A0A096N0K9_PAPAN Loading...

Putative hydroxypyruvate isomerase

Catalyzes the reversible isomerization between hydroxypyruvate and 2-hydroxy-3-oxopropanoate (also termed tartronate semialdehyde).

AlphaFold DB , UniProt , Accession A0A096N0K9, Species PAPAN (Papio anubis, Olive baboon), Gene HYI, Length 290 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	81.7	Confident	95.2	Very high	131 Å²	131	31.3 Å²	31.3	65%	0.645	18%	0.177	S	C	*	.				0	154.6	0	-75.3	161.6	-63.8	0	0	108.7	E238 D239	M1-E238 HydrophobicContact CB-CB 4.19Å; M1-D239 HydrophobicContact CE-CB 4.47Å; M1-D239 WeakPolarHBondContact CE-OD1 3.4Å; M1-D239 WeakPolarHBondContact SD-CA 3.23Å; M1-D239 HydrophobicContact SD-CB 4.34Å
2	A	87.9	Confident	95.5	Very high	51 Å²	51	34.8 Å²	34.8	42%	0.421	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-64.1	141.2	-176.9	0	0	0	0	0	110.5
3	P	93.5	Very high	95.7	Very high	40 Å²	40	32.2 Å²	32.2	26%	0.26	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-61.3	148.5	174.7	-19.1	31.9	0	0	0	111.5	R270	P3-R270 HydrophobicContact CB-CB 4.19Å; P3-R270 HydrophobicContact CG-CB 4.46Å; P3-R270 VanDerWaalsContact CG-O 3.24Å; P3-R270 WeakPolarHBondContact CG-O 3.32Å
4	L	96.8	Very high	95.9	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-66.3	150.4	169.8	-61.7	174.7	0	0	0	110.6	F6 F234 L237 E238 Y242 V246 Y266	L4-F6 HydrophobicContact CB-CE2 3.87Å; L4-F6 HydrophobicContact CB-CZ 4.06Å; L4-F6 HydrophobicContact CD1-CZ 4.34Å; L4-F234 HydrophobicContact CD1-CB 3.66Å; L4-F234 HydrophobicContact CD1-CD1 3.78Å; L4-F234 HydrophobicContact CD1-CG 3.91Å; L4-L237 HydrophobicContact CD1-CB 4.33Å; L4-L237 HydrophobicContact CD1-CD1 4.4Å; L4-L237 HydrophobicContact CD2-CB 3.96Å; L4-E238 HydrophobicContact CD1-CG 4.42Å; L4-E238 HydrophobicContact CD2-CG 4.05Å; L4-E238 HydrophobicContact CG-CG 3.81Å; L4-Y242 HydrophobicContact CD2-CD1 4.15Å; L4-V246 HydrophobicContact CB-CG2 4.45Å; L4-V246 HydrophobicContact CD1-CG2 4.3Å; L4-V246 HydrophobicContact CD2-CG2 4.41Å; L4-Y266 HydrophobicContact CB-CE1 4.39Å; L4-Y266 WeakPolarHBondContact CB-OH 3.22Å; L4-Y266 PolarHBondContact N-OH 3.47Å
5	R	97.2	Very high	96	Very high	65 Å²	65	32.7 Å²	32.7	25%	0.245	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.7	175.8	-57.4	170.1	66.3	-168	7	107.9	E33 R58 F245 V246 P273	R5-E33 IonicContact CZ-OE1 3.77Å; R5-E33 VanDerWaalsContact CZ-OE1 3.22Å; R5-E33 IonicContact NE-OE1 3.45Å; R5-E33 PolarHBondContact NE-OE1 3.38Å; R5-E33 IonicContact NH2-OE1 3.41Å; R5-E33 PolarHBondContact NH2-OE1 3.48Å; R5-R58 VanDerWaalsContact NH2-NH1 3.13Å; R5-F245 HydrophobicContact CB-CD1 3.58Å; R5-F245 HydrophobicContact CB-CE1 3.72Å; R5-F245 HydrophobicContact CB-CG 4.35Å; R5-F245 CarbonylContact O-C 3.54Å; R5-F245 WeakPolarHBondContact O-CA 3.37Å; R5-V246 PolarHBondContact O-N 3.26Å; R5-P273 HydrophobicContact CB-CG 4.45Å; R5-P273 HydrophobicContact CG-CB 4.02Å; R5-P273 HydrophobicContact CG-CG 3.8Å
6	F	98.3	Very high	96.1	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.1	-176.2	-66.2	-92.5	0	0	0	111.3	L4 F32 F234 V246 W262 L263 Y266	L4-F6 HydrophobicContact CB-CE2 3.87Å; L4-F6 HydrophobicContact CB-CZ 4.06Å; L4-F6 HydrophobicContact CD1-CZ 4.34Å; F6-F32 HydrophobicContact CB-CD1 4.4Å; F6-F32 HydrophobicContact CB-CE1 4.1Å; F6-F234 HydrophobicContact CE1-CE1 4.06Å; F6-F234 HydrophobicContact CE1-CE2 4.49Å; F6-F234 AromaticContact CE1-CZ 3.95Å; F6-F234 HydrophobicContact CE1-CZ 3.95Å; F6-F234 HydrophobicContact CZ-CE1 4.34Å; F6-F234 HydrophobicContact CZ-CE2 4.35Å; F6-F234 HydrophobicContact CZ-CZ 4.22Å; F6-V246 VanDerWaalsContact CA-O 3.28Å; F6-V246 WeakPolarHBondContact CA-O 3.1Å; F6-V246 HydrophobicContact CD1-CB 3.78Å; F6-V246 HydrophobicContact CD1-CG1 3.97Å; F6-V246 HydrophobicContact CE1-CB 3.87Å; F6-V246 HydrophobicContact CE1-CG1 3.83Å; F6-W262 AromaticContact CD1-CH2 3.8Å; F6-W262 HydrophobicContact CD1-CH2 3.8Å; F6-W262 HydrophobicContact CD1-CZ3 4.26Å; F6-W262 AromaticContact CE1-CH2 3.69Å; F6-W262 HydrophobicContact CE1-CH2 3.69Å; F6-W262 AromaticContact CE1-CZ3 3.73Å; F6-W262 HydrophobicContact CE1-CZ3 3.73Å; F6-W262 HydrophobicContact CZ-CH2 4.48Å; F6-W262 HydrophobicContact CZ-CZ3 4.13Å; F6-L263 HydrophobicContact CB-CD1 4.02Å; F6-L263 HydrophobicContact CD1-CD1 4.01Å; F6-L263 HydrophobicContact CD2-CD1 3.42Å; F6-L263 VanDerWaalsContact CD2-CD1 3.42Å; F6-L263 HydrophobicContact CE1-CD1 4.35Å; F6-L263 HydrophobicContact CE2-CD1 3.82Å; F6-L263 HydrophobicContact CG-CD1 3.53Å; F6-L263 HydrophobicContact CZ-CD1 4.26Å; F6-Y266 HydrophobicContact CD2-CD1 4.47Å; F6-Y266 HydrophobicContact CD2-CE1 4.5Å; F6-Y266 AromaticContact CE2-CD1 3.55Å; F6-Y266 HydrophobicContact CE2-CD1 3.55Å; F6-Y266 AromaticContact CE2-CE1 3.5Å; F6-Y266 HydrophobicContact CE2-CE1 3.5Å; F6-Y266 HydrophobicContact CE2-CG 4.18Å; F6-Y266 HydrophobicContact CZ-CD1 4.19Å; F6-Y266 HydrophobicContact CZ-CE1 4.22Å; F6-Y266 HydrophobicContact CZ-CG 4.39Å
7	S	98.7	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.7	169	45	0	0	0	0	110.5	A34 E36 V246 G247 C248	S7-A34 VanDerWaalsContact CA-O 3.25Å; S7-A34 WeakPolarHBondContact CA-O 3.25Å; S7-E36 PolarHBondContact OG-OE2 3.44Å; S7-V246 PolarHBondContact N-O 3.13Å; S7-G247 VanDerWaalsContact OG-CA 3.29Å; S7-G247 WeakPolarHBondContact OG-CA 3.34Å; S7-C248 WeakPolarHBondContact O-CB 3.41Å; S7-C248 PolarHBondContact O-N 2.72Å
8	A	98.8	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.6	170.2	0	0	0	0	0	110	L10 L13 F14 A27 F32 A34 V35 E36	A8-L10 HydrophobicContact CB-CD2 4.04Å; A8-L10 PolarHBondContact O-N 3.13Å; A8-L13 HydrophobicContact CB-CD1 4.03Å; A8-F14 HydrophobicContact CB-CE2 4.24Å; A8-A27 HydrophobicContact CB-CB 3.98Å; A8-F32 HydrophobicContact CB-CB 4.5Å; A8-F32 HydrophobicContact CB-CD1 3.86Å; A8-F32 HydrophobicContact CB-CD2 3.79Å; A8-F32 HydrophobicContact CB-CE1 3.9Å; A8-F32 HydrophobicContact CB-CE2 3.83Å; A8-F32 HydrophobicContact CB-CG 3.8Å; A8-F32 HydrophobicContact CB-CZ 3.88Å; A8-A34 PolarHBondContact N-O 2.97Å; A8-V35 HydrophobicContact CB-CG1 4.2Å; A8-V35 CarbonylContact O-C 3.55Å; A8-V35 WeakPolarHBondContact O-CA 3.49Å; A8-V35 WeakPolarHBondContact O-CB 3.36Å; A8-E36 PolarHBondContact O-N 2.84Å
9	N	98.8	Very high	95.9	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	105.1	171.1	-171.1	-49.8	0	0	0	109.9	S11 W12 L13 E36 C248 E249	N9-S11 PolarHBondContact O-N 2.98Å; N9-S11 VanDerWaalsContact OD1-CB 3.31Å; N9-S11 WeakPolarHBondContact OD1-CB 3.25Å; N9-S11 PolarHBondContact OD1-N 3.22Å; N9-W12 PolarHBondContact O-N 3.1Å; N9-W12 VanDerWaalsContact O-N 3.13Å; N9-W12 PolarHBondContact OD1-N 3.23Å; N9-L13 WeakPolarHBondContact O-CB 3.16Å; N9-L13 PolarHBondContact O-N 2.93Å; N9-E36 CarbonylContact C-O 3.57Å; N9-E36 VanDerWaalsContact CA-CG 3.48Å; N9-E36 WeakPolarHBondContact CA-O 3.35Å; N9-E36 HydrophobicContact CB-CG 3.58Å; N9-E36 WeakPolarHBondContact CB-OE1 3.38Å; N9-E36 PolarHBondContact ND2-OE1 3.01Å; N9-C248 WeakPolarHBondContact CB-O 3.35Å; N9-E249 HydrophobicContact CB-CB 4.13Å; N9-E249 HydrophobicContact CB-CG 4.34Å; N9-E249 VanDerWaalsContact ND2-CG 3.32Å; N9-E249 WeakPolarHBondContact ND2-CG 3.33Å; N9-E249 PolarHBondContact ND2-OE1 3.38Å
10	L	98.6	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.7	-173.8	-49.3	-178.3	0	0	0	113.6	A8 W12 F14 L20 R23 L24 A27 V35 E36 V37	A8-L10 HydrophobicContact CB-CD2 4.04Å; A8-L10 PolarHBondContact O-N 3.13Å; L10-W12 VanDerWaalsContact C-N 3.28Å; L10-F14 HydrophobicContact CD2-CD2 4.06Å; L10-F14 HydrophobicContact CD2-CE2 4.36Å; L10-L20 HydrophobicContact CB-CD2 4.13Å; L10-R23 HydrophobicContact CB-CB 4.24Å; L10-R23 HydrophobicContact CD1-CB 4.33Å; L10-R23 HydrophobicContact CD2-CB 4.2Å; L10-R23 HydrophobicContact CG-CB 4.49Å; L10-R23 VanDerWaalsContact O-CD 3.32Å; L10-R23 WeakPolarHBondContact O-CD 3.32Å; L10-R23 PolarHBondContact O-NH1 3.23Å; L10-L24 HydrophobicContact CD1-CD2 3.59Å; L10-L24 HydrophobicContact CD1-CG 3.69Å; L10-A27 HydrophobicContact CD2-CB 3.88Å; L10-V35 HydrophobicContact CD1-CB 4.01Å; L10-V35 HydrophobicContact CD1-CG1 4.09Å; L10-V35 HydrophobicContact CD1-CG2 4.12Å; L10-V35 HydrophobicContact CD2-CB 4.36Å; L10-V35 HydrophobicContact CD2-CG1 3.99Å; L10-V35 HydrophobicContact CG-CB 3.99Å; L10-V35 HydrophobicContact CG-CG1 4.13Å; L10-E36 PolarHBondContact N-O 3.48Å; L10-V37 HydrophobicContact CB-CG2 4.18Å; L10-V37 HydrophobicContact CD1-CG2 4.18Å; L10-V37 HydrophobicContact CG-CG2 4.35Å
11	S	97.5	Very high	95.9	Very high	47 Å²	47	39.9 Å²	39.9	33%	0.329	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.9	168.1	-63.5	0	0	0	0	111.6	N9 A38	N9-S11 PolarHBondContact O-N 2.98Å; N9-S11 VanDerWaalsContact OD1-CB 3.31Å; N9-S11 WeakPolarHBondContact OD1-CB 3.25Å; N9-S11 PolarHBondContact OD1-N 3.22Å; S11-A38 WeakPolarHBondContact OG-CB 3.44Å; S11-A38 PolarHBondContact OG-N 3.47Å
12	W	98.3	Very high	96.6	Very high	74 Å²	74	34.4 Å²	34.4	28%	0.28	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-39.9	-177.1	-72.5	87.1	0	0	0	114.3	N9 L10 P15 E249 Y250 Q251 P252	N9-W12 PolarHBondContact O-N 3.1Å; N9-W12 VanDerWaalsContact O-N 3.13Å; N9-W12 PolarHBondContact OD1-N 3.23Å; L10-W12 VanDerWaalsContact C-N 3.28Å; W12-P15 WeakPolarHBondContact O-CD 3.47Å; W12-E249 HydrophobicContact CD2-CG 4.35Å; W12-E249 HydrophobicContact CG-CG 3.91Å; W12-E249 VanDerWaalsContact NE1-CG 3.32Å; W12-E249 PolarHBondContact NE1-OE1 2.95Å; W12-Y250 WeakPolarHBondContact CB-O 3.33Å; W12-Q251 HydrophobicContact CE3-CB 4Å; W12-Q251 HydrophobicContact CZ3-CB 4.07Å; W12-P252 WeakPolarHBondContact O-CD 3.44Å
13	L	98.6	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-88.3	153.6	179.7	-58.1	-173	0	0	0	111.7	A8 N9 P15 F32 C248 Y250 P252 T256	A8-L13 HydrophobicContact CB-CD1 4.03Å; N9-L13 WeakPolarHBondContact O-CB 3.16Å; N9-L13 PolarHBondContact O-N 2.93Å; L13-P15 VanDerWaalsContact C-N 3.35Å; L13-F32 HydrophobicContact CD1-CZ 4.5Å; L13-C248 HydrophobicContact CD1-CB 3.76Å; L13-Y250 HydrophobicContact CD2-CD1 4.42Å; L13-Y250 HydrophobicContact CD2-CD2 3.8Å; L13-Y250 HydrophobicContact CD2-CE1 4.12Å; L13-Y250 HydrophobicContact CD2-CE2 3.4Å; L13-Y250 HydrophobicContact CD2-CG 4.27Å; L13-Y250 WeakPolarHBondContact CD2-O 3.48Å; L13-P252 HydrophobicContact CD2-CG 3.71Å; L13-T256 HydrophobicContact CB-CG2 4.09Å; L13-T256 HydrophobicContact CD2-CG2 4.37Å
14	F	98.4	Very high	97.3	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.182	C	C	.	.			trans	56.1	39.7	-174.9	-47.3	-77.7	0	0	0	113.6	A8 L10 E16 L17 R23 A26 A27 T256 V257 L260	A8-F14 HydrophobicContact CB-CE2 4.24Å; L10-F14 HydrophobicContact CD2-CD2 4.06Å; L10-F14 HydrophobicContact CD2-CE2 4.36Å; F14-E16 VanDerWaalsContact C-OE2 3.22Å; F14-E16 WeakPolarHBondContact CA-OE2 3.46Å; F14-E16 PolarHBondContact O-N 3.22Å; F14-L17 HydrophobicContact CB-CD1 4.2Å; F14-L17 HydrophobicContact CB-CG 4.45Å; F14-L17 PolarHBondContact O-N 3.5Å; F14-R23 HydrophobicContact CB-CB 4.16Å; F14-R23 HydrophobicContact CB-CG 3.83Å; F14-R23 WeakPolarHBondContact O-CG 3.49Å; F14-R23 PolarHBondContact O-NE 3.24Å; F14-R23 VanDerWaalsContact O-NE 3.13Å; F14-A26 HydrophobicContact CD1-CB 3.64Å; F14-A26 HydrophobicContact CE1-CB 3.82Å; F14-A26 HydrophobicContact CG-CB 4.05Å; F14-A26 HydrophobicContact CZ-CB 4.38Å; F14-A27 HydrophobicContact CD2-CB 4.48Å; F14-A27 HydrophobicContact CE2-CB 3.75Å; F14-A27 HydrophobicContact CZ-CB 4.29Å; F14-T256 WeakPolarHBondContact CA-OG1 3.23Å; F14-T256 HydrophobicContact CD1-CG2 3.6Å; F14-T256 HydrophobicContact CD2-CG2 4.34Å; F14-T256 HydrophobicContact CE1-CG2 3.56Å; F14-T256 HydrophobicContact CE2-CG2 4.3Å; F14-T256 HydrophobicContact CG-CG2 4.01Å; F14-T256 HydrophobicContact CZ-CG2 3.93Å; F14-T256 PolarHBondContact N-OG1 2.8Å; F14-T256 VanDerWaalsContact N-OG1 3.16Å; F14-V257 HydrophobicContact CE1-CG2 4.02Å; F14-L260 HydrophobicContact CZ-CD1 4.33Å
15	P	97.1	Very high	97.3	Very high	71 Å²	71	38.9 Å²	38.9	46%	0.461	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.8	179.4	29.1	-37.4	0	0	0	112.8	W12 L13 L17	W12-P15 WeakPolarHBondContact O-CD 3.47Å; L13-P15 VanDerWaalsContact C-N 3.35Å; P15-L17 PolarHBondContact O-N 3.44Å
16	E	97.3	Very high	97.4	Very high	88 Å²	88	36.6 Å²	36.6	41%	0.411	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.9	175.4	67.2	-82.6	-166.3	0	0	113.8	F14 T256	F14-E16 VanDerWaalsContact C-OE2 3.22Å; F14-E16 WeakPolarHBondContact CA-OE2 3.46Å; F14-E16 PolarHBondContact O-N 3.22Å; E16-T256 WeakPolarHBondContact OE1-CB 3.43Å; E16-T256 PolarHBondContact OE1-N 2.92Å; E16-T256 PolarHBondContact OE1-OG1 3.16Å; E16-T256 PolarHBondContact OE2-OG1 3Å
17	L	97.3	Very high	97.4	Very high	55 Å²	55	36.4 Å²	36.4	29%	0.288	20%	0.201	S	C	.	.	S	Bend	trans	-102.5	142.8	-179.3	-60	-178.2	0	0	0	112.8	F14 P15 A22 R23 A26	F14-L17 HydrophobicContact CB-CD1 4.2Å; F14-L17 HydrophobicContact CB-CG 4.45Å; F14-L17 PolarHBondContact O-N 3.5Å; P15-L17 PolarHBondContact O-N 3.44Å; L17-A22 HydrophobicContact CB-CB 4.03Å; L17-R23 HydrophobicContact CB-CG 4.05Å; L17-R23 PolarHBondContact O-NE 3.17Å; L17-R23 VanDerWaalsContact O-NE 3.11Å; L17-R23 PolarHBondContact O-NH2 2.69Å; L17-A26 HydrophobicContact CD1-CB 3.33Å
18	P	94.5	Very high	97.4	Very high	107 Å²	107	37.4 Å²	37.4	70%	0.695	21%	0.211	S	C	*	.	S	Bend	trans	-78.8	125.2	-177.7	31.2	-34.5	0	0	0	112.1	A22	P18-A22 HydrophobicContact CG-CB 4.41Å; P18-A22 VanDerWaalsContact O-CB 3.23Å; P18-A22 WeakPolarHBondContact O-CB 3.3Å
19	G	93.7	Very high	97.3	Very high	37 Å²	37	42.7 Å²	42.7	38%	0.381	25%	0.248	S	C	.	.	H	α-helix	trans	65.5	171.4	171.6	0	0	0	0	0	114.7	R23	G19-R23 VanDerWaalsContact O-CG 3.3Å; G19-R23 WeakPolarHBondContact O-CG 3.44Å; G19-R23 PolarHBondContact O-N 3.1Å
20	L	96	Very high	97.2	Very high	22 Å²	22	43.5 Å²	43.5	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-39.1	-177.5	-65.6	173.8	0	0	0	114	L10 A22 R23 L24 V37 P40 E43 L48	L10-L20 HydrophobicContact CB-CD2 4.13Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.29Å; L20-R23 PolarHBondContact O-N 2.89Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.3Å; L20-L24 PolarHBondContact O-N 3.39Å; L20-V37 HydrophobicContact CD1-CG1 3.98Å; L20-V37 HydrophobicContact CD2-CG1 3.75Å; L20-V37 HydrophobicContact CD2-CG2 4.19Å; L20-P40 HydrophobicContact CD1-CB 4.27Å; L20-E43 HydrophobicContact CD1-CG 4.34Å; L20-L48 HydrophobicContact CB-CD1 3.72Å; L20-L48 HydrophobicContact CD1-CD1 4.01Å; L20-L48 HydrophobicContact CD1-CD2 4.1Å
