148 WeakPolarHBondContact CA-OD1 3.46Å; G50-M172 CarbonylContact C-O 3.48Å; G50-M172 VanDerWaalsContact CA-O 3.23Å; G50-M172 WeakPolarHBondContact CA-O 3.49Å; G50-E173 PolarHBondContact N-OE1 3.38Å
51	K	98.8	Very high	98.4	Very high	36 Å²	36	31.4 Å²	31.4	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-44.2	-165.9	-69.1	-177.3	-70.5	-173.6	0	113.6	A54 A55 Y96 D98 D148 M172 A176	K51-A54 PolarHBondContact O-N 3.05Å; K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.23Å; K51-Y96 HydrophobicContact CD-CD1 3.52Å; K51-Y96 HydrophobicContact CD-CE1 3.28Å; K51-Y96 HydrophobicContact CG-CE1 4.03Å; K51-D98 IonicContact NZ-OD1 3.02Å; K51-D98 PolarHBondContact NZ-OD1 2.93Å; K51-D98 IonicContact NZ-OD2 3.46Å; K51-D98 PolarHBondContact NZ-OD2 3.33Å; K51-D148 WeakPolarHBondContact CB-OD1 3.49Å; K51-D148 WeakPolarHBondContact CE-OD2 3.41Å; K51-D148 WeakPolarHBondContact CG-OD1 3.25Å; K51-D148 PolarHBondContact N-OD1 3Å; K51-D148 IonicContact NZ-OD2 2.59Å; K51-M172 PolarHBondContact N-O 2.9Å; K51-A176 HydrophobicContact CB-CB 3.89Å; K51-A176 HydrophobicContact CG-CB 4.2Å; K51-A176 VanDerWaalsContact O-CB 3.27Å; K51-A176 WeakPolarHBondContact O-CB 3Å
52	V	98.6	Very high	98.4	Very high	98 Å²	98	26.5 Å²	26.5	59%	0.594	15%	0.151	S	C	*	.	H	α-helix	trans	-68	-43.5	-176.8	176.7	0	0	0	0	111	G50 A55 I56	G50-V52 PolarHBondContact O-N 3.13Å; V52-A55 PolarHBondContact O-N 3.23Å; V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 HydrophobicContact CG1-CG1 4.44Å; V52-I56 WeakPolarHBondContact O-CG1 3.3Å; V52-I56 PolarHBondContact O-N 2.92Å
53	N	98.7	Very high	98.4	Very high	63 Å²	63	32.1 Å²	32.1	34%	0.337	18%	0.181	S	C	.	.	H	α-helix	trans	-61.4	-45.9	176.8	-75.8	-25.3	0	0	0	111.1	S47 I49 G50 S57	S47-N53 CarbonylContact O-C 3.56Å; S47-N53 WeakPolarHBondContact O-CB 3.44Å; I49-N53 PolarHBondContact O-ND2 2.95Å; G50-N53 PolarHBondContact O-N 3.24Å; N53-S57 WeakPolarHBondContact O-CB 3.33Å; N53-S57 PolarHBondContact O-N 2.87Å; N53-S57 PolarHBondContact O-OG 3.22Å
54	A	98.8	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-45.5	175.1	0	0	0	0	0	112.8	G50 K51 S57 T58 E173 A176 I177	G50-A54 WeakPolarHBondContact O-CB 3.48Å; G50-A54 PolarHBondContact O-N 3.43Å; K51-A54 PolarHBondContact O-N 3.05Å; A54-S57 PolarHBondContact O-N 3.39Å; A54-T58 WeakPolarHBondContact O-CB 3.41Å; A54-T58 PolarHBondContact O-N 2.9Å; A54-T58 PolarHBondContact O-OG1 2.9Å; A54-E173 HydrophobicContact CB-CB 3.78Å; A54-E173 HydrophobicContact CB-CG 4Å; A54-A176 HydrophobicContact CB-CB 4.21Å; A54-I177 HydrophobicContact CB-CG1 3.99Å
55	A	98.9	Very high	98.3	Very high	28 Å²	28	40.2 Å²	40.2	23%	0.231	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-44.8	179.1	0	0	0	0	0	112.8	K51 V52 S57 T58 T59 A176	K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.23Å; V52-A55 PolarHBondContact O-N 3.23Å; A55-S57 VanDerWaalsContact C-N 3.35Å; A55-S57 PolarHBondContact O-N 3.03Å; A55-T58 PolarHBondContact O-N 2.98Å; A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 2.86Å; A55-T59 PolarHBondContact O-OG1 2.86Å; A55-A176 HydrophobicContact CB-CB 4.44Å
56	I	98.7	Very high	98.3	Very high	71 Å²	71	48 Å²	48	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-59.4	-48.8	175.9	-70.2	168.8	0	0	0	109.9	V30 V52 T58 T59 L60	V30-I56 HydrophobicContact CG2-CG2 4.47Å; V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 HydrophobicContact CG1-CG1 4.44Å; V52-I56 WeakPolarHBondContact O-CG1 3.3Å; V52-I56 PolarHBondContact O-N 2.92Å; I56-T58 PolarHBondContact O-N 3.37Å; I56-T59 PolarHBondContact O-N 2.82Å; I56-L60 HydrophobicContact CG2-CD1 3.86Å; I56-L60 HydrophobicContact CG2-CG 4.42Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CG 3.33Å; I56-L60 PolarHBondContact O-N 2.59Å
57	S	98.8	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-44.7	-178.4	-54.5	0	0	0	0	112.2	V30 S47 N53 A54 A55 L60 L61	V30-S57 WeakPolarHBondContact CG2-OG 3.28Å; S47-S57 WeakPolarHBondContact CA-OG 3.32Å; S47-S57 WeakPolarHBondContact CB-OG 3.37Å; S47-S57 PolarHBondContact O-OG 3.18Å; N53-S57 WeakPolarHBondContact O-CB 3.33Å; N53-S57 PolarHBondContact O-N 2.87Å; N53-S57 PolarHBondContact O-OG 3.22Å; A54-S57 PolarHBondContact O-N 3.39Å; A55-S57 VanDerWaalsContact C-N 3.35Å; A55-S57 PolarHBondContact O-N 3.03Å; S57-L60 PolarHBondContact O-N 3.31Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 PolarHBondContact O-N 2.97Å
58	T	98.9	Very high	98.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-42.9	177.7	-53.4	0	0	0	0	111.1	I5 A54 A55 I56 L60 L61 I62 I70 I177 T180	I5-T58 HydrophobicContact CD1-CG2 3.99Å; I5-T58 WeakPolarHBondContact CD1-OG1 3.41Å; A54-T58 WeakPolarHBondContact O-CB 3.41Å; A54-T58 PolarHBondContact O-N 2.9Å; A54-T58 PolarHBondContact O-OG1 2.9Å; A55-T58 PolarHBondContact O-N 2.98Å; I56-T58 PolarHBondContact O-N 3.37Å; T58-L60 PolarHBondContact O-N 2.96Å; T58-L61 PolarHBondContact O-N 3.23Å; T58-I62 HydrophobicContact CG2-CD1 3.86Å; T58-I62 HydrophobicContact CG2-CG1 4.43Å; T58-I62 VanDerWaalsContact O-CG1 3.28Å; T58-I62 WeakPolarHBondContact O-CG1 3.18Å; T58-I62 PolarHBondContact O-N 3.41Å; T58-I70 HydrophobicContact CG2-CD1 3.98Å; T58-I177 HydrophobicContact CG2-CG2 4.16Å; T58-T180 HydrophobicContact CG2-CG2 3.61Å
59	T	98.9	Very high	98.6	Very high	54 Å²	54	52 Å²	52	33%	0.331	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-46.4	177.5	-59.8	0	0	0	0	111.3	A55 I56 I62 N63 T180 F184	A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 2.86Å; A55-T59 PolarHBondContact O-OG1 2.86Å; I56-T59 PolarHBondContact O-N 2.82Å; T59-I62 PolarHBondContact O-N 3.33Å; T59-N63 VanDerWaalsContact O-CB 3.31Å; T59-N63 WeakPolarHBondContact O-CB 3.29Å; T59-N63 PolarHBondContact O-N 3.16Å; T59-T180 WeakPolarHBondContact OG1-CG2 3.41Å; T59-F184 HydrophobicContact CG2-CE2 4.2Å; T59-F184 HydrophobicContact CG2-CZ 4Å
60	L	98.7	Very high	98.6	Very high	46 Å²	46	48.2 Å²	48.2	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-42.2	177.8	-71.6	174.6	0	0	0	111.6	V27 V30 F32 I56 S57 T58 K64	V27-L60 HydrophobicContact CB-CD1 4.34Å; V27-L60 HydrophobicContact CG1-CD1 4.09Å; V27-L60 HydrophobicContact CG1-CD2 4.07Å; V30-L60 HydrophobicContact CB-CD1 4.43Å; V30-L60 HydrophobicContact CG2-CD1 3.97Å; F32-L60 HydrophobicContact CE2-CB 4.27Å; F32-L60 HydrophobicContact CZ-CB 3.73Å; I56-L60 HydrophobicContact CG2-CD1 3.86Å; I56-L60 HydrophobicContact CG2-CG 4.42Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CG 3.33Å; I56-L60 PolarHBondContact O-N 2.59Å; S57-L60 PolarHBondContact O-N 3.31Å; T58-L60 PolarHBondContact O-N 2.96Å; L60-K64 WeakPolarHBondContact O-CB 3.39Å; L60-K64 PolarHBondContact O-N 3.25Å
61	L	98.7	Very high	98.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-52.7	176.6	-166.3	156.3	0	0	0	110.6	I5 F32 V43 T45 S57 T58 K64 F65 P67 I70	I5-L61 HydrophobicContact CD1-CD1 4.2Å; I5-L61 HydrophobicContact CG1-CD1 3.97Å; F32-L61 HydrophobicContact CD1-CG 4.48Å; F32-L61 HydrophobicContact CE1-CB 3.72Å; F32-L61 HydrophobicContact CE1-CD1 4.3Å; F32-L61 HydrophobicContact CE1-CG 4.09Å; F32-L61 HydrophobicContact CZ-CB 4.44Å; V43-L61 HydrophobicContact CG1-CD1 4.16Å; V43-L61 HydrophobicContact CG1-CD2 3.89Å; V43-L61 HydrophobicContact CG1-CG 3.98Å; T45-L61 HydrophobicContact CG2-CD1 3.63Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 PolarHBondContact O-N 2.97Å; T58-L61 PolarHBondContact O-N 3.23Å; L61-K64 PolarHBondContact O-N 3.42Å; L61-F65 HydrophobicContact CG-CD2 4.48Å; L61-F65 WeakPolarHBondContact O-CB 3.34Å; L61-F65 PolarHBondContact O-N 2.96Å; L61-P67 HydrophobicContact CD2-CB 4.15Å; L61-P67 HydrophobicContact CD2-CG 3.46Å; L61-P67 VanDerWaalsContact CD2-CG 3.46Å; L61-I70 HydrophobicContact CD2-CD1 4.43Å
62	I	98.8	Very high	98.7	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.062	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-49.5	-177.9	-67.8	170.8	0	0	0	110.7	T58 T59 K64 K66 P67 I70 T180 F184 V186	T58-I62 HydrophobicContact CG2-CD1 3.86Å; T58-I62 HydrophobicContact CG2-CG1 4.43Å; T58-I62 VanDerWaalsContact O-CG1 3.28Å; T58-I62 WeakPolarHBondContact O-CG1 3.18Å; T58-I62 PolarHBondContact O-N 3.41Å; T59-I62 PolarHBondContact O-N 3.33Å; I62-K64 PolarHBondContact O-N 3.42Å; I62-K66 VanDerWaalsContact O-CA 3.3Å; I62-K66 WeakPolarHBondContact O-CA 3.46Å; I62-K66 PolarHBondContact O-N 3.16Å; I62-P67 HydrophobicContact CG1-CG 4.46Å; I62-I70 HydrophobicContact CD1-CD1 3.74Å; I62-I70 HydrophobicContact CG1-CD1 3.57Å; I62-T180 HydrophobicContact CD1-CG2 4.26Å; I62-F184 HydrophobicContact CB-CD1 4.47Å; I62-F184 HydrophobicContact CD1-CB 3.87Å; I62-F184 HydrophobicContact CD1-CD2 4.23Å; I62-F184 HydrophobicContact CD1-CG 4.07Å; I62-F184 HydrophobicContact CG2-CB 3.95Å; I62-F184 HydrophobicContact CG2-CD1 3.54Å; I62-F184 HydrophobicContact CG2-CE1 4.21Å; I62-F184 HydrophobicContact CG2-CG 3.83Å; I62-V186 HydrophobicContact CD1-CB 4.41Å; I62-V186 HydrophobicContact CD1-CG2 4.05Å; I62-V186 HydrophobicContact CG1-CG2 4.27Å; I62-V186 HydrophobicContact CG2-CG2 4.13Å
63	N	98.2	Very high	98.7	Very high	119 Å²	119	41.6 Å²	41.6	64%	0.636	21%	0.212	S	C	*	.	H	α-helix	trans	-66.1	-37.4	-176.5	-175.1	56.7	0	0	0	112.6	T59	T59-N63 VanDerWaalsContact O-CB 3.31Å; T59-N63 WeakPolarHBondContact O-CB 3.29Å; T59-N63 PolarHBondContact O-N 3.16Å
64	K	97.7	Very high	98.6	Very high	128 Å²	128	38.6 Å²	38.6	56%	0.557	20%	0.196	S	C	*	.	H	α-helix	trans	-81.7	-43.3	-175.8	-174.5	67.6	175.6	-173.9	0	112.9	L60 L61 I62	L60-K64 WeakPolarHBondContact O-CB 3.39Å; L60-K64 PolarHBondContact O-N 3.25Å; L61-K64 PolarHBondContact O-N 3.42Å; I62-K64 PolarHBondContact O-N 3.42Å
65	F	98.2	Very high	98.6	Very high	41 Å²	41	39 Å²	39	18%	0.18	20%	0.199	C	C	.	.	H	α-helix	trans	-113.4	-15.1	-167.6	-59.2	-76.7	0	0	0	114.3	M1 I25 F32 T34 V43 L61	M1-F65 HydrophobicContact SD-CB 3.91Å; M1-F65 HydrophobicContact SD-CD1 4.43Å; I25-F65 HydrophobicContact CG2-CZ 3.82Å; F32-F65 HydrophobicContact CB-CE2 3.86Å; F32-F65 HydrophobicContact CB-CZ 3.9Å; F32-F65 HydrophobicContact CD1-CD2 4.31Å; F32-F65 AromaticContact CD1-CE2 3.67Å; F32-F65 HydrophobicContact CD1-CE2 3.67Å; F32-F65 AromaticContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CZ 4.45Å; F32-F65 HydrophobicContact CE1-CE2 4.21Å; F32-F65 HydrophobicContact CE2-CE2 4.45Å; F32-F65 AromaticContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CZ 4.05Å; T34-F65 HydrophobicContact CG2-CD1 3.99Å; T34-F65 HydrophobicContact CG2-CE1 3.48Å; T34-F65 VanDerWaalsContact CG2-CE1 3.48Å; T34-F65 HydrophobicContact CG2-CZ 4.03Å; V43-F65 HydrophobicContact CB-CG 4.37Å; V43-F65 HydrophobicContact CG1-CB 4.07Å; V43-F65 HydrophobicContact CG1-CD2 4.4Å; V43-F65 HydrophobicContact CG1-CG 4.24Å; V43-F65 HydrophobicContact CG2-CD1 4.47Å; V43-F65 HydrophobicContact CG2-CD2 3.88Å; V43-F65 HydrophobicContact CG2-CE2 3.93Å; V43-F65 HydrophobicContact CG2-CG 4.15Å; V43-F65 HydrophobicContact CG2-CZ 4.25Å; L61-F65 HydrophobicContact CG-CD2 4.48Å; L61-F65 WeakPolarHBondContact O-CB 3.34Å; L61-F65 PolarHBondContact O-N 2.96Å
66	K	98.3	Very high	98.6	Very high	165 Å²	165	37.8 Å²	37.8	72%	0.717	19%	0.189	S	C	*	.			trans	49.1	57.3	177.4	-57.4	173.1	-175.6	163.7	0	112.4	I62	I62-K66 VanDerWaalsContact O-CA 3.3Å; I62-K66 WeakPolarHBondContact O-CA 3.46Å; I62-K66 PolarHBondContact O-N 3.16Å
67	P	98.7	Very high	98.5	Very high	8 Å²	8	34.5 Å²	34.5	5%	0.052	17%	0.173	C	C	.	.			trans	-64	148.4	179	35.2	-40.1	0	0	0	110.4	M1 L61 I62 V69 I70	M1-P67 CarbonylContact O-C 3.51Å; M1-P67 VanDerWaalsContact O-CA 3.3Å; M1-P67 WeakPolarHBondContact O-CA 3.46Å; L61-P67 HydrophobicContact CD2-CB 4.15Å; L61-P67 HydrophobicContact CD2-CG 3.46Å; L61-P67 VanDerWaalsContact CD2-CG 3.46Å; I62-P67 HydrophobicContact CG1-CG 4.46Å; P67-V69 VanDerWaalsContact C-N 3.32Å; P67-I70 HydrophobicContact CG-CD1 4.14Å; P67-I70 HydrophobicContact CG-CG1 3.93Å
68	D	98.7	Very high	98.5	Very high	114 Å²	114	34.6 Å²	34.6	61%	0.61	17%	0.174	S	C	*	.	S	Bend	trans	-74	-30.1	174.8	-58.1	-65.7	0	0	0	111.3	M1 P187	M1-D68 PolarHBondContact N-OD2 3.36Å; M1-D68 PolarHBondContact O-N 3.18Å; D68-P187 WeakPolarHBondContact O-CD 2.95Å
69	V	98.9	Very high	98.5	Very high	23 Å²	23	34.7 Å²	34.7	14%	0.139	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.7	178.2	-57.1	0	0	0	0	111	I2 G3 P67 L124 P187 L228	I2-V69 HydrophobicContact CB-CG2 4.49Å; I2-V69 HydrophobicContact CG1-CG2 4.18Å; I2-V69 HydrophobicContact CG2-CG2 4.11Å; G3-V69 PolarHBondContact N-O 3.41Å; P67-V69 VanDerWaalsContact C-N 3.32Å; V69-L124 HydrophobicContact CB-CD1 4.07Å; V69-L124 HydrophobicContact CG1-CD1 4.19Å; V69-L124 HydrophobicContact CG1-CD2 4.31Å; V69-P187 CarbonylContact C-O 3.59Å; V69-P187 VanDerWaalsContact CA-O 3.3Å; V69-P187 WeakPolarHBondContact CA-O 3.46Å; V69-P187 HydrophobicContact CG1-CB 4.2Å; V69-L228 HydrophobicContact CG2-CD1 3.94Å
70	I	98.9	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.6	173.8	-74	170.5	0	0	0	111	G3 I5 T58 L61 I62 P67 I177 C181 V186 P187 F188 V189	G3-I70 CarbonylContact O-C 3.5Å; G3-I70 WeakPolarHBondContact O-CA 3.33Å; I5-I70 HydrophobicContact CD1-CG2 3.77Å; I5-I70 HydrophobicContact CG1-CG2 4.06Å; T58-I70 HydrophobicContact CG2-CD1 3.98Å; L61-I70 HydrophobicContact CD2-CD1 4.43Å; I62-I70 HydrophobicContact CD1-CD1 3.74Å; I62-I70 HydrophobicContact CG1-CD1 3.57Å; P67-I70 HydrophobicContact CG-CD1 4.14Å; P67-I70 HydrophobicContact CG-CG1 3.93Å; I70-I177 HydrophobicContact CG2-CG2 3.91Å; I70-C181 VanDerWaalsContact CD1-SG 3.53Å; I70-V186 HydrophobicContact CD1-CG1 4.01Å; I70-V186 HydrophobicContact CG1-CG1 4.05Å; I70-P187 PolarHBondContact N-O 3.05Å; I70-F188 HydrophobicContact CB-CB 4.25Å; I70-F188 HydrophobicContact CG2-CB 4.49Å; I70-F188 CarbonylContact O-C 3.5Å; I70-F188 WeakPolarHBondContact O-CA 3.35Å; I70-F188 WeakPolarHBondContact O-CB 3.35Å; I70-V189 PolarHBondContact O-N 2.97Å
71	I	98.9	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.4	173.5	-56.1	157.9	0	0	0	107.5	I2 G3 I4 I5 V189 V191 V221 L224 V225 L228	I2-I71 HydrophobicContact CG2-CD1 3.56Å; I2-I71 HydrophobicContact CG2-CG1 4.33Å; G3-I71 PolarHBondContact O-N 3.47Å; I4-I71 CarbonylContact C-O 3.57Å; I4-I71 VanDerWaalsContact CA-O 3.31Å; I4-I71 WeakPolarHBondContact CA-O 3.47Å; I4-I71 HydrophobicContact CG1-CD1 4.39Å; I5-I71 PolarHBondContact N-O 2.78Å; I71-V189 WeakPolarHBondContact CA-O 2.94Å; I71-V189 HydrophobicContact CG1-CG1 4.17Å; I71-V189 HydrophobicContact CG2-CG1 4.29Å; I71-V191 HydrophobicContact CG2-CG2 4.29Å; I71-V221 HydrophobicContact CD1-CG1 4.4Å; I71-V221 HydrophobicContact CG2-CG1 4.06Å; I71-V221 HydrophobicContact CG2-CG2 3.73Å; I71-L224 HydrophobicContact CD1-CD2 3.69Å; I71-L224 HydrophobicContact CD1-CG 4.37Å; I71-L224 HydrophobicContact CG1-CD2 3.92Å; I71-L224 HydrophobicContact CG2-CD2 4.32Å; I71-V225 HydrophobicContact CD1-CG2 4.28Å; I71-L228 HydrophobicContact CD1-CD1 3.99Å