21	P	94.7	Very high	97	Very high	39 Å²	39	44.9 Å²	44.9	25%	0.253	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-37.5	-178.5	-27.3	36.6	0	0	0	114.4	R25 A51	P21-R25 PolarHBondContact O-N 3.4Å; P21-R25 PolarHBondContact O-NH1 2.86Å; P21-A51 HydrophobicContact CB-CB 4.35Å
22	A	96.4	Very high	97.1	Very high	15 Å²	15	43 Å²	43	12%	0.124	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-41.6	176.8	0	0	0	0	0	111.4	L17 P18 L20 R25 A26	L17-A22 HydrophobicContact CB-CB 4.03Å; P18-A22 HydrophobicContact CG-CB 4.41Å; P18-A22 VanDerWaalsContact O-CB 3.23Å; P18-A22 WeakPolarHBondContact O-CB 3.3Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.29Å; A22-R25 PolarHBondContact O-N 2.84Å; A22-A26 PolarHBondContact O-N 3.17Å; A22-A26 VanDerWaalsContact O-N 3.08Å
23	R	98.2	Very high	97	Very high	46 Å²	46	40.4 Å²	40.4	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-37.8	177.5	-62.9	-177.5	-171.7	-170.9	-1.7	112.5	L10 F14 L17 G19 L20 A26 A27	L10-R23 HydrophobicContact CB-CB 4.24Å; L10-R23 HydrophobicContact CD1-CB 4.33Å; L10-R23 HydrophobicContact CD2-CB 4.2Å; L10-R23 HydrophobicContact CG-CB 4.49Å; L10-R23 VanDerWaalsContact O-CD 3.32Å; L10-R23 WeakPolarHBondContact O-CD 3.32Å; L10-R23 PolarHBondContact O-NH1 3.23Å; F14-R23 HydrophobicContact CB-CB 4.16Å; F14-R23 HydrophobicContact CB-CG 3.83Å; F14-R23 WeakPolarHBondContact O-CG 3.49Å; F14-R23 PolarHBondContact O-NE 3.24Å; F14-R23 VanDerWaalsContact O-NE 3.13Å; L17-R23 HydrophobicContact CB-CG 4.05Å; L17-R23 PolarHBondContact O-NE 3.17Å; L17-R23 VanDerWaalsContact O-NE 3.11Å; L17-R23 PolarHBondContact O-NH2 2.69Å; G19-R23 VanDerWaalsContact O-CG 3.3Å; G19-R23 WeakPolarHBondContact O-CG 3.44Å; G19-R23 PolarHBondContact O-N 3.1Å; L20-R23 PolarHBondContact O-N 2.89Å; R23-A26 PolarHBondContact O-N 3.27Å; R23-A27 WeakPolarHBondContact O-CB 3.26Å; R23-A27 PolarHBondContact O-N 3.08Å
24	L	98.2	Very high	96.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-51.4	172.1	-78.2	166.2	0	0	0	111.6	L10 L20 A26 A27 G28 V35 L48 A51 A52 A55 L57 L59	L10-L24 HydrophobicContact CD1-CD2 3.59Å; L10-L24 HydrophobicContact CD1-CG 3.69Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.3Å; L20-L24 PolarHBondContact O-N 3.39Å; L24-A26 VanDerWaalsContact C-N 3.28Å; L24-A26 PolarHBondContact O-N 2.76Å; L24-A27 PolarHBondContact O-N 3.38Å; L24-G28 PolarHBondContact O-N 3.37Å; L24-V35 HydrophobicContact CD2-CG1 4.41Å; L24-V35 HydrophobicContact CD2-CG2 3.71Å; L24-L48 HydrophobicContact CD1-CD1 3.56Å; L24-A51 HydrophobicContact CD1-CB 3.8Å; L24-A52 HydrophobicContact CD1-CB 4.37Å; L24-A52 HydrophobicContact CD2-CB 4.14Å; L24-A55 HydrophobicContact CB-CB 4.37Å; L24-L57 HydrophobicContact CB-CD1 4.23Å; L24-L57 HydrophobicContact CD2-CD1 3.71Å; L24-L57 WeakPolarHBondContact O-CD1 3.37Å; L24-L59 HydrophobicContact CD2-CD1 4.43Å
25	R	97.7	Very high	97	Very high	141 Å²	141	40.3 Å²	40.3	53%	0.532	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-39.6	178.5	-71.6	-170.1	-62.6	-88.2	0	112.3	P21 A22 S29	P21-R25 PolarHBondContact O-N 3.4Å; P21-R25 PolarHBondContact O-NH1 2.86Å; A22-R25 PolarHBondContact O-N 2.84Å; R25-S29 WeakPolarHBondContact O-CB 3.38Å; R25-S29 PolarHBondContact O-N 2.81Å; R25-S29 PolarHBondContact O-OG 3.24Å
26	A	98.3	Very high	97	Very high	17 Å²	17	37 Å²	37	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-41.6	177.9	0	0	0	0	0	112.6	F14 L17 A22 R23 L24 S29 S30	F14-A26 HydrophobicContact CD1-CB 3.64Å; F14-A26 HydrophobicContact CE1-CB 3.82Å; F14-A26 HydrophobicContact CG-CB 4.05Å; F14-A26 HydrophobicContact CZ-CB 4.38Å; L17-A26 HydrophobicContact CD1-CB 3.33Å; A22-A26 PolarHBondContact O-N 3.17Å; A22-A26 VanDerWaalsContact O-N 3.08Å; R23-A26 PolarHBondContact O-N 3.27Å; L24-A26 VanDerWaalsContact C-N 3.28Å; L24-A26 PolarHBondContact O-N 2.76Å; A26-S29 PolarHBondContact O-N 3.38Å; A26-S30 WeakPolarHBondContact O-CB 3.34Å; A26-S30 PolarHBondContact O-N 3.31Å; A26-S30 PolarHBondContact O-OG 3.48Å
27	A	98.5	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-48.3	174.8	0	0	0	0	0	111.7	A8 L10 F14 R23 L24 S29 S30 G31 F32 V35 L57	A8-A27 HydrophobicContact CB-CB 3.98Å; L10-A27 HydrophobicContact CD2-CB 3.88Å; F14-A27 HydrophobicContact CD2-CB 4.48Å; F14-A27 HydrophobicContact CE2-CB 3.75Å; F14-A27 HydrophobicContact CZ-CB 4.29Å; R23-A27 WeakPolarHBondContact O-CB 3.26Å; R23-A27 PolarHBondContact O-N 3.08Å; L24-A27 PolarHBondContact O-N 3.38Å; A27-S29 PolarHBondContact O-N 3.08Å; A27-S30 WeakPolarHBondContact O-CB 3.23Å; A27-S30 PolarHBondContact O-N 3.09Å; A27-S30 VanDerWaalsContact O-N 3.09Å; A27-G31 PolarHBondContact O-N 3.29Å; A27-F32 HydrophobicContact CB-CB 4.46Å; A27-F32 HydrophobicContact CB-CD2 4.35Å; A27-F32 WeakPolarHBondContact O-CB 3.15Å; A27-F32 WeakPolarHBondContact O-CD2 3.27Å; A27-F32 PolarHBondContact O-N 3.05Å; A27-V35 HydrophobicContact CB-CG1 3.9Å; A27-L57 HydrophobicContact CB-CD1 4.05Å
28	G	97.7	Very high	97.1	Very high	21 Å²	21	30.9 Å²	30.9	22%	0.216	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-43.5	176.6	0	0	0	0	0	112.3	L24 S30 G31	L24-G28 PolarHBondContact O-N 3.37Å; G28-S30 PolarHBondContact O-N 2.83Å; G28-G31 PolarHBondContact O-N 3.36Å
29	S	97.3	Very high	97.2	Very high	110 Å²	110	29.5 Å²	29.5	77%	0.769	18%	0.176	S	C	*	.	H	α-helix	trans	-65.6	-21	176.1	-55.2	0	0	0	0	113.3	R25 A26 A27 G31	R25-S29 WeakPolarHBondContact O-CB 3.38Å; R25-S29 PolarHBondContact O-N 2.81Å; R25-S29 PolarHBondContact O-OG 3.24Å; A26-S29 PolarHBondContact O-N 3.38Å; A27-S29 PolarHBondContact O-N 3.08Å; S29-G31 VanDerWaalsContact C-N 3.32Å
30	S	97	Very high	97.3	Very high	21 Å²	21	27.7 Å²	27.7	15%	0.147	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.7	176.4	-56.8	0	0	0	0	113.5	A26 A27 G28	A26-S30 WeakPolarHBondContact O-CB 3.34Å; A26-S30 PolarHBondContact O-N 3.31Å; A26-S30 PolarHBondContact O-OG 3.48Å; A27-S30 WeakPolarHBondContact O-CB 3.23Å; A27-S30 PolarHBondContact O-N 3.09Å; A27-S30 VanDerWaalsContact O-N 3.09Å; G28-S30 PolarHBondContact O-N 2.83Å
31	G	95.4	Very high	97.3	Very high	29 Å²	29	28.6 Å²	28.6	30%	0.299	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	4.1	177	0	0	0	0	0	115	A27 G28 S29 H272	A27-G31 PolarHBondContact O-N 3.29Å; G28-G31 PolarHBondContact O-N 3.36Å; S29-G31 VanDerWaalsContact C-N 3.32Å; G31-H272 PolarHBondContact O-NE2 3.12Å
32	F	97.7	Very high	97.3	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.031	19%	0.187	C	C	.	.			trans	-68.3	142.9	171.6	-70.3	-85.1	0	0	0	110.5	F6 A8 L13 A27 L57 L260 L263	F6-F32 HydrophobicContact CB-CD1 4.4Å; F6-F32 HydrophobicContact CB-CE1 4.1Å; A8-F32 HydrophobicContact CB-CB 4.5Å; A8-F32 HydrophobicContact CB-CD1 3.86Å; A8-F32 HydrophobicContact CB-CD2 3.79Å; A8-F32 HydrophobicContact CB-CE1 3.9Å; A8-F32 HydrophobicContact CB-CE2 3.83Å; A8-F32 HydrophobicContact CB-CG 3.8Å; A8-F32 HydrophobicContact CB-CZ 3.88Å; L13-F32 HydrophobicContact CD1-CZ 4.5Å; A27-F32 HydrophobicContact CB-CB 4.46Å; A27-F32 HydrophobicContact CB-CD2 4.35Å; A27-F32 WeakPolarHBondContact O-CB 3.15Å; A27-F32 WeakPolarHBondContact O-CD2 3.27Å; A27-F32 PolarHBondContact O-N 3.05Å; F32-L57 HydrophobicContact CB-CD2 4.17Å; F32-L57 WeakPolarHBondContact O-CD2 3.49Å; F32-L260 HydrophobicContact CE2-CD1 3.8Å; F32-L260 HydrophobicContact CE2-CD2 3.91Å; F32-L260 HydrophobicContact CZ-CD2 3.79Å; F32-L263 HydrophobicContact CD1-CD2 4.32Å; F32-L263 HydrophobicContact CE1-CD2 3.49Å; F32-L263 VanDerWaalsContact CE1-CD2 3.49Å; F32-L263 HydrophobicContact CE2-CD2 4.05Å; F32-L263 HydrophobicContact CZ-CD2 3.33Å
33	E	96.1	Very high	97	Very high	20 Å²	20	33.9 Å²	33.9	9%	0.093	20%	0.195	C	C	.	.	S	Bend	trans	-103.3	-6.1	171	60.4	165.6	-155.4	0	0	112.9	R5 R58 F245	R5-E33 IonicContact CZ-OE1 3.77Å; R5-E33 VanDerWaalsContact CZ-OE1 3.22Å; R5-E33 IonicContact NE-OE1 3.45Å; R5-E33 PolarHBondContact NE-OE1 3.38Å; R5-E33 IonicContact NH2-OE1 3.41Å; R5-E33 PolarHBondContact NH2-OE1 3.48Å; E33-R58 PolarHBondContact O-N 3.44Å; E33-R58 IonicContact OE1-NH2 2.69Å; E33-R58 PolarHBondContact OE1-NH2 3.3Å; E33-R58 IonicContact OE2-NH2 2.63Å; E33-R58 PolarHBondContact OE2-NH2 3.11Å; E33-F245 HydrophobicContact CG-CE1 3.94Å; E33-F245 HydrophobicContact CG-CZ 4.44Å; E33-F245 WeakPolarHBondContact OE1-CE1 3.26Å; E33-F245 WeakPolarHBondContact OE1-CZ 3.28Å
34	A	98.4	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.7	-175.3	0	0	0	0	0	112.1	S7 A8 R58 V60 F245	S7-A34 VanDerWaalsContact CA-O 3.25Å; S7-A34 WeakPolarHBondContact CA-O 3.25Å; A8-A34 PolarHBondContact N-O 2.97Å; A34-R58 CarbonylContact C-O 3.56Å; A34-R58 WeakPolarHBondContact CA-O 3.16Å; A34-R58 HydrophobicContact CB-CB 4.5Å; A34-V60 HydrophobicContact CB-CG1 3.62Å; A34-V60 HydrophobicContact CB-CG2 4.23Å; A34-F245 HydrophobicContact CB-CD1 3.7Å; A34-F245 HydrophobicContact CB-CE1 3.27Å; A34-F245 HydrophobicContact CB-CE2 4.16Å; A34-F245 HydrophobicContact CB-CG 4.29Å; A34-F245 HydrophobicContact CB-CZ 3.48Å; A34-F245 VanDerWaalsContact CB-CZ 3.48Å
35	V	98.8	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155	177.1	-60.2	0	0	0	0	111.8	A8 L10 L24 A27 L57 R58 L59 V60	A8-V35 HydrophobicContact CB-CG1 4.2Å; A8-V35 CarbonylContact O-C 3.55Å; A8-V35 WeakPolarHBondContact O-CA 3.49Å; A8-V35 WeakPolarHBondContact O-CB 3.36Å; L10-V35 HydrophobicContact CD1-CB 4.01Å; L10-V35 HydrophobicContact CD1-CG1 4.09Å; L10-V35 HydrophobicContact CD1-CG2 4.12Å; L10-V35 HydrophobicContact CD2-CB 4.36Å; L10-V35 HydrophobicContact CD2-CG1 3.99Å; L10-V35 HydrophobicContact CG-CB 3.99Å; L10-V35 HydrophobicContact CG-CG1 4.13Å; L24-V35 HydrophobicContact CD2-CG1 4.41Å; L24-V35 HydrophobicContact CD2-CG2 3.71Å; A27-V35 HydrophobicContact CB-CG1 3.9Å; V35-L57 HydrophobicContact CG1-CB 4.48Å; V35-L57 HydrophobicContact CG1-CD1 3.64Å; V35-L57 HydrophobicContact CG1-CD2 4.01Å; V35-L57 HydrophobicContact CG1-CG 4.27Å; V35-R58 PolarHBondContact N-O 3.24Å; V35-L59 HydrophobicContact CG2-CD1 3.73Å; V35-L59 HydrophobicContact CG2-CG 3.84Å; V35-L59 CarbonylContact O-C 3.52Å; V35-L59 WeakPolarHBondContact O-CA 3.42Å; V35-V60 VanDerWaalsContact O-CG2 3.25Å; V35-V60 WeakPolarHBondContact O-CG2 3.47Å; V35-V60 PolarHBondContact O-N 3.36Å
36	E	98.8	Very high	96.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.1	170.3	59.6	-168.5	-136.5	0	0	109.7	S7 A8 N9 L10 V60 L61 H210 Q212 G247	S7-E36 PolarHBondContact OG-OE2 3.44Å; A8-E36 PolarHBondContact O-N 2.84Å; N9-E36 CarbonylContact C-O 3.57Å; N9-E36 VanDerWaalsContact CA-CG 3.48Å; N9-E36 WeakPolarHBondContact CA-O 3.35Å; N9-E36 HydrophobicContact CB-CG 3.58Å; N9-E36 WeakPolarHBondContact CB-OE1 3.38Å; N9-E36 PolarHBondContact ND2-OE1 3.01Å; L10-E36 PolarHBondContact N-O 3.48Å; E36-V60 HydrophobicContact CB-CG2 4.31Å; E36-L61 WeakPolarHBondContact CA-O 3.31Å; E36-L61 HydrophobicContact CB-CB 3.8Å; E36-H210 IonicContact OE2-CD2 2.77Å; E36-H210 IonicContact OE2-CE1 2.78Å; E36-H210 PolarHBondContact OE2-CE1 2.93Å; E36-H210 IonicContact OE2-NE2 3.57Å; E36-H210 PolarHBondContact OE2-NE2 3.17Å; E36-Q212 PolarHBondContact OE1-NE2 3.23Å; E36-G247 VanDerWaalsContact OE2-CA 3.27Å; E36-G247 WeakPolarHBondContact OE2-CA 3.48Å
37	V	97.9	Very high	96.5	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	125.5	-177.4	-176	0	0	0	0	108.2	L10 L20 P40 L61 I62	L10-V37 HydrophobicContact CB-CG2 4.18Å; L10-V37 HydrophobicContact CD1-CG2 4.18Å; L10-V37 HydrophobicContact CG-CG2 4.35Å; L20-V37 HydrophobicContact CD1-CG1 3.98Å; L20-V37 HydrophobicContact CD2-CG1 3.75Å; L20-V37 HydrophobicContact CD2-CG2 4.19Å; V37-P40 HydrophobicContact CG1-CB 4.31Å; V37-L61 PolarHBondContact N-O 3.24Å; V37-L61 VanDerWaalsContact N-O 3.09Å; V37-I62 VanDerWaalsContact O-CA 3.26Å; V37-I62 WeakPolarHBondContact O-CA 3.37Å
38	A	96.9	Very high	96.3	Very high	11 Å²	11	36 Å²	36	9%	0.091	23%	0.225	C	C	.	.	S	Bend	trans	-56.9	-60.7	179.2	0	0	0	0	0	111.2	S11 N63	S11-A38 WeakPolarHBondContact OG-CB 3.44Å; S11-A38 PolarHBondContact OG-N 3.47Å; A38-N63 WeakPolarHBondContact O-CA 3.34Å; A38-N63 WeakPolarHBondContact O-CB 3.35Å; A38-N63 PolarHBondContact O-N 3.08Å
39	W	97.2	Very high	96.3	Very high	77 Å²	77	35.1 Å²	35.1	29%	0.292	22%	0.217	S	C	.	.			trans	-134.9	100.1	-176.5	-54.4	-54.8	0	0	0	111.8	Y41 T64 P66 M74 M108	W39-Y41 VanDerWaalsContact C-N 3.25Å; W39-Y41 HydrophobicContact CB-CD2 3.84Å; W39-Y41 HydrophobicContact CB-CE2 4.05Å; W39-Y41 AromaticContact CD1-CE2 3.87Å; W39-Y41 HydrophobicContact CG-CD2 4.45Å; W39-Y41 HydrophobicContact CG-CE2 4.32Å; W39-Y41 PolarHBondContact O-N 3.45Å; W39-T64 PolarHBondContact NE1-O 3.28Å; W39-P66 HydrophobicContact CD2-CB 4.48Å; W39-P66 HydrophobicContact CD2-CG 4Å; W39-P66 HydrophobicContact CE3-CG 4.46Å; W39-P66 HydrophobicContact CG-CG 4.44Å; W39-P66 HydrophobicContact CH2-CB 4.23Å; W39-P66 HydrophobicContact CH2-CG 4.48Å; W39-P66 HydrophobicContact CZ2-CB 3.61Å; W39-P66 HydrophobicContact CZ2-CG 4.01Å; W39-M74 HydrophobicContact CH2-CE 4.36Å; W39-M74 HydrophobicContact CH2-SD 3.66Å; W39-M74 HydrophobicContact CZ2-SD 3.81Å; W39-M108 HydrophobicContact CZ2-CE 3.89Å; W39-M108 HydrophobicContact CZ2-SD 3.65Å; W39-M108 PolarHBondContact NE1-SD 3.15Å
40	P	96.8	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.202	C	C	.	.			trans	-82.1	3.1	-179.2	33.8	-37.2	0	0	0	114.2	L20 V37 A42 E43 L48 I62 Y96	L20-P40 HydrophobicContact CD1-CB 4.27Å; V37-P40 HydrophobicContact CG1-CB 4.31Å; P40-A42 PolarHBondContact O-N 2.97Å; P40-E43 PolarHBondContact O-N 3.25Å; P40-E43 VanDerWaalsContact O-N 3.11Å; P40-L48 HydrophobicContact CB-CD2 3.53Å; P40-I62 HydrophobicContact CG-CB 4.47Å; P40-I62 HydrophobicContact CG-CG2 4.05Å; P40-Y96 HydrophobicContact CB-CD1 4.09Å; P40-Y96 HydrophobicContact CB-CE1 4.29Å; P40-Y96 HydrophobicContact CG-CD1 3.67Å; P40-Y96 HydrophobicContact CG-CE1 4.22Å; P40-Y96 HydrophobicContact CG-CG 4.43Å