72	N	98.9	Very high	97.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.5	170.1	172.8	-140.8	0	0	0	109.2	I5 A174 I177 V189 V190 V191 R192	I5-N72 CarbonylContact O-C 3.55Å; I5-N72 WeakPolarHBondContact O-CA 3.32Å; I5-N72 PolarHBondContact O-ND2 3.4Å; N72-A174 WeakPolarHBondContact OD1-CB 3.47Å; N72-I177 HydrophobicContact CB-CD1 3.89Å; N72-I177 VanDerWaalsContact CG-CD1 3.47Å; N72-I177 VanDerWaalsContact ND2-CD1 3.34Å; N72-I177 WeakPolarHBondContact ND2-CD1 3.41Å; N72-V189 PolarHBondContact N-O 2.93Å; N72-V190 HydrophobicContact CB-CG1 4.38Å; N72-V190 HydrophobicContact CB-CG2 4.23Å; N72-V190 WeakPolarHBondContact OD1-CG1 3.38Å; N72-V191 CarbonylContact O-C 3.52Å; N72-V191 PolarHBondContact O-N 3.21Å; N72-R192 PolarHBondContact OD1-NH1 3.38Å
73	T	98.7	Very high	97.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	158.6	175.7	-164.3	0	0	0	0	110.8	I4 I5 V191	I4-T73 HydrophobicContact CG2-CG2 3.98Å; I5-T73 PolarHBondContact O-N 3.5Å; T73-V191 VanDerWaalsContact CA-O 3.29Å; T73-V191 WeakPolarHBondContact CA-O 3.48Å
74	G	97.9	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.5	-163.1	170.5	0	0	0	0	0	114.3	E11 R192 A193 S217	E11-G74 WeakPolarHBondContact OE1-CA 3.38Å; G74-R192 CarbonylContact O-C 3.57Å; G74-R192 WeakPolarHBondContact O-CA 3.18Å; G74-R192 VanDerWaalsContact O-CB 3.27Å; G74-R192 WeakPolarHBondContact O-CB 3.4Å; G74-A193 PolarHBondContact O-N 3.48Å; G74-S217 PolarHBondContact O-OG 3.3Å
75	S	98	Very high	97.4	Very high	8 Å²	8	38.2 Å²	38.2	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	160.5	175.8	73.5	0	0	0	0	113	E11 R192 A193 S195	E11-S75 PolarHBondContact OE1-N 2.97Å; S75-R192 VanDerWaalsContact O-CZ 3.28Å; S75-R192 PolarHBondContact O-NE 2.75Å; S75-R192 PolarHBondContact O-NH2 2.78Å; S75-A193 CarbonylContact C-O 3.6Å; S75-A193 WeakPolarHBondContact CA-O 3.47Å; S75-S195 WeakPolarHBondContact CB-OG 3.49Å; S75-S195 PolarHBondContact OG-OG 2.97Å
76	A	98.5	Very high	97.2	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.4	174	0	0	0	0	0	111.7	L89 A169 E171 R192 A193 V194 S195	A76-L89 HydrophobicContact CB-CD1 3.88Å; A76-A169 HydrophobicContact CB-CB 4.1Å; A76-E171 HydrophobicContact CB-CB 4.08Å; A76-E171 HydrophobicContact CB-CG 4.23Å; A76-R192 HydrophobicContact CB-CB 4.26Å; A76-A193 PolarHBondContact N-O 3.05Å; A76-V194 WeakPolarHBondContact O-CA 3.38Å; A76-S195 PolarHBondContact O-N 3.43Å; A76-S195 PolarHBondContact O-OG 3.18Å
77	G	98.1	Very high	97.1	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.3	172.7	0	0	0	0	0	111.2	L79 A169 V170 D196	G77-L79 PolarHBondContact O-N 3.29Å; G77-A169 CarbonylContact O-C 3.59Å; G77-A169 WeakPolarHBondContact O-CA 3.36Å; G77-A169 WeakPolarHBondContact O-CB 3.36Å; G77-V170 PolarHBondContact N-O 3.01Å; G77-V170 PolarHBondContact O-N 3.36Å; G77-D196 CarbonylContact C-O 3.54Å; G77-D196 WeakPolarHBondContact CA-O 3.48Å; G77-D196 VanDerWaalsContact CA-OD1 3.26Å; G77-D196 WeakPolarHBondContact CA-OD1 3.24Å; G77-D196 WeakPolarHBondContact CA-OD2 3.33Å
78	A	98	Very high	97.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.6	-179.5	0	0	0	0	0	111.6	L83 R157 V194 D196 L197	A78-L83 HydrophobicContact CB-CB 3.83Å; A78-L83 HydrophobicContact CB-CD1 4.08Å; A78-R157 PolarHBondContact O-NH1 2.94Å; A78-V194 HydrophobicContact CB-CG1 3.7Å; A78-V194 HydrophobicContact CB-CG2 4.13Å; A78-D196 PolarHBondContact N-O 3.15Å; A78-L197 HydrophobicContact CB-CD2 4.19Å; A78-L197 CarbonylContact O-C 3.57Å
79	L	98.1	Very high	97.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	14%	0.135	C	C	.	.			trans	-98.3	-17.4	171.4	-69.7	-179.4	0	0	0	113	G77 V145 R157 I160 K161 A167 M168 V170 A198	G77-L79 PolarHBondContact O-N 3.29Å; L79-V145 HydrophobicContact CD1-CG2 4.04Å; L79-R157 VanDerWaalsContact C-NH2 3.32Å; L79-R157 HydrophobicContact CD2-CG 3.82Å; L79-R157 PolarHBondContact O-NH2 3.06Å; L79-I160 HydrophobicContact CD1-CG2 3.62Å; L79-K161 HydrophobicContact CB-CD 3.92Å; L79-K161 PolarHBondContact O-NZ 2.91Å; L79-A167 WeakPolarHBondContact CB-O 3.34Å; L79-A167 HydrophobicContact CD1-CB 3.85Å; L79-M168 PolarHBondContact N-O 2.84Å; L79-V170 HydrophobicContact CD1-CB 3.94Å; L79-V170 HydrophobicContact CD1-CG1 4.28Å; L79-V170 HydrophobicContact CD2-CG1 4.08Å; L79-V170 HydrophobicContact CG-CB 4.19Å; L79-V170 HydrophobicContact CG-CG1 4.01Å; L79-A198 HydrophobicContact CD2-CB 4.08Å
80	D	96.1	Very high	97.1	Very high	42 Å²	42	23 Å²	23	23%	0.225	13%	0.129	C	C	.	.	S	Bend	trans	-87.9	131.8	170.1	-159.2	-48.2	0	0	0	110.5	S82 L83 K140 M168	D80-S82 PolarHBondContact O-N 3.47Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.05Å; D80-S82 PolarHBondContact OD1-OG 3.12Å; D80-L83 HydrophobicContact CB-CD1 3.75Å; D80-L83 HydrophobicContact CB-CG 4Å; D80-L83 PolarHBondContact O-N 3.37Å; D80-K140 VanDerWaalsContact CG-NZ 3.3Å; D80-K140 IonicContact OD1-NZ 2.91Å; D80-K140 IonicContact OD2-NZ 3.43Å; D80-K140 PolarHBondContact OD2-NZ 2.91Å; D80-M168 HydrophobicContact CB-CB 4.11Å; D80-M168 PolarHBondContact N-O 3.34Å
81	E	93.5	Very high	97.1	Very high	177 Å²	177	23 Å²	23	83%	0.827	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.9	179.9	-64	179.6	-179.1	0	0	112.7	L83	E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 2.77Å
82	S	95.3	Very high	97.1	Very high	73 Å²	73	26 Å²	26	51%	0.51	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.3	175.8	87.7	0	0	0	0	114	D80 K140	D80-S82 PolarHBondContact O-N 3.47Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.05Å; D80-S82 PolarHBondContact OD1-OG 3.12Å; S82-K140 PolarHBondContact OG-NZ 2.85Å
83	L	96.4	Very high	97.1	Very high	9 Å²	9	27.8 Å²	27.8	5%	0.047	16%	0.155	C	C	.	.			trans	-95.4	143.1	-173.8	-71.9	171.1	0	0	0	111.7	A78 D80 E81 D87 L89 K140 M168 V194	A78-L83 HydrophobicContact CB-CB 3.83Å; A78-L83 HydrophobicContact CB-CD1 4.08Å; D80-L83 HydrophobicContact CB-CD1 3.75Å; D80-L83 HydrophobicContact CB-CG 4Å; D80-L83 PolarHBondContact O-N 3.37Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 2.77Å; L83-D87 HydrophobicContact CD2-CB 4.14Å; L83-L89 HydrophobicContact CD1-CD2 3.65Å; L83-L89 HydrophobicContact CD2-CD2 3.81Å; L83-L89 HydrophobicContact CG-CD2 4.39Å; L83-K140 HydrophobicContact CD2-CB 4.01Å; L83-K140 HydrophobicContact CD2-CD 4.1Å; L83-K140 HydrophobicContact CG-CD 4.47Å; L83-M168 HydrophobicContact CD1-CB 4.27Å; L83-M168 WeakPolarHBondContact CD1-O 3.46Å; L83-V194 HydrophobicContact CB-CG2 4.2Å; L83-V194 HydrophobicContact CD1-CG2 4.4Å
84	N	94.4	Very high	97.1	Very high	104 Å²	104	27.8 Å²	27.8	56%	0.556	16%	0.155	S	C	*	.			trans	-120.4	157.3	177.6	-58.5	-83	0	0	0	111.1	G86 D87 V194	N84-G86 PolarHBondContact O-N 2.93Å; N84-D87 PolarHBondContact N-OD2 3.49Å; N84-D87 VanDerWaalsContact O-CB 3.26Å; N84-D87 WeakPolarHBondContact O-CB 3.46Å; N84-D87 VanDerWaalsContact O-CG 3.24Å; N84-D87 PolarHBondContact O-N 3.46Å; N84-V194 WeakPolarHBondContact O-CB 3.45Å
85	V	93.1	Very high	97.2	Very high	29 Å²	29	29.8 Å²	29.8	18%	0.176	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	122.6	176.1	173.7	0	0	0	0	111.6	V194 F209 K212	V85-V194 WeakPolarHBondContact CA-O 3.33Å; V85-V194 HydrophobicContact CG2-CG1 4.44Å; V85-F209 HydrophobicContact CG1-CB 3.49Å; V85-F209 VanDerWaalsContact CG1-CB 3.49Å; V85-F209 HydrophobicContact CG1-CD1 3.83Å; V85-F209 HydrophobicContact CG1-CD2 3.9Å; V85-F209 HydrophobicContact CG1-CG 3.48Å; V85-F209 VanDerWaalsContact CG1-CG 3.48Å; V85-F209 HydrophobicContact CG2-CD2 3.97Å; V85-F209 HydrophobicContact CG2-CE2 4.34Å; V85-F209 HydrophobicContact CG2-CG 4.42Å; V85-K212 HydrophobicContact CG1-CD 4.19Å; V85-K212 PolarHBondContact O-NZ 3.48Å
86	G	93.5	Very high	97.2	Very high	13 Å²	13	30 Å²	30	13%	0.134	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	-12.2	-177.6	0	0	0	0	0	114.7	N84 V194 S216	N84-G86 PolarHBondContact O-N 2.93Å; G86-V194 PolarHBondContact N-O 3.04Å; G86-S216 PolarHBondContact O-OG 3.39Å
87	D	97.7	Very high	97.2	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.091	17%	0.165	C	C	.	.			trans	-60.6	138.4	173.8	-70.2	-8.4	0	0	0	109.9	L83 N84 T138 A193 V194	L83-D87 HydrophobicContact CD2-CB 4.14Å; N84-D87 PolarHBondContact N-OD2 3.49Å; N84-D87 VanDerWaalsContact O-CB 3.26Å; N84-D87 WeakPolarHBondContact O-CB 3.46Å; N84-D87 VanDerWaalsContact O-CG 3.24Å; N84-D87 PolarHBondContact O-N 3.46Å; D87-T138 HydrophobicContact CB-CG2 4.35Å; D87-T138 WeakPolarHBondContact OD1-CB 3.41Å; D87-T138 WeakPolarHBondContact OD1-CG2 3.38Å; D87-A193 CarbonylContact O-C 3.55Å; D87-A193 VanDerWaalsContact O-CA 3.25Å; D87-A193 WeakPolarHBondContact O-CA 3.26Å; D87-V194 HydrophobicContact CB-CG2 4.27Å; D87-V194 PolarHBondContact O-N 2.98Å
88	V	98.5	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.7	-178.9	178.5	0	0	0	0	110.3	I90 V132 L137 T138 A139 K140 V191 R192 S216 T220	V88-I90 HydrophobicContact CG1-CG1 4.38Å; V88-V132 HydrophobicContact CB-CG1 4.31Å; V88-V132 HydrophobicContact CG1-CG1 3.94Å; V88-L137 HydrophobicContact CG2-CB 4.47Å; V88-L137 HydrophobicContact CG2-CD1 4.03Å; V88-T138 PolarHBondContact N-O 3.39Å; V88-A139 HydrophobicContact CB-CB 3.93Å; V88-A139 HydrophobicContact CG1-CB 4.42Å; V88-A139 CarbonylContact O-C 3.21Å; V88-A139 WeakPolarHBondContact O-CA 3.3Å; V88-K140 PolarHBondContact O-N 2.82Å; V88-V191 HydrophobicContact CG1-CG1 4.11Å; V88-R192 CarbonylContact C-O 3.49Å; V88-S216 WeakPolarHBondContact CG2-OG 3.45Å; V88-T220 HydrophobicContact CG1-CG2 4.22Å
89	L	98.8	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.1	-177.5	-58.1	174.4	0	0	0	108.7	A76 L83 I144 M168 A169 V191 R192 V194	A76-L89 HydrophobicContact CB-CD1 3.88Å; L83-L89 HydrophobicContact CD1-CD2 3.65Å; L83-L89 HydrophobicContact CD2-CD2 3.81Å; L83-L89 HydrophobicContact CG-CD2 4.39Å; L89-I144 HydrophobicContact CB-CD1 4.13Å; L89-M168 HydrophobicContact CB-CE 4.02Å; L89-M168 HydrophobicContact CD2-CE 4.13Å; L89-M168 HydrophobicContact CD2-SD 4.25Å; L89-A169 HydrophobicContact CD1-CB 3.53Å; L89-V191 CarbonylContact O-C 3.6Å; L89-V191 VanDerWaalsContact O-CA 3.3Å; L89-V191 WeakPolarHBondContact O-CA 3.36Å; L89-R192 HydrophobicContact CB-CB 4.49Å; L89-R192 PolarHBondContact N-O 2.91Å; L89-R192 PolarHBondContact O-N 3.02Å; L89-V194 HydrophobicContact CD1-CG2 3.92Å; L89-V194 HydrophobicContact CD2-CG2 4.08Å; L89-V194 HydrophobicContact CG-CG2 4.11Å
90	I	98.8	Very high	97.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.1	178.2	-48.3	168.8	0	0	0	107	V88 I125 V128 V132 K140 V141 G142 M168 V189 V190	V88-I90 HydrophobicContact CG1-CG1 4.38Å; I90-I125 HydrophobicContact CG2-CG1 4.46Å; I90-I125 HydrophobicContact CG2-CG2 4.21Å; I90-V128 HydrophobicContact CD1-CB 4.07Å; I90-V128 HydrophobicContact CD1-CG1 3.48Å; I90-V128 VanDerWaalsContact CD1-CG1 3.48Å; I90-V128 HydrophobicContact CG1-CB 4.47Å; I90-V128 HydrophobicContact CG1-CG1 3.65Å; I90-V128 HydrophobicContact CG2-CB 4.31Å; I90-V128 HydrophobicContact CG2-CG1 4.27Å; I90-V132 HydrophobicContact CD1-CG1 4.48Å; I90-V132 HydrophobicContact CD1-CG2 4.32Å; I90-K140 PolarHBondContact N-O 3.46Å; I90-V141 HydrophobicContact CB-CG2 4.07Å; I90-V141 HydrophobicContact CD1-CG2 4.07Å; I90-V141 CarbonylContact O-C 3.58Å; I90-V141 VanDerWaalsContact O-CA 3.22Å; I90-V141 WeakPolarHBondContact O-CA 3.36Å; I90-G142 PolarHBondContact O-N 3.19Å; I90-M168 WeakPolarHBondContact O-CE 3.34Å; I90-V189 HydrophobicContact CG2-CG2 4.07Å; I90-V190 WeakPolarHBondContact CA-O 3.37Å
91	S	98.7	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.7	177.3	70.5	0	0	0	0	111.6	S120 G142 V190	S91-S120 WeakPolarHBondContact O-CB 3.34Å; S91-S120 PolarHBondContact O-OG 2.79Å; S91-S120 VanDerWaalsContact O-OG 3.1Å; S91-S120 PolarHBondContact OG-OG 2.76Å; S91-G142 WeakPolarHBondContact CA-O 3.39Å; S91-V190 PolarHBondContact N-O 3.02Å; S91-V190 VanDerWaalsContact OG-CB 3.25Å; S91-V190 WeakPolarHBondContact OG-CB 3.33Å; S91-V190 WeakPolarHBondContact OG-CG2 3.36Å
92	D	98.6	Very high	97.6	Very high	62 Å²	62	31.5 Å²	31.5	33%	0.332	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-45	157.6	54.7	1.4	0	0	0	110.5	Q119 S120 I125 V141 G142 L143	D92-Q119 WeakPolarHBondContact O-CA 3.39Å; D92-S120 PolarHBondContact O-N 2.7Å; D92-I125 HydrophobicContact CB-CD1 4.37Å; D92-V141 HydrophobicContact CB-CG1 3.94Å; D92-G142 PolarHBondContact N-O 3.45Å; D92-G142 VanDerWaalsContact OD1-CA 3.24Å; D92-G142 WeakPolarHBondContact OD1-CA 3.09Å; D92-G142 VanDerWaalsContact OD1-O 3.12Å; D92-L143 PolarHBondContact OD1-N 3.17Å
93	D	98.6	Very high	97.7	Very high	40 Å²	40	32.3 Å²	32.3	21%	0.214	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.6	174.4	-68.1	-41.4	0	0	0	110.2	A117 F118 Q119 L143 I144	D93-A117 HydrophobicContact CB-CB 4.11Å; D93-F118 WeakPolarHBondContact CA-O 3.2Å; D93-Q119 VanDerWaalsContact OD1-CG 3.24Å; D93-Q119 WeakPolarHBondContact OD1-CG 3.48Å; D93-Q119 PolarHBondContact OD1-NE2 3.1Å; D93-L143 HydrophobicContact CB-CD1 4.17Å; D93-I144 PolarHBondContact O-N 3.33Å
94	V	98.9	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.1	165	-58.8	0	0	0	0	112.4	F118 I144 A174 T175 A178 F188 V190	V94-F118 HydrophobicContact CG2-CB 3.93Å; V94-F118 PolarHBondContact N-O 2.84Å; V94-F118 PolarHBondContact O-N 3.05Å; V94-I144 VanDerWaalsContact CA-O 3.22Å; V94-I144 WeakPolarHBondContact CA-O 3.35Å; V94-I144 HydrophobicContact CG1-CB 4.16Å; V94-A174 HydrophobicContact CG1-CB 4.44Å; V94-T175 HydrophobicContact CG2-CG2 4.26Å; V94-A178 HydrophobicContact CG2-CB 3.31Å; V94-F188 HydrophobicContact CG2-CE2 4.44Å; V94-F188 HydrophobicContact CG2-CZ 4.46Å; V94-V190 HydrophobicContact CG1-CG2 4.02Å
95	K	98.8	Very high	98	Very high	41 Å²	41	38.3 Å²	38.3	18%	0.178	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.3	-178	-66.2	-172.4	174.5	-170.2	0	111.9	V116 A117 L143 I144 V145 S146 F164 T175	K95-V116 WeakPolarHBondContact CE-O 3.46Å; K95-V116 WeakPolarHBondContact CG-O 3.35Å; K95-A117 HydrophobicContact CD-CB 4.24Å; K95-A117 HydrophobicContact CG-CB 3.83Å; K95-L143 HydrophobicContact CB-CD1 4.2Å; K95-L143 HydrophobicContact CD-CD1 4.17Å; K95-L143 HydrophobicContact CG-CD1 3.86Å; K95-I144 PolarHBondContact N-O 2.82Å; K95-V145 HydrophobicContact CB-CG1 4.31Å; K95-V145 CarbonylContact O-C 3.49Å; K95-V145 WeakPolarHBondContact O-CA 3.29Å; K95-V145 WeakPolarHBondContact O-CB 3.08Å; K95-S146 PolarHBondContact O-N 2.98Å; K95-F164 HydrophobicContact CB-CE1 4.43Å; K95-F164 HydrophobicContact CD-CD1 4.26Å; K95-F164 HydrophobicContact CD-CE1 4.05Å; K95-T175 VanDerWaalsContact C-OG1 3.29Å; K95-T175 PolarHBondContact N-OG1 3.32Å; K95-T175 PolarHBondContact O-OG1 3.09Å; K95-T175 VanDerWaalsContact O-OG1 3.07Å
96	Y	98.9	Very high	98.3	Very high	14 Å²	14	40.4 Å²	40.4	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.1	168.6	-64.5	-67.1	0	0	0	110.1	K51 A99 G109 I111 F118 S146 F164 T175 A176 Q179	K51-Y96 HydrophobicContact CD-CD1 3.52Å; K51-Y96 HydrophobicContact CD-CE1 3.28Å; K51-Y96 HydrophobicContact CG-CE1 4.03Å; Y96-A99 HydrophobicContact CG-CB 4.39Å; Y96-G109 WeakPolarHBondContact O-CA 3.37Å; Y96-I111 HydrophobicContact CD2-CD1 4.18Å; Y96-I111 HydrophobicContact CD2-CG1 3.6Å; Y96-I111 HydrophobicContact CE2-CD1 4.33Å; Y96-I111 HydrophobicContact CE2-CG1 3.57Å; Y96-F118 HydrophobicContact CE2-CE2 4.18Å; Y96-S146 CarbonylContact C-O 3.4Å; Y96-S146 VanDerWaalsContact CA-O 3.28Å; Y96-S146 WeakPolarHBondContact CA-O 3.45Å; Y96-F164 WeakPolarHBondContact O-CZ 3.49Å; Y96-T175 HydrophobicContact CD1-CG2 3.73Å; Y96-T175 HydrophobicContact CD2-CG2 3.61Å; Y96-T175 HydrophobicContact CE1-CG2 3.56Å; Y96-T175 HydrophobicContact CE2-CG2 3.47Å; Y96-T175 VanDerWaalsContact CE2-CG2 3.47Å; Y96-T175 HydrophobicContact CG-CG2 3.76Å; Y96-T175 VanDerWaalsContact CZ-CG2 3.46Å; Y96-T175 PolarHBondContact OH-O 2.85Å; Y96-A176 VanDerWaalsContact OH-CA 3.24Å; Y96-A176 WeakPolarHBondContact OH-CA 3.47Å; Y96-A176 PolarHBondContact OH-N 3.44Å; Y96-Q179 VanDerWaalsContact CE2-OE1 3.29Å; Y96-Q179 PolarHBondContact OH-OE1 3.34Å
97	H	98.6	Very high	98.5	Very high	14 Å²	14	45 Å²	45	7%	0.065	26%	0.256	C	S	.	.	S	Bend	trans	-91.2	-3.7	172.9	71.7	73.1	0	0	0	113.6	Y108 V145 S146 G147 I160 F164	H97-Y108 WeakPolarHBondContact O-CE1 3.32Å; H97-Y108 PolarHBondContact O-OH 2.9Å; H97-V145 HydrophobicContact CB-CB 3.96Å; H97-V145 HydrophobicContact CB-CG2 3.93Å; H97-S146 PolarHBondContact CD2-O 2.9Å; H97-S146 VanDerWaalsContact CD2-O 3.28Å; H97-S146 PolarHBondContact N-O 2.72Å; H97-G147 PolarHBondContact CD2-N 2.73Å; H97-G147 WeakPolarHBondContact NE2-CA 3.46Å; H97-G147 PolarHBondContact NE2-N 3.39Å; H97-I160 HydrophobicContact CB-CD1 4.48Å; H97-I160 HydrophobicContact CB-CG1 4.22Å; H97-I160 HydrophobicContact CB-CG2 4.22Å; H97-F164 VanDerWaalsContact CA-CE2 3.49Å; H97-F164 HydrophobicContact CB-CD2 4.12Å; H97-F164 HydrophobicContact CB-CE2 3.72Å
98	D	98.3	Very high	98.5	Very high	57 Å²	57	47.6 Å²	47.6	31%	0.305	27%	0.265	S	S	.	.	S	Bend	trans	-122.7	0.1	-173.6	68.2	-9.9	0	0	0	114	K51 G147 D148	K51-D98 IonicContact NZ-OD1 3.02Å; K51-D98 PolarHBondContact NZ-OD1 2.93Å; K51-D98 IonicContact NZ-OD2 3.46Å; K51-D98 PolarHBondContact NZ-OD2 3.33Å; D98-G147 VanDerWaalsContact OD2-CA 3.25Å; D98-G147 WeakPolarHBondContact OD2-CA 3.39Å; D98-D148 PolarHBondContact OD2-N 2.85Å
99	A	98.4	Very high	98.5	Very high	11 Å²	11	47.7 Å²	47.7	9%	0.091	27%	0.266	C	S	.	.			trans	-83.4	128.8	173.9	0	0	0	0	0	111	Y96 G109 I111	Y96-A99 HydrophobicContact CG-CB 4.39Å; A99-G109 VanDerWaalsContact O-CA 3.31Å; A99-G109 WeakPolarHBondContact O-CA 3.31Å; A99-G109 PolarHBondContact O-N 2.95Å; A99-I111 HydrophobicContact CB-CD1 3.66Å; A99-I111 HydrophobicContact CB-CG1 4.38Å
100	D	98.4	Very high	98.5	Very high	100 Å²	100	49 Å²	49	54%	0.535	27%	0.272	S	S	.	.			trans	-136.7	101.7	178.4	-167.7	-12.4	0	0	0	111.3	T102 Y108	D100-T102 VanDerWaalsContact OD1-CB 3.31Å; D100-T102 WeakPolarHBondContact OD1-CB 3.46Å; D100-T102 VanDerWaalsContact OD1-CG2 3.25Å; D100-T102 WeakPolarHBondContact OD1-CG2 3.26Å; D100-T102 PolarHBondContact OD1-N 3.29Å; D100-T102 PolarHBondContact OD1-OG1 3.07Å; D100-Y108 HydrophobicContact CB-CD2 4.02Å; D100-Y108 HydrophobicContact CB-CE2 3.78Å
101	A	98.4	Very high	98.5	Very high	8 Å²	8	51.5 Å²	51.5	7%	0.066	29%	0.285	C	S	.	.			trans	-116.8	24.9	170.8	0	0	0	0	0	111.6	A103 F104 Y106 P112	A101-A103 PolarHBondContact O-N 3.43Å; A101-F104 PolarHBondContact O-N 2.85Å; A101-Y106 HydrophobicContact CB-CD2 3.86Å; A101-Y106 HydrophobicContact CB-CG 4.23Å; A101-P112 HydrophobicContact CB-CG 3.64Å
102	T	98.3	Very high	98.5	Very high	69 Å²	69	54 Å²	54	42%	0.423	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.1	-176.9	57.8	0	0	0	0	113	D100 F104 G105 Y106 Y108	D100-T102 VanDerWaalsContact OD1-CB 3.31Å; D100-T102 WeakPolarHBondContact OD1-CB 3.46Å; D100-T102 VanDerWaalsContact OD1-CG2 3.25Å; D100-T102 WeakPolarHBondContact OD1-CG2 3.26Å; D100-T102 PolarHBondContact OD1-N 3.29Å; D100-T102 PolarHBondContact OD1-OG1 3.07Å; T102-F104 PolarHBondContact O-N 3.35Å; T102-G105 PolarHBondContact O-N 2.84Å; T102-Y106 WeakPolarHBondContact CA-O 3.22Å; T102-Y108 HydrophobicContact CG2-CD2 4.44Å
103	A	98.3	Very high	98.4	Very high	89 Å²	89	59 Å²	59	74%	0.736	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-56.3	-21.3	171.8	0	0	0	0	0	113.7	A101	A101-A103 PolarHBondContact O-N 3.43Å
104	F	98.2	Very high	98.4	Very high	165 Å²	165	58.6 Å²	58.6	72%	0.724	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-110.5	12.9	178.4	-52.9	-71.6	0	0	0	113.1	A101 T102 Y106	A101-F104 PolarHBondContact O-N 2.85Å; T102-F104 PolarHBondContact O-N 3.35Å; F104-Y106 HydrophobicContact CB-CD2 3.97Å; F104-Y106 HydrophobicContact CB-CE2 4.1Å
105	G	98	Very high	98.4	Very high	74 Å²	74	60.4 Å²	60.4	76%	0.763	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	9.7	176.9	0	0	0	0	0	115.7	T102	T102-G105 PolarHBondContact O-N 2.84Å
106	Y	98.5	Very high	98.4	Very high	74 Å²	74	60.3 Å²	60.3	29%	0.29	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-78.6	159	171.1	-67.4	-81.3	0	0	0	111.7	A101 T102 F104 Q110 P112 Q113	A101-Y106 HydrophobicContact CB-CD2 3.86Å; A101-Y106 HydrophobicContact CB-CG 4.23Å; T102-Y106 WeakPolarHBondContact CA-O 3.22Å; F104-Y106 HydrophobicContact CB-CD2 3.97Å; F104-Y106 HydrophobicContact CB-CE2 4.1Å; Y106-Q110 HydrophobicContact CD1-CG 4.16Å; Y106-P112 HydrophobicContact CD2-CB 4.38Å; Y106-P112 HydrophobicContact CD2-CG 4.27Å; Y106-P112 HydrophobicContact CE1-CB 4.41Å; Y106-P112 HydrophobicContact CE2-CB 3.81Å; Y106-P112 HydrophobicContact CE2-CG 4.12Å; Y106-Q113 PolarHBondContact OH-N 2.93Å
107	E	98.3	Very high	98.4	Very high	108 Å²	108	60.6 Å²	60.6	51%	0.505	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.2	150.3	171.4	-70.4	-169.7	-151.9	0	0	111.5	G109 Q110 V116	E107-G109 PolarHBondContact O-N 2.9Å; E107-Q110 HydrophobicContact CB-CB 4.26Å; E107-Q110 VanDerWaalsContact N-OE1 3.11Å; E107-Q110 VanDerWaalsContact O-CB 3.24Å; E107-Q110 WeakPolarHBondContact O-CB 3.24Å; E107-Q110 PolarHBondContact O-N 3.43Å; E107-V116 HydrophobicContact CB-CG1 4.3Å; E107-V116 HydrophobicContact CB-CG2 4.39Å; E107-V116 HydrophobicContact CG-CG1 4.45Å; E107-V116 HydrophobicContact CG-CG2 4.23Å; E107-V116 WeakPolarHBondContact OE2-CG1 3.38Å
108	Y	98.5	Very high	98.4	Very high	72 Å²	72	60.3 Å²	60.3	28%	0.282	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	130.9	170.4	-170.9	-99.5	0	0	0	109.7	H97 D100 T102 A163 F164	H97-Y108 WeakPolarHBondContact O-CE1 3.32Å; H97-Y108 PolarHBondContact O-OH 2.9Å; D100-Y108 HydrophobicContact CB-CD2 4.02Å; D100-Y108 HydrophobicContact CB-CE2 3.78Å; T102-Y108 HydrophobicContact CG2-CD2 4.44Å; Y108-A163 HydrophobicContact CD1-CB 3.73Å; Y108-A163 HydrophobicContact CE1-CB 3.74Å; Y108-F164 AromaticContact CD1-CE2 3.79Å; Y108-F164 HydrophobicContact CD1-CE2 3.79Å; Y108-F164 AromaticContact CD1-CZ 3.65Å; Y108-F164 HydrophobicContact CD1-CZ 3.65Å; Y108-F164 AromaticContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CZ 4.05Å
109	G	98.4	Very high	98.4	Very high	2 Å²	2	64 Å²	64	2%	0.021	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	-6.3	-172.2	0	0	0	0	0	115.4	Y96 A99 E107	Y96-G109 WeakPolarHBondContact O-CA 3.37Å; A99-G109 VanDerWaalsContact O-CA 3.31Å; A99-G109 WeakPolarHBondContact O-CA 3.31Å; A99-G109 PolarHBondContact O-N 2.95Å; E107-G109 PolarHBondContact O-N 2.9Å
110	Q	98.6	Very high	98.4	Very high	27 Å²	27	63.7 Å²	63.7	13%	0.126	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-91.4	123.9	178.1	-174.3	-179.1	15.5	0	0	111.3	Y106 E107 M114 V116	Y106-Q110 HydrophobicContact CD1-CG 4.16Å; E107-Q110 HydrophobicContact CB-CB 4.26Å; E107-Q110 VanDerWaalsContact N-OE1 3.11Å; E107-Q110 VanDerWaalsContact O-CB 3.24Å; E107-Q110 WeakPolarHBondContact O-CB 3.24Å; E107-Q110 PolarHBondContact O-N 3.43Å; Q110-M114 PolarHBondContact NE2-O 3.38Å; Q110-V116 HydrophobicContact CG-CG2 4.32Å
111	I	98.5	Very high	98.4	Very high	54 Å²	54	60.4 Å²	60.4	28%	0.277	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-72.6	134.7	166.8	-62.2	-65.2	0	0	0	108.8	Y96 A99 Q113 M114	Y96-I111 HydrophobicContact CD2-CD1 4.18Å; Y96-I111 HydrophobicContact CD2-CG1 3.6Å; Y96-I111 HydrophobicContact CE2-CD1 4.33Å; Y96-I111 HydrophobicContact CE2-CG1 3.57Å; A99-I111 HydrophobicContact CB-CD1 3.66Å; A99-I111 HydrophobicContact CB-CG1 4.38Å; I111-Q113 PolarHBondContact O-N 3.23Å; I111-M114 HydrophobicContact CB-CB 4.12Å; I111-M114 HydrophobicContact CB-CG 3.93Å; I111-M114 HydrophobicContact CG2-CB 4.5Å; I111-M114 HydrophobicContact CG2-CG 3.82Å; I111-M114 WeakPolarHBondContact O-CB 3.27Å; I111-M114 PolarHBondContact O-N 3.3Å
112	P	98.5	Very high	98.4	Very high	53 Å²	53	67.2 Å²	67.2	34%	0.344	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	136.9	177.7	-31.2	36.7	0	0	0	113	A101 Y106 M114	A101-P112 HydrophobicContact CB-CG 3.64Å; Y106-P112 HydrophobicContact CD2-CB 4.38Å; Y106-P112 HydrophobicContact CD2-CG 4.27Å; Y106-P112 HydrophobicContact CE1-CB 4.41Å; Y106-P112 HydrophobicContact CE2-CB 3.81Å; Y106-P112 HydrophobicContact CE2-CG 4.12Å; P112-M114 PolarHBondContact O-N 2.88Å; P112-M114 VanDerWaalsContact O-N 3.16Å
113	Q	97.8	Very high	98.4	Very high	167 Å²	167	67.7 Å²	67.7	78%	0.78	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	5.5	-177.9	-54.2	173.1	79.4	0	0	115.5	Y106 I111	Y106-Q113 PolarHBondContact OH-N 2.93Å; I111-Q113 PolarHBondContact O-N 3.23Å
114	M	98.6	Very high	98.5	Very high	32 Å²	32	63.8 Å²	63.8	16%	0.158	34%	0.335	C	S	.	.	S	Bend	trans	-102.6	163.2	172	-61.3	-63.2	99.4	0	0	111	Q110 I111 P112 F118 Q179 Q183	Q110-M114 PolarHBondContact NE2-O 3.38Å; I111-M114 HydrophobicContact CB-CB 4.12Å; I111-M114 HydrophobicContact CB-CG 3.93Å; I111-M114 HydrophobicContact CG2-CB 4.5Å; I111-M114 HydrophobicContact CG2-CG 3.82Å; I111-M114 WeakPolarHBondContact O-CB 3.27Å; I111-M114 PolarHBondContact O-N 3.3Å; P112-M114 PolarHBondContact O-N 2.88Å; P112-M114 VanDerWaalsContact O-N 3.16Å; M114-F118 HydrophobicContact CB-CZ 4Å; M114-F118 HydrophobicContact CG-CZ 4.42Å; M114-Q179 HydrophobicContact SD-CG 4.36Å; M114-Q183 VanDerWaalsContact CE-NE2 3.32Å; M114-Q183 PolarHBondContact SD-NE2 2.59Å
115	P	98.5	Very high	98.5	Very high	37 Å²	37	57.1 Å²	57.1	24%	0.24	31%	0.306	C	S	.	.			trans	-56	153.5	168.5	-24.9	35.3	0	0	0	112.8	A117 F118 Y182	P115-A117 VanDerWaalsContact CB-O 3.27Å; P115-A117 WeakPolarHBondContact CB-O 3.41Å; P115-A117 PolarHBondContact O-N 3.42Å; P115-F118 HydrophobicContact CG-CE1 4.29Å; P115-Y182 HydrophobicContact CG-CD2 4.16Å; P115-Y182 HydrophobicContact CG-CE1 3.95Å; P115-Y182 HydrophobicContact CG-CE2 3.55Å; P115-Y182 VanDerWaalsContact CG-CZ 3.44Å
116	V	97.9	Very high	98.5	Very high	40 Å²	40	59.1 Å²	59.1	24%	0.242	30%	0.296	C	S	.	.	S	Bend	trans	-64	-30.2	173.4	171.9	0	0	0	0	112	K95 E107 Q110	K95-V116 WeakPolarHBondContact CE-O 3.46Å; K95-V116 WeakPolarHBondContact CG-O 3.35Å; E107-V116 HydrophobicContact CB-CG1 4.3Å; E107-V116 HydrophobicContact CB-CG2 4.39Å; E107-V116 HydrophobicContact CG-CG1 4.45Å; E107-V116 HydrophobicContact CG-CG2 4.23Å; E107-V116 WeakPolarHBondContact OE2-CG1 3.38Å; Q110-V116 HydrophobicContact CG-CG2 4.32Å
117	A	98.6	Very high	98.5	Very high	19 Å²	19	58.6 Å²	58.6	16%	0.157	30%	0.295	C	S	.	.	S	Bend	trans	-144.2	149	176.7	0	0	0	0	0	109.5	D93 K95 P115	D93-A117 HydrophobicContact CB-CB 4.11Å; K95-A117 HydrophobicContact CD-CB 4.24Å; K95-A117 HydrophobicContact CG-CB 3.83Å; P115-A117 VanDerWaalsContact CB-O 3.27Å; P115-A117 WeakPolarHBondContact CB-O 3.41Å; P115-A117 PolarHBondContact O-N 3.42Å
118	F	98.9	Very high	98.5	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.6	171.9	-57.9	-85.4	0	0	0	109.1	D93 V94 Y96 M114 P115 T175 A178 Q179 Y182 F188	D93-F118 WeakPolarHBondContact CA-O 3.2Å; V94-F118 HydrophobicContact CG2-CB 3.93Å; V94-F118 PolarHBondContact N-O 2.84Å; V94-F118 PolarHBondContact O-N 3.05Å; Y96-F118 HydrophobicContact CE2-CE2 4.18Å; M114-F118 HydrophobicContact CB-CZ 4Å; M114-F118 HydrophobicContact CG-CZ 4.42Å; P115-F118 HydrophobicContact CG-CE1 4.29Å; F118-T175 HydrophobicContact CD2-CG2 3.73Å; F118-T175 HydrophobicContact CE2-CG2 3.92Å; F118-A178 HydrophobicContact CB-CB 3.68Å; F118-A178 HydrophobicContact CG-CB 4.22Å; F118-Q179 HydrophobicContact CD1-CB 4.41Å; F118-Q179 HydrophobicContact CE1-CB 3.82Å; F118-Q179 HydrophobicContact CE1-CG 3.9Å; F118-Q179 HydrophobicContact CE2-CB 3.93Å; F118-Q179 HydrophobicContact CE2-CG 4.39Å; F118-Q179 HydrophobicContact CZ-CB 3.54Å; F118-Q179 HydrophobicContact CZ-CG 3.59Å; F118-Y182 HydrophobicContact CD1-CD2 4.34Å; F118-Y182 AromaticContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CE1-CD1 4.09Å; F118-Y182 AromaticContact CE1-CG 3.99Å; F118-Y182 HydrophobicContact CE1-CG 3.99Å; F118-F188 HydrophobicContact CB-CZ 4.2Å
119	Q	98.8	Very high	98.5	Very high	134 Å²	134	52 Å²	52	63%	0.626	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.3	-173.6	-42.4	-154.4	-85.6	0	0	110.6	D92 D93 F188	D92-Q119 WeakPolarHBondContact O-CA 3.39Å; D93-Q119 VanDerWaalsContact OD1-CG 3.24Å; D93-Q119 WeakPolarHBondContact OD1-CG 3.48Å; D93-Q119 PolarHBondContact OD1-NE2 3.1Å; Q119-F188 WeakPolarHBondContact O-CE1 3.27Å; Q119-F188 WeakPolarHBondContact O-CZ 3.31Å
120	S	98.8	Very high	98.4	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.042	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.2	151.1	168	-80.3	0	0	0	0	110.8	S91 D92 K122 F188	S91-S120 WeakPolarHBondContact O-CB 3.34Å; S91-S120 PolarHBondContact O-OG 2.79Å; S91-S120 VanDerWaalsContact O-OG 3.1Å; S91-S120 PolarHBondContact OG-OG 2.76Å; D92-S120 PolarHBondContact O-N 2.7Å; S120-K122 PolarHBondContact O-N 3.39Å; S120-F188 WeakPolarHBondContact OG-CE2 3.25Å
121	S	98.8	Very high	98.4	Very high	30 Å²	30	55.1 Å²	55.1	21%	0.21	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-64.6	117.8	178.8	177.1	0	0	0	0	110.9	P123 L124 I125 F188	S121-P123 WeakPolarHBondContact OG-CD 3.49Å; S121-L124 WeakPolarHBondContact O-CA 3.4Å; S121-L124 WeakPolarHBondContact O-CB 3.34Å; S121-L124 PolarHBondContact O-N 3.19Å; S121-I125 WeakPolarHBondContact O-CG1 3.46Å; S121-I125 PolarHBondContact O-N 3.02Å; S121-F188 WeakPolarHBondContact CB-O 3.25Å; S121-F188 PolarHBondContact N-O 2.97Å