41	Y	96.5	Very high	96.2	Very high	40 Å²	40	35.3 Å²	35.3	16%	0.157	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.6	-161.1	-53.7	-57.4	0	0	0	116.7	W39 E43 N63 P65 Q92 A93 Y96	W39-Y41 VanDerWaalsContact C-N 3.25Å; W39-Y41 HydrophobicContact CB-CD2 3.84Å; W39-Y41 HydrophobicContact CB-CE2 4.05Å; W39-Y41 AromaticContact CD1-CE2 3.87Å; W39-Y41 HydrophobicContact CG-CD2 4.45Å; W39-Y41 HydrophobicContact CG-CE2 4.32Å; W39-Y41 PolarHBondContact O-N 3.45Å; Y41-E43 VanDerWaalsContact C-N 3.3Å; Y41-N63 PolarHBondContact OH-O 3.35Å; Y41-P65 HydrophobicContact CD2-CB 4.41Å; Y41-P65 HydrophobicContact CD2-CG 4.15Å; Y41-P65 HydrophobicContact CE1-CG 4.45Å; Y41-P65 HydrophobicContact CE2-CB 4.09Å; Y41-P65 HydrophobicContact CE2-CG 3.64Å; Y41-P65 WeakPolarHBondContact OH-CD 3.43Å; Y41-Q92 HydrophobicContact CD1-CG 3.96Å; Y41-Q92 HydrophobicContact CE1-CG 3.99Å; Y41-A93 WeakPolarHBondContact OH-CB 3.44Å; Y41-Y96 HydrophobicContact CD1-CD1 4.14Å; Y41-Y96 AromaticContact CD1-CD2 3.86Å; Y41-Y96 HydrophobicContact CD1-CD2 3.86Å; Y41-Y96 HydrophobicContact CD1-CE1 4.08Å; Y41-Y96 AromaticContact CD1-CE2 3.8Å; Y41-Y96 HydrophobicContact CD1-CE2 3.8Å; Y41-Y96 HydrophobicContact CD1-CG 4.02Å; Y41-Y96 AromaticContact CD1-CZ 3.91Å; Y41-Y96 HydrophobicContact CE1-CD1 4.41Å; Y41-Y96 HydrophobicContact CE1-CD2 4.01Å; Y41-Y96 HydrophobicContact CE1-CE2 4.41Å; Y41-Y96 HydrophobicContact CE1-CG 4Å; Y41-Y96 PolarHBondContact O-OH 3.4Å
42	A	92.8	Very high	96.3	Very high	99 Å²	99	34.2 Å²	34.2	82%	0.818	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.5	174.6	0	0	0	0	0	112.5	P40	P40-A42 PolarHBondContact O-N 2.97Å
43	E	91.8	Very high	96.2	Very high	66 Å²	66	41.2 Å²	41.2	31%	0.308	21%	0.214	S	C	.	.	S	Bend	trans	-108.1	140	-176.9	-64.2	-69.7	-179.4	0	0	110.5	L20 P40 Y41 Y96	L20-E43 HydrophobicContact CD1-CG 4.34Å; P40-E43 PolarHBondContact O-N 3.25Å; P40-E43 VanDerWaalsContact O-N 3.11Å; Y41-E43 VanDerWaalsContact C-N 3.3Å; E43-Y96 VanDerWaalsContact O-CE1 3.3Å; E43-Y96 WeakPolarHBondContact O-CE1 3.47Å; E43-Y96 PolarHBondContact O-OH 2.89Å
44	P	95.3	Very high	96.3	Very high	79 Å²	79	47.7 Å²	47.7	51%	0.513	24%	0.244	S	C	.	.			trans	-58	131.9	172.7	-23.2	33.5	0	0	0	111	E46 A47 L48	P44-E46 VanDerWaalsContact C-N 3.27Å; P44-E46 PolarHBondContact O-N 3.32Å; P44-A47 HydrophobicContact CB-CB 4.24Å; P44-A47 WeakPolarHBondContact O-CB 3.45Å; P44-A47 PolarHBondContact O-N 3.07Å; P44-L48 PolarHBondContact O-N 2.84Å; P44-L48 VanDerWaalsContact O-N 3.11Å
45	P	95.9	Very high	96.2	Very high	31 Å²	31	48.6 Å²	48.6	20%	0.201	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-36.4	-171.3	21.7	-32.3	0	0	0	112.7	A47 L48 A49 Y96 A99	P45-A47 VanDerWaalsContact C-N 3.34Å; P45-A47 PolarHBondContact O-N 2.87Å; P45-L48 PolarHBondContact O-N 3.35Å; P45-A49 WeakPolarHBondContact O-CB 3.47Å; P45-A49 PolarHBondContact O-N 3.2Å; P45-Y96 HydrophobicContact CB-CD1 3.81Å; P45-Y96 HydrophobicContact CB-CD2 4.39Å; P45-Y96 HydrophobicContact CB-CE1 3.94Å; P45-Y96 HydrophobicContact CB-CG 4.07Å; P45-Y96 HydrophobicContact CG-CD2 4.45Å; P45-Y96 HydrophobicContact CG-CE1 4.36Å; P45-Y96 HydrophobicContact CG-CE2 4.26Å; P45-A99 HydrophobicContact CB-CB 3.74Å; P45-A99 HydrophobicContact CG-CB 4.4Å
46	E	95.1	Very high	96.1	Very high	104 Å²	104	51.4 Å²	51.4	49%	0.486	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-33.7	177.3	-62.1	-57.9	161.7	0	0	113.6	P44 R50	P44-E46 VanDerWaalsContact C-N 3.27Å; P44-E46 PolarHBondContact O-N 3.32Å; E46-R50 WeakPolarHBondContact O-CG 3.36Å; E46-R50 PolarHBondContact O-N 3.49Å; E46-R50 VanDerWaalsContact O-N 3.11Å; E46-R50 PolarHBondContact O-NH1 3.08Å
47	A	94.3	Very high	96.1	Very high	33 Å²	33	51.9 Å²	51.9	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-70.5	-42.9	176.1	0	0	0	0	0	110.4	P44 P45 R50 A51	P44-A47 HydrophobicContact CB-CB 4.24Å; P44-A47 WeakPolarHBondContact O-CB 3.45Å; P44-A47 PolarHBondContact O-N 3.07Å; P45-A47 VanDerWaalsContact C-N 3.34Å; P45-A47 PolarHBondContact O-N 2.87Å; A47-R50 PolarHBondContact O-N 2.94Å; A47-A51 PolarHBondContact O-N 2.92Å
48	L	95.4	Very high	96.1	Very high	2 Å²	2	57 Å²	57	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-39.9	176.4	-172.7	65.4	0	0	0	111.8	L20 L24 P40 P44 P45 R50 A51 A52 L59 L100	L20-L48 HydrophobicContact CB-CD1 3.72Å; L20-L48 HydrophobicContact CD1-CD1 4.01Å; L20-L48 HydrophobicContact CD1-CD2 4.1Å; L24-L48 HydrophobicContact CD1-CD1 3.56Å; P40-L48 HydrophobicContact CB-CD2 3.53Å; P44-L48 PolarHBondContact O-N 2.84Å; P44-L48 VanDerWaalsContact O-N 3.11Å; P45-L48 PolarHBondContact O-N 3.35Å; L48-R50 PolarHBondContact O-N 3.33Å; L48-A51 PolarHBondContact O-N 2.91Å; L48-A52 WeakPolarHBondContact O-CB 3.41Å; L48-A52 PolarHBondContact O-N 2.6Å; L48-L59 HydrophobicContact CD2-CD2 4.36Å; L48-L100 HydrophobicContact CB-CD2 3.86Å; L48-L100 HydrophobicContact CD2-CD1 4.14Å; L48-L100 HydrophobicContact CD2-CD2 3.88Å; L48-L100 HydrophobicContact CG-CD2 3.78Å
49	A	96.1	Very high	96.1	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-42.8	175	0	0	0	0	0	112.2	P45 A52 R53 A99 L100	P45-A49 WeakPolarHBondContact O-CB 3.47Å; P45-A49 PolarHBondContact O-N 3.2Å; A49-A52 PolarHBondContact O-N 3.48Å; A49-R53 WeakPolarHBondContact O-CG 3.29Å; A49-R53 PolarHBondContact O-N 3.32Å; A49-R53 VanDerWaalsContact O-N 3.07Å; A49-A99 VanDerWaalsContact CB-O 3.3Å; A49-A99 WeakPolarHBondContact CB-O 3.17Å; A49-L100 HydrophobicContact CB-CD2 4.01Å
50	R	96.3	Very high	96.2	Very high	123 Å²	123	53.2 Å²	53.2	46%	0.464	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-49.5	173.8	-77.9	-171.5	-59.4	-86.3	4.7	111.5	E46 A47 L48 A52 R53 E54	E46-R50 WeakPolarHBondContact O-CG 3.36Å; E46-R50 PolarHBondContact O-N 3.49Å; E46-R50 VanDerWaalsContact O-N 3.11Å; E46-R50 PolarHBondContact O-NH1 3.08Å; A47-R50 PolarHBondContact O-N 2.94Å; L48-R50 PolarHBondContact O-N 3.33Å; R50-A52 VanDerWaalsContact C-N 3.29Å; R50-A52 PolarHBondContact O-N 2.85Å; R50-R53 VanDerWaalsContact CG-NH2 3.29Å; R50-R53 PolarHBondContact O-N 3.2Å; R50-E54 WeakPolarHBondContact O-CG 3.49Å; R50-E54 PolarHBondContact O-N 2.81Å
51	A	96.3	Very high	96.3	Very high	12 Å²	12	53.3 Å²	53.3	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-39	180	0	0	0	0	0	112.4	P21 L24 A47 L48 A55	P21-A51 HydrophobicContact CB-CB 4.35Å; L24-A51 HydrophobicContact CD1-CB 3.8Å; A47-A51 PolarHBondContact O-N 2.92Å; L48-A51 PolarHBondContact O-N 2.91Å; A51-A55 WeakPolarHBondContact O-CB 3.4Å; A51-A55 PolarHBondContact O-N 3.29Å; A51-A55 VanDerWaalsContact O-N 3.1Å
52	A	97.2	Very high	96.4	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-44.8	175.8	0	0	0	0	0	111.9	L24 L48 A49 R50 A55 G56 L57 L59	L24-A52 HydrophobicContact CD1-CB 4.37Å; L24-A52 HydrophobicContact CD2-CB 4.14Å; L48-A52 WeakPolarHBondContact O-CB 3.41Å; L48-A52 PolarHBondContact O-N 2.6Å; A49-A52 PolarHBondContact O-N 3.48Å; R50-A52 VanDerWaalsContact C-N 3.29Å; R50-A52 PolarHBondContact O-N 2.85Å; A52-A55 CarbonylContact O-C 3.57Å; A52-A55 PolarHBondContact O-N 2.88Å; A52-G56 PolarHBondContact O-N 3.4Å; A52-G56 VanDerWaalsContact O-N 3.13Å; A52-L57 PolarHBondContact O-N 3.24Å; A52-L59 HydrophobicContact CB-CD1 3.48Å; A52-L59 VanDerWaalsContact CB-CD1 3.48Å
53	R	96.8	Very high	96.7	Very high	155 Å²	155	47.4 Å²	47.4	59%	0.585	24%	0.244	S	C	*	.	H	α-helix	trans	-62.1	-44	175.8	-73.4	-169.9	-59.4	-92.6	6.9	112.6	A49 R50 A55 G56	A49-R53 WeakPolarHBondContact O-CG 3.29Å; A49-R53 PolarHBondContact O-N 3.32Å; A49-R53 VanDerWaalsContact O-N 3.07Å; R50-R53 VanDerWaalsContact CG-NH2 3.29Å; R50-R53 PolarHBondContact O-N 3.2Å; R53-A55 PolarHBondContact O-N 3.36Å; R53-G56 PolarHBondContact O-N 2.94Å
54	E	96.9	Very high	97	Very high	155 Å²	155	44.3 Å²	44.3	72%	0.724	23%	0.23	S	C	*	.	H	α-helix	trans	-61.6	-32.1	176.8	-73.5	169.9	-170.2	0	0	112.2	R50 G56	R50-E54 WeakPolarHBondContact O-CG 3.49Å; R50-E54 PolarHBondContact O-N 2.81Å; E54-G56 VanDerWaalsContact C-N 3.32Å
55	A	97.1	Very high	97.2	Very high	20 Å²	20	41.7 Å²	41.7	17%	0.165	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.9	174.6	0	0	0	0	0	113.9	L24 A51 A52 R53 L57	L24-A55 HydrophobicContact CB-CB 4.37Å; A51-A55 WeakPolarHBondContact O-CB 3.4Å; A51-A55 PolarHBondContact O-N 3.29Å; A51-A55 VanDerWaalsContact O-N 3.1Å; A52-A55 CarbonylContact O-C 3.57Å; A52-A55 PolarHBondContact O-N 2.88Å; R53-A55 PolarHBondContact O-N 3.36Å; A55-L57 VanDerWaalsContact C-N 3.33Å; A55-L57 HydrophobicContact CB-CD1 3.77Å; A55-L57 HydrophobicContact CB-CG 4.04Å
56	G	96.9	Very high	97.2	Very high	58 Å²	58	40.8 Å²	40.8	60%	0.598	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	25.2	-177.5	0	0	0	0	0	114.3	A52 R53 E54	A52-G56 PolarHBondContact O-N 3.4Å; A52-G56 VanDerWaalsContact O-N 3.13Å; R53-G56 PolarHBondContact O-N 2.94Å; E54-G56 VanDerWaalsContact C-N 3.32Å
57	L	98.1	Very high	97.3	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.058	20%	0.2	C	C	.	.			trans	-108.9	143.8	-171.2	-67.5	170.6	0	0	0	113	L24 A27 F32 V35 A52 A55	L24-L57 HydrophobicContact CB-CD1 4.23Å; L24-L57 HydrophobicContact CD2-CD1 3.71Å; L24-L57 WeakPolarHBondContact O-CD1 3.37Å; A27-L57 HydrophobicContact CB-CD1 4.05Å; F32-L57 HydrophobicContact CB-CD2 4.17Å; F32-L57 WeakPolarHBondContact O-CD2 3.49Å; V35-L57 HydrophobicContact CG1-CB 4.48Å; V35-L57 HydrophobicContact CG1-CD1 3.64Å; V35-L57 HydrophobicContact CG1-CD2 4.01Å; V35-L57 HydrophobicContact CG1-CG 4.27Å; A52-L57 PolarHBondContact O-N 3.24Å; A55-L57 VanDerWaalsContact C-N 3.33Å; A55-L57 HydrophobicContact CB-CD1 3.77Å; A55-L57 HydrophobicContact CB-CG 4.04Å
58	R	97.6	Very high	97.4	Very high	113 Å²	113	38.1 Å²	38.1	43%	0.426	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.3	166.4	-68.4	174.6	-84.1	-163.4	-10.8	110.4	R5 E33 A34 V35 V60	R5-R58 VanDerWaalsContact NH2-NH1 3.13Å; E33-R58 PolarHBondContact O-N 3.44Å; E33-R58 IonicContact OE1-NH2 2.69Å; E33-R58 PolarHBondContact OE1-NH2 3.3Å; E33-R58 IonicContact OE2-NH2 2.63Å; E33-R58 PolarHBondContact OE2-NH2 3.11Å; A34-R58 CarbonylContact C-O 3.56Å; A34-R58 WeakPolarHBondContact CA-O 3.16Å; A34-R58 HydrophobicContact CB-CB 4.5Å; V35-R58 PolarHBondContact N-O 3.24Å; R58-V60 HydrophobicContact CB-CG1 4.34Å
59	L	98.1	Very high	97.2	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.6	165.1	-90.1	76.9	0	0	0	109.1	L24 V35 L48 A52 L100 C102 P103	L24-L59 HydrophobicContact CD2-CD1 4.43Å; V35-L59 HydrophobicContact CG2-CD1 3.73Å; V35-L59 HydrophobicContact CG2-CG 3.84Å; V35-L59 CarbonylContact O-C 3.52Å; V35-L59 WeakPolarHBondContact O-CA 3.42Å; L48-L59 HydrophobicContact CD2-CD2 4.36Å; A52-L59 HydrophobicContact CB-CD1 3.48Å; A52-L59 VanDerWaalsContact CB-CD1 3.48Å; L59-L100 HydrophobicContact CB-CB 4.36Å; L59-L100 HydrophobicContact CD2-CB 4.06Å; L59-L100 HydrophobicContact CD2-CD1 3.53Å; L59-L100 HydrophobicContact CD2-CD2 3.94Å; L59-L100 HydrophobicContact CD2-CG 4.01Å; L59-C102 HydrophobicContact CB-CB 4.09Å; L59-C102 WeakPolarHBondContact O-CA 3.48Å; L59-P103 WeakPolarHBondContact O-CD 3.42Å
60	V	98.6	Very high	97.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-16	-170.9	-66.8	0	0	0	0	114.7	A34 V35 E36 R58 C102 R104 F245	A34-V60 HydrophobicContact CB-CG1 3.62Å; A34-V60 HydrophobicContact CB-CG2 4.23Å; V35-V60 VanDerWaalsContact O-CG2 3.25Å; V35-V60 WeakPolarHBondContact O-CG2 3.47Å; V35-V60 PolarHBondContact O-N 3.36Å; E36-V60 HydrophobicContact CB-CG2 4.31Å; R58-V60 HydrophobicContact CB-CG1 4.34Å; V60-C102 VanDerWaalsContact C-SG 3.57Å; V60-R104 PolarHBondContact O-NE 3.34Å; V60-R104 PolarHBondContact O-NH2 3.22Å; V60-R104 VanDerWaalsContact O-NH2 3.09Å; V60-F245 HydrophobicContact CB-CD2 4.18Å; V60-F245 HydrophobicContact CG1-CD2 3.61Å; V60-F245 HydrophobicContact CG1-CE2 3.52Å; V60-F245 HydrophobicContact CG1-CG 4.27Å; V60-F245 HydrophobicContact CG1-CZ 4.13Å
61	L	98.9	Very high	96.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	138.3	177.3	174.9	62.5	0	0	0	110.9	E36 V37 C102 R104 H106 L148 H210	E36-L61 WeakPolarHBondContact CA-O 3.31Å; E36-L61 HydrophobicContact CB-CB 3.8Å; V37-L61 PolarHBondContact N-O 3.24Å; V37-L61 VanDerWaalsContact N-O 3.09Å; L61-C102 PolarHBondContact N-SG 2.73Å; L61-R104 HydrophobicContact CD1-CB 4.02Å; L61-H106 HydrophobicContact CD1-CB 4.12Å; L61-L148 HydrophobicContact CD1-CD1 3.61Å; L61-L148 HydrophobicContact CD2-CD1 4.44Å; L61-H210 VanDerWaalsContact CD2-CD2 3.5Å; L61-H210 WeakPolarHBondContact CD2-CD2 3.27Å
62	I	98.8	Very high	96.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	164.6	163.7	63.7	173.6	0	0	0	110.8	V37 P40 A97 R104 I105 H106	V37-I62 VanDerWaalsContact O-CA 3.26Å; V37-I62 WeakPolarHBondContact O-CA 3.37Å; P40-I62 HydrophobicContact CG-CB 4.47Å; P40-I62 HydrophobicContact CG-CG2 4.05Å; I62-A97 HydrophobicContact CD1-CB 4.16Å; I62-R104 PolarHBondContact N-O 3.07Å; I62-I105 HydrophobicContact CD1-CG1 4.43Å; I62-I105 HydrophobicContact CG1-CG1 4.07Å; I62-I105 CarbonylContact O-C 3.52Å; I62-I105 VanDerWaalsContact O-CA 3.23Å; I62-I105 WeakPolarHBondContact O-CA 3.41Å; I62-H106 PolarHBondContact O-N 3.21Å
63	N	98.9	Very high	96.7	Very high	15 Å²	15	55.9 Å²	55.9	8%	0.08	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	150.2	176.4	-55.2	-1.4	0	0	0	110.5	A38 Y41 H106 M108	A38-N63 WeakPolarHBondContact O-CA 3.34Å; A38-N63 WeakPolarHBondContact O-CB 3.35Å; A38-N63 PolarHBondContact O-N 3.08Å; Y41-N63 PolarHBondContact OH-O 3.35Å; N63-H106 CarbonylContact C-O 3.59Å; N63-H106 WeakPolarHBondContact CA-O 3.3Å; N63-H106 HydrophobicContact CB-CB 4.4Å; N63-H106 WeakPolarHBondContact OD1-CB 3.25Å; N63-M108 HydrophobicContact CB-CG 3.99Å; N63-M108 HydrophobicContact CB-SD 3.92Å
64	T	98.8	Very high	96.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.012	27%	0.271	C	S	.	.			trans	-53.1	151.6	163	52.2	0	0	0	0	111	W39 F86 A93 I105 H106 L107 M108	W39-T64 PolarHBondContact NE1-O 3.28Å; T64-F86 HydrophobicContact CG2-CE2 4.45Å; T64-A93 HydrophobicContact CG2-CB 4.34Å; T64-I105 HydrophobicContact CG2-CG2 3.88Å; T64-H106 PolarHBondContact N-O 3.05Å; T64-H106 PolarHBondContact OG1-O 3.47Å; T64-L107 HydrophobicContact CG2-CD2 3.7Å; T64-M108 PolarHBondContact OG1-N 3.23Å
65	P	98.5	Very high	96.7	Very high	24 Å²	24	43.2 Å²	43.2	16%	0.156	24%	0.237	C	C	.	.			trans	-51.2	141.5	176.1	-26.4	34.9	0	0	0	112.2	Y41 G67 G89	Y41-P65 HydrophobicContact CD2-CB 4.41Å; Y41-P65 HydrophobicContact CD2-CG 4.15Å; Y41-P65 HydrophobicContact CE1-CG 4.45Å; Y41-P65 HydrophobicContact CE2-CB 4.09Å; Y41-P65 HydrophobicContact CE2-CG 3.64Å; Y41-P65 WeakPolarHBondContact OH-CD 3.43Å; P65-G67 PolarHBondContact O-N 3.24Å; P65-G89 WeakPolarHBondContact CD-O 3.48Å
66	P	97.5	Very high	96.8	Very high	12 Å²	12	42.7 Å²	42.7	8%	0.078	23%	0.232	C	C	.	.			trans	-74.4	-8.2	-175.7	29.6	-32.3	0	0	0	113.2	W39 Q69 E73 M74 G75	W39-P66 HydrophobicContact CD2-CB 4.48Å; W39-P66 HydrophobicContact CD2-CG 4Å; W39-P66 HydrophobicContact CE3-CG 4.46Å; W39-P66 HydrophobicContact CG-CG 4.44Å; W39-P66 HydrophobicContact CH2-CB 4.23Å; W39-P66 HydrophobicContact CH2-CG 4.48Å; W39-P66 HydrophobicContact CZ2-CB 3.61Å; W39-P66 HydrophobicContact CZ2-CG 4.01Å; P66-Q69 HydrophobicContact CB-CG 4.06Å; P66-Q69 HydrophobicContact CG-CG 3.74Å; P66-E73 CarbonylContact O-C 3.59Å; P66-E73 WeakPolarHBondContact O-CB 3.33Å; P66-M74 PolarHBondContact O-N 3.43Å; P66-G75 PolarHBondContact O-N 3.19Å
67	G	96.6	Very high	96.9	Very high	33 Å²	33	40 Å²	40	34%	0.34	20%	0.204	S	C	.	.			trans	83	-152.9	-164.4	0	0	0	0	0	111.3	P65 Q69 E73	P65-G67 PolarHBondContact O-N 3.24Å; G67-Q69 PolarHBondContact O-N 3.34Å; G67-E73 WeakPolarHBondContact CA-OE2 3.36Å
68	D	95.2	Very high	96.9	Very high	48 Å²	48	39.4 Å²	39.4	26%	0.257	20%	0.201	S	C	.	.			trans	-84.3	97.8	179.1	-171.9	-24.3	0	0	0	111	E70 K71 G72 E73	D68-E70 VanDerWaalsContact C-N 3.25Å; D68-E70 PolarHBondContact O-N 2.84Å; D68-E70 WeakPolarHBondContact OD1-CB 3.5Å; D68-E70 PolarHBondContact OD1-N 3.32Å; D68-K71 HydrophobicContact CB-CB 4.16Å; D68-K71 HydrophobicContact CB-CD 4.25Å; D68-K71 HydrophobicContact CB-CG 4.27Å; D68-K71 PolarHBondContact O-N 2.8Å; D68-K71 VanDerWaalsContact O-N 3.17Å; D68-K71 PolarHBondContact OD1-N 2.97Å; D68-K71 VanDerWaalsContact OD1-N 3.13Å; D68-K71 WeakPolarHBondContact OD2-CD 3.36Å; D68-K71 WeakPolarHBondContact OD2-CE 3.23Å; D68-K71 WeakPolarHBondContact OD2-CG 3.3Å; D68-K71 IonicContact OD2-NZ 2.82Å; D68-K71 PolarHBondContact OD2-NZ 3.37Å; D68-G72 PolarHBondContact O-N 2.91Å; D68-E73 PolarHBondContact N-OE2 3.06Å; D68-E73 VanDerWaalsContact O-CB 3.27Å; D68-E73 WeakPolarHBondContact O-CB 3.46Å; D68-E73 WeakPolarHBondContact O-CG 3.3Å; D68-E73 PolarHBondContact O-N 3.08Å
69	Q	92.6	Very high	96.9	Very high	108 Å²	108	35.4 Å²	35.4	51%	0.505	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-66.4	-26.3	-179.6	-62.5	-174.2	-74.7	0	0	112.7	P66 G67 K71 G72	P66-Q69 HydrophobicContact CB-CG 4.06Å; P66-Q69 HydrophobicContact CG-CG 3.74Å; G67-Q69 PolarHBondContact O-N 3.34Å; Q69-K71 VanDerWaalsContact C-N 3.26Å; Q69-K71 PolarHBondContact O-N 2.87Å; Q69-G72 WeakPolarHBondContact O-CA 3.43Å; Q69-G72 PolarHBondContact O-N 2.81Å
70	E	93.1	Very high	96.9	Very high	195 Å²	195	37 Å²	37	91%	0.911	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-68.6	-30.2	175.9	-59	-171.9	156.6	0	0	111.2	D68 G72	D68-E70 VanDerWaalsContact C-N 3.25Å; D68-E70 PolarHBondContact O-N 2.84Å; D68-E70 WeakPolarHBondContact OD1-CB 3.5Å; D68-E70 PolarHBondContact OD1-N 3.32Å; E70-G72 PolarHBondContact O-N 3.07Å
71	K	92.3	Very high	96.8	Very high	155 Å²	155	40.2 Å²	40.2	67%	0.674	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-83	4.2	169.9	-65.5	-175.9	-175.8	115.9	0	113.8	D68 Q69	D68-K71 HydrophobicContact CB-CB 4.16Å; D68-K71 HydrophobicContact CB-CD 4.25Å; D68-K71 HydrophobicContact CB-CG 4.27Å; D68-K71 PolarHBondContact O-N 2.8Å; D68-K71 VanDerWaalsContact O-N 3.17Å; D68-K71 PolarHBondContact OD1-N 2.97Å; D68-K71 VanDerWaalsContact OD1-N 3.13Å; D68-K71 WeakPolarHBondContact OD2-CD 3.36Å; D68-K71 WeakPolarHBondContact OD2-CE 3.23Å; D68-K71 WeakPolarHBondContact OD2-CG 3.3Å; D68-K71 IonicContact OD2-NZ 2.82Å; D68-K71 PolarHBondContact OD2-NZ 3.37Å; Q69-K71 VanDerWaalsContact C-N 3.26Å; Q69-K71 PolarHBondContact O-N 2.87Å
72	G	92.6	Very high	96.7	Very high	31 Å²	31	43.6 Å²	43.6	32%	0.32	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	24.1	-179.7	0	0	0	0	0	114	D68 Q69 E70 R111	D68-G72 PolarHBondContact O-N 2.91Å; Q69-G72 WeakPolarHBondContact O-CA 3.43Å; Q69-G72 PolarHBondContact O-N 2.81Å; E70-G72 PolarHBondContact O-N 3.07Å; G72-R111 VanDerWaalsContact O-CD 3.25Å; G72-R111 WeakPolarHBondContact O-CD 3.47Å; G72-R111 PolarHBondContact O-NH1 3.22Å
73	E	96	Very high	96.7	Very high	30 Å²	30	45.8 Å²	45.8	14%	0.14	26%	0.256	C	S	.	.			trans	-75.4	148.2	173.6	-60.5	173	-172.5	0	0	111.2	P66 G67 D68 L76 R82	P66-E73 CarbonylContact O-C 3.59Å; P66-E73 WeakPolarHBondContact O-CB 3.33Å; G67-E73 WeakPolarHBondContact CA-OE2 3.36Å; D68-E73 PolarHBondContact N-OE2 3.06Å; D68-E73 VanDerWaalsContact O-CB 3.27Å; D68-E73 WeakPolarHBondContact O-CB 3.46Å; D68-E73 WeakPolarHBondContact O-CG 3.3Å; D68-E73 PolarHBondContact O-N 3.08Å; E73-L76 HydrophobicContact CB-CD2 4.49Å; E73-L76 HydrophobicContact CG-CD2 4.44Å; E73-R82 VanDerWaalsContact CD-NH1 3.28Å; E73-R82 IonicContact OE1-CZ 3.59Å; E73-R82 IonicContact OE1-NH1 3.54Å; E73-R82 PolarHBondContact OE1-NH1 2.99Å; E73-R82 IonicContact OE1-NH2 2.6Å; E73-R82 PolarHBondContact OE1-NH2 2.9Å; E73-R82 IonicContact OE2-CZ 3.39Å; E73-R82 IonicContact OE2-NH1 3.95Å; E73-R82 PolarHBondContact OE2-NH1 3.03Å; E73-R82 IonicContact OE2-NH2 2.77Å; E73-R82 PolarHBondContact OE2-NH2 3.41Å
74	M	97.1	Very high	96.7	Very high	42 Å²	42	48.7 Å²	48.7	21%	0.207	28%	0.281	C	S	.	.			trans	-148.7	56.5	180	-168.8	60.2	73.8	0	0	110	W39 P66 M108 G110 R111 Y161	W39-M74 HydrophobicContact CH2-CE 4.36Å; W39-M74 HydrophobicContact CH2-SD 3.66Å; W39-M74 HydrophobicContact CZ2-SD 3.81Å; P66-M74 PolarHBondContact O-N 3.43Å; M74-M108 HydrophobicContact CG-CE 3.85Å; M74-M108 HydrophobicContact SD-CE 3.77Å; M74-G110 VanDerWaalsContact O-CA 3.29Å; M74-G110 WeakPolarHBondContact O-CA 3.44Å; M74-G110 PolarHBondContact O-N 3.41Å; M74-R111 HydrophobicContact CB-CG 4.16Å; M74-Y161 HydrophobicContact CG-CD2 4.42Å; M74-Y161 HydrophobicContact CG-CE2 4.22Å; M74-Y161 WeakPolarHBondContact O-CE2 3.43Å
75	G	98.3	Very high	96.7	Very high	1 Å²	1	50 Å²	50	1%	0.01	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	100.3	157.1	-169.2	0	0	0	0	0	112.2	P66 G110	P66-G75 PolarHBondContact O-N 3.19Å; G75-G110 VanDerWaalsContact C-CA 3.5Å; G75-G110 WeakPolarHBondContact O-CA 3.35Å
76	L	98.6	Very high	96.7	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.052	29%	0.287	C	S	.	.			trans	-130.1	-0.6	-171.9	-60.6	177.8	0	0	0	113.1	E73 A78 V79 R82 A85 F86 M108	E73-L76 HydrophobicContact CB-CD2 4.49Å; E73-L76 HydrophobicContact CG-CD2 4.44Å; L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 3.39Å; L76-V79 PolarHBondContact O-N 3.44Å; L76-R82 HydrophobicContact CB-CB 4.34Å; L76-R82 HydrophobicContact CD2-CB 4.19Å; L76-R82 HydrophobicContact CD2-CG 4.31Å; L76-A85 HydrophobicContact CD1-CB 3.83Å; L76-F86 HydrophobicContact CB-CB 4.12Å; L76-M108 PolarHBondContact N-O 3.22Å
77	G	98.6	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.9	-171	0	0	0	0	0	114.3	F86 M108 A109 F129 N132	G77-F86 VanDerWaalsContact CA-CD2 3.46Å; G77-M108 PolarHBondContact N-O 3.25Å; G77-A109 PolarHBondContact N-O 2.82Å; G77-A109 VanDerWaalsContact N-O 3.17Å; G77-F129 WeakPolarHBondContact O-CA 3.12Å; G77-N132 WeakPolarHBondContact O-CB 3.29Å; G77-N132 PolarHBondContact O-ND2 3.25Å
78	A	98.7	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	5.5	-177	0	0	0	0	0	113.1	L76 P80 A109 M125 F129 F162	L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 3.39Å; A78-P80 WeakPolarHBondContact O-CD 3.39Å; A78-A109 WeakPolarHBondContact CA-O 3.33Å; A78-A109 HydrophobicContact CB-CB 4.37Å; A78-A109 VanDerWaalsContact CB-O 3.29Å; A78-A109 WeakPolarHBondContact CB-O 3.31Å; A78-A109 PolarHBondContact N-O 3.41Å; A78-M125 HydrophobicContact CB-CB 4.39Å; A78-M125 HydrophobicContact CB-CE 4.19Å; A78-M125 VanDerWaalsContact O-CA 3.32Å; A78-M125 WeakPolarHBondContact O-CA 3.43Å; A78-M125 WeakPolarHBondContact O-CB 3.38Å; A78-F129 HydrophobicContact CB-CB 3.67Å; A78-F129 HydrophobicContact CB-CD1 4.45Å; A78-F129 HydrophobicContact CB-CD2 4.2Å; A78-F129 HydrophobicContact CB-CG 3.89Å; A78-F162 HydrophobicContact CB-CB 4.45Å; A78-F162 HydrophobicContact CB-CD1 3.5Å; A78-F162 VanDerWaalsContact CB-CD1 3.5Å; A78-F162 HydrophobicContact CB-CE1 3.87Å; A78-F162 HydrophobicContact CB-CG 3.98Å
79	V	98	Very high	97	Very high	28 Å²	28	55.7 Å²	55.7	17%	0.17	31%	0.305	C	S	.	.			trans	-88.7	115.3	-171.3	-177.4	0	0	0	0	110.3	L76 G81 R82	L76-V79 PolarHBondContact O-N 3.44Å; V79-G81 PolarHBondContact O-N 3Å; V79-R82 HydrophobicContact CB-CB 4.11Å; V79-R82 HydrophobicContact CB-CG 4.21Å; V79-R82 HydrophobicContact CG1-CB 4.17Å; V79-R82 HydrophobicContact CG1-CG 3.71Å; V79-R82 WeakPolarHBondContact O-CB 3.48Å; V79-R82 PolarHBondContact O-N 3.47Å; V79-R82 VanDerWaalsContact O-N 3.12Å
80	P	96.8	Very high	97.3	Very high	39 Å²	39	50.5 Å²	50.5	25%	0.253	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	137.3	-179.6	-23.8	34.8	0	0	0	112.6	A78 R82 E124 M125 V128	A78-P80 WeakPolarHBondContact O-CD 3.39Å; P80-R82 VanDerWaalsContact C-N 3.25Å; P80-R82 PolarHBondContact O-N 2.82Å; P80-E124 HydrophobicContact CB-CG 4.26Å; P80-E124 WeakPolarHBondContact CB-OE1 3.37Å; P80-E124 HydrophobicContact CG-CG 3.8Å; P80-M125 HydrophobicContact CG-CG 4.27Å; P80-V128 HydrophobicContact CB-CG2 4.19Å; P80-V128 HydrophobicContact CG-CG2 4.17Å
81	G	96.6	Very high	97.6	Very high	69 Å²	69	46.6 Å²	46.6	71%	0.711	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-0.2	-177.4	0	0	0	0	0	114.7	V79 Q83	V79-G81 PolarHBondContact O-N 3Å; G81-Q83 VanDerWaalsContact C-OE1 3.27Å; G81-Q83 VanDerWaalsContact CA-OE1 3.24Å
82	R	97.9	Very high	97.9	Very high	74 Å²	74	42 Å²	42	28%	0.279	24%	0.243	S	C	.	.			trans	-111.2	13.4	-179.3	-59.8	-60.7	-66.1	-81.3	-6.7	114.5	E73 L76 V79 P80 A84 A85 F86	E73-R82 VanDerWaalsContact CD-NH1 3.28Å; E73-R82 IonicContact OE1-CZ 3.59Å; E73-R82 IonicContact OE1-NH1 3.54Å; E73-R82 PolarHBondContact OE1-NH1 2.99Å; E73-R82 IonicContact OE1-NH2 2.6Å; E73-R82 PolarHBondContact OE1-NH2 2.9Å; E73-R82 IonicContact OE2-CZ 3.39Å; E73-R82 IonicContact OE2-NH1 3.95Å; E73-R82 PolarHBondContact OE2-NH1 3.03Å; E73-R82 IonicContact OE2-NH2 2.77Å; E73-R82 PolarHBondContact OE2-NH2 3.41Å; L76-R82 HydrophobicContact CB-CB 4.34Å; L76-R82 HydrophobicContact CD2-CB 4.19Å; L76-R82 HydrophobicContact CD2-CG 4.31Å; V79-R82 HydrophobicContact CB-CB 4.11Å; V79-R82 HydrophobicContact CB-CG 4.21Å; V79-R82 HydrophobicContact CG1-CB 4.17Å; V79-R82 HydrophobicContact CG1-CG 3.71Å; V79-R82 WeakPolarHBondContact O-CB 3.48Å; V79-R82 PolarHBondContact O-N 3.47Å; V79-R82 VanDerWaalsContact O-N 3.12Å; P80-R82 VanDerWaalsContact C-N 3.25Å; P80-R82 PolarHBondContact O-N 2.82Å; R82-A84 PolarHBondContact O-N 3.4Å; R82-A85 PolarHBondContact O-N 3.26Å; R82-F86 PolarHBondContact O-N 2.83Å
83	Q	98.4	Very high	98.2	Very high	46 Å²	46	40.5 Å²	40.5	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-54.7	-47.2	178.7	-63.1	93.2	-41.3	0	0	112.6	G81 A85 F86 R87 V128	G81-Q83 VanDerWaalsContact C-OE1 3.27Å; G81-Q83 VanDerWaalsContact CA-OE1 3.24Å; Q83-A85 PolarHBondContact O-N 3.21Å; Q83-F86 WeakPolarHBondContact O-CB 3.48Å; Q83-F86 PolarHBondContact O-N 3.46Å; Q83-R87 VanDerWaalsContact O-CG 3.3Å; Q83-R87 WeakPolarHBondContact O-CG 3.29Å; Q83-R87 PolarHBondContact O-N 3.12Å; Q83-V128 HydrophobicContact CG-CG1 4.01Å
84	A	98.6	Very high	98.3	Very high	75 Å²	75	39.6 Å²	39.6	62%	0.62	23%	0.225	S	C	*	.	H	α-helix	trans	-60.9	-45.4	179.6	0	0	0	0	0	112.1	R82 F86 R87 E88	R82-A84 PolarHBondContact O-N 3.4Å; A84-F86 VanDerWaalsContact C-N 3.35Å; A84-F86 PolarHBondContact O-N 2.9Å; A84-R87 PolarHBondContact O-N 3.13Å; A84-E88 PolarHBondContact O-N 3.44Å
85	A	98.6	Very high	98.4	Very high	31 Å²	31	45.6 Å²	45.6	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-36.4	177.4	0	0	0	0	0	112.5	L76 R82 Q83 G89	L76-A85 HydrophobicContact CD1-CB 3.83Å; R82-A85 PolarHBondContact O-N 3.26Å; Q83-A85 PolarHBondContact O-N 3.21Å; A85-G89 PolarHBondContact O-N 3.38Å
86	F	98.8	Very high	98.4	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-44.4	171.5	170.7	-95.6	0	0	0	111.6	T64 L76 G77 R82 Q83 A84 G89 L90 L107 N132 A136	T64-F86 HydrophobicContact CG2-CE2 4.45Å; L76-F86 HydrophobicContact CB-CB 4.12Å; G77-F86 VanDerWaalsContact CA-CD2 3.46Å; R82-F86 PolarHBondContact O-N 2.83Å; Q83-F86 WeakPolarHBondContact O-CB 3.48Å; Q83-F86 PolarHBondContact O-N 3.46Å; A84-F86 VanDerWaalsContact C-N 3.35Å; A84-F86 PolarHBondContact O-N 2.9Å; F86-G89 PolarHBondContact O-N 3.43Å; F86-L90 WeakPolarHBondContact O-CB 3.38Å; F86-L90 PolarHBondContact O-N 3.34Å; F86-L107 HydrophobicContact CZ-CD2 4.36Å; F86-N132 HydrophobicContact CD1-CB 3.59Å; F86-N132 WeakPolarHBondContact CD1-OD1 3.4Å; F86-N132 HydrophobicContact CE1-CB 3.53Å; F86-N132 HydrophobicContact CG-CB 4.32Å; F86-N132 HydrophobicContact CZ-CB 4.19Å; F86-A136 HydrophobicContact CE1-CB 4.34Å; F86-A136 HydrophobicContact CZ-CB 4.29Å
87	R	98.8	Very high	98.4	Very high	81 Å²	81	46.1 Å²	46.1	31%	0.306	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-43.6	-179.6	-65.7	-179.5	-169.1	-173.1	4.3	112.2	Q83 A84 G89 L90 E91 E131	Q83-R87 VanDerWaalsContact O-CG 3.3Å; Q83-R87 WeakPolarHBondContact O-CG 3.29Å; Q83-R87 PolarHBondContact O-N 3.12Å; A84-R87 PolarHBondContact O-N 3.13Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 2.85Å; R87-L90 WeakPolarHBondContact O-CB 3.32Å; R87-L90 PolarHBondContact O-N 2.95Å; R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 2.95Å; R87-E131 IonicContact NH2-OE1 2.78Å; R87-E131 PolarHBondContact NH2-OE1 3.48Å
88	E	98.7	Very high	98.4	Very high	138 Å²	138	51.4 Å²	51.4	65%	0.645	27%	0.269	S	S	*	.	H	α-helix	trans	-59.9	-43.1	172	-75.8	-180	163.9	0	0	111.8	A84 L90 E91 Q92	A84-E88 PolarHBondContact O-N 3.44Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 3.44Å; E88-E91 PolarHBondContact O-N 2.87Å; E88-Q92 PolarHBondContact O-N 2.82Å
89	G	98.8	Very high	98.3	Very high	10 Å²	10	52.6 Å²	52.6	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-37.1	176.4	0	0	0	0	0	113	P65 A85 F86 R87 Q92 A93	P65-G89 WeakPolarHBondContact CD-O 3.48Å; A85-G89 PolarHBondContact O-N 3.38Å; F86-G89 PolarHBondContact O-N 3.43Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 2.85Å; G89-Q92 WeakPolarHBondContact O-CB 3.3Å; G89-Q92 PolarHBondContact O-N 2.86Å; G89-A93 WeakPolarHBondContact O-CB 3.48Å; G89-A93 PolarHBondContact O-N 3.18Å