122	K	98.5	Very high	98.3	Very high	152 Å²	152	53 Å²	53	66%	0.661	28%	0.275	S	S	*	.	H	α-helix	trans	-53	-47	179.9	-64.5	-178.7	179.6	-179.4	0	113.4	S120 L124 I125 E126	S120-K122 PolarHBondContact O-N 3.39Å; K122-L124 PolarHBondContact O-N 3.18Å; K122-I125 PolarHBondContact O-N 3.27Å; K122-E126 WeakPolarHBondContact O-CG 3.3Å; K122-E126 PolarHBondContact O-N 3.17Å
123	P	98.5	Very high	98.1	Very high	78 Å²	78	57.7 Å²	57.7	51%	0.506	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-32.6	174.5	-26.2	35	0	0	0	114	S121 K127	S121-P123 WeakPolarHBondContact OG-CD 3.49Å; P123-K127 WeakPolarHBondContact O-CG 3.34Å; P123-K127 PolarHBondContact O-N 2.89Å
124	L	98.8	Very high	98	Very high	7 Å²	7	56 Å²	56	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-73.9	-43.2	176.2	-63.7	-179.1	0	0	0	111.2	V69 S121 K122 E126 K127 V128 P187 V189 L228	V69-L124 HydrophobicContact CB-CD1 4.07Å; V69-L124 HydrophobicContact CG1-CD1 4.19Å; V69-L124 HydrophobicContact CG1-CD2 4.31Å; S121-L124 WeakPolarHBondContact O-CA 3.4Å; S121-L124 WeakPolarHBondContact O-CB 3.34Å; S121-L124 PolarHBondContact O-N 3.19Å; K122-L124 PolarHBondContact O-N 3.18Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 2.95Å; L124-K127 PolarHBondContact O-N 3.2Å; L124-V128 VanDerWaalsContact O-CG2 3.3Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.48Å; L124-P187 HydrophobicContact CD1-CB 4.47Å; L124-V189 HydrophobicContact CB-CB 3.74Å; L124-V189 HydrophobicContact CB-CG1 3.88Å; L124-V189 HydrophobicContact CB-CG2 4.36Å; L124-V189 HydrophobicContact CD1-CB 4.13Å; L124-V189 HydrophobicContact CD1-CG1 4.05Å; L124-L228 HydrophobicContact CD2-CD1 4.47Å; L124-L228 HydrophobicContact CD2-CD2 3.54Å
125	I	98.7	Very high	97.7	Very high	25 Å²	25	57.9 Å²	57.9	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-44.7	175.3	-62.3	168.2	0	0	0	110.7	I90 D92 S121 K122 V128 S129 V141 V189	I90-I125 HydrophobicContact CG2-CG1 4.46Å; I90-I125 HydrophobicContact CG2-CG2 4.21Å; D92-I125 HydrophobicContact CB-CD1 4.37Å; S121-I125 WeakPolarHBondContact O-CG1 3.46Å; S121-I125 PolarHBondContact O-N 3.02Å; K122-I125 PolarHBondContact O-N 3.27Å; I125-V128 PolarHBondContact O-N 3.4Å; I125-S129 VanDerWaalsContact O-CB 3.25Å; I125-S129 WeakPolarHBondContact O-CB 3.46Å; I125-S129 PolarHBondContact O-N 2.9Å; I125-S129 PolarHBondContact O-OG 3.41Å; I125-V141 HydrophobicContact CG2-CG1 4.09Å; I125-V141 HydrophobicContact CG2-CG2 4.36Å; I125-V189 HydrophobicContact CG1-CG2 4.33Å
126	E	98.4	Very high	97.5	Very high	117 Å²	117	64.7 Å²	64.7	55%	0.547	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-46.7	178.1	-73.2	170.8	-169.3	0	0	111.6	K122 L124 S129 Q130	K122-E126 WeakPolarHBondContact O-CG 3.3Å; K122-E126 PolarHBondContact O-N 3.17Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 2.95Å; E126-S129 PolarHBondContact O-N 3.02Å; E126-Q130 WeakPolarHBondContact O-CG 3.22Å; E126-Q130 PolarHBondContact O-N 3.28Å
127	K	98.4	Very high	97.2	Very high	63 Å²	63	65.4 Å²	65.4	27%	0.274	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-44	176.7	-73.2	-176.7	178.4	-163	0	112.3	P123 L124 S129 Q130 V131 L224 Q227 L228	P123-K127 WeakPolarHBondContact O-CG 3.34Å; P123-K127 PolarHBondContact O-N 2.89Å; L124-K127 PolarHBondContact O-N 3.2Å; K127-S129 VanDerWaalsContact C-N 3.3Å; K127-S129 PolarHBondContact O-N 3.06Å; K127-Q130 PolarHBondContact O-N 2.96Å; K127-V131 WeakPolarHBondContact O-CG2 3.39Å; K127-V131 PolarHBondContact O-N 3.25Å; K127-L224 HydrophobicContact CB-CD1 3.58Å; K127-Q227 PolarHBondContact NZ-O 2.95Å; K127-L228 HydrophobicContact CD-CD2 3.61Å
128	V	98.3	Very high	97.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-40.8	176.8	-176.7	0	0	0	0	110.6	I90 L124 I125 Q130 V131 V132 V189 V191 T220 L224	I90-V128 HydrophobicContact CD1-CB 4.07Å; I90-V128 HydrophobicContact CD1-CG1 3.48Å; I90-V128 VanDerWaalsContact CD1-CG1 3.48Å; I90-V128 HydrophobicContact CG1-CB 4.47Å; I90-V128 HydrophobicContact CG1-CG1 3.65Å; I90-V128 HydrophobicContact CG2-CB 4.31Å; I90-V128 HydrophobicContact CG2-CG1 4.27Å; L124-V128 VanDerWaalsContact O-CG2 3.3Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.48Å; I125-V128 PolarHBondContact O-N 3.4Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.33Å; V128-V131 WeakPolarHBondContact O-CB 3.35Å; V128-V131 PolarHBondContact O-N 3.41Å; V128-V131 VanDerWaalsContact O-N 3.16Å; V128-V132 HydrophobicContact CG1-CG1 4.39Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.43Å; V128-V189 HydrophobicContact CG2-CG1 4.3Å; V128-V189 HydrophobicContact CG2-CG2 4.29Å; V128-V191 HydrophobicContact CG1-CG1 4.35Å; V128-V191 HydrophobicContact CG1-CG2 3.89Å; V128-V191 HydrophobicContact CG2-CG2 3.8Å; V128-T220 HydrophobicContact CG1-CG2 3.85Å; V128-L224 HydrophobicContact CG2-CD1 3.72Å; V128-L224 HydrophobicContact CG2-CD2 3.46Å; V128-L224 VanDerWaalsContact CG2-CD2 3.46Å; V128-L224 HydrophobicContact CG2-CG 4.1Å
129	S	97.8	Very high	97	Very high	41 Å²	41	70.3 Å²	70.3	29%	0.287	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-37.8	177.4	-65	0	0	0	0	112.1	I125 E126 K127 V132 Q133	I125-S129 VanDerWaalsContact O-CB 3.25Å; I125-S129 WeakPolarHBondContact O-CB 3.46Å; I125-S129 PolarHBondContact O-N 2.9Å; I125-S129 PolarHBondContact O-OG 3.41Å; E126-S129 PolarHBondContact O-N 3.02Å; K127-S129 VanDerWaalsContact C-N 3.3Å; K127-S129 PolarHBondContact O-N 3.06Å; S129-V132 WeakPolarHBondContact O-CG2 3.35Å; S129-Q133 WeakPolarHBondContact O-CB 3.25Å; S129-Q133 PolarHBondContact O-N 3.16Å; S129-Q133 VanDerWaalsContact O-N 3.17Å
130	Q	97.5	Very high	97	Very high	93 Å²	93	67 Å²	67	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-42.9	172.4	-70.5	169.9	12.6	0	0	111.9	E126 K127 V128 Q133 Q134	E126-Q130 WeakPolarHBondContact O-CG 3.22Å; E126-Q130 PolarHBondContact O-N 3.28Å; K127-Q130 PolarHBondContact O-N 2.96Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.33Å; Q130-Q133 PolarHBondContact O-N 3.01Å; Q130-Q134 VanDerWaalsContact O-CG 3.23Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 3.4Å
131	V	97.5	Very high	96.9	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-58.2	-52.4	176.6	166.8	0	0	0	0	111.4	K127 V128 Q133 Q134 Q135 T220 A223 L224 Q227	K127-V131 WeakPolarHBondContact O-CG2 3.39Å; K127-V131 PolarHBondContact O-N 3.25Å; V128-V131 WeakPolarHBondContact O-CB 3.35Å; V128-V131 PolarHBondContact O-N 3.41Å; V128-V131 VanDerWaalsContact O-N 3.16Å; V131-Q133 VanDerWaalsContact C-N 3.29Å; V131-Q133 PolarHBondContact O-N 3.41Å; V131-Q134 PolarHBondContact O-N 2.91Å; V131-Q135 HydrophobicContact CG1-CG 4.5Å; V131-Q135 WeakPolarHBondContact O-CG 3.21Å; V131-Q135 PolarHBondContact O-N 2.7Å; V131-T220 HydrophobicContact CG1-CG2 4.04Å; V131-A223 HydrophobicContact CB-CB 4.5Å; V131-A223 HydrophobicContact CG1-CB 3.43Å; V131-A223 VanDerWaalsContact CG1-CB 3.43Å; V131-A223 HydrophobicContact CG2-CB 4.25Å; V131-L224 HydrophobicContact CG2-CB 4.45Å; V131-Q227 VanDerWaalsContact CG2-CD 3.49Å; V131-Q227 HydrophobicContact CG2-CG 4.3Å
132	V	96.4	Very high	96.9	Very high	10 Å²	10	68.7 Å²	68.7	6%	0.061	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-35.3	-177.7	-61.5	0	0	0	0	111.7	V88 I90 V128 S129 Q135 Q136 L137 A139 T220	V88-V132 HydrophobicContact CB-CG1 4.31Å; V88-V132 HydrophobicContact CG1-CG1 3.94Å; I90-V132 HydrophobicContact CD1-CG1 4.48Å; I90-V132 HydrophobicContact CD1-CG2 4.32Å; V128-V132 HydrophobicContact CG1-CG1 4.39Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.43Å; S129-V132 WeakPolarHBondContact O-CG2 3.35Å; V132-Q135 PolarHBondContact O-N 2.71Å; V132-Q136 PolarHBondContact O-N 3.02Å; V132-L137 HydrophobicContact CB-CB 4.41Å; V132-L137 PolarHBondContact O-N 2.84Å; V132-A139 HydrophobicContact CB-CB 3.78Å; V132-A139 HydrophobicContact CG1-CB 3.94Å; V132-A139 HydrophobicContact CG2-CB 3.62Å; V132-T220 HydrophobicContact CG1-CG2 3.74Å
133	Q	95.6	Very high	97	Very high	152 Å²	152	62.6 Å²	62.6	71%	0.71	33%	0.325	S	S	*	.	H	α-helix	trans	-64.4	-44.3	174.1	-173.2	-178.9	16.2	0	0	111.9	S129 Q130 V131 Q135 Q136	S129-Q133 WeakPolarHBondContact O-CB 3.25Å; S129-Q133 PolarHBondContact O-N 3.16Å; S129-Q133 VanDerWaalsContact O-N 3.17Å; Q130-Q133 PolarHBondContact O-N 3.01Å; V131-Q133 VanDerWaalsContact C-N 3.29Å; V131-Q133 PolarHBondContact O-N 3.41Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q133-Q136 PolarHBondContact O-N 3.05Å
134	Q	95	Very high	97	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.612	30%	0.301	S	S	*	.	H	α-helix	trans	-64.9	-36.9	177.8	-72.1	168.3	10.2	0	0	112.2	Q130 V131 Q136 Q227	Q130-Q134 VanDerWaalsContact O-CG 3.23Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 3.4Å; V131-Q134 PolarHBondContact O-N 2.91Å; Q134-Q136 PolarHBondContact O-N 3.47Å; Q134-Q227 VanDerWaalsContact OE1-NE2 3.1Å
135	Q	93	Very high	97	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.9	177.4	-67.4	178.4	-29.7	0	0	113.3	V131 V132 Q133 L137 Q219 A223	V131-Q135 HydrophobicContact CG1-CG 4.5Å; V131-Q135 WeakPolarHBondContact O-CG 3.21Å; V131-Q135 PolarHBondContact O-N 2.7Å; V132-Q135 PolarHBondContact O-N 2.71Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q135-L137 HydrophobicContact CB-CD1 3.97Å; Q135-L137 HydrophobicContact CB-CG 3.78Å; Q135-L137 PolarHBondContact O-N 3.44Å; Q135-L137 VanDerWaalsContact OE1-CD1 3.25Å; Q135-Q219 PolarHBondContact NE2-O 3.02Å; Q135-A223 VanDerWaalsContact NE2-CB 3.28Å
136	Q	93.3	Very high	97	Very high	180 Å²	180	57.4 Å²	57.4	84%	0.841	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	35.4	-175.9	-58	170.7	43.7	0	0	112.3	V132 Q133 Q134	V132-Q136 PolarHBondContact O-N 3.02Å; Q133-Q136 PolarHBondContact O-N 3.05Å; Q134-Q136 PolarHBondContact O-N 3.47Å
137	L	92.5	Very high	97	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.288	27%	0.267	S	S	.	.			trans	-85.3	143.3	175.9	-64.3	176.9	0	0	0	110.2	V88 V132 Q135 A139	V88-L137 HydrophobicContact CG2-CB 4.47Å; V88-L137 HydrophobicContact CG2-CD1 4.03Å; V132-L137 HydrophobicContact CB-CB 4.41Å; V132-L137 PolarHBondContact O-N 2.84Å; Q135-L137 HydrophobicContact CB-CD1 3.97Å; Q135-L137 HydrophobicContact CB-CG 3.78Å; Q135-L137 PolarHBondContact O-N 3.44Å; Q135-L137 VanDerWaalsContact OE1-CD1 3.25Å; L137-A139 PolarHBondContact O-N 2.82Å
138	T	95	Very high	97	Very high	93 Å²	93	52.3 Å²	52.3	57%	0.571	27%	0.273	S	S	*	.			trans	-68.8	121.4	164.9	-55.7	0	0	0	0	108.2	D87 V88	D87-T138 HydrophobicContact CB-CG2 4.35Å; D87-T138 WeakPolarHBondContact OD1-CB 3.41Å; D87-T138 WeakPolarHBondContact OD1-CG2 3.38Å; V88-T138 PolarHBondContact N-O 3.39Å
139	A	97.1	Very high	97	Very high	38 Å²	38	55 Å²	55	31%	0.314	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.7	179.3	0	0	0	0	0	111.5	V88 V132 L137	V88-A139 HydrophobicContact CB-CB 3.93Å; V88-A139 HydrophobicContact CG1-CB 4.42Å; V88-A139 CarbonylContact O-C 3.21Å; V88-A139 WeakPolarHBondContact O-CA 3.3Å; V132-A139 HydrophobicContact CB-CB 3.78Å; V132-A139 HydrophobicContact CG1-CB 3.94Å; V132-A139 HydrophobicContact CG2-CB 3.62Å; L137-A139 PolarHBondContact O-N 2.82Å
140	K	98.1	Very high	96.9	Very high	65 Å²	65	57.1 Å²	57.1	28%	0.283	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.6	174.8	-165	169.3	-168.1	164.4	0	110.9	D80 S82 L83 V88 I90 M168	D80-K140 VanDerWaalsContact CG-NZ 3.3Å; D80-K140 IonicContact OD1-NZ 2.91Å; D80-K140 IonicContact OD2-NZ 3.43Å; D80-K140 PolarHBondContact OD2-NZ 2.91Å; S82-K140 PolarHBondContact OG-NZ 2.85Å; L83-K140 HydrophobicContact CD2-CB 4.01Å; L83-K140 HydrophobicContact CD2-CD 4.1Å; L83-K140 HydrophobicContact CG-CD 4.47Å; V88-K140 PolarHBondContact O-N 2.82Å; I90-K140 PolarHBondContact N-O 3.46Å; K140-M168 HydrophobicContact CB-SD 4.08Å; K140-M168 HydrophobicContact CD-SD 4.12Å; K140-M168 HydrophobicContact CG-SD 3.85Å
141	V	98.7	Very high	96.9	Very high	61 Å²	61	53.1 Å²	53.1	37%	0.37	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.9	169.5	-175.5	0	0	0	0	108.5	I90 D92 I125	I90-V141 HydrophobicContact CB-CG2 4.07Å; I90-V141 HydrophobicContact CD1-CG2 4.07Å; I90-V141 CarbonylContact O-C 3.58Å; I90-V141 VanDerWaalsContact O-CA 3.22Å; I90-V141 WeakPolarHBondContact O-CA 3.36Å; D92-V141 HydrophobicContact CB-CG1 3.94Å; I125-V141 HydrophobicContact CG2-CG1 4.09Å; I125-V141 HydrophobicContact CG2-CG2 4.36Å
142	G	98.6	Very high	96.7	Very high	10 Å²	10	54.3 Å²	54.3	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-171.5	176.3	0	0	0	0	0	115.1	I90 S91 D92 I144 M168	I90-G142 PolarHBondContact O-N 3.19Å; S91-G142 WeakPolarHBondContact CA-O 3.39Å; D92-G142 PolarHBondContact N-O 3.45Å; D92-G142 VanDerWaalsContact OD1-CA 3.24Å; D92-G142 WeakPolarHBondContact OD1-CA 3.09Å; D92-G142 VanDerWaalsContact OD1-O 3.12Å; G142-I144 PolarHBondContact O-N 3.1Å; G142-M168 WeakPolarHBondContact O-CE 3.27Å
143	L	98.8	Very high	96.6	Very high	24 Å²	24	55.2 Å²	55.2	13%	0.126	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	121.3	-175.1	174.2	63.6	0	0	0	111.9	D92 D93 K95 V145 F164 A167 M168	D92-L143 PolarHBondContact OD1-N 3.17Å; D93-L143 HydrophobicContact CB-CD1 4.17Å; K95-L143 HydrophobicContact CB-CD1 4.2Å; K95-L143 HydrophobicContact CD-CD1 4.17Å; K95-L143 HydrophobicContact CG-CD1 3.86Å; L143-V145 HydrophobicContact CD1-CG1 4.23Å; L143-V145 HydrophobicContact CD2-CG1 4.22Å; L143-V145 HydrophobicContact CG-CG1 4.04Å; L143-F164 HydrophobicContact CD2-CB 4.34Å; L143-A167 HydrophobicContact CD2-CB 4.18Å; L143-A167 HydrophobicContact CG-CB 4.36Å; L143-M168 WeakPolarHBondContact O-CG 3.11Å; L143-M168 PolarHBondContact O-N 3.31Å
144	I	98.9	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.7	167.9	-55.7	-178.2	0	0	0	108.7	L89 D93 V94 K95 G142 M168 A169 E171 V190	L89-I144 HydrophobicContact CB-CD1 4.13Å; D93-I144 PolarHBondContact O-N 3.33Å; V94-I144 VanDerWaalsContact CA-O 3.22Å; V94-I144 WeakPolarHBondContact CA-O 3.35Å; V94-I144 HydrophobicContact CG1-CB 4.16Å; K95-I144 PolarHBondContact N-O 2.82Å; G142-I144 PolarHBondContact O-N 3.1Å; I144-M168 HydrophobicContact CD1-CE 4.03Å; I144-M168 HydrophobicContact CG1-CE 3.7Å; I144-A169 HydrophobicContact CG1-CB 4.38Å; I144-A169 HydrophobicContact CG2-CB 4.44Å; I144-E171 HydrophobicContact CG2-CG 3.81Å; I144-V190 HydrophobicContact CD1-CG1 4Å