90	L	98.9	Very high	98.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-47.4	173.3	175	69.1	0	0	0	111.2	F86 R87 E88 Q92 A93 V94 L107 A136 V139 L140	F86-L90 WeakPolarHBondContact O-CB 3.38Å; F86-L90 PolarHBondContact O-N 3.34Å; R87-L90 WeakPolarHBondContact O-CB 3.32Å; R87-L90 PolarHBondContact O-N 2.95Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 3.44Å; L90-Q92 VanDerWaalsContact C-N 3.25Å; L90-Q92 PolarHBondContact O-N 2.93Å; L90-A93 WeakPolarHBondContact O-CB 3.28Å; L90-A93 PolarHBondContact O-N 3Å; L90-A93 VanDerWaalsContact O-N 3.08Å; L90-V94 HydrophobicContact CD1-CG2 4.25Å; L90-V94 HydrophobicContact CG-CG2 4.42Å; L90-V94 WeakPolarHBondContact O-CG2 3.34Å; L90-V94 PolarHBondContact O-N 2.96Å; L90-L107 HydrophobicContact CD1-CD2 3.85Å; L90-A136 HydrophobicContact CD1-CB 4.29Å; L90-A136 HydrophobicContact CD2-CB 3.71Å; L90-V139 HydrophobicContact CD2-CB 4.1Å; L90-V139 HydrophobicContact CD2-CG1 4.28Å; L90-V139 HydrophobicContact CD2-CG2 4.22Å; L90-L140 HydrophobicContact CD1-CD2 4.22Å; L90-L140 HydrophobicContact CD1-CG 4.49Å
91	E	98.8	Very high	98.3	Very high	113 Å²	113	53.2 Å²	53.2	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-38.3	176.4	-71.1	175.4	-172.2	0	0	111.7	R87 E88 R95	R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 2.95Å; E88-E91 PolarHBondContact O-N 2.87Å; E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 2.94Å; E91-R95 VanDerWaalsContact O-N 3.08Å
92	Q	98.7	Very high	98.4	Very high	58 Å²	58	50 Å²	50	27%	0.271	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-48.4	171.6	-175.9	178.7	9.1	0	0	111.7	Y41 E88 G89 L90 V94 R95 Y96	Y41-Q92 HydrophobicContact CD1-CG 3.96Å; Y41-Q92 HydrophobicContact CE1-CG 3.99Å; E88-Q92 PolarHBondContact O-N 2.82Å; G89-Q92 WeakPolarHBondContact O-CB 3.3Å; G89-Q92 PolarHBondContact O-N 2.86Å; L90-Q92 VanDerWaalsContact C-N 3.25Å; L90-Q92 PolarHBondContact O-N 2.93Å; Q92-V94 VanDerWaalsContact C-N 3.33Å; Q92-V94 PolarHBondContact O-N 3.34Å; Q92-R95 PolarHBondContact O-N 3.38Å; Q92-Y96 HydrophobicContact CG-CD2 4.25Å; Q92-Y96 HydrophobicContact CG-CE2 4.23Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.09Å; Q92-Y96 PolarHBondContact O-N 3.28Å; Q92-Y96 VanDerWaalsContact O-N 3.11Å
93	A	98.8	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-42.6	179	0	0	0	0	0	111.8	Y41 T64 G89 L90 Y96 A97 I105	Y41-A93 WeakPolarHBondContact OH-CB 3.44Å; T64-A93 HydrophobicContact CG2-CB 4.34Å; G89-A93 WeakPolarHBondContact O-CB 3.48Å; G89-A93 PolarHBondContact O-N 3.18Å; L90-A93 WeakPolarHBondContact O-CB 3.28Å; L90-A93 PolarHBondContact O-N 3Å; L90-A93 VanDerWaalsContact O-N 3.08Å; A93-Y96 PolarHBondContact O-N 3.32Å; A93-A97 WeakPolarHBondContact O-CB 3.33Å; A93-A97 PolarHBondContact O-N 3.41Å; A93-I105 HydrophobicContact CB-CD1 3.95Å; A93-I105 HydrophobicContact CB-CG2 3.95Å
94	V	98.8	Very high	98.5	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-45	176.6	170	0	0	0	0	111.4	L90 Q92 Y96 A97 K98 I105 V139 L140 E143 L145	L90-V94 HydrophobicContact CD1-CG2 4.25Å; L90-V94 HydrophobicContact CG-CG2 4.42Å; L90-V94 WeakPolarHBondContact O-CG2 3.34Å; L90-V94 PolarHBondContact O-N 2.96Å; Q92-V94 VanDerWaalsContact C-N 3.33Å; Q92-V94 PolarHBondContact O-N 3.34Å; V94-Y96 VanDerWaalsContact C-N 3.3Å; V94-Y96 PolarHBondContact O-N 2.81Å; V94-A97 PolarHBondContact O-N 2.85Å; V94-K98 HydrophobicContact CG1-CD 4.02Å; V94-K98 HydrophobicContact CG1-CG 4.41Å; V94-K98 WeakPolarHBondContact O-CG 3.32Å; V94-K98 PolarHBondContact O-N 3.45Å; V94-I105 HydrophobicContact CG2-CD1 4.06Å; V94-V139 HydrophobicContact CG2-CG1 4.05Å; V94-L140 HydrophobicContact CG2-CD2 3.82Å; V94-E143 HydrophobicContact CG1-CG 4Å; V94-L145 HydrophobicContact CB-CD1 4.46Å; V94-L145 HydrophobicContact CG1-CD1 4.15Å; V94-L145 HydrophobicContact CG2-CD1 4.17Å
95	R	98.5	Very high	98.5	Very high	167 Å²	167	44.9 Å²	44.9	63%	0.63	23%	0.229	S	C	*	.	H	α-helix	trans	-57.7	-43.4	175.3	-75.7	-174.9	-65.6	162.9	-2.2	112.2	E91 Q92 A99	E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 2.94Å; E91-R95 VanDerWaalsContact O-N 3.08Å; Q92-R95 PolarHBondContact O-N 3.38Å; R95-A99 PolarHBondContact O-N 3.33Å
96	Y	98.6	Very high	98.5	Very high	23 Å²	23	43.5 Å²	43.5	9%	0.09	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-47	176.2	-88.6	-108.4	0	0	0	111.4	P40 Y41 E43 P45 Q92 A93 V94 K98 A99 L100	P40-Y96 HydrophobicContact CB-CD1 4.09Å; P40-Y96 HydrophobicContact CB-CE1 4.29Å; P40-Y96 HydrophobicContact CG-CD1 3.67Å; P40-Y96 HydrophobicContact CG-CE1 4.22Å; P40-Y96 HydrophobicContact CG-CG 4.43Å; Y41-Y96 HydrophobicContact CD1-CD1 4.14Å; Y41-Y96 AromaticContact CD1-CD2 3.86Å; Y41-Y96 HydrophobicContact CD1-CD2 3.86Å; Y41-Y96 HydrophobicContact CD1-CE1 4.08Å; Y41-Y96 AromaticContact CD1-CE2 3.8Å; Y41-Y96 HydrophobicContact CD1-CE2 3.8Å; Y41-Y96 HydrophobicContact CD1-CG 4.02Å; Y41-Y96 AromaticContact CD1-CZ 3.91Å; Y41-Y96 HydrophobicContact CE1-CD1 4.41Å; Y41-Y96 HydrophobicContact CE1-CD2 4.01Å; Y41-Y96 HydrophobicContact CE1-CE2 4.41Å; Y41-Y96 HydrophobicContact CE1-CG 4Å; Y41-Y96 PolarHBondContact O-OH 3.4Å; E43-Y96 VanDerWaalsContact O-CE1 3.3Å; E43-Y96 WeakPolarHBondContact O-CE1 3.47Å; E43-Y96 PolarHBondContact O-OH 2.89Å; P45-Y96 HydrophobicContact CB-CD1 3.81Å; P45-Y96 HydrophobicContact CB-CD2 4.39Å; P45-Y96 HydrophobicContact CB-CE1 3.94Å; P45-Y96 HydrophobicContact CB-CG 4.07Å; P45-Y96 HydrophobicContact CG-CD2 4.45Å; P45-Y96 HydrophobicContact CG-CE1 4.36Å; P45-Y96 HydrophobicContact CG-CE2 4.26Å; Q92-Y96 HydrophobicContact CG-CD2 4.25Å; Q92-Y96 HydrophobicContact CG-CE2 4.23Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.09Å; Q92-Y96 PolarHBondContact O-N 3.28Å; Q92-Y96 VanDerWaalsContact O-N 3.11Å; A93-Y96 PolarHBondContact O-N 3.32Å; V94-Y96 VanDerWaalsContact C-N 3.3Å; V94-Y96 PolarHBondContact O-N 2.81Å; Y96-K98 VanDerWaalsContact C-N 3.32Å; Y96-K98 PolarHBondContact O-N 3.26Å; Y96-A99 PolarHBondContact O-N 3.45Å; Y96-L100 HydrophobicContact CD1-CD1 4.29Å; Y96-L100 VanDerWaalsContact O-CB 3.3Å; Y96-L100 WeakPolarHBondContact O-CB 3.43Å; Y96-L100 WeakPolarHBondContact O-CD1 3.09Å; Y96-L100 WeakPolarHBondContact O-CG 3.36Å; Y96-L100 PolarHBondContact O-N 2.52Å
97	A	98.6	Very high	98.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.5	-46.3	180	0	0	0	0	0	111.8	I62 A93 V94 L100 G101 C102 I105 L145	I62-A97 HydrophobicContact CD1-CB 4.16Å; A93-A97 WeakPolarHBondContact O-CB 3.33Å; A93-A97 PolarHBondContact O-N 3.41Å; V94-A97 PolarHBondContact O-N 2.85Å; A97-L100 PolarHBondContact O-N 2.87Å; A97-G101 CarbonylContact O-C 3.43Å; A97-G101 WeakPolarHBondContact O-CA 3.42Å; A97-G101 PolarHBondContact O-N 3.39Å; A97-C102 HydrophobicContact CB-CB 4.35Å; A97-C102 PolarHBondContact O-N 3.06Å; A97-I105 HydrophobicContact CB-CD1 3.8Å; A97-I105 HydrophobicContact CB-CG1 4.05Å; A97-L145 HydrophobicContact CB-CD1 3.95Å; A97-L145 HydrophobicContact CB-CD2 4.19Å
98	K	98.2	Very high	98.5	Very high	111 Å²	111	39.9 Å²	39.9	48%	0.483	20%	0.204	S	C	.	.	H	α-helix	trans	-60.7	-50.7	177.2	-70.6	177.5	68.7	161	0	112.7	V94 Y96 L100 G101 E143	V94-K98 HydrophobicContact CG1-CD 4.02Å; V94-K98 HydrophobicContact CG1-CG 4.41Å; V94-K98 WeakPolarHBondContact O-CG 3.32Å; V94-K98 PolarHBondContact O-N 3.45Å; Y96-K98 VanDerWaalsContact C-N 3.32Å; Y96-K98 PolarHBondContact O-N 3.26Å; K98-L100 PolarHBondContact O-N 3.11Å; K98-G101 PolarHBondContact O-N 3.23Å; K98-E143 HydrophobicContact CD-CG 4.23Å; K98-E143 WeakPolarHBondContact CD-OE2 3.4Å; K98-E143 WeakPolarHBondContact CE-OE2 3.34Å; K98-E143 IonicContact NZ-OE1 2.69Å; K98-E143 PolarHBondContact NZ-OE1 2.85Å; K98-E143 IonicContact NZ-OE2 3.22Å; K98-E143 PolarHBondContact NZ-OE2 3.35Å
99	A	97.6	Very high	98.5	Very high	24 Å²	24	33.3 Å²	33.3	20%	0.198	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-32.8	-179.7	0	0	0	0	0	112.7	P45 A49 R95 Y96	P45-A99 HydrophobicContact CB-CB 3.74Å; P45-A99 HydrophobicContact CG-CB 4.4Å; A49-A99 VanDerWaalsContact CB-O 3.3Å; A49-A99 WeakPolarHBondContact CB-O 3.17Å; R95-A99 PolarHBondContact O-N 3.33Å; Y96-A99 PolarHBondContact O-N 3.45Å
100	L	96.9	Very high	98.5	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.099	17%	0.168	C	C	.	.	H	α-helix	trans	-86.3	-11.6	179.9	-62.6	166.9	0	0	0	113.4	L48 A49 L59 Y96 A97 K98 C102	L48-L100 HydrophobicContact CB-CD2 3.86Å; L48-L100 HydrophobicContact CD2-CD1 4.14Å; L48-L100 HydrophobicContact CD2-CD2 3.88Å; L48-L100 HydrophobicContact CG-CD2 3.78Å; A49-L100 HydrophobicContact CB-CD2 4.01Å; L59-L100 HydrophobicContact CB-CB 4.36Å; L59-L100 HydrophobicContact CD2-CB 4.06Å; L59-L100 HydrophobicContact CD2-CD1 3.53Å; L59-L100 HydrophobicContact CD2-CD2 3.94Å; L59-L100 HydrophobicContact CD2-CG 4.01Å; Y96-L100 HydrophobicContact CD1-CD1 4.29Å; Y96-L100 VanDerWaalsContact O-CB 3.3Å; Y96-L100 WeakPolarHBondContact O-CB 3.43Å; Y96-L100 WeakPolarHBondContact O-CD1 3.09Å; Y96-L100 WeakPolarHBondContact O-CG 3.36Å; Y96-L100 PolarHBondContact O-N 2.52Å; A97-L100 PolarHBondContact O-N 2.87Å; K98-L100 PolarHBondContact O-N 3.11Å; L100-C102 HydrophobicContact CB-CB 4.19Å; L100-C102 PolarHBondContact O-N 3.33Å
101	G	97.6	Very high	98.4	Very high	61 Å²	61	36 Å²	36	63%	0.629	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	29.3	-167.1	0	0	0	0	0	112.8	A97 K98	A97-G101 CarbonylContact O-C 3.43Å; A97-G101 WeakPolarHBondContact O-CA 3.42Å; A97-G101 PolarHBondContact O-N 3.39Å; K98-G101 PolarHBondContact O-N 3.23Å
102	C	98.4	Very high	98.4	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.157	C	C	.	.			trans	-83.9	118.9	-179.7	-174.7	0	0	0	0	110	L59 V60 L61 A97 L100 R104 L145	L59-C102 HydrophobicContact CB-CB 4.09Å; L59-C102 WeakPolarHBondContact O-CA 3.48Å; V60-C102 VanDerWaalsContact C-SG 3.57Å; L61-C102 PolarHBondContact N-SG 2.73Å; A97-C102 HydrophobicContact CB-CB 4.35Å; A97-C102 PolarHBondContact O-N 3.06Å; L100-C102 HydrophobicContact CB-CB 4.19Å; L100-C102 PolarHBondContact O-N 3.33Å; C102-R104 VanDerWaalsContact C-N 3.35Å; C102-R104 PolarHBondContact O-N 3.17Å; C102-R104 PolarHBondContact SG-O 3.01Å; C102-R104 VanDerWaalsContact SG-O 3.38Å; C102-L145 VanDerWaalsContact O-CD2 3.23Å; C102-L145 WeakPolarHBondContact O-CD2 3.48Å
103	P	98.5	Very high	98	Very high	50 Å²	50	31.2 Å²	31.2	33%	0.325	16%	0.164	S	C	.	.			trans	-81.1	-12.1	-172	32.5	-37.1	0	0	0	114.1	L59 V146	L59-P103 WeakPolarHBondContact O-CD 3.42Å; P103-V146 PolarHBondContact O-N 3.39Å
104	R	98.8	Very high	97.4	Very high	38 Å²	38	39.7 Å²	39.7	14%	0.143	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.6	-169.9	-72.8	169.3	-68.1	-103.6	-6.9	112.6	V60 L61 I62 C102 V146 L148	V60-R104 PolarHBondContact O-NE 3.34Å; V60-R104 PolarHBondContact O-NH2 3.22Å; V60-R104 VanDerWaalsContact O-NH2 3.09Å; L61-R104 HydrophobicContact CD1-CB 4.02Å; I62-R104 PolarHBondContact N-O 3.07Å; C102-R104 VanDerWaalsContact C-N 3.35Å; C102-R104 PolarHBondContact O-N 3.17Å; C102-R104 PolarHBondContact SG-O 3.01Å; C102-R104 VanDerWaalsContact SG-O 3.38Å; R104-V146 VanDerWaalsContact CA-O 3.31Å; R104-V146 WeakPolarHBondContact CA-O 3.44Å; R104-V146 HydrophobicContact CG-CB 3.96Å; R104-V146 HydrophobicContact CG-CG1 4.23Å; R104-L148 HydrophobicContact CB-CD1 4.11Å; R104-L148 HydrophobicContact CB-CG 4.32Å; R104-L148 HydrophobicContact CG-CD1 4.36Å; R104-L148 HydrophobicContact CG-CG 4.43Å
105	I	98.9	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.7	173.5	-57.8	173.8	0	0	0	109.2	I62 T64 A93 V94 A97 L107 L140 L145 V146 G147 L148	I62-I105 HydrophobicContact CD1-CG1 4.43Å; I62-I105 HydrophobicContact CG1-CG1 4.07Å; I62-I105 CarbonylContact O-C 3.52Å; I62-I105 VanDerWaalsContact O-CA 3.23Å; I62-I105 WeakPolarHBondContact O-CA 3.41Å; T64-I105 HydrophobicContact CG2-CG2 3.88Å; A93-I105 HydrophobicContact CB-CD1 3.95Å; A93-I105 HydrophobicContact CB-CG2 3.95Å; V94-I105 HydrophobicContact CG2-CD1 4.06Å; A97-I105 HydrophobicContact CB-CD1 3.8Å; A97-I105 HydrophobicContact CB-CG1 4.05Å; I105-L107 HydrophobicContact CG2-CD2 4.17Å; I105-L107 PolarHBondContact O-N 2.93Å; I105-L140 HydrophobicContact CD1-CD2 3.85Å; I105-L145 HydrophobicContact CD1-CD1 4.09Å; I105-V146 PolarHBondContact N-O 3.17Å; I105-G147 CarbonylContact O-C 3.52Å; I105-G147 WeakPolarHBondContact O-CA 3.27Å; I105-L148 PolarHBondContact O-N 2.99Å
106	H	98.9	Very high	96.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118.9	166.8	169.9	-160	0	0	0	110	L61 I62 N63 T64 M108 L148 E150	L61-H106 HydrophobicContact CD1-CB 4.12Å; I62-H106 PolarHBondContact O-N 3.21Å; N63-H106 CarbonylContact C-O 3.59Å; N63-H106 WeakPolarHBondContact CA-O 3.3Å; N63-H106 HydrophobicContact CB-CB 4.4Å; N63-H106 WeakPolarHBondContact OD1-CB 3.25Å; T64-H106 PolarHBondContact N-O 3.05Å; T64-H106 PolarHBondContact OG1-O 3.47Å; H106-M108 PolarHBondContact O-N 3Å; H106-L148 HydrophobicContact CB-CB 4.42Å; H106-L148 PolarHBondContact CD2-O 2.76Å; H106-E150 WeakPolarHBondContact CE1-CB 3.09Å; H106-E150 IonicContact CE1-OE2 3.47Å; H106-E150 PolarHBondContact CE1-OE2 3.11Å; H106-E150 IonicContact ND1-OE2 3.41Å; H106-E150 PolarHBondContact ND1-OE2 3.19Å; H106-E150 WeakPolarHBondContact NE2-CB 3.22Å
107	L	98.9	Very high	96.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	25%	0.246	C	C	.	.			trans	-86.4	89.9	177.8	-55	178.2	0	0	0	109.9	T64 F86 L90 I105 A109 L133 A136 L140 L148 L181	T64-L107 HydrophobicContact CG2-CD2 3.7Å; F86-L107 HydrophobicContact CZ-CD2 4.36Å; L90-L107 HydrophobicContact CD1-CD2 3.85Å; I105-L107 HydrophobicContact CG2-CD2 4.17Å; I105-L107 PolarHBondContact O-N 2.93Å; L107-A109 PolarHBondContact O-N 2.96Å; L107-L133 HydrophobicContact CB-CD2 4.21Å; L107-L133 HydrophobicContact CD1-CD2 3.51Å; L107-A136 HydrophobicContact CD1-CB 3.75Å; L107-A136 HydrophobicContact CD2-CB 4.34Å; L107-L140 HydrophobicContact CD1-CD1 4.39Å; L107-L140 HydrophobicContact CD2-CD1 4.47Å; L107-L148 PolarHBondContact N-O 3.31Å; L107-L181 HydrophobicContact CD1-CD2 3.93Å
108	M	98.8	Very high	96.2	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.049	26%	0.258	C	S	.	.			trans	-63.9	122.9	-172.9	-61.2	-168.5	74.2	0	0	111.9	W39 N63 T64 M74 L76 G77 H106	W39-M108 HydrophobicContact CZ2-CE 3.89Å; W39-M108 HydrophobicContact CZ2-SD 3.65Å; W39-M108 PolarHBondContact NE1-SD 3.15Å; N63-M108 HydrophobicContact CB-CG 3.99Å; N63-M108 HydrophobicContact CB-SD 3.92Å; T64-M108 PolarHBondContact OG1-N 3.23Å; M74-M108 HydrophobicContact CG-CE 3.85Å; M74-M108 HydrophobicContact SD-CE 3.77Å; L76-M108 PolarHBondContact N-O 3.22Å; G77-M108 PolarHBondContact N-O 3.25Å; H106-M108 PolarHBondContact O-N 3Å