145	V	98.9	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.9	178.7	-61.2	0	0	0	0	112.8	L79 K95 H97 L143 I160 F164 A167 A169 V170 E171	L79-V145 HydrophobicContact CD1-CG2 4.04Å; K95-V145 HydrophobicContact CB-CG1 4.31Å; K95-V145 CarbonylContact O-C 3.49Å; K95-V145 WeakPolarHBondContact O-CA 3.29Å; K95-V145 WeakPolarHBondContact O-CB 3.08Å; H97-V145 HydrophobicContact CB-CB 3.96Å; H97-V145 HydrophobicContact CB-CG2 3.93Å; L143-V145 HydrophobicContact CD1-CG1 4.23Å; L143-V145 HydrophobicContact CD2-CG1 4.22Å; L143-V145 HydrophobicContact CG-CG1 4.04Å; V145-I160 HydrophobicContact CG2-CG2 3.82Å; V145-F164 HydrophobicContact CG1-CB 4.44Å; V145-F164 HydrophobicContact CG1-CD1 4.48Å; V145-F164 HydrophobicContact CG1-CD2 4.47Å; V145-F164 HydrophobicContact CG1-CG 4.2Å; V145-A167 HydrophobicContact CG1-CB 3.94Å; V145-A167 HydrophobicContact CG2-CB 4.24Å; V145-A169 PolarHBondContact N-O 3.45Å; V145-V170 HydrophobicContact CG2-CB 4.08Å; V145-V170 HydrophobicContact CG2-CG2 4.12Å; V145-V170 VanDerWaalsContact O-CA 3.26Å; V145-V170 WeakPolarHBondContact O-CA 3.35Å; V145-E171 PolarHBondContact O-N 2.8Å; V145-E171 VanDerWaalsContact O-N 3.09Å
146	S	98.9	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.5	180	-36	0	0	0	0	113.4	K95 Y96 H97 E171 A174 T175	K95-S146 PolarHBondContact O-N 2.98Å; Y96-S146 CarbonylContact C-O 3.4Å; Y96-S146 VanDerWaalsContact CA-O 3.28Å; Y96-S146 WeakPolarHBondContact CA-O 3.45Å; H97-S146 PolarHBondContact CD2-O 2.9Å; H97-S146 VanDerWaalsContact CD2-O 3.28Å; H97-S146 PolarHBondContact N-O 2.72Å; S146-E171 WeakPolarHBondContact CA-O 3.24Å; S146-E171 VanDerWaalsContact CB-OE1 3.22Å; S146-E171 WeakPolarHBondContact CB-OE1 3.32Å; S146-E171 PolarHBondContact OG-OE1 2.95Å; S146-A174 PolarHBondContact OG-N 3.24Å; S146-T175 WeakPolarHBondContact CB-OG1 3.22Å; S146-T175 VanDerWaalsContact OG-CB 3.24Å; S146-T175 WeakPolarHBondContact OG-CB 3.15Å; S146-T175 PolarHBondContact OG-N 2.46Å; S146-T175 PolarHBondContact OG-OG1 2.99Å
147	G	98.7	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.			trans	-163.2	167.1	169.3	0	0	0	0	0	111.9	H97 D98 S149 E171 M172	H97-G147 PolarHBondContact CD2-N 2.73Å; H97-G147 WeakPolarHBondContact NE2-CA 3.46Å; H97-G147 PolarHBondContact NE2-N 3.39Å; D98-G147 VanDerWaalsContact OD2-CA 3.25Å; D98-G147 WeakPolarHBondContact OD2-CA 3.39Å; G147-S149 PolarHBondContact O-N 3.46Å; G147-E171 PolarHBondContact N-O 3.48Å; G147-M172 WeakPolarHBondContact O-CA 3.43Å; G147-M172 WeakPolarHBondContact O-CB 3.34Å; G147-M172 VanDerWaalsContact O-CG 3.25Å; G147-M172 WeakPolarHBondContact O-CG 3.31Å
148	D	98.2	Very high	97.2	Very high	73 Å²	73	47.1 Å²	47.1	39%	0.39	26%	0.26	S	S	.	.	S	Bend	trans	-86.7	51.8	179.6	-71.6	-35.8	0	0	0	111.1	G50 K51 D98	G50-D148 WeakPolarHBondContact CA-OD1 3.46Å; K51-D148 WeakPolarHBondContact CB-OD1 3.49Å; K51-D148 WeakPolarHBondContact CE-OD2 3.41Å; K51-D148 WeakPolarHBondContact CG-OD1 3.25Å; K51-D148 PolarHBondContact N-OD1 3Å; K51-D148 IonicContact NZ-OD2 2.59Å; D98-D148 PolarHBondContact OD2-N 2.85Å
149	S	97.6	Very high	97.3	Very high	58 Å²	58	49.5 Å²	49.5	41%	0.406	26%	0.263	S	S	.	.	S	Bend	trans	-153.2	132.7	177.2	-67.1	0	0	0	0	111.2	G147	G147-S149 PolarHBondContact O-N 3.46Å
150	F	97.1	Very high	97.4	Very high	84 Å²	84	48.1 Å²	48.1	37%	0.368	25%	0.25	S	C	.	.			trans	-68.9	132.6	165.3	-175.4	-103.1	0	0	0	109.9	G152 Q156 A202 E203 F206	F150-G152 PolarHBondContact O-N 3.19Å; F150-Q156 PolarHBondContact O-NE2 3.4Å; F150-A202 HydrophobicContact CE1-CB 3.76Å; F150-A202 HydrophobicContact CZ-CB 3.62Å; F150-E203 HydrophobicContact CE1-CB 4.19Å; F150-F206 HydrophobicContact CE2-CB 4.38Å; F150-F206 HydrophobicContact CE2-CG 4.37Å; F150-F206 HydrophobicContact CZ-CB 4.27Å
151	I	97.2	Very high	97.4	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.051	25%	0.247	C	C	.	.			trans	-98.7	88.8	-176.9	-53	-51.6	0	0	0	108.8	Q156 R157 I160 V170 A198	I151-Q156 HydrophobicContact CD1-CB 4.32Å; I151-Q156 HydrophobicContact CG2-CB 3.86Å; I151-R157 HydrophobicContact CG2-CB 4.44Å; I151-I160 HydrophobicContact CD1-CD1 3.58Å; I151-I160 HydrophobicContact CG1-CD1 3.68Å; I151-I160 HydrophobicContact CG2-CD1 4.26Å; I151-V170 HydrophobicContact CB-CG1 3.99Å; I151-V170 HydrophobicContact CG1-CB 4.37Å; I151-V170 HydrophobicContact CG1-CG1 3.81Å; I151-V170 HydrophobicContact CG1-CG2 3.68Å; I151-V170 HydrophobicContact CG2-CG1 4.44Å; I151-A198 HydrophobicContact CB-CB 4.28Å; I151-A198 HydrophobicContact CG2-CB 4Å; I151-A198 CarbonylContact O-C 3.43Å; I151-A198 VanDerWaalsContact O-CA 3.29Å; I151-A198 WeakPolarHBondContact O-CA 3.38Å
152	G	93.8	Very high	97.3	Very high	25 Å²	25	53.6 Å²	53.6	26%	0.258	27%	0.268	S	S	.	.			trans	-114.2	12.1	-175.4	0	0	0	0	0	114.8	F150 N199 G200	F150-G152 PolarHBondContact O-N 3.19Å; G152-N199 CarbonylContact C-O 3.1Å; G152-N199 WeakPolarHBondContact CA-O 3.15Å; G152-N199 CarbonylContact O-C 3.5Å; G152-G200 WeakPolarHBondContact O-CA 3.33Å
153	S	94.1	Very high	97.3	Very high	29 Å²	29	55.2 Å²	55.2	20%	0.203	28%	0.281	C	S	.	.	S	Bend	trans	-133	151.1	-179.7	110.7	0	0	0	0	112.1	E155 Q156 R157	S153-E155 WeakPolarHBondContact CB-OE2 3.38Å; S153-E155 PolarHBondContact O-N 3.32Å; S153-E155 PolarHBondContact OG-N 3.32Å; S153-E155 PolarHBondContact OG-OE2 3.49Å; S153-Q156 VanDerWaalsContact N-OE1 3.08Å; S153-Q156 PolarHBondContact O-N 3.37Å; S153-Q156 PolarHBondContact OG-N 3.05Å; S153-Q156 VanDerWaalsContact OG-N 3.08Å; S153-R157 WeakPolarHBondContact O-CB 3.43Å; S153-R157 PolarHBondContact O-N 3.44Å
154	V	93.7	Very high	97.3	Very high	64 Å²	64	54.7 Å²	54.7	39%	0.388	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-37	176	176.3	0	0	0	0	110.6	R157 Q158	V154-R157 WeakPolarHBondContact O-CB 3.5Å; V154-R157 PolarHBondContact O-N 3.2Å; V154-Q158 HydrophobicContact CG1-CG 4.22Å; V154-Q158 VanDerWaalsContact O-CB 3.32Å; V154-Q158 WeakPolarHBondContact O-CB 3.41Å; V154-Q158 WeakPolarHBondContact O-CG 3.49Å; V154-Q158 PolarHBondContact O-N 3.21Å
155	E	96.1	Very high	97.3	Very high	132 Å²	132	58.6 Å²	58.6	62%	0.617	30%	0.303	S	S	*	.	H	α-helix	trans	-65.4	-44	177.4	-57.2	75.2	-163.4	0	0	111.7	S153 Q158 K159	S153-E155 WeakPolarHBondContact CB-OE2 3.38Å; S153-E155 PolarHBondContact O-N 3.32Å; S153-E155 PolarHBondContact OG-N 3.32Å; S153-E155 PolarHBondContact OG-OE2 3.49Å; E155-Q158 PolarHBondContact O-N 2.7Å; E155-K159 WeakPolarHBondContact O-CB 3.23Å; E155-K159 PolarHBondContact O-N 3.22Å
156	Q	97.3	Very high	97.2	Very high	69 Å²	69	65.3 Å²	65.3	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-47.2	175.7	-67.5	175.6	-62.2	0	0	110.6	F150 I151 S153 Q158 K159 I160	F150-Q156 PolarHBondContact O-NE2 3.4Å; I151-Q156 HydrophobicContact CD1-CB 4.32Å; I151-Q156 HydrophobicContact CG2-CB 3.86Å; S153-Q156 VanDerWaalsContact N-OE1 3.08Å; S153-Q156 PolarHBondContact O-N 3.37Å; S153-Q156 PolarHBondContact OG-N 3.05Å; S153-Q156 VanDerWaalsContact OG-N 3.08Å; Q156-Q158 PolarHBondContact O-N 2.91Å; Q156-K159 PolarHBondContact O-N 2.93Å; Q156-I160 WeakPolarHBondContact O-CG1 3.24Å; Q156-I160 PolarHBondContact O-N 2.74Å; Q156-I160 VanDerWaalsContact O-N 3.11Å
157	R	96.8	Very high	97.2	Very high	35 Å²	35	65.3 Å²	65.3	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-55.3	-51	175.1	-175.4	-168	177.6	79.5	-1.6	111.8	A78 L79 I151 S153 V154 K159 I160 K161 L197 A198	A78-R157 PolarHBondContact O-NH1 2.94Å; L79-R157 VanDerWaalsContact C-NH2 3.32Å; L79-R157 HydrophobicContact CD2-CG 3.82Å; L79-R157 PolarHBondContact O-NH2 3.06Å; I151-R157 HydrophobicContact CG2-CB 4.44Å; S153-R157 WeakPolarHBondContact O-CB 3.43Å; S153-R157 PolarHBondContact O-N 3.44Å; V154-R157 WeakPolarHBondContact O-CB 3.5Å; V154-R157 PolarHBondContact O-N 3.2Å; R157-K159 VanDerWaalsContact C-N 3.35Å; R157-K159 PolarHBondContact O-N 2.88Å; R157-I160 PolarHBondContact O-N 2.96Å; R157-K161 HydrophobicContact CG-CG 4.46Å; R157-K161 WeakPolarHBondContact O-CG 3.24Å; R157-K161 PolarHBondContact O-N 3.07Å; R157-L197 PolarHBondContact NH1-O 3.22Å; R157-A198 WeakPolarHBondContact CB-O 3.11Å; R157-A198 WeakPolarHBondContact CD-O 3.39Å
158	Q	96.7	Very high	97.2	Very high	120 Å²	120	65.4 Å²	65.4	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-63.7	-39.4	-178.8	-76.6	175.4	-4.9	0	0	112	V154 E155 Q156 I160 K161 K162	V154-Q158 HydrophobicContact CG1-CG 4.22Å; V154-Q158 VanDerWaalsContact O-CB 3.32Å; V154-Q158 WeakPolarHBondContact O-CB 3.41Å; V154-Q158 WeakPolarHBondContact O-CG 3.49Å; V154-Q158 PolarHBondContact O-N 3.21Å; E155-Q158 PolarHBondContact O-N 2.7Å; Q156-Q158 PolarHBondContact O-N 2.91Å; Q158-I160 VanDerWaalsContact C-N 3.32Å; Q158-I160 PolarHBondContact O-N 3.3Å; Q158-K161 PolarHBondContact O-N 3.44Å; Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.39Å; Q158-K162 PolarHBondContact O-N 2.88Å
159	K	97.9	Very high	97.2	Very high	143 Å²	143	62 Å²	62	62%	0.622	32%	0.321	S	S	*	.	H	α-helix	trans	-57.7	-46.5	174.2	-177.3	-178	176.4	-175.2	0	111	E155 Q156 R157 K162 A163	E155-K159 WeakPolarHBondContact O-CB 3.23Å; E155-K159 PolarHBondContact O-N 3.22Å; Q156-K159 PolarHBondContact O-N 2.93Å; R157-K159 VanDerWaalsContact C-N 3.35Å; R157-K159 PolarHBondContact O-N 2.88Å; K159-K162 PolarHBondContact O-N 3.04Å; K159-A163 PolarHBondContact O-N 2.9Å
160	I	98.5	Very high	97.3	Very high	8 Å²	8	59.5 Å²	59.5	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-49.3	177.8	-64.5	172.7	0	0	0	110.7	L79 H97 V145 I151 Q156 R157 Q158 K162 A163 F164 V170	L79-I160 HydrophobicContact CD1-CG2 3.62Å; H97-I160 HydrophobicContact CB-CD1 4.48Å; H97-I160 HydrophobicContact CB-CG1 4.22Å; H97-I160 HydrophobicContact CB-CG2 4.22Å; V145-I160 HydrophobicContact CG2-CG2 3.82Å; I151-I160 HydrophobicContact CD1-CD1 3.58Å; I151-I160 HydrophobicContact CG1-CD1 3.68Å; I151-I160 HydrophobicContact CG2-CD1 4.26Å; Q156-I160 WeakPolarHBondContact O-CG1 3.24Å; Q156-I160 PolarHBondContact O-N 2.74Å; Q156-I160 VanDerWaalsContact O-N 3.11Å; R157-I160 PolarHBondContact O-N 2.96Å; Q158-I160 VanDerWaalsContact C-N 3.32Å; Q158-I160 PolarHBondContact O-N 3.3Å; I160-K162 PolarHBondContact O-N 3.34Å; I160-A163 PolarHBondContact O-N 2.92Å; I160-A163 VanDerWaalsContact O-N 3.09Å; I160-F164 HydrophobicContact CG2-CD2 4.26Å; I160-F164 PolarHBondContact O-N 2.8Å; I160-V170 HydrophobicContact CD1-CG2 4.09Å
161	K	98.1	Very high	97.3	Very high	55 Å²	55	56.1 Å²	56.1	24%	0.239	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-30.8	179	-70.5	-62.1	-53.7	-168.8	0	113.1	L79 R157 Q158 F164 P165 A167	L79-K161 HydrophobicContact CB-CD 3.92Å; L79-K161 PolarHBondContact O-NZ 2.91Å; R157-K161 HydrophobicContact CG-CG 4.46Å; R157-K161 WeakPolarHBondContact O-CG 3.24Å; R157-K161 PolarHBondContact O-N 3.07Å; Q158-K161 PolarHBondContact O-N 3.44Å; K161-F164 CarbonylContact O-C 3.51Å; K161-P165 VanDerWaalsContact CE-O 3.27Å; K161-P165 WeakPolarHBondContact CE-O 3.28Å; K161-P165 PolarHBondContact NZ-O 3.36Å; K161-P165 WeakPolarHBondContact O-CA 3.24Å; K161-P165 VanDerWaalsContact O-N 3.15Å; K161-A167 PolarHBondContact NZ-O 3.45Å
162	K	98.4	Very high	97.4	Very high	186 Å²	186	57.5 Å²	57.5	81%	0.809	30%	0.296	S	S	*	.	H	α-helix	trans	-67.1	-41.2	174.7	-177.6	178.1	177.5	-178.7	0	111.8	Q158 K159 I160	Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.39Å; Q158-K162 PolarHBondContact O-N 2.88Å; K159-K162 PolarHBondContact O-N 3.04Å; I160-K162 PolarHBondContact O-N 3.34Å
163	A	98.3	Very high	97.7	Very high	44 Å²	44	56.7 Å²	56.7	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-79.2	-35	178.9	0	0	0	0	0	112.7	Y108 K159 I160	Y108-A163 HydrophobicContact CD1-CB 3.73Å; Y108-A163 HydrophobicContact CE1-CB 3.74Å; K159-A163 PolarHBondContact O-N 2.9Å; I160-A163 PolarHBondContact O-N 2.92Å; I160-A163 VanDerWaalsContact O-N 3.09Å
164	F	98.5	Very high	97.9	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.057	28%	0.276	C	S	.	.			trans	-130.3	76.3	-177.9	-50.8	-83.3	0	0	0	110.4	K95 Y96 H97 Y108 L143 V145 I160 K161 N166 A167	K95-F164 HydrophobicContact CB-CE1 4.43Å; K95-F164 HydrophobicContact CD-CD1 4.26Å; K95-F164 HydrophobicContact CD-CE1 4.05Å; Y96-F164 WeakPolarHBondContact O-CZ 3.49Å; H97-F164 VanDerWaalsContact CA-CE2 3.49Å; H97-F164 HydrophobicContact CB-CD2 4.12Å; H97-F164 HydrophobicContact CB-CE2 3.72Å; Y108-F164 AromaticContact CD1-CE2 3.79Å; Y108-F164 HydrophobicContact CD1-CE2 3.79Å; Y108-F164 AromaticContact CD1-CZ 3.65Å; Y108-F164 HydrophobicContact CD1-CZ 3.65Å; Y108-F164 AromaticContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CZ 4.05Å; L143-F164 HydrophobicContact CD2-CB 4.34Å; V145-F164 HydrophobicContact CG1-CB 4.44Å; V145-F164 HydrophobicContact CG1-CD1 4.48Å; V145-F164 HydrophobicContact CG1-CD2 4.47Å; V145-F164 HydrophobicContact CG1-CG 4.2Å; I160-F164 HydrophobicContact CG2-CD2 4.26Å; I160-F164 PolarHBondContact O-N 2.8Å; K161-F164 CarbonylContact O-C 3.51Å; F164-N166 PolarHBondContact O-N 3.43Å; F164-N166 VanDerWaalsContact O-N 3.1Å; F164-A167 HydrophobicContact CB-CB 3.76Å; F164-A167 WeakPolarHBondContact O-CB 3.22Å; F164-A167 PolarHBondContact O-N 3.18Å
165	P	98.1	Very high	98.1	Very high	83 Å²	83	52.3 Å²	52.3	54%	0.539	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.9	-176.5	-27.6	36	0	0	0	114.2	K161	K161-P165 VanDerWaalsContact CE-O 3.27Å; K161-P165 WeakPolarHBondContact CE-O 3.28Å; K161-P165 PolarHBondContact NZ-O 3.36Å; K161-P165 WeakPolarHBondContact O-CA 3.24Å; K161-P165 VanDerWaalsContact O-N 3.15Å
166	N	97.8	Very high	98.3	Very high	140 Å²	140	46.1 Å²	46.1	75%	0.749	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	1.6	-178.8	-60.7	-15.8	0	0	0	113.7	F164 M168	F164-N166 PolarHBondContact O-N 3.43Å; F164-N166 VanDerWaalsContact O-N 3.1Å; N166-M168 PolarHBondContact O-N 2.84Å
167	A	98.6	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.3	174.8	0	0	0	0	0	109.8	L79 L143 V145 K161 F164	L79-A167 WeakPolarHBondContact CB-O 3.34Å; L79-A167 HydrophobicContact CD1-CB 3.85Å; L143-A167 HydrophobicContact CD2-CB 4.18Å; L143-A167 HydrophobicContact CG-CB 4.36Å; V145-A167 HydrophobicContact CG1-CB 3.94Å; V145-A167 HydrophobicContact CG2-CB 4.24Å; K161-A167 PolarHBondContact NZ-O 3.45Å; F164-A167 HydrophobicContact CB-CB 3.76Å; F164-A167 WeakPolarHBondContact O-CB 3.22Å; F164-A167 PolarHBondContact O-N 3.18Å
168	M	98.3	Very high	98.4	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-25	-179.5	73.4	176.9	-177.6	0	0	113	L79 D80 L83 L89 I90 K140 G142 L143 I144 N166	L79-M168 PolarHBondContact N-O 2.84Å; D80-M168 HydrophobicContact CB-CB 4.11Å; D80-M168 PolarHBondContact N-O 3.34Å; L83-M168 HydrophobicContact CD1-CB 4.27Å; L83-M168 WeakPolarHBondContact CD1-O 3.46Å; L89-M168 HydrophobicContact CB-CE 4.02Å; L89-M168 HydrophobicContact CD2-CE 4.13Å; L89-M168 HydrophobicContact CD2-SD 4.25Å; I90-M168 WeakPolarHBondContact O-CE 3.34Å; K140-M168 HydrophobicContact CB-SD 4.08Å; K140-M168 HydrophobicContact CD-SD 4.12Å; K140-M168 HydrophobicContact CG-SD 3.85Å; G142-M168 WeakPolarHBondContact O-CE 3.27Å; L143-M168 WeakPolarHBondContact O-CG 3.11Å; L143-M168 PolarHBondContact O-N 3.31Å; I144-M168 HydrophobicContact CD1-CE 4.03Å; I144-M168 HydrophobicContact CG1-CE 3.7Å; N166-M168 PolarHBondContact O-N 2.84Å
169	A	98.7	Very high	98.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.4	179.5	0	0	0	0	0	112.6	A76 G77 L89 I144 V145	A76-A169 HydrophobicContact CB-CB 4.1Å; G77-A169 CarbonylContact O-C 3.59Å; G77-A169 WeakPolarHBondContact O-CA 3.36Å; G77-A169 WeakPolarHBondContact O-CB 3.36Å; L89-A169 HydrophobicContact CD1-CB 3.53Å; I144-A169 HydrophobicContact CG1-CB 4.38Å; I144-A169 HydrophobicContact CG2-CB 4.44Å; V145-A169 PolarHBondContact N-O 3.45Å
170	V	98.8	Very high	98.6	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142	176	61.2	0	0	0	0	111.7	G77 L79 V145 I151 I160 A198	G77-V170 PolarHBondContact N-O 3.01Å; G77-V170 PolarHBondContact O-N 3.36Å; L79-V170 HydrophobicContact CD1-CB 3.94Å; L79-V170 HydrophobicContact CD1-CG1 4.28Å; L79-V170 HydrophobicContact CD2-CG1 4.08Å; L79-V170 HydrophobicContact CG-CB 4.19Å; L79-V170 HydrophobicContact CG-CG1 4.01Å; V145-V170 HydrophobicContact CG2-CB 4.08Å; V145-V170 HydrophobicContact CG2-CG2 4.12Å; V145-V170 VanDerWaalsContact O-CA 3.26Å; V145-V170 WeakPolarHBondContact O-CA 3.35Å; I151-V170 HydrophobicContact CB-CG1 3.99Å; I151-V170 HydrophobicContact CG1-CB 4.37Å; I151-V170 HydrophobicContact CG1-CG1 3.81Å; I151-V170 HydrophobicContact CG1-CG2 3.68Å; I151-V170 HydrophobicContact CG2-CG1 4.44Å; I160-V170 HydrophobicContact CD1-CG2 4.09Å; V170-A198 HydrophobicContact CG1-CB 3.97Å
171	E	98.5	Very high	98.6	Very high	12 Å²	12	31 Å²	31	6%	0.056	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	-167.2	176	48.3	69.1	-121.7	0	0	109.9	A76 I144 V145 S146 G147 E173 A174 R192	A76-E171 HydrophobicContact CB-CB 4.08Å; A76-E171 HydrophobicContact CB-CG 4.23Å; I144-E171 HydrophobicContact CG2-CG 3.81Å; V145-E171 PolarHBondContact O-N 2.8Å; V145-E171 VanDerWaalsContact O-N 3.09Å; S146-E171 WeakPolarHBondContact CA-O 3.24Å; S146-E171 VanDerWaalsContact CB-OE1 3.22Å; S146-E171 WeakPolarHBondContact CB-OE1 3.32Å; S146-E171 PolarHBondContact OG-OE1 2.95Å; G147-E171 PolarHBondContact N-O 3.48Å; E171-E173 WeakPolarHBondContact OE2-CA 3.15Å; E171-E173 PolarHBondContact OE2-N 2.92Å; E171-A174 VanDerWaalsContact CD-CB 3.44Å; E171-A174 HydrophobicContact CG-CB 4.45Å; E171-A174 VanDerWaalsContact OE1-CB 3.25Å; E171-A174 WeakPolarHBondContact OE1-CB 3.21Å; E171-A174 PolarHBondContact OE1-N 2.68Å; E171-A174 WeakPolarHBondContact OE2-CB 3.26Å; E171-A174 PolarHBondContact OE2-N 3.07Å; E171-R192 IonicContact OE2-CZ 2.74Å; E171-R192 IonicContact OE2-NH1 3.76Å; E171-R192 PolarHBondContact OE2-NH1 2.75Å
172	M	98.7	Very high	98.7	Very high	40 Å²	40	34 Å²	34	20%	0.197	17%	0.173	C	C	.	.	S	Bend	trans	-123.1	4.9	-168.2	-57.7	177.6	56.6	0	0	115	I49 G50 K51 G147	I49-M172 HydrophobicContact CG2-CB 4.33Å; I49-M172 HydrophobicContact CG2-CE 3.78Å; I49-M172 HydrophobicContact CG2-SD 3.89Å; G50-M172 CarbonylContact C-O 3.48Å; G50-M172 VanDerWaalsContact CA-O 3.23Å; G50-M172 WeakPolarHBondContact CA-O 3.49Å; K51-M172 PolarHBondContact N-O 2.9Å; G147-M172 WeakPolarHBondContact O-CA 3.43Å; G147-M172 WeakPolarHBondContact O-CB 3.34Å; G147-M172 VanDerWaalsContact O-CG 3.25Å; G147-M172 WeakPolarHBondContact O-CG 3.31Å
173	E	98.8	Very high	98.7	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-130.7	-40.3	-171.7	-61	77.9	-139.6	0	0	115.7	A7 I49 G50 A54 E171 T175 A176 I177 R192	A7-E173 HydrophobicContact CB-CG 3.8Å; I49-E173 WeakPolarHBondContact CA-OE1 3.37Å; G50-E173 PolarHBondContact N-OE1 3.38Å; A54-E173 HydrophobicContact CB-CB 3.78Å; A54-E173 HydrophobicContact CB-CG 4Å; E171-E173 WeakPolarHBondContact OE2-CA 3.15Å; E171-E173 PolarHBondContact OE2-N 2.92Å; E173-T175 VanDerWaalsContact C-N 3.34Å; E173-T175 PolarHBondContact O-N 2.88Å; E173-A176 WeakPolarHBondContact O-CA 3.46Å; E173-A176 WeakPolarHBondContact O-CB 3.43Å; E173-A176 PolarHBondContact O-N 2.73Å; E173-I177 HydrophobicContact CB-CD1 4.16Å; E173-I177 PolarHBondContact O-N 3.28Å; E173-I177 VanDerWaalsContact O-N 3.1Å; E173-R192 IonicContact OE2-CZ 2.59Å; E173-R192 IonicContact OE2-NH1 2.73Å; E173-R192 PolarHBondContact OE2-NH1 2.74Å; E173-R192 IonicContact OE2-NH2 3.94Å; E173-R192 PolarHBondContact OE2-NH2 2.9Å
174	A	98.9	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-40.6	-157.8	0	0	0	0	0	113.1	N72 V94 S146 E171 A176 I177 A178 V190	N72-A174 WeakPolarHBondContact OD1-CB 3.47Å; V94-A174 HydrophobicContact CG1-CB 4.44Å; S146-A174 PolarHBondContact OG-N 3.24Å; E171-A174 VanDerWaalsContact CD-CB 3.44Å; E171-A174 HydrophobicContact CG-CB 4.45Å; E171-A174 VanDerWaalsContact OE1-CB 3.25Å; E171-A174 WeakPolarHBondContact OE1-CB 3.21Å; E171-A174 PolarHBondContact OE1-N 2.68Å; E171-A174 WeakPolarHBondContact OE2-CB 3.26Å; E171-A174 PolarHBondContact OE2-N 3.07Å; A174-A176 VanDerWaalsContact C-N 3.33Å; A174-A176 PolarHBondContact O-N 2.91Å; A174-I177 PolarHBondContact O-N 3.46Å; A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.48Å; A174-A178 PolarHBondContact O-N 2.79Å; A174-V190 HydrophobicContact CB-CG1 3.9Å; A174-V190 HydrophobicContact CB-CG2 3.88Å
175	T	98.9	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.9	-33.2	178.3	-51.6	0	0	0	0	111.7	V94 K95 Y96 F118 S146 E173 A178 Q179	V94-T175 HydrophobicContact CG2-CG2 4.26Å; K95-T175 VanDerWaalsContact C-OG1 3.29Å; K95-T175 PolarHBondContact N-OG1 3.32Å; K95-T175 PolarHBondContact O-OG1 3.09Å; K95-T175 VanDerWaalsContact O-OG1 3.07Å; Y96-T175 HydrophobicContact CD1-CG2 3.73Å; Y96-T175 HydrophobicContact CD2-CG2 3.61Å; Y96-T175 HydrophobicContact CE1-CG2 3.56Å; Y96-T175 HydrophobicContact CE2-CG2 3.47Å; Y96-T175 VanDerWaalsContact CE2-CG2 3.47Å; Y96-T175 HydrophobicContact CG-CG2 3.76Å; Y96-T175 VanDerWaalsContact CZ-CG2 3.46Å; Y96-T175 PolarHBondContact OH-O 2.85Å; F118-T175 HydrophobicContact CD2-CG2 3.73Å; F118-T175 HydrophobicContact CE2-CG2 3.92Å; S146-T175 WeakPolarHBondContact CB-OG1 3.22Å; S146-T175 VanDerWaalsContact OG-CB 3.24Å; S146-T175 WeakPolarHBondContact OG-CB 3.15Å; S146-T175 PolarHBondContact OG-N 2.46Å; S146-T175 PolarHBondContact OG-OG1 2.99Å; E173-T175 VanDerWaalsContact C-N 3.34Å; E173-T175 PolarHBondContact O-N 2.88Å; T175-A178 PolarHBondContact O-N 3.37Å; T175-Q179 VanDerWaalsContact O-CB 3.31Å; T175-Q179 WeakPolarHBondContact O-CB 3.21Å; T175-Q179 PolarHBondContact O-N 2.88Å
176	A	98.9	Very high	98.7	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-71.4	-36.3	174.8	0	0	0	0	0	112.6	K51 A54 A55 Y96 E173 A174 T180	K51-A176 HydrophobicContact CB-CB 3.89Å; K51-A176 HydrophobicContact CG-CB 4.2Å; K51-A176 VanDerWaalsContact O-CB 3.27Å; K51-A176 WeakPolarHBondContact O-CB 3Å; A54-A176 HydrophobicContact CB-CB 4.21Å; A55-A176 HydrophobicContact CB-CB 4.44Å; Y96-A176 VanDerWaalsContact OH-CA 3.24Å; Y96-A176 WeakPolarHBondContact OH-CA 3.47Å; Y96-A176 PolarHBondContact OH-N 3.44Å; E173-A176 WeakPolarHBondContact O-CA 3.46Å; E173-A176 WeakPolarHBondContact O-CB 3.43Å; E173-A176 PolarHBondContact O-N 2.73Å; A174-A176 VanDerWaalsContact C-N 3.33Å; A174-A176 PolarHBondContact O-N 2.91Å; A176-T180 WeakPolarHBondContact O-CB 3.25Å; A176-T180 PolarHBondContact O-N 2.81Å; A176-T180 PolarHBondContact O-OG1 3.22Å
177	I	99	Very high	98.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-51.6	170.3	-61.4	171	0	0	0	109.3	I5 A54 T58 I70 N72 E173 A174 Q179 T180 C181	I5-I177 HydrophobicContact CB-CD1 4.13Å; I5-I177 HydrophobicContact CD1-CG2 4Å; I5-I177 HydrophobicContact CG2-CD1 3.67Å; I5-I177 HydrophobicContact CG2-CG1 4.43Å; A54-I177 HydrophobicContact CB-CG1 3.99Å; T58-I177 HydrophobicContact CG2-CG2 4.16Å; I70-I177 HydrophobicContact CG2-CG2 3.91Å; N72-I177 HydrophobicContact CB-CD1 3.89Å; N72-I177 VanDerWaalsContact CG-CD1 3.47Å; N72-I177 VanDerWaalsContact ND2-CD1 3.34Å; N72-I177 WeakPolarHBondContact ND2-CD1 3.41Å; E173-I177 HydrophobicContact CB-CD1 4.16Å; E173-I177 PolarHBondContact O-N 3.28Å; E173-I177 VanDerWaalsContact O-N 3.1Å; A174-I177 PolarHBondContact O-N 3.46Å; I177-Q179 PolarHBondContact O-N 3.02Å; I177-T180 WeakPolarHBondContact O-CB 3.48Å; I177-T180 PolarHBondContact O-N 3.43Å; I177-T180 VanDerWaalsContact O-N 3.12Å; I177-C181 WeakPolarHBondContact O-CB 3.49Å; I177-C181 PolarHBondContact O-N 3.33Å; I177-C181 PolarHBondContact O-SG 2.74Å
178	A	99	Very high	98.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-43.3	-179.9	0	0	0	0	0	113.2	V94 F118 A174 T175 T180 C181 Y182 F188	V94-A178 HydrophobicContact CG2-CB 3.31Å; F118-A178 HydrophobicContact CB-CB 3.68Å; F118-A178 HydrophobicContact CG-CB 4.22Å; A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.48Å; A174-A178 PolarHBondContact O-N 2.79Å; T175-A178 PolarHBondContact O-N 3.37Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 3.33Å; A178-C181 WeakPolarHBondContact O-CB 3.34Å; A178-C181 PolarHBondContact O-N 3Å; A178-Y182 WeakPolarHBondContact O-CB 3.46Å; A178-Y182 PolarHBondContact O-N 3.31Å; A178-F188 HydrophobicContact CB-CD1 4.4Å; A178-F188 HydrophobicContact CB-CD2 4.13Å; A178-F188 HydrophobicContact CB-CE1 3.77Å; A178-F188 HydrophobicContact CB-CE2 3.48Å; A178-F188 VanDerWaalsContact CB-CE2 3.48Å; A178-F188 HydrophobicContact CB-CZ 3.28Å
179	Q	98.9	Very high	98.8	Very high	46 Å²	46	32 Å²	32	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-41.4	174.6	-179.6	175.7	-47.5	0	0	111.3	Y96 M114 F118 T175 I177 Y182 Q183	Y96-Q179 VanDerWaalsContact CE2-OE1 3.29Å; Y96-Q179 PolarHBondContact OH-OE1 3.34Å; M114-Q179 HydrophobicContact SD-CG 4.36Å; F118-Q179 HydrophobicContact CD1-CB 4.41Å; F118-Q179 HydrophobicContact CE1-CB 3.82Å; F118-Q179 HydrophobicContact CE1-CG 3.9Å; F118-Q179 HydrophobicContact CE2-CB 3.93Å; F118-Q179 HydrophobicContact CE2-CG 4.39Å; F118-Q179 HydrophobicContact CZ-CB 3.54Å; F118-Q179 HydrophobicContact CZ-CG 3.59Å; T175-Q179 VanDerWaalsContact O-CB 3.31Å; T175-Q179 WeakPolarHBondContact O-CB 3.21Å; T175-Q179 PolarHBondContact O-N 2.88Å; I177-Q179 PolarHBondContact O-N 3.02Å; Q179-Y182 WeakPolarHBondContact O-CB 3.46Å; Q179-Y182 PolarHBondContact O-N 2.94Å; Q179-Q183 WeakPolarHBondContact O-CG 3.26Å; Q179-Q183 PolarHBondContact O-N 3.09Å
180	T	98.9	Very high	98.8	Very high	12 Å²	12	32 Å²	32	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-47.3	176.3	-53.5	0	0	0	0	110.3	T58 T59 I62 A176 I177 A178 Y182 Q183 F184	T58-T180 HydrophobicContact CG2-CG2 3.61Å; T59-T180 WeakPolarHBondContact OG1-CG2 3.41Å; I62-T180 HydrophobicContact CD1-CG2 4.26Å; A176-T180 WeakPolarHBondContact O-CB 3.25Å; A176-T180 PolarHBondContact O-N 2.81Å; A176-T180 PolarHBondContact O-OG1 3.22Å; I177-T180 WeakPolarHBondContact O-CB 3.48Å; I177-T180 PolarHBondContact O-N 3.43Å; I177-T180 VanDerWaalsContact O-N 3.12Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 3.33Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 PolarHBondContact O-N 3.36Å; T180-Q183 PolarHBondContact O-N 3.26Å; T180-Q183 VanDerWaalsContact O-N 3.15Å; T180-F184 HydrophobicContact CG2-CD2 3.97Å; T180-F184 HydrophobicContact CG2-CE2 4.11Å; T180-F184 WeakPolarHBondContact O-CD2 3.45Å; T180-F184 PolarHBondContact O-N 2.8Å; T180-F184 VanDerWaalsContact O-N 3.08Å
181	C	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56	-42.4	174.5	-71.2	0	0	0	0	112.6	I70 I177 A178 F184 N185 V186 F188	I70-C181 VanDerWaalsContact CD1-SG 3.53Å; I177-C181 WeakPolarHBondContact O-CB 3.49Å; I177-C181 PolarHBondContact O-N 3.33Å; I177-C181 PolarHBondContact O-SG 2.74Å; A178-C181 WeakPolarHBondContact O-CB 3.34Å; A178-C181 PolarHBondContact O-N 3Å; C181-F184 CarbonylContact O-C 3.57Å; C181-F184 PolarHBondContact O-N 2.99Å; C181-N185 WeakPolarHBondContact O-CA 2.86Å; C181-N185 PolarHBondContact O-N 3.21Å; C181-V186 WeakPolarHBondContact CB-O 3.31Å; C181-V186 PolarHBondContact O-N 2.96Å; C181-F188 HydrophobicContact CB-CB 4.14Å; C181-F188 HydrophobicContact CB-CD1 3.71Å; C181-F188 HydrophobicContact CB-CG 4.16Å
182	Y	98.8	Very high	98.8	Very high	117 Å²	117	31.3 Å²	31.3	46%	0.459	15%	0.153	S	C	.	.	H	α-helix	trans	-58.7	-47.8	175.1	175.2	-94	0	0	0	111.8	P115 F118 A178 Q179 T180 F184 N185	P115-Y182 HydrophobicContact CG-CD2 4.16Å; P115-Y182 HydrophobicContact CG-CE1 3.95Å; P115-Y182 HydrophobicContact CG-CE2 3.55Å; P115-Y182 VanDerWaalsContact CG-CZ 3.44Å; F118-Y182 HydrophobicContact CD1-CD2 4.34Å; F118-Y182 AromaticContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CE1-CD1 4.09Å; F118-Y182 AromaticContact CE1-CG 3.99Å; F118-Y182 HydrophobicContact CE1-CG 3.99Å; A178-Y182 WeakPolarHBondContact O-CB 3.46Å; A178-Y182 PolarHBondContact O-N 3.31Å; Q179-Y182 WeakPolarHBondContact O-CB 3.46Å; Q179-Y182 PolarHBondContact O-N 2.94Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 PolarHBondContact O-N 3.36Å; Y182-F184 VanDerWaalsContact C-N 3.27Å; Y182-F184 PolarHBondContact O-N 2.94Å; Y182-N185 PolarHBondContact O-N 2.88Å
183	Q	98.7	Very high	98.8	Very high	105 Å²	105	29.4 Å²	29.4	49%	0.491	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-31.9	179.5	-68.9	-72.5	16.3	0	0	113.2	M114 Q179 T180	M114-Q183 VanDerWaalsContact CE-NE2 3.32Å; M114-Q183 PolarHBondContact SD-NE2 2.59Å; Q179-Q183 WeakPolarHBondContact O-CG 3.26Å; Q179-Q183 PolarHBondContact O-N 3.09Å; T180-Q183 PolarHBondContact O-N 3.26Å; T180-Q183 VanDerWaalsContact O-N 3.15Å
184	F	98.7	Very high	98.8	Very high	90 Å²	90	29 Å²	29	40%	0.395	14%	0.142	S	C	.	.	H	α-helix	trans	-95.3	0.9	179.5	-77.9	-93.1	0	0	0	113.8	T59 I62 T180 C181 Y182 V186	T59-F184 HydrophobicContact CG2-CE2 4.2Å; T59-F184 HydrophobicContact CG2-CZ 4Å; I62-F184 HydrophobicContact CB-CD1 4.47Å; I62-F184 HydrophobicContact CD1-CB 3.87Å; I62-F184 HydrophobicContact CD1-CD2 4.23Å; I62-F184 HydrophobicContact CD1-CG 4.07Å; I62-F184 HydrophobicContact CG2-CB 3.95Å; I62-F184 HydrophobicContact CG2-CD1 3.54Å; I62-F184 HydrophobicContact CG2-CE1 4.21Å; I62-F184 HydrophobicContact CG2-CG 3.83Å; T180-F184 HydrophobicContact CG2-CD2 3.97Å; T180-F184 HydrophobicContact CG2-CE2 4.11Å; T180-F184 WeakPolarHBondContact O-CD2 3.45Å; T180-F184 PolarHBondContact O-N 2.8Å; T180-F184 VanDerWaalsContact O-N 3.08Å; C181-F184 CarbonylContact O-C 3.57Å; C181-F184 PolarHBondContact O-N 2.99Å; Y182-F184 VanDerWaalsContact C-N 3.27Å; Y182-F184 PolarHBondContact O-N 2.94Å; F184-V186 VanDerWaalsContact C-N 3.29Å; F184-V186 HydrophobicContact CB-CG2 4.07Å; F184-V186 PolarHBondContact O-N 2.95Å