109	A	98.7	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-68.9	-41.5	-174.2	0	0	0	0	0	112.6	G77 A78 L107 F129 Y161 F162 L163	G77-A109 PolarHBondContact N-O 2.82Å; G77-A109 VanDerWaalsContact N-O 3.17Å; A78-A109 WeakPolarHBondContact CA-O 3.33Å; A78-A109 HydrophobicContact CB-CB 4.37Å; A78-A109 VanDerWaalsContact CB-O 3.29Å; A78-A109 WeakPolarHBondContact CB-O 3.31Å; A78-A109 PolarHBondContact N-O 3.41Å; L107-A109 PolarHBondContact O-N 2.96Å; A109-F129 HydrophobicContact CB-CE1 4.14Å; A109-F129 HydrophobicContact CB-CE2 4.22Å; A109-F129 HydrophobicContact CB-CZ 3.85Å; A109-Y161 HydrophobicContact CB-CE1 4.1Å; A109-Y161 PolarHBondContact N-OH 2.77Å; A109-F162 HydrophobicContact CB-CB 4.47Å; A109-F162 HydrophobicContact CB-CD1 4.19Å; A109-L163 HydrophobicContact CB-CB 3.92Å
110	G	98.3	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.29	C	S	.	.			trans	98.9	-179.7	-175.6	0	0	0	0	0	114	M74 G75 F162	M74-G110 VanDerWaalsContact O-CA 3.29Å; M74-G110 WeakPolarHBondContact O-CA 3.44Å; M74-G110 PolarHBondContact O-N 3.41Å; G75-G110 VanDerWaalsContact C-CA 3.5Å; G75-G110 WeakPolarHBondContact O-CA 3.35Å; G110-F162 WeakPolarHBondContact O-CB 3.32Å; G110-F162 PolarHBondContact O-N 2.82Å
111	R	98.1	Very high	95.9	Very high	66 Å²	66	47.8 Å²	47.8	25%	0.249	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-101.2	144.7	-173.2	-73.4	171.9	174.2	169.7	-2.8	112.1	G72 M74 M125 D158 Q160	G72-R111 VanDerWaalsContact O-CD 3.25Å; G72-R111 WeakPolarHBondContact O-CD 3.47Å; G72-R111 PolarHBondContact O-NH1 3.22Å; M74-R111 HydrophobicContact CB-CG 4.16Å; R111-M125 WeakPolarHBondContact O-CE 3.24Å; R111-D158 IonicContact CZ-OD2 3.2Å; R111-D158 IonicContact NE-OD1 3.01Å; R111-D158 PolarHBondContact NE-OD1 2.63Å; R111-D158 IonicContact NE-OD2 3.39Å; R111-D158 PolarHBondContact NE-OD2 3.45Å; R111-D158 IonicContact NH2-OD2 2.63Å; R111-D158 PolarHBondContact NH2-OD2 3.03Å; R111-Q160 CarbonylContact C-O 3.52Å; R111-Q160 WeakPolarHBondContact CA-O 3.17Å; R111-Q160 HydrophobicContact CB-CB 3.95Å; R111-Q160 HydrophobicContact CG-CB 3.95Å
112	V	96.8	Very high	95.8	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.048	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-56.9	127.2	158.9	174.6	0	0	0	0	108.1	A116 R118 V121 M125 Q160	V112-A116 HydrophobicContact CG1-CB 4.34Å; V112-R118 HydrophobicContact CG1-CB 4.43Å; V112-R118 HydrophobicContact CG2-CG 4.21Å; V112-V121 HydrophobicContact CG1-CG2 3.84Å; V112-M125 HydrophobicContact CB-SD 4.47Å; V112-M125 HydrophobicContact CG2-CE 4.49Å; V112-M125 HydrophobicContact CG2-SD 4Å; V112-Q160 WeakPolarHBondContact CB-O 3.29Å; V112-Q160 WeakPolarHBondContact CG2-O 3.42Å; V112-Q160 PolarHBondContact N-O 2.69Å; V112-Q160 PolarHBondContact O-NE2 3.4Å
113	P	91.2	Very high	95.8	Very high	63 Å²	63	52.8 Å²	52.8	41%	0.409	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-52.3	141.6	-179.8	-27.8	34.7	0	0	0	112.5	G115 A116	P113-G115 PolarHBondContact O-N 2.85Å; P113-A116 HydrophobicContact CB-CB 4.09Å; P113-A116 VanDerWaalsContact O-CB 3.31Å; P113-A116 WeakPolarHBondContact O-CB 3.45Å; P113-A116 PolarHBondContact O-N 2.83Å; P113-A116 VanDerWaalsContact O-N 3.08Å
114	Q	87.1	Confident	95.8	Very high	178 Å²	178	55.5 Å²	55.5	83%	0.832	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	131.1	-179.2	-170.7	178.2	5.2	0	0	111.1	A116 Q160	Q114-A116 PolarHBondContact O-N 3.07Å; Q114-Q160 VanDerWaalsContact CA-NE2 3.34Å
115	G	87.6	Confident	95.7	Very high	84 Å²	84	53.7 Å²	53.7	87%	0.866	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-3.7	-178.9	0	0	0	0	0	115	P113	P113-G115 PolarHBondContact O-N 2.85Å
116	A	92.5	Very high	95.7	Very high	36 Å²	36	55.5 Å²	55.5	30%	0.298	32%	0.319	S	S	.	.			trans	-76.9	145.3	171.7	0	0	0	0	0	111.1	V112 P113 Q114 R118 V121	V112-A116 HydrophobicContact CG1-CB 4.34Å; P113-A116 HydrophobicContact CB-CB 4.09Å; P113-A116 VanDerWaalsContact O-CB 3.31Å; P113-A116 WeakPolarHBondContact O-CB 3.45Å; P113-A116 PolarHBondContact O-N 2.83Å; P113-A116 VanDerWaalsContact O-N 3.08Å; Q114-A116 PolarHBondContact O-N 3.07Å; A116-R118 PolarHBondContact O-N 2.98Å; A116-V121 HydrophobicContact CB-CG1 3.86Å; A116-V121 HydrophobicContact CB-CG2 4.47Å
117	D	93.3	Very high	95.7	Very high	98 Å²	98	60.9 Å²	60.9	52%	0.524	35%	0.347	S	S	.	.			trans	-72.6	119.3	165.9	177.2	2.8	0	0	0	109	I119 A120 V121	D117-I119 PolarHBondContact O-N 2.89Å; D117-I119 PolarHBondContact OD1-N 3.46Å; D117-A120 HydrophobicContact CB-CB 3.92Å; D117-A120 WeakPolarHBondContact O-CB 3.37Å; D117-A120 PolarHBondContact O-N 2.93Å; D117-V121 PolarHBondContact O-N 2.78Å; D117-V121 VanDerWaalsContact O-N 3.15Å
118	R	94.3	Very high	95.7	Very high	65 Å²	65	61.2 Å²	61.2	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-51.4	-40	177.5	177.7	178.9	-73.2	-102.8	-6.9	111.3	V112 A116 K122 P159 Q160 Y161 D164	V112-R118 HydrophobicContact CG1-CB 4.43Å; V112-R118 HydrophobicContact CG2-CG 4.21Å; A116-R118 PolarHBondContact O-N 2.98Å; R118-K122 VanDerWaalsContact O-CB 3.28Å; R118-K122 WeakPolarHBondContact O-CB 3.41Å; R118-K122 PolarHBondContact O-N 3.36Å; R118-P159 PolarHBondContact NH2-O 3.32Å; R118-Q160 PolarHBondContact NH2-O 3.01Å; R118-Y161 VanDerWaalsContact CZ-O 3.23Å; R118-Y161 PolarHBondContact NH1-O 3.31Å; R118-Y161 PolarHBondContact NH2-O 3.47Å; R118-D164 IonicContact CZ-OD2 2.69Å; R118-D164 IonicContact NH1-OD2 3.4Å; R118-D164 PolarHBondContact NH1-OD2 3.31Å
119	I	94.6	Very high	95.7	Very high	140 Å²	140	60.8 Å²	60.8	72%	0.718	35%	0.347	S	S	*	.	H	α-helix	trans	-66.1	-43.3	-179.4	-62.9	176.3	0	0	0	110.3	D117 V121	D117-I119 PolarHBondContact O-N 2.89Å; D117-I119 PolarHBondContact OD1-N 3.46Å; I119-V121 PolarHBondContact O-N 3.42Å
120	A	95.6	Very high	95.7	Very high	76 Å²	76	61.7 Å²	61.7	63%	0.628	35%	0.352	S	S	*	.	H	α-helix	trans	-64.9	-38.5	-177.5	0	0	0	0	0	112.7	D117	D117-A120 HydrophobicContact CB-CB 3.92Å; D117-A120 WeakPolarHBondContact O-CB 3.37Å; D117-A120 PolarHBondContact O-N 2.93Å
121	V	96.6	Very high	95.8	Very high	26 Å²	26	65.2 Å²	65.2	16%	0.158	37%	0.368	C	S	.	.	H	α-helix	trans	-93.7	-12.5	-176.4	-56.9	0	0	0	0	114.1	V112 A116 D117 I119 A123 E124 M125	V112-V121 HydrophobicContact CG1-CG2 3.84Å; A116-V121 HydrophobicContact CB-CG1 3.86Å; A116-V121 HydrophobicContact CB-CG2 4.47Å; D117-V121 PolarHBondContact O-N 2.78Å; D117-V121 VanDerWaalsContact O-N 3.15Å; I119-V121 PolarHBondContact O-N 3.42Å; V121-A123 VanDerWaalsContact C-N 3.3Å; V121-A123 PolarHBondContact O-N 2.83Å; V121-E124 PolarHBondContact O-N 3.31Å; V121-M125 HydrophobicContact CB-CG 4.45Å; V121-M125 HydrophobicContact CB-SD 4.42Å; V121-M125 HydrophobicContact CG2-CG 4.42Å; V121-M125 HydrophobicContact CG2-SD 3.79Å; V121-M125 WeakPolarHBondContact O-CG 3.26Å; V121-M125 PolarHBondContact O-N 2.85Å
122	K	96.1	Very high	95.8	Very high	100 Å²	100	62.1 Å²	62.1	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-52.4	-45.9	-174	-178.9	174.9	-178.8	175.5	0	113	R118 E126 F162	R118-K122 VanDerWaalsContact O-CB 3.28Å; R118-K122 WeakPolarHBondContact O-CB 3.41Å; R118-K122 PolarHBondContact O-N 3.36Å; K122-E126 WeakPolarHBondContact O-CB 3.23Å; K122-E126 PolarHBondContact O-N 2.83Å; K122-F162 HydrophobicContact CG-CE2 4.33Å
123	A	97.9	Very high	95.9	Very high	67 Å²	67	61.7 Å²	61.7	55%	0.554	35%	0.354	S	S	*	.	H	α-helix	trans	-65.6	-43	-176.4	0	0	0	0	0	112.2	V121 E126 I127	V121-A123 VanDerWaalsContact C-N 3.3Å; V121-A123 PolarHBondContact O-N 2.83Å; A123-E126 PolarHBondContact O-N 2.82Å; A123-I127 VanDerWaalsContact O-CG1 3.29Å; A123-I127 WeakPolarHBondContact O-CG1 3.21Å; A123-I127 PolarHBondContact O-N 2.84Å
124	E	98.2	Very high	96.3	Very high	108 Å²	108	64.2 Å²	64.2	51%	0.505	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-46.4	178.1	-173.2	-176.4	-177.1	0	0	111.2	P80 V121 E126 I127 V128	P80-E124 HydrophobicContact CB-CG 4.26Å; P80-E124 WeakPolarHBondContact CB-OE1 3.37Å; P80-E124 HydrophobicContact CG-CG 3.8Å; V121-E124 PolarHBondContact O-N 3.31Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.02Å; E124-I127 WeakPolarHBondContact O-CB 3.38Å; E124-I127 PolarHBondContact O-N 3.16Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.47Å
125	M	98.6	Very high	96.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-39.7	177.3	-67.2	-173	74	0	0	112.1	A78 P80 R111 V112 V121 V128 F129 F162	A78-M125 HydrophobicContact CB-CB 4.39Å; A78-M125 HydrophobicContact CB-CE 4.19Å; A78-M125 VanDerWaalsContact O-CA 3.32Å; A78-M125 WeakPolarHBondContact O-CA 3.43Å; A78-M125 WeakPolarHBondContact O-CB 3.38Å; P80-M125 HydrophobicContact CG-CG 4.27Å; R111-M125 WeakPolarHBondContact O-CE 3.24Å; V112-M125 HydrophobicContact CB-SD 4.47Å; V112-M125 HydrophobicContact CG2-CE 4.49Å; V112-M125 HydrophobicContact CG2-SD 4Å; V121-M125 HydrophobicContact CB-CG 4.45Å; V121-M125 HydrophobicContact CB-SD 4.42Å; V121-M125 HydrophobicContact CG2-CG 4.42Å; V121-M125 HydrophobicContact CG2-SD 3.79Å; V121-M125 WeakPolarHBondContact O-CG 3.26Å; V121-M125 PolarHBondContact O-N 2.85Å; M125-V128 PolarHBondContact O-N 2.91Å; M125-F129 WeakPolarHBondContact O-CB 3.46Å; M125-F129 PolarHBondContact O-N 3Å; M125-F162 HydrophobicContact CB-CD2 3.69Å; M125-F162 HydrophobicContact CB-CE2 3.42Å; M125-F162 VanDerWaalsContact CB-CE2 3.42Å; M125-F162 HydrophobicContact CB-CG 4.4Å; M125-F162 HydrophobicContact CB-CZ 3.93Å; M125-F162 HydrophobicContact CE-CB 3.66Å; M125-F162 HydrophobicContact CE-CD2 3.71Å; M125-F162 HydrophobicContact CE-CG 3.79Å; M125-F162 HydrophobicContact CG-CD2 4.34Å; M125-F162 HydrophobicContact CG-CE2 4.44Å; M125-F162 HydrophobicContact SD-CD2 3.73Å; M125-F162 HydrophobicContact SD-CE2 4.34Å; M125-F162 HydrophobicContact SD-CG 4.42Å
126	E	98.7	Very high	97.4	Very high	38 Å²	38	54.6 Å²	54.6	18%	0.178	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175.8	-167.4	-176.8	113.9	0	0	111.7	K122 A123 E124 V128 F129 L130 F162 I172 K175	K122-E126 WeakPolarHBondContact O-CB 3.23Å; K122-E126 PolarHBondContact O-N 2.83Å; A123-E126 PolarHBondContact O-N 2.82Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.02Å; E126-V128 VanDerWaalsContact C-N 3.32Å; E126-V128 PolarHBondContact O-N 3.09Å; E126-F129 PolarHBondContact O-N 2.88Å; E126-L130 HydrophobicContact CG-CD1 4.24Å; E126-L130 HydrophobicContact CG-CG 4.39Å; E126-L130 WeakPolarHBondContact O-CB 3.38Å; E126-L130 VanDerWaalsContact O-CG 3.25Å; E126-L130 WeakPolarHBondContact O-CG 3.35Å; E126-L130 PolarHBondContact O-N 3.07Å; E126-F162 HydrophobicContact CB-CZ 4.03Å; E126-I172 HydrophobicContact CG-CG1 4.48Å; E126-K175 IonicContact OE1-NZ 2.84Å; E126-K175 PolarHBondContact OE1-NZ 2.73Å; E126-K175 IonicContact OE2-NZ 2.76Å
127	I	98.7	Very high	97.7	Very high	115 Å²	115	52.9 Å²	52.9	59%	0.59	27%	0.274	S	S	*	.	H	α-helix	trans	-57.4	-48.4	175.9	-71.8	163.6	0	0	0	110.4	A123 E124 F129 L130 E131	A123-I127 VanDerWaalsContact O-CG1 3.29Å; A123-I127 WeakPolarHBondContact O-CG1 3.21Å; A123-I127 PolarHBondContact O-N 2.84Å; E124-I127 WeakPolarHBondContact O-CB 3.38Å; E124-I127 PolarHBondContact O-N 3.16Å; I127-F129 VanDerWaalsContact C-N 3.34Å; I127-F129 PolarHBondContact O-N 3.28Å; I127-L130 PolarHBondContact O-N 3.19Å; I127-E131 PolarHBondContact O-N 3.49Å
128	V	98.8	Very high	97.9	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-42.8	178.8	173.3	0	0	0	0	111	P80 Q83 E124 M125 E126 E131 N132	P80-V128 HydrophobicContact CB-CG2 4.19Å; P80-V128 HydrophobicContact CG-CG2 4.17Å; Q83-V128 HydrophobicContact CG-CG1 4.01Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.47Å; M125-V128 PolarHBondContact O-N 2.91Å; E126-V128 VanDerWaalsContact C-N 3.32Å; E126-V128 PolarHBondContact O-N 3.09Å; V128-E131 WeakPolarHBondContact O-CB 3.39Å; V128-E131 PolarHBondContact O-N 3.09Å; V128-N132 WeakPolarHBondContact O-CB 3.34Å; V128-N132 PolarHBondContact O-N 3.26Å
129	F	98.9	Very high	98.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-43.8	179.6	-161.5	-152.6	0	0	0	111.8	G77 A78 A109 M125 E126 I127 E131 N132 L133 L149 F162 L163 I172	G77-F129 WeakPolarHBondContact O-CA 3.12Å; A78-F129 HydrophobicContact CB-CB 3.67Å; A78-F129 HydrophobicContact CB-CD1 4.45Å; A78-F129 HydrophobicContact CB-CD2 4.2Å; A78-F129 HydrophobicContact CB-CG 3.89Å; A109-F129 HydrophobicContact CB-CE1 4.14Å; A109-F129 HydrophobicContact CB-CE2 4.22Å; A109-F129 HydrophobicContact CB-CZ 3.85Å; M125-F129 WeakPolarHBondContact O-CB 3.46Å; M125-F129 PolarHBondContact O-N 3Å; E126-F129 PolarHBondContact O-N 2.88Å; I127-F129 VanDerWaalsContact C-N 3.34Å; I127-F129 PolarHBondContact O-N 3.28Å; F129-E131 VanDerWaalsContact C-N 3.3Å; F129-E131 PolarHBondContact O-N 3.01Å; F129-N132 PolarHBondContact O-N 3.34Å; F129-L133 HydrophobicContact CD1-CD1 3.87Å; F129-L133 HydrophobicContact CD2-CD1 3.88Å; F129-L133 HydrophobicContact CD2-CD2 4.15Å; F129-L133 HydrophobicContact CD2-CG 3.71Å; F129-L133 HydrophobicContact CE1-CD1 3.84Å; F129-L133 HydrophobicContact CE2-CD1 3.85Å; F129-L133 HydrophobicContact CE2-CD2 3.62Å; F129-L133 HydrophobicContact CE2-CG 3.68Å; F129-L133 HydrophobicContact CG-CD1 3.9Å; F129-L133 HydrophobicContact CG-CG 4.19Å; F129-L133 HydrophobicContact CZ-CD1 3.84Å; F129-L133 HydrophobicContact CZ-CD2 4Å; F129-L133 HydrophobicContact CZ-CG 4.15Å; F129-L133 VanDerWaalsContact O-CB 3.27Å; F129-L133 WeakPolarHBondContact O-CB 3.43Å; F129-L133 WeakPolarHBondContact O-CG 3.27Å; F129-L133 PolarHBondContact O-N 3.02Å; F129-L149 HydrophobicContact CE1-CD2 3.91Å; F129-L149 HydrophobicContact CE1-CG 4.29Å; F129-L149 HydrophobicContact CZ-CD2 4.05Å; F129-L149 HydrophobicContact CZ-CG 3.95Å; F129-F162 HydrophobicContact CB-CE1 4.42Å; F129-F162 HydrophobicContact CD1-CD1 4.38Å; F129-F162 AromaticContact CD1-CE1 3.94Å; F129-F162 HydrophobicContact CD1-CE1 3.94Å; F129-L163 HydrophobicContact CE1-CD1 4.48Å; F129-L163 HydrophobicContact CE1-CD2 4.22Å; F129-I172 HydrophobicContact CD1-CD1 3.94Å; F129-I172 HydrophobicContact CD1-CG2 4.14Å; F129-I172 HydrophobicContact CE1-CD1 4.17Å; F129-I172 HydrophobicContact CE1-CG2 4.26Å
130	L	98.9	Very high	98.4	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-38.8	175.8	-68.6	173.1	0	0	0	112.2	E126 I127 R134 I172 K175 V176	E126-L130 HydrophobicContact CG-CD1 4.24Å; E126-L130 HydrophobicContact CG-CG 4.39Å; E126-L130 WeakPolarHBondContact O-CB 3.38Å; E126-L130 VanDerWaalsContact O-CG 3.25Å; E126-L130 WeakPolarHBondContact O-CG 3.35Å; E126-L130 PolarHBondContact O-N 3.07Å; I127-L130 PolarHBondContact O-N 3.19Å; L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 VanDerWaalsContact O-CG 3.25Å; L130-R134 WeakPolarHBondContact O-CG 3.34Å; L130-R134 PolarHBondContact O-N 2.88Å; L130-R134 VanDerWaalsContact O-N 3.09Å; L130-I172 HydrophobicContact CD2-CG2 4.06Å; L130-K175 HydrophobicContact CD1-CB 4.41Å; L130-K175 HydrophobicContact CD1-CD 4.24Å; L130-K175 HydrophobicContact CD2-CB 3.7Å; L130-K175 HydrophobicContact CD2-CD 4.47Å; L130-V176 HydrophobicContact CD2-CG2 3.51Å