185	N	98.5	Very high	98.6	Very high	148 Å²	148	29 Å²	29	79%	0.791	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	40.2	-174.6	-56.7	-75.8	0	0	0	113.8	C181 Y182	C181-N185 WeakPolarHBondContact O-CA 2.86Å; C181-N185 PolarHBondContact O-N 3.21Å; Y182-N185 PolarHBondContact O-N 2.88Å
186	V	98.8	Very high	98.5	Very high	18 Å²	18	29.3 Å²	29.3	11%	0.109	14%	0.144	C	C	.	.			trans	-101.5	123.1	176.8	-179.8	0	0	0	0	109.3	I62 I70 C181 F184	I62-V186 HydrophobicContact CD1-CB 4.41Å; I62-V186 HydrophobicContact CD1-CG2 4.05Å; I62-V186 HydrophobicContact CG1-CG2 4.27Å; I62-V186 HydrophobicContact CG2-CG2 4.13Å; I70-V186 HydrophobicContact CD1-CG1 4.01Å; I70-V186 HydrophobicContact CG1-CG1 4.05Å; C181-V186 WeakPolarHBondContact CB-O 3.31Å; C181-V186 PolarHBondContact O-N 2.96Å; F184-V186 VanDerWaalsContact C-N 3.29Å; F184-V186 HydrophobicContact CB-CG2 4.07Å; F184-V186 PolarHBondContact O-N 2.95Å
187	P	98.8	Very high	98.1	Very high	57 Å²	57	32.7 Å²	32.7	37%	0.37	16%	0.161	S	C	.	.			trans	-59.9	138.7	174.2	-20.7	30.4	0	0	0	111.6	D68 V69 I70 L124	D68-P187 WeakPolarHBondContact O-CD 2.95Å; V69-P187 CarbonylContact C-O 3.59Å; V69-P187 VanDerWaalsContact CA-O 3.3Å; V69-P187 WeakPolarHBondContact CA-O 3.46Å; V69-P187 HydrophobicContact CG1-CB 4.2Å; I70-P187 PolarHBondContact N-O 3.05Å; L124-P187 HydrophobicContact CD1-CB 4.47Å
188	F	98.9	Very high	97.6	Very high	9 Å²	9	32.6 Å²	32.6	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	162.9	177.6	77	-83.7	0	0	0	113	I70 V94 F118 Q119 S120 S121 A178 C181 V190	I70-F188 HydrophobicContact CB-CB 4.25Å; I70-F188 HydrophobicContact CG2-CB 4.49Å; I70-F188 CarbonylContact O-C 3.5Å; I70-F188 WeakPolarHBondContact O-CA 3.35Å; I70-F188 WeakPolarHBondContact O-CB 3.35Å; V94-F188 HydrophobicContact CG2-CE2 4.44Å; V94-F188 HydrophobicContact CG2-CZ 4.46Å; F118-F188 HydrophobicContact CB-CZ 4.2Å; Q119-F188 WeakPolarHBondContact O-CE1 3.27Å; Q119-F188 WeakPolarHBondContact O-CZ 3.31Å; S120-F188 WeakPolarHBondContact OG-CE2 3.25Å; S121-F188 WeakPolarHBondContact CB-O 3.25Å; S121-F188 PolarHBondContact N-O 2.97Å; A178-F188 HydrophobicContact CB-CD1 4.4Å; A178-F188 HydrophobicContact CB-CD2 4.13Å; A178-F188 HydrophobicContact CB-CE1 3.77Å; A178-F188 HydrophobicContact CB-CE2 3.48Å; A178-F188 VanDerWaalsContact CB-CE2 3.48Å; A178-F188 HydrophobicContact CB-CZ 3.28Å; C181-F188 HydrophobicContact CB-CB 4.14Å; C181-F188 HydrophobicContact CB-CD1 3.71Å; C181-F188 HydrophobicContact CB-CG 4.16Å; F188-V190 HydrophobicContact CD2-CG2 4.21Å; F188-V190 HydrophobicContact CE2-CG2 4.13Å
189	V	98.9	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145	164.4	65.8	0	0	0	0	109.4	I70 I71 N72 I90 L124 I125 V128 V191 L224	I70-V189 PolarHBondContact O-N 2.97Å; I71-V189 WeakPolarHBondContact CA-O 2.94Å; I71-V189 HydrophobicContact CG1-CG1 4.17Å; I71-V189 HydrophobicContact CG2-CG1 4.29Å; N72-V189 PolarHBondContact N-O 2.93Å; I90-V189 HydrophobicContact CG2-CG2 4.07Å; L124-V189 HydrophobicContact CB-CB 3.74Å; L124-V189 HydrophobicContact CB-CG1 3.88Å; L124-V189 HydrophobicContact CB-CG2 4.36Å; L124-V189 HydrophobicContact CD1-CB 4.13Å; L124-V189 HydrophobicContact CD1-CG1 4.05Å; I125-V189 HydrophobicContact CG1-CG2 4.33Å; V128-V189 HydrophobicContact CG2-CG1 4.3Å; V128-V189 HydrophobicContact CG2-CG2 4.29Å; V189-V191 HydrophobicContact CG1-CG2 4.18Å; V189-V191 HydrophobicContact CG2-CG2 4.29Å; V189-L224 HydrophobicContact CG1-CD2 4.2Å
190	V	98.9	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.1	173.6	-177.8	0	0	0	0	108.3	N72 I90 S91 V94 I144 A174 F188 R192	N72-V190 HydrophobicContact CB-CG1 4.38Å; N72-V190 HydrophobicContact CB-CG2 4.23Å; N72-V190 WeakPolarHBondContact OD1-CG1 3.38Å; I90-V190 WeakPolarHBondContact CA-O 3.37Å; S91-V190 PolarHBondContact N-O 3.02Å; S91-V190 VanDerWaalsContact OG-CB 3.25Å; S91-V190 WeakPolarHBondContact OG-CB 3.33Å; S91-V190 WeakPolarHBondContact OG-CG2 3.36Å; V94-V190 HydrophobicContact CG1-CG2 4.02Å; I144-V190 HydrophobicContact CD1-CG1 4Å; A174-V190 HydrophobicContact CB-CG1 3.9Å; A174-V190 HydrophobicContact CB-CG2 3.88Å; F188-V190 HydrophobicContact CD2-CG2 4.21Å; F188-V190 HydrophobicContact CE2-CG2 4.13Å; V190-R192 HydrophobicContact CG1-CG 3.82Å
191	V	98.7	Very high	95.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	99	178.5	-176.9	0	0	0	0	107.9	I71 N72 T73 V88 L89 V128 V189 T220 V221	I71-V191 HydrophobicContact CG2-CG2 4.29Å; N72-V191 CarbonylContact O-C 3.52Å; N72-V191 PolarHBondContact O-N 3.21Å; T73-V191 VanDerWaalsContact CA-O 3.29Å; T73-V191 WeakPolarHBondContact CA-O 3.48Å; V88-V191 HydrophobicContact CG1-CG1 4.11Å; L89-V191 CarbonylContact O-C 3.6Å; L89-V191 VanDerWaalsContact O-CA 3.3Å; L89-V191 WeakPolarHBondContact O-CA 3.36Å; V128-V191 HydrophobicContact CG1-CG1 4.35Å; V128-V191 HydrophobicContact CG1-CG2 3.89Å; V128-V191 HydrophobicContact CG2-CG2 3.8Å; V189-V191 HydrophobicContact CG1-CG2 4.18Å; V189-V191 HydrophobicContact CG2-CG2 4.29Å; V191-T220 HydrophobicContact CG1-CG2 3.69Å; V191-V221 HydrophobicContact CB-CG2 4.06Å; V191-V221 HydrophobicContact CG1-CG2 4.11Å
192	R	98.6	Very high	95.2	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	172.3	178.8	-62.2	-170.2	95.9	133.8	0.2	110.7	E11 N72 G74 S75 A76 V88 L89 E171 E173 V190	E11-R192 IonicContact OE1-NH2 3.7Å; E11-R192 PolarHBondContact OE1-NH2 3.34Å; N72-R192 PolarHBondContact OD1-NH1 3.38Å; G74-R192 CarbonylContact O-C 3.57Å; G74-R192 WeakPolarHBondContact O-CA 3.18Å; G74-R192 VanDerWaalsContact O-CB 3.27Å; G74-R192 WeakPolarHBondContact O-CB 3.4Å; S75-R192 VanDerWaalsContact O-CZ 3.28Å; S75-R192 PolarHBondContact O-NE 2.75Å; S75-R192 PolarHBondContact O-NH2 2.78Å; A76-R192 HydrophobicContact CB-CB 4.26Å; V88-R192 CarbonylContact C-O 3.49Å; L89-R192 HydrophobicContact CB-CB 4.49Å; L89-R192 PolarHBondContact N-O 2.91Å; L89-R192 PolarHBondContact O-N 3.02Å; E171-R192 IonicContact OE2-CZ 2.74Å; E171-R192 IonicContact OE2-NH1 3.76Å; E171-R192 PolarHBondContact OE2-NH1 2.75Å; E173-R192 IonicContact OE2-CZ 2.59Å; E173-R192 IonicContact OE2-NH1 2.73Å; E173-R192 PolarHBondContact OE2-NH1 2.74Å; E173-R192 IonicContact OE2-NH2 3.94Å; E173-R192 PolarHBondContact OE2-NH2 2.9Å; V190-R192 HydrophobicContact CG1-CG 3.82Å
193	A	98.3	Very high	94.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.1	169.9	0	0	0	0	0	111	G74 S75 A76 D87 S195 A213	G74-A193 PolarHBondContact O-N 3.48Å; S75-A193 CarbonylContact C-O 3.6Å; S75-A193 WeakPolarHBondContact CA-O 3.47Å; A76-A193 PolarHBondContact N-O 3.05Å; D87-A193 CarbonylContact O-C 3.55Å; D87-A193 VanDerWaalsContact O-CA 3.25Å; D87-A193 WeakPolarHBondContact O-CA 3.26Å; A193-S195 PolarHBondContact O-N 3.28Å; A193-A213 HydrophobicContact CB-CB 4.04Å; A193-A213 WeakPolarHBondContact CB-O 3.36Å
194	V	98.1	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	122.6	-177.4	178.7	0	0	0	0	110.9	A76 A78 L83 N84 V85 G86 D87 L89 D196	A76-V194 WeakPolarHBondContact O-CA 3.38Å; A78-V194 HydrophobicContact CB-CG1 3.7Å; A78-V194 HydrophobicContact CB-CG2 4.13Å; L83-V194 HydrophobicContact CB-CG2 4.2Å; L83-V194 HydrophobicContact CD1-CG2 4.4Å; N84-V194 WeakPolarHBondContact O-CB 3.45Å; V85-V194 WeakPolarHBondContact CA-O 3.33Å; V85-V194 HydrophobicContact CG2-CG1 4.44Å; G86-V194 PolarHBondContact N-O 3.04Å; D87-V194 HydrophobicContact CB-CG2 4.27Å; D87-V194 PolarHBondContact O-N 2.98Å; L89-V194 HydrophobicContact CD1-CG2 3.92Å; L89-V194 HydrophobicContact CD2-CG2 4.08Å; L89-V194 HydrophobicContact CG-CG2 4.11Å; V194-D196 WeakPolarHBondContact CG1-O 3.27Å
195	S	96.1	Very high	93.6	Very high	1 Å²	1	39 Å²	39	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-37.1	171.4	41.2	0	0	0	0	112.9	S75 A76 A193 F209	S75-S195 WeakPolarHBondContact CB-OG 3.49Å; S75-S195 PolarHBondContact OG-OG 2.97Å; A76-S195 PolarHBondContact O-N 3.43Å; A76-S195 PolarHBondContact O-OG 3.18Å; A193-S195 PolarHBondContact O-N 3.28Å; S195-F209 WeakPolarHBondContact O-CB 3.49Å
196	D	95.2	Very high	93.2	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.032	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	171.4	-170.6	64.6	90.3	0	0	0	110.4	G77 A78 V194 A198 A202 S205 F206	G77-D196 CarbonylContact C-O 3.54Å; G77-D196 WeakPolarHBondContact CA-O 3.48Å; G77-D196 VanDerWaalsContact CA-OD1 3.26Å; G77-D196 WeakPolarHBondContact CA-OD1 3.24Å; G77-D196 WeakPolarHBondContact CA-OD2 3.33Å; A78-D196 PolarHBondContact N-O 3.15Å; V194-D196 WeakPolarHBondContact CG1-O 3.27Å; D196-A198 WeakPolarHBondContact OD1-CA 3.33Å; D196-A198 PolarHBondContact OD1-N 3.46Å; D196-A202 HydrophobicContact CB-CB 4.21Å; D196-S205 VanDerWaalsContact CB-OG 3.27Å; D196-S205 WeakPolarHBondContact CB-OG 3.31Å; D196-F206 HydrophobicContact CB-CB 4.29Å
197	L	91.1	Very high	92.8	Very high	72 Å²	72	40.4 Å²	40.4	38%	0.377	22%	0.216	S	C	.	.			trans	-101.5	16.8	-178.3	-57.7	-177.1	0	0	0	112.9	A78 R157 N199	A78-L197 HydrophobicContact CB-CD2 4.19Å; A78-L197 CarbonylContact O-C 3.57Å; R157-L197 PolarHBondContact NH1-O 3.22Å; L197-N199 PolarHBondContact O-N 3Å; L197-N199 VanDerWaalsContact O-N 3.08Å
198	A	89.3	Confident	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	42.9	47.8	-179.8	0	0	0	0	0	112.6	L79 I151 R157 V170 D196	L79-A198 HydrophobicContact CD2-CB 4.08Å; I151-A198 HydrophobicContact CB-CB 4.28Å; I151-A198 HydrophobicContact CG2-CB 4Å; I151-A198 CarbonylContact O-C 3.43Å; I151-A198 VanDerWaalsContact O-CA 3.29Å; I151-A198 WeakPolarHBondContact O-CA 3.38Å; R157-A198 WeakPolarHBondContact CB-O 3.11Å; R157-A198 WeakPolarHBondContact CD-O 3.39Å; V170-A198 HydrophobicContact CG1-CB 3.97Å; D196-A198 WeakPolarHBondContact OD1-CA 3.33Å; D196-A198 PolarHBondContact OD1-N 3.46Å
199	N	86.6	Confident	92.2	Very high	41 Å²	41	44.4 Å²	44.4	22%	0.219	24%	0.241	C	C	.	.	S	Bend	trans	-131.5	-170.8	-176	69.7	3.9	0	0	0	109.8	G152 L197 E201 A202	G152-N199 CarbonylContact C-O 3.1Å; G152-N199 WeakPolarHBondContact CA-O 3.15Å; G152-N199 CarbonylContact O-C 3.5Å; L197-N199 PolarHBondContact O-N 3Å; L197-N199 VanDerWaalsContact O-N 3.08Å; N199-E201 PolarHBondContact O-N 3.1Å; N199-E201 PolarHBondContact OD1-N 2.91Å; N199-A202 VanDerWaalsContact O-CB 3.26Å; N199-A202 WeakPolarHBondContact O-CB 3.31Å; N199-A202 PolarHBondContact O-N 3.46Å; N199-A202 PolarHBondContact OD1-N 3.3Å
200	G	83.2	Confident	92	Very high	58 Å²	58	45 Å²	45	60%	0.598	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-9.1	-179.4	0	0	0	0	0	116.3	G152	G152-G200 WeakPolarHBondContact O-CA 3.33Å
201	E	86.8	Confident	91.8	Very high	127 Å²	127	52.3 Å²	52.3	59%	0.593	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	12.4	178.5	-60.6	179.5	176.5	0	0	111.9	N199 E203 M204 S205	N199-E201 PolarHBondContact O-N 3.1Å; N199-E201 PolarHBondContact OD1-N 2.91Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 2.85Å; E201-M204 HydrophobicContact CB-CE 4.17Å; E201-M204 HydrophobicContact CG-CE 4.11Å; E201-M204 PolarHBondContact O-N 3.34Å; E201-S205 PolarHBondContact O-N 3.23Å; E201-S205 PolarHBondContact O-OG 2.88Å
202	A	88.5	Confident	91.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-39.1	-172.8	0	0	0	0	0	112.8	F150 D196 N199 S205 F206	F150-A202 HydrophobicContact CE1-CB 3.76Å; F150-A202 HydrophobicContact CZ-CB 3.62Å; D196-A202 HydrophobicContact CB-CB 4.21Å; N199-A202 VanDerWaalsContact O-CB 3.26Å; N199-A202 WeakPolarHBondContact O-CB 3.31Å; N199-A202 PolarHBondContact O-N 3.46Å; N199-A202 PolarHBondContact OD1-N 3.3Å; A202-S205 VanDerWaalsContact CA-OG 3.3Å; A202-S205 WeakPolarHBondContact CA-OG 3.42Å; A202-S205 PolarHBondContact O-N 2.8Å; A202-S205 PolarHBondContact O-OG 2.98Å; A202-S205 VanDerWaalsContact O-OG 3.13Å; A202-F206 WeakPolarHBondContact O-CB 3.48Å; A202-F206 PolarHBondContact O-N 2.92Å
203	E	87.2	Confident	91.4	Very high	134 Å²	134	57.6 Å²	57.6	63%	0.626	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-50.2	-179	-174.6	176.3	-173.9	0	0	111.3	F150 E201 S205 F206 E207	F150-E203 HydrophobicContact CE1-CB 4.19Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 2.85Å; E203-S205 PolarHBondContact O-N 3.5Å; E203-F206 PolarHBondContact O-N 3.06Å; E203-E207 PolarHBondContact O-N 3.47Å
204	M	86.6	Confident	91.3	Very high	125 Å²	125	57.7 Å²	57.7	62%	0.616	30%	0.301	S	S	*	.	H	α-helix	trans	-63.8	-41.7	177.9	-67.4	-175.4	-68.5	0	0	112.2	E201 A208	E201-M204 HydrophobicContact CB-CE 4.17Å; E201-M204 HydrophobicContact CG-CE 4.11Å; E201-M204 PolarHBondContact O-N 3.34Å; M204-A208 VanDerWaalsContact O-CB 3.29Å; M204-A208 WeakPolarHBondContact O-CB 3.25Å; M204-A208 PolarHBondContact O-N 3.26Å; M204-A208 VanDerWaalsContact O-N 3.07Å
205	S	88.5	Confident	91.2	Very high	20 Å²	20	60.6 Å²	60.6	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-69.9	-38.6	178.7	49.5	0	0	0	0	112	D196 E201 A202 E203 A208 F209	D196-S205 VanDerWaalsContact CB-OG 3.27Å; D196-S205 WeakPolarHBondContact CB-OG 3.31Å; E201-S205 PolarHBondContact O-N 3.23Å; E201-S205 PolarHBondContact O-OG 2.88Å; A202-S205 VanDerWaalsContact CA-OG 3.3Å; A202-S205 WeakPolarHBondContact CA-OG 3.42Å; A202-S205 PolarHBondContact O-N 2.8Å; A202-S205 PolarHBondContact O-OG 2.98Å; A202-S205 VanDerWaalsContact O-OG 3.13Å; E203-S205 PolarHBondContact O-N 3.5Å; S205-A208 PolarHBondContact O-N 2.9Å; S205-F209 WeakPolarHBondContact O-CB 3.18Å; S205-F209 WeakPolarHBondContact O-CD2 3.44Å; S205-F209 PolarHBondContact O-N 3.38Å
206	F	89.8	Confident	91.2	Very high	46 Å²	46	61.1 Å²	61.1	20%	0.202	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-53.3	173.9	173.2	-98.3	0	0	0	111.2	M8 F150 D196 A202 E203 A208 F209 L210	M8-F206 HydrophobicContact CE-CZ 4.19Å; M8-F206 HydrophobicContact SD-CZ 3.81Å; F150-F206 HydrophobicContact CE2-CB 4.38Å; F150-F206 HydrophobicContact CE2-CG 4.37Å; F150-F206 HydrophobicContact CZ-CB 4.27Å; D196-F206 HydrophobicContact CB-CB 4.29Å; A202-F206 WeakPolarHBondContact O-CB 3.48Å; A202-F206 PolarHBondContact O-N 2.92Å; E203-F206 PolarHBondContact O-N 3.06Å; F206-A208 VanDerWaalsContact C-N 3.29Å; F206-A208 PolarHBondContact O-N 2.79Å; F206-F209 PolarHBondContact O-N 2.82Å; F206-L210 HydrophobicContact CE1-CD2 4.32Å; F206-L210 HydrophobicContact CE2-CD1 3.9Å; F206-L210 HydrophobicContact CZ-CD1 4.03Å; F206-L210 HydrophobicContact CZ-CD2 3.95Å; F206-L210 HydrophobicContact CZ-CG 4.41Å; F206-L210 VanDerWaalsContact O-CB 3.31Å; F206-L210 WeakPolarHBondContact O-CB 3.46Å; F206-L210 PolarHBondContact O-N 3.5Å
207	E	89.9	Confident	91.3	Very high	148 Å²	148	60.8 Å²	60.8	69%	0.692	32%	0.321	S	S	*	.	H	α-helix	trans	-59.1	-40.7	177.6	-71	-173.8	164.5	0	0	112	E203 F209	E203-E207 PolarHBondContact O-N 3.47Å; E207-F209 PolarHBondContact O-N 2.93Å
208	A	92.1	Very high	91.6	Very high	70 Å²	70	57.4 Å²	57.4	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-70.8	-27.3	-179	0	0	0	0	0	114	M204 S205 F206	M204-A208 VanDerWaalsContact O-CB 3.29Å; M204-A208 WeakPolarHBondContact O-CB 3.25Å; M204-A208 PolarHBondContact O-N 3.26Å; M204-A208 VanDerWaalsContact O-N 3.07Å; S205-A208 PolarHBondContact O-N 2.9Å; F206-A208 VanDerWaalsContact C-N 3.29Å; F206-A208 PolarHBondContact O-N 2.79Å
209	F	94.4	Very high	91.9	Very high	81 Å²	81	61.5 Å²	61.5	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-125.4	0.7	-167.7	-59.9	-59.2	0	0	0	115.4	V85 S195 S205 F206 E207 E211 K212 A213	V85-F209 HydrophobicContact CG1-CB 3.49Å; V85-F209 VanDerWaalsContact CG1-CB 3.49Å; V85-F209 HydrophobicContact CG1-CD1 3.83Å; V85-F209 HydrophobicContact CG1-CD2 3.9Å; V85-F209 HydrophobicContact CG1-CG 3.48Å; V85-F209 VanDerWaalsContact CG1-CG 3.48Å; V85-F209 HydrophobicContact CG2-CD2 3.97Å; V85-F209 HydrophobicContact CG2-CE2 4.34Å; V85-F209 HydrophobicContact CG2-CG 4.42Å; S195-F209 WeakPolarHBondContact O-CB 3.49Å; S205-F209 WeakPolarHBondContact O-CB 3.18Å; S205-F209 WeakPolarHBondContact O-CD2 3.44Å; S205-F209 PolarHBondContact O-N 3.38Å; F206-F209 PolarHBondContact O-N 2.82Å; E207-F209 PolarHBondContact O-N 2.93Å; F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 3.22Å; F209-K212 WeakPolarHBondContact O-CB 3.33Å; F209-K212 PolarHBondContact O-N 3.29Å; F209-K212 VanDerWaalsContact O-N 3.09Å; F209-A213 PolarHBondContact O-N 3.11Å
210	L	94.6	Very high	92.4	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-52.2	-48.5	175.6	175.1	60.4	0	0	0	111.6	M8 E10 F206 K212 A213 A214	M8-L210 HydrophobicContact CE-CD2 3.63Å; M8-L210 HydrophobicContact SD-CD2 4.2Å; E10-L210 HydrophobicContact CB-CD2 4.19Å; E10-L210 HydrophobicContact CB-CG 4.34Å; E10-L210 HydrophobicContact CG-CD2 4.05Å; F206-L210 HydrophobicContact CE1-CD2 4.32Å; F206-L210 HydrophobicContact CE2-CD1 3.9Å; F206-L210 HydrophobicContact CZ-CD1 4.03Å; F206-L210 HydrophobicContact CZ-CD2 3.95Å; F206-L210 HydrophobicContact CZ-CG 4.41Å; F206-L210 VanDerWaalsContact O-CB 3.31Å; F206-L210 WeakPolarHBondContact O-CB 3.46Å; F206-L210 PolarHBondContact O-N 3.5Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.35Å; L210-A213 PolarHBondContact O-N 2.63Å; L210-A214 WeakPolarHBondContact O-CB 3.29Å; L210-A214 PolarHBondContact O-N 3.45Å
211	E	93.8	Very high	93.2	Very high	152 Å²	152	56.8 Å²	56.8	71%	0.71	28%	0.283	S	S	*	.	H	α-helix	trans	-60.4	-41.6	179.1	-68	-171.2	172.3	0	0	112	F209 A214 V215	F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 3.22Å; E211-A214 PolarHBondContact O-N 3.47Å; E211-V215 VanDerWaalsContact O-CG2 3.31Å; E211-V215 WeakPolarHBondContact O-CG2 3.26Å; E211-V215 PolarHBondContact O-N 2.78Å
212	K	94	Very high	93.7	Very high	116 Å²	116	52.1 Å²	52.1	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-43.2	178	-175.2	-178	175.5	-158.8	0	111.1	V85 F209 L210 V215 S216	V85-K212 HydrophobicContact CG1-CD 4.19Å; V85-K212 PolarHBondContact O-NZ 3.48Å; F209-K212 WeakPolarHBondContact O-CB 3.33Å; F209-K212 PolarHBondContact O-N 3.29Å; F209-K212 VanDerWaalsContact O-N 3.09Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.35Å; K212-V215 PolarHBondContact O-N 3.09Å; K212-S216 PolarHBondContact O-N 3.26Å; K212-S216 VanDerWaalsContact O-N 3.07Å
213	A	95.4	Very high	94.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-42.1	175.8	0	0	0	0	0	111.7	A193 F209 L210 V215 S216 S217	A193-A213 HydrophobicContact CB-CB 4.04Å; A193-A213 WeakPolarHBondContact CB-O 3.36Å; F209-A213 PolarHBondContact O-N 3.11Å; L210-A213 PolarHBondContact O-N 2.63Å; A213-V215 VanDerWaalsContact C-N 3.34Å; A213-V215 PolarHBondContact O-N 3.22Å; A213-S216 PolarHBondContact O-N 2.85Å; A213-S217 PolarHBondContact O-N 2.87Å; A213-S217 PolarHBondContact O-OG 3.46Å
214	A	96.1	Very high	94.7	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-41.3	176	0	0	0	0	0	111.7	I14 L210 E211 S217 S218	I14-A214 HydrophobicContact CD1-CB 3.96Å; L210-A214 WeakPolarHBondContact O-CB 3.29Å; L210-A214 PolarHBondContact O-N 3.45Å; E211-A214 PolarHBondContact O-N 3.47Å; A214-S217 PolarHBondContact O-OG 2.83Å; A214-S218 WeakPolarHBondContact O-CB 3.3Å; A214-S218 PolarHBondContact O-N 3.06Å; A214-S218 PolarHBondContact O-OG 2.79Å
215	V	96	Very high	95.2	Very high	61 Å²	61	40.7 Å²	40.7	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-49.9	174.3	170.6	0	0	0	0	111.3	I14 E211 K212 A213 S218 Q219	I14-V215 HydrophobicContact CD1-CB 4.37Å; I14-V215 HydrophobicContact CD1-CG2 3.74Å; E211-V215 VanDerWaalsContact O-CG2 3.31Å; E211-V215 WeakPolarHBondContact O-CG2 3.26Å; E211-V215 PolarHBondContact O-N 2.78Å; K212-V215 PolarHBondContact O-N 3.09Å; A213-V215 VanDerWaalsContact C-N 3.34Å; A213-V215 PolarHBondContact O-N 3.22Å; V215-S218 PolarHBondContact O-N 3.38Å; V215-Q219 HydrophobicContact CG1-CG 4.29Å; V215-Q219 WeakPolarHBondContact O-CB 3.27Å; V215-Q219 VanDerWaalsContact O-CG 3.26Å; V215-Q219 WeakPolarHBondContact O-CG 3.29Å; V215-Q219 PolarHBondContact O-N 3.47Å
216	S	95.8	Very high	95.5	Very high	12 Å²	12	42.8 Å²	42.8	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-49.1	-177.4	-174.1	0	0	0	0	112.2	G86 V88 K212 A213 T220	G86-S216 PolarHBondContact O-OG 3.39Å; V88-S216 WeakPolarHBondContact CG2-OG 3.45Å; K212-S216 PolarHBondContact O-N 3.26Å; K212-S216 VanDerWaalsContact O-N 3.07Å; A213-S216 PolarHBondContact O-N 2.85Å; S216-T220 PolarHBondContact O-N 3.06Å; S216-T220 PolarHBondContact O-OG1 3.07Å
217	S	97.4	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-46.2	176.6	56	0	0	0	0	111.8	G74 A213 A214 Q219 T220 V221	G74-S217 PolarHBondContact O-OG 3.3Å; A213-S217 PolarHBondContact O-N 2.87Å; A213-S217 PolarHBondContact O-OG 3.46Å; A214-S217 PolarHBondContact O-OG 2.83Å; S217-Q219 PolarHBondContact O-N 3.45Å; S217-T220 WeakPolarHBondContact O-CB 3.4Å; S217-T220 PolarHBondContact O-N 3.33Å; S217-V221 WeakPolarHBondContact O-CG2 3.48Å; S217-V221 PolarHBondContact O-N 3.28Å
218	S	97	Very high	96	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-39.4	179.2	-66.2	0	0	0	0	113.2	L15 A214 V215 T220 V221 E222	L15-S218 WeakPolarHBondContact CD2-O 3.3Å; A214-S218 WeakPolarHBondContact O-CB 3.3Å; A214-S218 PolarHBondContact O-N 3.06Å; A214-S218 PolarHBondContact O-OG 2.79Å; V215-S218 PolarHBondContact O-N 3.38Å; S218-T220 VanDerWaalsContact C-N 3.33Å; S218-V221 PolarHBondContact O-N 2.99Å; S218-E222 WeakPolarHBondContact O-CB 3.29Å; S218-E222 PolarHBondContact O-N 3.46Å
219	Q	96.4	Very high	96.2	Very high	86 Å²	86	36.6 Å²	36.6	40%	0.402	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-39	176.4	-76.4	176.4	-7.7	0	0	111.9	Q135 V215 S217 A223	Q135-Q219 PolarHBondContact NE2-O 3.02Å; V215-Q219 HydrophobicContact CG1-CG 4.29Å; V215-Q219 WeakPolarHBondContact O-CB 3.27Å; V215-Q219 VanDerWaalsContact O-CG 3.26Å; V215-Q219 WeakPolarHBondContact O-CG 3.29Å; V215-Q219 PolarHBondContact O-N 3.47Å; S217-Q219 PolarHBondContact O-N 3.45Å; Q219-A223 WeakPolarHBondContact O-CB 3.1Å; Q219-A223 PolarHBondContact O-N 3.08Å; Q219-A223 VanDerWaalsContact O-N 3.16Å
220	T	97.8	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-45.9	175.1	-56.4	0	0	0	0	110.6	V88 V128 V131 V132 V191 S216 S217 S218 A223 L224	V88-T220 HydrophobicContact CG1-CG2 4.22Å; V128-T220 HydrophobicContact CG1-CG2 3.85Å; V131-T220 HydrophobicContact CG1-CG2 4.04Å; V132-T220 HydrophobicContact CG1-CG2 3.74Å; V191-T220 HydrophobicContact CG1-CG2 3.69Å; S216-T220 PolarHBondContact O-N 3.06Å; S216-T220 PolarHBondContact O-OG1 3.07Å; S217-T220 WeakPolarHBondContact O-CB 3.4Å; S217-T220 PolarHBondContact O-N 3.33Å; S218-T220 VanDerWaalsContact C-N 3.33Å; T220-A223 PolarHBondContact O-N 3.13Å; T220-L224 WeakPolarHBondContact O-CB 3.21Å; T220-L224 PolarHBondContact O-N 3.22Å
221	V	98.5	Very high	96.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-41.9	179.7	171.5	0	0	0	0	111.9	I4 L15 I71 V191 S217 S218 A223 L224 V225	I4-V221 HydrophobicContact CD1-CG1 3.86Å; I4-V221 HydrophobicContact CG1-CG1 4.32Å; I4-V221 HydrophobicContact CG2-CG1 4.14Å; L15-V221 HydrophobicContact CD1-CB 4.16Å; L15-V221 HydrophobicContact CD1-CG1 3.73Å; I71-V221 HydrophobicContact CD1-CG1 4.4Å; I71-V221 HydrophobicContact CG2-CG1 4.06Å; I71-V221 HydrophobicContact CG2-CG2 3.73Å; V191-V221 HydrophobicContact CB-CG2 4.06Å; V191-V221 HydrophobicContact CG1-CG2 4.11Å; S217-V221 WeakPolarHBondContact O-CG2 3.48Å; S217-V221 PolarHBondContact O-N 3.28Å; S218-V221 PolarHBondContact O-N 2.99Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 2.76Å; V221-L224 WeakPolarHBondContact O-CB 3.32Å; V221-L224 PolarHBondContact O-N 2.67Å; V221-V225 HydrophobicContact CG1-CG2 4.48Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.49Å; V221-V225 PolarHBondContact O-N 3.31Å
222	E	98.1	Very high	96.5	Very high	29 Å²	29	28.6 Å²	28.6	14%	0.136	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-43.7	175.5	-178.9	-173.2	178.6	0	0	111.6	L15 K18 L37 K38 S218 V225 S226	L15-E222 HydrophobicContact CD2-CB 3.9Å; K18-E222 WeakPolarHBondContact CD-OE2 3.47Å; K18-E222 IonicContact NZ-OE1 2.75Å; K18-E222 IonicContact NZ-OE2 3.75Å; K18-E222 PolarHBondContact NZ-OE2 3.29Å; L37-E222 HydrophobicContact CD1-CG 4.4Å; K38-E222 HydrophobicContact CD-CG 4.49Å; K38-E222 VanDerWaalsContact CE-CG 3.42Å; K38-E222 WeakPolarHBondContact CE-OE1 3.48Å; K38-E222 HydrophobicContact CG-CG 4.17Å; K38-E222 IonicContact NZ-OE1 2.77Å; K38-E222 PolarHBondContact NZ-OE1 2.77Å; S218-E222 WeakPolarHBondContact O-CB 3.29Å; S218-E222 PolarHBondContact O-N 3.46Å; E222-V225 PolarHBondContact O-N 3.44Å; E222-S226 PolarHBondContact O-N 2.98Å
223	A	97.8	Very high	96.6	Very high	20 Å²	20	23.1 Å²	23.1	17%	0.165	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-37	176.9	0	0	0	0	0	111.9	V131 Q135 Q219 T220 V221 V225 S226	V131-A223 HydrophobicContact CB-CB 4.5Å; V131-A223 HydrophobicContact CG1-CB 3.43Å; V131-A223 VanDerWaalsContact CG1-CB 3.43Å; V131-A223 HydrophobicContact CG2-CB 4.25Å; Q135-A223 VanDerWaalsContact NE2-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.1Å; Q219-A223 PolarHBondContact O-N 3.08Å; Q219-A223 VanDerWaalsContact O-N 3.16Å; T220-A223 PolarHBondContact O-N 3.13Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 2.76Å; A223-V225 PolarHBondContact O-N 2.93Å; A223-S226 PolarHBondContact O-N 3.43Å; A223-S226 PolarHBondContact O-OG 2.66Å
224	L	98.1	Very high	96.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-45.6	172.4	178.5	64.7	0	0	0	111.6	I71 K127 V128 V131 V189 T220 V221 S226 Q227 L228	I71-L224 HydrophobicContact CD1-CD2 3.69Å; I71-L224 HydrophobicContact CD1-CG 4.37Å; I71-L224 HydrophobicContact CG1-CD2 3.92Å; I71-L224 HydrophobicContact CG2-CD2 4.32Å; K127-L224 HydrophobicContact CB-CD1 3.58Å; V128-L224 HydrophobicContact CG2-CD1 3.72Å; V128-L224 HydrophobicContact CG2-CD2 3.46Å; V128-L224 VanDerWaalsContact CG2-CD2 3.46Å; V128-L224 HydrophobicContact CG2-CG 4.1Å; V131-L224 HydrophobicContact CG2-CB 4.45Å; V189-L224 HydrophobicContact CG1-CD2 4.2Å; T220-L224 WeakPolarHBondContact O-CB 3.21Å; T220-L224 PolarHBondContact O-N 3.22Å; V221-L224 WeakPolarHBondContact O-CB 3.32Å; V221-L224 PolarHBondContact O-N 2.67Å; L224-S226 PolarHBondContact O-N 2.86Å; L224-Q227 WeakPolarHBondContact O-CA 3.49Å; L224-Q227 PolarHBondContact O-N 3.45Å; L224-L228 HydrophobicContact CD1-CD2 4.46Å; L224-L228 HydrophobicContact CD1-CG 4.39Å; L224-L228 HydrophobicContact CG-CD1 4.2Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.02Å; L224-L228 VanDerWaalsContact O-N 3.14Å
225	V	98.4	Very high	96.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.2	-37.2	178.7	169.2	0	0	0	0	111.4	I2 I4 L37 K38 R40 V42 I71 V221 E222 A223 Q227 L228	I2-V225 HydrophobicContact CD1-CB 4.45Å; I2-V225 HydrophobicContact CD1-CG1 3.99Å; I2-V225 HydrophobicContact CD1-CG2 4.31Å; I2-V225 HydrophobicContact CG2-CG2 4.5Å; I4-V225 HydrophobicContact CD1-CG2 3.97Å; L37-V225 HydrophobicContact CB-CG1 4.26Å; L37-V225 HydrophobicContact CD2-CB 4.41Å; L37-V225 HydrophobicContact CD2-CG1 4.28Å; L37-V225 HydrophobicContact CD2-CG2 4.23Å; L37-V225 HydrophobicContact CG-CG1 4.23Å; L37-V225 WeakPolarHBondContact O-CG1 3.32Å; K38-V225 HydrophobicContact CB-CG1 4.35Å; R40-V225 HydrophobicContact CB-CG1 3.91Å; R40-V225 HydrophobicContact CG-CG1 4.12Å; R40-V225 WeakPolarHBondContact CG-O 3.43Å; V42-V225 HydrophobicContact CG1-CG1 4.01Å; I71-V225 HydrophobicContact CD1-CG2 4.28Å; V221-V225 HydrophobicContact CG1-CG2 4.48Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.49Å; V221-V225 PolarHBondContact O-N 3.31Å; E222-V225 PolarHBondContact O-N 3.44Å; A223-V225 PolarHBondContact O-N 2.93Å; V225-Q227 PolarHBondContact O-N 2.99Å; V225-L228 PolarHBondContact O-N 3.39Å
226	S	95.2	Very high	96.8	Very high	64 Å²	64	23.7 Å²	23.7	45%	0.448	13%	0.132	S	C	.	.	H	α-helix	trans	-67.5	-19.2	176.5	75.6	0	0	0	0	114.6	E222 A223 L224	E222-S226 PolarHBondContact O-N 2.98Å; A223-S226 PolarHBondContact O-N 3.43Å; A223-S226 PolarHBondContact O-OG 2.66Å; L224-S226 PolarHBondContact O-N 2.86Å
227	Q	93.7	Very high	96.9	Very high	48 Å²	48	24.7 Å²	24.7	22%	0.224	14%	0.136	C	C	.	.	H	α-helix	trans	-101.7	-8.3	179.8	-62.2	-170.1	6.6	0	0	113.6	K127 V131 Q134 L224 V225	K127-Q227 PolarHBondContact NZ-O 2.95Å; V131-Q227 VanDerWaalsContact CG2-CD 3.49Å; V131-Q227 HydrophobicContact CG2-CG 4.3Å; Q134-Q227 VanDerWaalsContact OE1-NE2 3.1Å; L224-Q227 WeakPolarHBondContact O-CA 3.49Å; L224-Q227 PolarHBondContact O-N 3.45Å; V225-Q227 PolarHBondContact O-N 2.99Å
228	L	94.6	Very high	96.9	Very high	49 Å²	49	26.9 Å²	26.9	26%	0.257	15%	0.148	S	C	.	.			trans	-82.8	0	172.2	-66.9	-179.8	0	0	0	110.3	I2 R40 V69 I71 L124 K127 L224 V225	I2-L228 HydrophobicContact CD1-CB 3.79Å; I2-L228 HydrophobicContact CD1-CD1 3.77Å; I2-L228 HydrophobicContact CD1-CG 4.42Å; I2-L228 HydrophobicContact CG1-CD1 4.09Å; I2-L228 HydrophobicContact CG2-CD1 4.35Å; R40-L228 PolarHBondContact NE-O 3.08Å; R40-L228 PolarHBondContact NH2-O 3.4Å; R40-L228 PolarHBondContact NH2-OXT 2.82Å; V69-L228 HydrophobicContact CG2-CD1 3.94Å; I71-L228 HydrophobicContact CD1-CD1 3.99Å; L124-L228 HydrophobicContact CD2-CD1 4.47Å; L124-L228 HydrophobicContact CD2-CD2 3.54Å; K127-L228 HydrophobicContact CD-CD2 3.61Å; L224-L228 HydrophobicContact CD1-CD2 4.46Å; L224-L228 HydrophobicContact CD1-CG 4.39Å; L224-L228 HydrophobicContact CG-CD1 4.2Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.02Å; L224-L228 VanDerWaalsContact O-N 3.14Å; V225-L228 PolarHBondContact O-N 3.39Å

Retrieved 228 of 228 residues in 188.7 ms (Link to these results)

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