131	E	98.8	Very high	98.5	Very high	75 Å²	75	40.6 Å²	40.6	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-53.2	174.4	-171.5	-162.1	149.1	0	0	111.1	R87 I127 V128 F129 L133 R134 H135	R87-E131 IonicContact NH2-OE1 2.78Å; R87-E131 PolarHBondContact NH2-OE1 3.48Å; I127-E131 PolarHBondContact O-N 3.49Å; V128-E131 WeakPolarHBondContact O-CB 3.39Å; V128-E131 PolarHBondContact O-N 3.09Å; F129-E131 VanDerWaalsContact C-N 3.3Å; F129-E131 PolarHBondContact O-N 3.01Å; E131-L133 PolarHBondContact O-N 3.06Å; E131-R134 PolarHBondContact O-N 3Å; E131-H135 PolarHBondContact O-N 3.31Å; E131-H135 VanDerWaalsContact O-N 3.08Å
132	N	98.9	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-38.7	-177.9	-83.9	-24.3	0	0	0	112.6	G77 F86 V128 F129 H135 A136	G77-N132 WeakPolarHBondContact O-CB 3.29Å; G77-N132 PolarHBondContact O-ND2 3.25Å; F86-N132 HydrophobicContact CD1-CB 3.59Å; F86-N132 WeakPolarHBondContact CD1-OD1 3.4Å; F86-N132 HydrophobicContact CE1-CB 3.53Å; F86-N132 HydrophobicContact CG-CB 4.32Å; F86-N132 HydrophobicContact CZ-CB 4.19Å; V128-N132 WeakPolarHBondContact O-CB 3.34Å; V128-N132 PolarHBondContact O-N 3.26Å; F129-N132 PolarHBondContact O-N 3.34Å; N132-H135 PolarHBondContact O-N 3.35Å; N132-A136 VanDerWaalsContact O-CB 3.32Å; N132-A136 WeakPolarHBondContact O-CB 3.46Å; N132-A136 PolarHBondContact O-N 3.35Å
133	L	98.9	Very high	98.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-38.7	176	-70.8	176	0	0	0	112.3	L107 F129 E131 H135 A136 A137 L149 I172 V176 L181	L107-L133 HydrophobicContact CB-CD2 4.21Å; L107-L133 HydrophobicContact CD1-CD2 3.51Å; F129-L133 HydrophobicContact CD1-CD1 3.87Å; F129-L133 HydrophobicContact CD2-CD1 3.88Å; F129-L133 HydrophobicContact CD2-CD2 4.15Å; F129-L133 HydrophobicContact CD2-CG 3.71Å; F129-L133 HydrophobicContact CE1-CD1 3.84Å; F129-L133 HydrophobicContact CE2-CD1 3.85Å; F129-L133 HydrophobicContact CE2-CD2 3.62Å; F129-L133 HydrophobicContact CE2-CG 3.68Å; F129-L133 HydrophobicContact CG-CD1 3.9Å; F129-L133 HydrophobicContact CG-CG 4.19Å; F129-L133 HydrophobicContact CZ-CD1 3.84Å; F129-L133 HydrophobicContact CZ-CD2 4Å; F129-L133 HydrophobicContact CZ-CG 4.15Å; F129-L133 VanDerWaalsContact O-CB 3.27Å; F129-L133 WeakPolarHBondContact O-CB 3.43Å; F129-L133 WeakPolarHBondContact O-CG 3.27Å; F129-L133 PolarHBondContact O-N 3.02Å; E131-L133 PolarHBondContact O-N 3.06Å; L133-H135 VanDerWaalsContact C-N 3.33Å; L133-A136 PolarHBondContact O-N 3.49Å; L133-A137 VanDerWaalsContact O-CB 3.32Å; L133-A137 WeakPolarHBondContact O-CB 3.42Å; L133-A137 PolarHBondContact O-N 2.87Å; L133-L149 HydrophobicContact CD1-CD1 4.33Å; L133-L149 HydrophobicContact CD1-CD2 3.84Å; L133-L149 HydrophobicContact CD1-CG 4.45Å; L133-L149 HydrophobicContact CD2-CD1 3.72Å; L133-L149 HydrophobicContact CD2-CG 4.4Å; L133-I172 HydrophobicContact CD1-CG2 3.4Å; L133-I172 VanDerWaalsContact CD1-CG2 3.4Å; L133-V176 HydrophobicContact CB-CG1 4.34Å; L133-V176 HydrophobicContact CB-CG2 3.81Å; L133-V176 HydrophobicContact CD1-CG2 3.93Å; L133-L181 HydrophobicContact CB-CD1 3.97Å; L133-L181 HydrophobicContact CD2-CD1 4.33Å
134	R	98.9	Very high	98.7	Very high	116 Å²	116	49.7 Å²	49.7	44%	0.438	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-40.6	174.4	-76.9	176.1	-173.1	127.9	3.3	111.7	L130 E131 G138 K175 V176	L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 VanDerWaalsContact O-CG 3.25Å; L130-R134 WeakPolarHBondContact O-CG 3.34Å; L130-R134 PolarHBondContact O-N 2.88Å; L130-R134 VanDerWaalsContact O-N 3.09Å; E131-R134 PolarHBondContact O-N 3Å; R134-G138 PolarHBondContact O-N 3.47Å; R134-K175 PolarHBondContact NH2-O 3.43Å; R134-K175 VanDerWaalsContact NH2-O 3.17Å; R134-V176 HydrophobicContact CG-CG1 3.94Å
135	H	98.9	Very high	98.7	Very high	59 Å²	59	45.1 Å²	45.1	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-63.5	-49.7	173.3	176.1	76.8	0	0	0	111	E131 N132 L133 A137 G138 V139	E131-H135 PolarHBondContact O-N 3.31Å; E131-H135 VanDerWaalsContact O-N 3.08Å; N132-H135 PolarHBondContact O-N 3.35Å; L133-H135 VanDerWaalsContact C-N 3.33Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 3.46Å; H135-G138 PolarHBondContact O-N 2.92Å; H135-G138 VanDerWaalsContact O-N 3.08Å; H135-V139 PolarHBondContact O-N 3.39Å
136	A	98.9	Very high	98.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-43.3	179.6	0	0	0	0	0	112.3	F86 L90 L107 N132 L133 G138 V139 L140	F86-A136 HydrophobicContact CE1-CB 4.34Å; F86-A136 HydrophobicContact CZ-CB 4.29Å; L90-A136 HydrophobicContact CD1-CB 4.29Å; L90-A136 HydrophobicContact CD2-CB 3.71Å; L107-A136 HydrophobicContact CD1-CB 3.75Å; L107-A136 HydrophobicContact CD2-CB 4.34Å; N132-A136 VanDerWaalsContact O-CB 3.32Å; N132-A136 WeakPolarHBondContact O-CB 3.46Å; N132-A136 PolarHBondContact O-N 3.35Å; L133-A136 PolarHBondContact O-N 3.49Å; A136-G138 PolarHBondContact O-N 2.91Å; A136-V139 PolarHBondContact O-N 3.02Å; A136-L140 HydrophobicContact CB-CD1 4.49Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CG 3.39Å; A136-L140 PolarHBondContact O-N 2.92Å
137	A	98.9	Very high	98.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-36.9	176.6	0	0	0	0	0	112.9	L133 H135 A141 R178 N180 L181	L133-A137 VanDerWaalsContact O-CB 3.32Å; L133-A137 WeakPolarHBondContact O-CB 3.42Å; L133-A137 PolarHBondContact O-N 2.87Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 3.46Å; A137-A141 VanDerWaalsContact O-CB 3.23Å; A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.07Å; A137-A141 VanDerWaalsContact O-N 3.1Å; A137-R178 HydrophobicContact CB-CB 3.73Å; A137-R178 HydrophobicContact CB-CG 3.53Å; A137-N180 PolarHBondContact O-ND2 3.21Å; A137-L181 HydrophobicContact CB-CD1 4.07Å; A137-L181 HydrophobicContact CB-CD2 4.27Å; A137-L181 HydrophobicContact CB-CG 4.01Å
138	G	98.8	Very high	98.7	Very high	34 Å²	34	39.4 Å²	39.4	35%	0.351	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-53.4	175	0	0	0	0	0	111.8	R134 H135 A136 L140 A141 E142	R134-G138 PolarHBondContact O-N 3.47Å; H135-G138 PolarHBondContact O-N 2.92Å; H135-G138 VanDerWaalsContact O-N 3.08Å; A136-G138 PolarHBondContact O-N 2.91Å; G138-L140 VanDerWaalsContact C-N 3.34Å; G138-L140 PolarHBondContact O-N 3.19Å; G138-A141 PolarHBondContact O-N 3.36Å; G138-E142 PolarHBondContact O-N 3.19Å
139	V	98.8	Very high	98.7	Very high	32 Å²	32	39 Å²	39	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-43.7	179.8	177	0	0	0	0	111.8	L90 V94 H135 A136 E142	L90-V139 HydrophobicContact CD2-CB 4.1Å; L90-V139 HydrophobicContact CD2-CG1 4.28Å; L90-V139 HydrophobicContact CD2-CG2 4.22Å; V94-V139 HydrophobicContact CG2-CG1 4.05Å; H135-V139 PolarHBondContact O-N 3.39Å; A136-V139 PolarHBondContact O-N 3.02Å; V139-E142 PolarHBondContact O-N 2.82Å
140	L	98.9	Very high	98.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-34	-179	-64.9	173.8	0	0	0	112.2	L90 V94 I105 L107 A136 G138 E142 E143 D144 L145 L181	L90-L140 HydrophobicContact CD1-CD2 4.22Å; L90-L140 HydrophobicContact CD1-CG 4.49Å; V94-L140 HydrophobicContact CG2-CD2 3.82Å; I105-L140 HydrophobicContact CD1-CD2 3.85Å; L107-L140 HydrophobicContact CD1-CD1 4.39Å; L107-L140 HydrophobicContact CD2-CD1 4.47Å; A136-L140 HydrophobicContact CB-CD1 4.49Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CG 3.39Å; A136-L140 PolarHBondContact O-N 2.92Å; G138-L140 VanDerWaalsContact C-N 3.34Å; G138-L140 PolarHBondContact O-N 3.19Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.35Å; L140-E143 CarbonylContact O-C 3.47Å; L140-E143 PolarHBondContact O-N 3.05Å; L140-D144 PolarHBondContact O-N 3.36Å; L140-L145 HydrophobicContact CB-CB 4.06Å; L140-L145 HydrophobicContact CD2-CB 3.74Å; L140-L145 HydrophobicContact CD2-CD1 3.96Å; L140-L145 HydrophobicContact CG-CB 4.47Å; L140-L145 PolarHBondContact O-N 3.11Å; L140-L181 HydrophobicContact CD1-CD2 4.35Å
141	A	98.5	Very high	98.7	Very high	55 Å²	55	38.6 Å²	38.6	46%	0.455	20%	0.204	S	C	.	.	H	α-helix	trans	-68	-31.7	178.1	0	0	0	0	0	112.8	A137 G138 E143 N180	A137-A141 VanDerWaalsContact O-CB 3.23Å; A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.07Å; A137-A141 VanDerWaalsContact O-N 3.1Å; G138-A141 PolarHBondContact O-N 3.36Å; A141-E143 PolarHBondContact O-N 2.73Å; A141-N180 PolarHBondContact N-ND2 3.32Å
142	E	98.2	Very high	98.7	Very high	159 Å²	159	35.8 Å²	35.8	74%	0.743	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.3	175.1	-69.6	175.7	-174.2	0	0	112.9	G138 V139 L140	G138-E142 PolarHBondContact O-N 3.19Å; V139-E142 PolarHBondContact O-N 2.82Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.35Å
143	E	98	Very high	98.7	Very high	70 Å²	70	35.8 Å²	35.8	33%	0.327	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	11.4	-172.5	-59	-69.6	-168.3	0	0	112.7	V94 K98 L140 A141 L145	V94-E143 HydrophobicContact CG1-CG 4Å; K98-E143 HydrophobicContact CD-CG 4.23Å; K98-E143 WeakPolarHBondContact CD-OE2 3.4Å; K98-E143 WeakPolarHBondContact CE-OE2 3.34Å; K98-E143 IonicContact NZ-OE1 2.69Å; K98-E143 PolarHBondContact NZ-OE1 2.85Å; K98-E143 IonicContact NZ-OE2 3.22Å; K98-E143 PolarHBondContact NZ-OE2 3.35Å; L140-E143 CarbonylContact O-C 3.47Å; L140-E143 PolarHBondContact O-N 3.05Å; A141-E143 PolarHBondContact O-N 2.73Å; E143-L145 HydrophobicContact CB-CD1 4.01Å; E143-L145 HydrophobicContact CB-CG 4.02Å; E143-L145 PolarHBondContact O-N 3.39Å
144	D	98	Very high	98.6	Very high	155 Å²	155	37.3 Å²	37.3	83%	0.829	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	33.7	-176.2	-63.9	-50.8	0	0	0	113.9	L140	L140-D144 PolarHBondContact O-N 3.36Å
145	L	98.8	Very high	98.5	Very high	11 Å²	11	39.1 Å²	39.1	6%	0.058	21%	0.207	C	C	.	.			trans	-100	152.4	179.4	-63.5	176	0	0	0	112.2	V94 A97 C102 I105 L140 E143	V94-L145 HydrophobicContact CB-CD1 4.46Å; V94-L145 HydrophobicContact CG1-CD1 4.15Å; V94-L145 HydrophobicContact CG2-CD1 4.17Å; A97-L145 HydrophobicContact CB-CD1 3.95Å; A97-L145 HydrophobicContact CB-CD2 4.19Å; C102-L145 VanDerWaalsContact O-CD2 3.23Å; C102-L145 WeakPolarHBondContact O-CD2 3.48Å; I105-L145 HydrophobicContact CD1-CD1 4.09Å; L140-L145 HydrophobicContact CB-CB 4.06Å; L140-L145 HydrophobicContact CD2-CB 3.74Å; L140-L145 HydrophobicContact CD2-CD1 3.96Å; L140-L145 HydrophobicContact CG-CB 4.47Å; L140-L145 PolarHBondContact O-N 3.11Å; E143-L145 HydrophobicContact CB-CD1 4.01Å; E143-L145 HydrophobicContact CB-CG 4.02Å; E143-L145 PolarHBondContact O-N 3.39Å
146	V	98.9	Very high	98.4	Very high	33 Å²	33	41 Å²	41	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.9	174.9	173.2	0	0	0	0	110.4	P103 R104 I105 L148 N180 Q182	P103-V146 PolarHBondContact O-N 3.39Å; R104-V146 VanDerWaalsContact CA-O 3.31Å; R104-V146 WeakPolarHBondContact CA-O 3.44Å; R104-V146 HydrophobicContact CG-CB 3.96Å; R104-V146 HydrophobicContact CG-CG1 4.23Å; I105-V146 PolarHBondContact N-O 3.17Å; V146-L148 HydrophobicContact CG1-CD2 3.91Å; V146-N180 WeakPolarHBondContact CA-O 3.32Å; V146-Q182 HydrophobicContact CG1-CB 4.23Å; V146-Q182 HydrophobicContact CG1-CG 4.07Å
147	G	98.9	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.6	170.6	0	0	0	0	0	110.7	I105 N180 L181 Q182	I105-G147 CarbonylContact O-C 3.52Å; I105-G147 WeakPolarHBondContact O-CA 3.27Å; G147-N180 PolarHBondContact N-O 2.86Å; G147-L181 CarbonylContact O-C 3.57Å; G147-L181 VanDerWaalsContact O-CA 3.3Å; G147-L181 WeakPolarHBondContact O-CA 3.39Å; G147-Q182 PolarHBondContact O-N 2.91Å
148	L	98.9	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.8	176.6	-57.5	-178	0	0	0	111.8	L61 R104 I105 H106 L107 V146 Q182 Q184 H210	L61-L148 HydrophobicContact CD1-CD1 3.61Å; L61-L148 HydrophobicContact CD2-CD1 4.44Å; R104-L148 HydrophobicContact CB-CD1 4.11Å; R104-L148 HydrophobicContact CB-CG 4.32Å; R104-L148 HydrophobicContact CG-CD1 4.36Å; R104-L148 HydrophobicContact CG-CG 4.43Å; I105-L148 PolarHBondContact O-N 2.99Å; H106-L148 HydrophobicContact CB-CB 4.42Å; H106-L148 PolarHBondContact CD2-O 2.76Å; L107-L148 PolarHBondContact N-O 3.31Å; V146-L148 HydrophobicContact CG1-CD2 3.91Å; L148-Q182 CarbonylContact C-O 3.58Å; L148-Q182 WeakPolarHBondContact CA-O 3.48Å; L148-Q182 HydrophobicContact CD2-CB 3.91Å; L148-Q184 HydrophobicContact CB-CB 4.1Å; L148-Q184 HydrophobicContact CD1-CB 4.2Å; L148-Q184 HydrophobicContact CD1-CG 4.41Å; L148-Q184 VanDerWaalsContact CD1-OE1 3.23Å; L148-H210 HydrophobicContact CD1-CB 3.58Å
149	L	98.9	Very high	98	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.6	170.1	-84.3	66.6	0	0	0	108.8	F129 L133 L163 I172 L173 Q182 Q184	F129-L149 HydrophobicContact CE1-CD2 3.91Å; F129-L149 HydrophobicContact CE1-CG 4.29Å; F129-L149 HydrophobicContact CZ-CD2 4.05Å; F129-L149 HydrophobicContact CZ-CG 3.95Å; L133-L149 HydrophobicContact CD1-CD1 4.33Å; L133-L149 HydrophobicContact CD1-CD2 3.84Å; L133-L149 HydrophobicContact CD1-CG 4.45Å; L133-L149 HydrophobicContact CD2-CD1 3.72Å; L133-L149 HydrophobicContact CD2-CG 4.4Å; L149-L163 HydrophobicContact CB-CD2 3.93Å; L149-L163 HydrophobicContact CD2-CD2 4.39Å; L149-L163 HydrophobicContact CG-CD2 4.31Å; L149-I172 HydrophobicContact CD2-CB 4.37Å; L149-I172 HydrophobicContact CD2-CG2 3.74Å; L149-L173 HydrophobicContact CD1-CD2 4.05Å; L149-L173 HydrophobicContact CD2-CD2 4.06Å; L149-L173 HydrophobicContact CD2-CG 4.18Å; L149-Q182 PolarHBondContact N-O 2.75Å; L149-Q184 PolarHBondContact O-N 2.82Å
150	E	98.9	Very high	97.9	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.037	25%	0.252	C	S	.	.			trans	-110.9	116.5	179.3	-166.2	-169.9	170.8	0	0	110.8	H106 I152 Q184 H189 Q212	H106-E150 WeakPolarHBondContact CE1-CB 3.09Å; H106-E150 IonicContact CE1-OE2 3.47Å; H106-E150 PolarHBondContact CE1-OE2 3.11Å; H106-E150 IonicContact ND1-OE2 3.41Å; H106-E150 PolarHBondContact ND1-OE2 3.19Å; H106-E150 WeakPolarHBondContact NE2-CB 3.22Å; E150-I152 HydrophobicContact CB-CD1 4.38Å; E150-I152 VanDerWaalsContact CD-CD1 3.4Å; E150-I152 HydrophobicContact CG-CD1 3.83Å; E150-I152 PolarHBondContact O-N 3.33Å; E150-I152 WeakPolarHBondContact OE1-CD1 3.48Å; E150-Q184 HydrophobicContact CB-CB 3.94Å; E150-Q184 HydrophobicContact CB-CG 4.19Å; E150-Q184 HydrophobicContact CG-CB 4.13Å; E150-Q184 HydrophobicContact CG-CG 3.94Å; E150-Q184 PolarHBondContact OE2-NE2 3.06Å; E150-H189 IonicContact OE1-CD2 2.78Å; E150-H189 PolarHBondContact OE1-CD2 3.08Å; E150-H189 IonicContact OE1-NE2 3.17Å; E150-Q212 PolarHBondContact OE1-OE1 2.83Å
151	P	98.4	Very high	97.8	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.013	25%	0.252	C	S	.	.			trans	-69.7	125.2	167.1	-14	27.7	0	0	0	111.3	L163 A169 L183 Q184 H189	P151-L163 CarbonylContact C-O 3.54Å; P151-L163 VanDerWaalsContact CA-O 3.24Å; P151-L163 WeakPolarHBondContact CA-O 3.27Å; P151-A169 HydrophobicContact CG-CB 3.84Å; P151-L183 HydrophobicContact CG-CD1 4.06Å; P151-Q184 WeakPolarHBondContact CD-O 3.48Å; P151-H189 VanDerWaalsContact O-CB 3.31Å; P151-H189 WeakPolarHBondContact O-CB 3.35Å
152	I	98.6	Very high	97.8	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.082	23%	0.231	C	C	.	.			trans	-107.1	133.2	178.9	-53.4	-62.1	0	0	0	109.8	E150 T154 T157 D158 Y161 L163 D164 H189	E150-I152 HydrophobicContact CB-CD1 4.38Å; E150-I152 VanDerWaalsContact CD-CD1 3.4Å; E150-I152 HydrophobicContact CG-CD1 3.83Å; E150-I152 PolarHBondContact O-N 3.33Å; E150-I152 WeakPolarHBondContact OE1-CD1 3.48Å; I152-T154 PolarHBondContact O-N 3.04Å; I152-T157 HydrophobicContact CG2-CG2 3.57Å; I152-D158 HydrophobicContact CG2-CB 4.27Å; I152-Y161 HydrophobicContact CB-CD1 3.46Å; I152-Y161 VanDerWaalsContact CB-CD1 3.46Å; I152-Y161 HydrophobicContact CB-CD2 4.45Å; I152-Y161 HydrophobicContact CB-CE1 3.87Å; I152-Y161 HydrophobicContact CB-CG 3.78Å; I152-Y161 HydrophobicContact CG1-CD1 3.55Å; I152-Y161 HydrophobicContact CG1-CD2 4.34Å; I152-Y161 HydrophobicContact CG1-CE1 3.37Å; I152-Y161 HydrophobicContact CG1-CE2 4.19Å; I152-Y161 HydrophobicContact CG1-CG 4.03Å; I152-Y161 HydrophobicContact CG2-CG 4.37Å; I152-L163 PolarHBondContact N-O 2.75Å; I152-D164 WeakPolarHBondContact O-CA 3.25Å; I152-H189 WeakPolarHBondContact CD1-NE2 3.22Å
153	N	98.2	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.			trans	-65.7	137.8	-179.1	80.4	69.5	0	0	0	112.4	R155 I156 T157 D158 H189 I192 M193	N153-R155 PolarHBondContact OD1-N 3.46Å; N153-I156 WeakPolarHBondContact OD1-CG1 3.38Å; N153-I156 PolarHBondContact OD1-N 3.27Å; N153-T157 PolarHBondContact ND2-OG1 3.13Å; N153-T157 PolarHBondContact OD1-N 2.91Å; N153-T157 PolarHBondContact OD1-OG1 3.06Å; N153-D158 PolarHBondContact O-N 2.92Å; N153-H189 HydrophobicContact CB-CB 4.39Å; N153-H189 PolarHBondContact N-ND1 2.99Å; N153-H189 PolarHBondContact ND2-ND1 3.48Å; N153-I192 HydrophobicContact CB-CB 4.06Å; N153-I192 HydrophobicContact CB-CG2 3.74Å; N153-I192 WeakPolarHBondContact ND2-CD1 3.49Å; N153-M193 HydrophobicContact CB-CG 3.44Å; N153-M193 VanDerWaalsContact CB-CG 3.44Å; N153-M193 HydrophobicContact CB-SD 3.78Å
154	T	96.8	Very high	97.8	Very high	32 Å²	32	36.1 Å²	36.1	20%	0.196	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.2	178.4	53.4	0	0	0	0	113.3	I152 D158 P159 D164 M193	I152-T154 PolarHBondContact O-N 3.04Å; T154-D158 WeakPolarHBondContact CA-O 3.28Å; T154-P159 VanDerWaalsContact O-CA 3.27Å; T154-P159 WeakPolarHBondContact O-CA 3.43Å; T154-D164 HydrophobicContact CG2-CB 3.58Å; T154-M193 PolarHBondContact N-SD 3.07Å; T154-M193 WeakPolarHBondContact OG1-CE 3.48Å
155	R	96.9	Very high	97.7	Very high	155 Å²	155	30 Å²	30	59%	0.585	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-41.8	-177.8	-68	-177.9	171.3	122.9	12.1	112.4	N153 I192 M193	N153-R155 PolarHBondContact OD1-N 3.46Å; R155-I192 HydrophobicContact CB-CG2 3.75Å; R155-I192 WeakPolarHBondContact CD-O 3.25Å; R155-I192 HydrophobicContact CG-CG2 4.26Å; R155-I192 PolarHBondContact NH1-O 3.22Å; R155-M193 HydrophobicContact CG-SD 4.01Å; R155-M193 VanDerWaalsContact NH1-C 3.26Å; R155-M193 PolarHBondContact NH1-O 3.14Å
156	I	96.4	Very high	97.5	Very high	98 Å²	98	29.5 Å²	29.5	50%	0.503	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-27.9	-175.9	67.1	173.4	0	0	0	114.4	N153 F188 I192	N153-I156 WeakPolarHBondContact OD1-CG1 3.38Å; N153-I156 PolarHBondContact OD1-N 3.27Å; I156-F188 HydrophobicContact CD1-CE1 4.46Å; I156-F188 HydrophobicContact CD1-CE2 4.44Å; I156-F188 HydrophobicContact CD1-CZ 3.72Å; I156-F188 HydrophobicContact CG1-CZ 4.41Å; I156-I192 HydrophobicContact CD1-CD1 3.46Å; I156-I192 VanDerWaalsContact CD1-CD1 3.46Å; I156-I192 HydrophobicContact CD1-CG1 4.49Å; I156-I192 HydrophobicContact CG1-CD1 3.86Å
157	T	96.5	Very high	97.4	Very high	53 Å²	53	31.6 Å²	31.6	33%	0.325	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-56.6	-177.7	-61.1	0	0	0	0	111.4	I152 N153 H189	I152-T157 HydrophobicContact CG2-CG2 3.57Å; N153-T157 PolarHBondContact ND2-OG1 3.13Å; N153-T157 PolarHBondContact OD1-N 2.91Å; N153-T157 PolarHBondContact OD1-OG1 3.06Å; T157-H189 PolarHBondContact OG1-CE1 2.76Å
158	D	96.6	Very high	97.3	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.043	17%	0.165	C	C	.	.			trans	-153.1	96.4	-178.3	-169.7	-30.1	0	0	0	111.6	R111 I152 N153 T154 Q160 Y161	R111-D158 IonicContact CZ-OD2 3.2Å; R111-D158 IonicContact NE-OD1 3.01Å; R111-D158 PolarHBondContact NE-OD1 2.63Å; R111-D158 IonicContact NE-OD2 3.39Å; R111-D158 PolarHBondContact NE-OD2 3.45Å; R111-D158 IonicContact NH2-OD2 2.63Å; R111-D158 PolarHBondContact NH2-OD2 3.03Å; I152-D158 HydrophobicContact CG2-CB 4.27Å; N153-D158 PolarHBondContact O-N 2.92Å; T154-D158 WeakPolarHBondContact CA-O 3.28Å; D158-Q160 PolarHBondContact O-N 2.92Å; D158-Q160 PolarHBondContact OD1-N 3.44Å; D158-Y161 PolarHBondContact O-N 2.91Å; D158-Y161 PolarHBondContact OD1-N 3.08Å
159	P	95.3	Very high	97.3	Very high	89 Å²	89	32.6 Å²	32.6	58%	0.578	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.6	-179.4	-26.8	35.7	0	0	0	115.1	R118 T154	R118-P159 PolarHBondContact NH2-O 3.32Å; T154-P159 VanDerWaalsContact O-CA 3.27Å; T154-P159 WeakPolarHBondContact O-CA 3.43Å
160	Q	96.4	Very high	97.2	Very high	67 Å²	67	33.5 Å²	33.5	31%	0.313	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-6.7	-176.9	-63.7	-176.7	-96.5	0	0	112.8	R111 V112 Q114 R118 D158 F162	R111-Q160 CarbonylContact C-O 3.52Å; R111-Q160 WeakPolarHBondContact CA-O 3.17Å; R111-Q160 HydrophobicContact CB-CB 3.95Å; R111-Q160 HydrophobicContact CG-CB 3.95Å; V112-Q160 WeakPolarHBondContact CB-O 3.29Å; V112-Q160 WeakPolarHBondContact CG2-O 3.42Å; V112-Q160 PolarHBondContact N-O 2.69Å; V112-Q160 PolarHBondContact O-NE2 3.4Å; Q114-Q160 VanDerWaalsContact CA-NE2 3.34Å; R118-Q160 PolarHBondContact NH2-O 3.01Å; D158-Q160 PolarHBondContact O-N 2.92Å; D158-Q160 PolarHBondContact OD1-N 3.44Å; Q160-F162 PolarHBondContact O-N 3.5Å
161	Y	98.3	Very high	97.2	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-64.5	133.1	-173.9	-155.6	-100.2	0	0	0	112.8	M74 A109 R118 I152 D158 L163	M74-Y161 HydrophobicContact CG-CD2 4.42Å; M74-Y161 HydrophobicContact CG-CE2 4.22Å; M74-Y161 WeakPolarHBondContact O-CE2 3.43Å; A109-Y161 HydrophobicContact CB-CE1 4.1Å; A109-Y161 PolarHBondContact N-OH 2.77Å; R118-Y161 VanDerWaalsContact CZ-O 3.23Å; R118-Y161 PolarHBondContact NH1-O 3.31Å; R118-Y161 PolarHBondContact NH2-O 3.47Å; I152-Y161 HydrophobicContact CB-CD1 3.46Å; I152-Y161 VanDerWaalsContact CB-CD1 3.46Å; I152-Y161 HydrophobicContact CB-CD2 4.45Å; I152-Y161 HydrophobicContact CB-CE1 3.87Å; I152-Y161 HydrophobicContact CB-CG 3.78Å; I152-Y161 HydrophobicContact CG1-CD1 3.55Å; I152-Y161 HydrophobicContact CG1-CD2 4.34Å; I152-Y161 HydrophobicContact CG1-CE1 3.37Å; I152-Y161 HydrophobicContact CG1-CE2 4.19Å; I152-Y161 HydrophobicContact CG1-CG 4.03Å; I152-Y161 HydrophobicContact CG2-CG 4.37Å; D158-Y161 PolarHBondContact O-N 2.91Å; D158-Y161 PolarHBondContact OD1-N 3.08Å; Y161-L163 HydrophobicContact CD1-CB 4.37Å; Y161-L163 VanDerWaalsContact CD1-O 3.23Å; Y161-L163 WeakPolarHBondContact CD1-O 3.06Å; Y161-L163 HydrophobicContact CE1-CB 4.08Å
162	F	98.4	Very high	97.2	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	18%	0.184	C	C	.	.	S	Bend	trans	-70.7	-41.8	-170.5	170.1	-105.9	0	0	0	113.9	A78 A109 G110 K122 M125 E126 F129 Q160 Q168 I172	A78-F162 HydrophobicContact CB-CB 4.45Å; A78-F162 HydrophobicContact CB-CD1 3.5Å; A78-F162 VanDerWaalsContact CB-CD1 3.5Å; A78-F162 HydrophobicContact CB-CE1 3.87Å; A78-F162 HydrophobicContact CB-CG 3.98Å; A109-F162 HydrophobicContact CB-CB 4.47Å; A109-F162 HydrophobicContact CB-CD1 4.19Å; G110-F162 WeakPolarHBondContact O-CB 3.32Å; G110-F162 PolarHBondContact O-N 2.82Å; K122-F162 HydrophobicContact CG-CE2 4.33Å; M125-F162 HydrophobicContact CB-CD2 3.69Å; M125-F162 HydrophobicContact CB-CE2 3.42Å; M125-F162 VanDerWaalsContact CB-CE2 3.42Å; M125-F162 HydrophobicContact CB-CG 4.4Å; M125-F162 HydrophobicContact CB-CZ 3.93Å; M125-F162 HydrophobicContact CE-CB 3.66Å; M125-F162 HydrophobicContact CE-CD2 3.71Å; M125-F162 HydrophobicContact CE-CG 3.79Å; M125-F162 HydrophobicContact CG-CD2 4.34Å; M125-F162 HydrophobicContact CG-CE2 4.44Å; M125-F162 HydrophobicContact SD-CD2 3.73Å; M125-F162 HydrophobicContact SD-CE2 4.34Å; M125-F162 HydrophobicContact SD-CG 4.42Å; E126-F162 HydrophobicContact CB-CZ 4.03Å; F129-F162 HydrophobicContact CB-CE1 4.42Å; F129-F162 HydrophobicContact CD1-CD1 4.38Å; F129-F162 AromaticContact CD1-CE1 3.94Å; F129-F162 HydrophobicContact CD1-CE1 3.94Å; Q160-F162 PolarHBondContact O-N 3.5Å; F162-Q168 PolarHBondContact O-NE2 3.17Å; F162-Q168 PolarHBondContact O-OE1 2.89Å; F162-I172 HydrophobicContact CE1-CD1 4.42Å
163	L	98.4	Very high	97.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.185	C	C	.	.			trans	-98.4	102.1	-176.3	-174.1	69.9	0	0	0	108.8	A109 F129 L149 P151 I152 Y161 Q168 A169 I172	A109-L163 HydrophobicContact CB-CB 3.92Å; F129-L163 HydrophobicContact CE1-CD1 4.48Å; F129-L163 HydrophobicContact CE1-CD2 4.22Å; L149-L163 HydrophobicContact CB-CD2 3.93Å; L149-L163 HydrophobicContact CD2-CD2 4.39Å; L149-L163 HydrophobicContact CG-CD2 4.31Å; P151-L163 CarbonylContact C-O 3.54Å; P151-L163 VanDerWaalsContact CA-O 3.24Å; P151-L163 WeakPolarHBondContact CA-O 3.27Å; I152-L163 PolarHBondContact N-O 2.75Å; Y161-L163 HydrophobicContact CD1-CB 4.37Å; Y161-L163 VanDerWaalsContact CD1-O 3.23Å; Y161-L163 WeakPolarHBondContact CD1-O 3.06Å; Y161-L163 HydrophobicContact CE1-CB 4.08Å; L163-Q168 HydrophobicContact CD1-CB 4.28Å; L163-Q168 HydrophobicContact CD1-CG 3.84Å; L163-A169 HydrophobicContact CD1-CB 3.93Å; L163-A169 HydrophobicContact CD2-CB 4.13Å; L163-A169 HydrophobicContact CG-CB 4.29Å; L163-I172 HydrophobicContact CD1-CD1 3.62Å
164	D	96.7	Very high	97.3	Very high	26 Å²	26	42.7 Å²	42.7	14%	0.139	22%	0.221	C	C	.	.			trans	-122.5	-7	-165	62.4	16.2	0	0	0	115.8	R118 I152 T154 Q168 M193	R118-D164 IonicContact CZ-OD2 2.69Å; R118-D164 IonicContact NH1-OD2 3.4Å; R118-D164 PolarHBondContact NH1-OD2 3.31Å; I152-D164 WeakPolarHBondContact O-CA 3.25Å; T154-D164 HydrophobicContact CG2-CB 3.58Å; D164-Q168 PolarHBondContact OD1-OE1 2.87Å; D164-M193 HydrophobicContact CB-CE 4.27Å; D164-M193 WeakPolarHBondContact O-CG 3.25Å
165	T	95.9	Very high	97.4	Very high	26 Å²	26	45.9 Å²	45.9	16%	0.16	23%	0.232	C	C	.	.			trans	-137.3	148.9	179	51.6	0	0	0	0	112.4	Q167 Q168 A169 M193	T165-Q167 VanDerWaalsContact C-N 3.27Å; T165-Q167 PolarHBondContact O-N 3.41Å; T165-Q168 PolarHBondContact O-N 2.66Å; T165-Q168 VanDerWaalsContact OG1-CB 3.29Å; T165-Q168 WeakPolarHBondContact OG1-CB 3.29Å; T165-Q168 PolarHBondContact OG1-N 3.43Å; T165-A169 PolarHBondContact O-N 2.82Å; T165-A169 VanDerWaalsContact O-N 3.16Å; T165-M193 HydrophobicContact CG2-CE 4.27Å
166	P	94.8	Very high	97.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-35.1	174.6	20.9	-30.8	0	0	0	113.2	A169 A170 W190 D194 F204	P166-A169 PolarHBondContact O-N 2.78Å; P166-A170 WeakPolarHBondContact O-CB 3.41Å; P166-A170 PolarHBondContact O-N 2.76Å; P166-W190 HydrophobicContact CB-CD2 4.15Å; P166-W190 HydrophobicContact CB-CE3 4.46Å; P166-W190 HydrophobicContact CB-CH2 4Å; P166-W190 HydrophobicContact CB-CZ2 3.65Å; P166-W190 HydrophobicContact CB-CZ3 4.38Å; P166-W190 HydrophobicContact CG-CD2 4.07Å; P166-W190 HydrophobicContact CG-CE3 4.37Å; P166-W190 HydrophobicContact CG-CG 4.49Å; P166-W190 HydrophobicContact CG-CZ2 4.46Å; P166-D194 VanDerWaalsContact CD-OD2 3.27Å; P166-D194 WeakPolarHBondContact CD-OD2 3.42Å; P166-D194 VanDerWaalsContact CG-OD2 3.32Å; P166-D194 WeakPolarHBondContact CG-OD2 2.79Å; P166-F204 HydrophobicContact CB-CD2 4.06Å; P166-F204 HydrophobicContact CB-CE2 4.13Å; P166-F204 HydrophobicContact CG-CE2 4.4Å
167	Q	96.4	Very high	97.5	Very high	77 Å²	77	36.4 Å²	36.4	36%	0.36	21%	0.206	S	C	.	.	H	α-helix	trans	-68.8	-37.9	179.3	-54.8	75.7	12.1	0	0	111.3	T165 A171 D194 F204	T165-Q167 VanDerWaalsContact C-N 3.27Å; T165-Q167 PolarHBondContact O-N 3.41Å; Q167-A171 VanDerWaalsContact O-CB 3.31Å; Q167-A171 WeakPolarHBondContact O-CB 3.27Å; Q167-A171 PolarHBondContact O-N 3.39Å; Q167-D194 VanDerWaalsContact CD-OD2 3.27Å; Q167-D194 PolarHBondContact NE2-OD2 3.4Å; Q167-D194 PolarHBondContact OE1-OD2 2.91Å; Q167-F204 HydrophobicContact CG-CZ 3.97Å
168	Q	97.6	Very high	97.6	Very high	21 Å²	21	39.7 Å²	39.7	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-46.9	173.1	-175.6	-171.5	8.6	0	0	110.6	F162 L163 D164 T165 A171 I172	F162-Q168 PolarHBondContact O-NE2 3.17Å; F162-Q168 PolarHBondContact O-OE1 2.89Å; L163-Q168 HydrophobicContact CD1-CB 4.28Å; L163-Q168 HydrophobicContact CD1-CG 3.84Å; D164-Q168 PolarHBondContact OD1-OE1 2.87Å; T165-Q168 PolarHBondContact O-N 2.66Å; T165-Q168 VanDerWaalsContact OG1-CB 3.29Å; T165-Q168 WeakPolarHBondContact OG1-CB 3.29Å; T165-Q168 PolarHBondContact OG1-N 3.43Å; Q168-A171 PolarHBondContact O-N 3.01Å; Q168-I172 HydrophobicContact CG-CD1 3.94Å; Q168-I172 WeakPolarHBondContact O-CD1 3.5Å; Q168-I172 WeakPolarHBondContact O-CG1 3.39Å; Q168-I172 PolarHBondContact O-N 2.85Å
169	A	98.3	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-44.7	178.2	0	0	0	0	0	112.5	P151 L163 T165 P166 A171 I172 L173 L183	P151-A169 HydrophobicContact CG-CB 3.84Å; L163-A169 HydrophobicContact CD1-CB 3.93Å; L163-A169 HydrophobicContact CD2-CB 4.13Å; L163-A169 HydrophobicContact CG-CB 4.29Å; T165-A169 PolarHBondContact O-N 2.82Å; T165-A169 VanDerWaalsContact O-N 3.16Å; P166-A169 PolarHBondContact O-N 2.78Å; A169-A171 PolarHBondContact O-N 2.77Å; A169-I172 PolarHBondContact O-N 2.75Å; A169-L173 WeakPolarHBondContact O-CG 3.19Å; A169-L173 PolarHBondContact O-N 3.13Å; A169-L183 HydrophobicContact CB-CD1 3.44Å; A169-L183 VanDerWaalsContact CB-CD1 3.44Å
170	A	98.3	Very high	97.8	Very high	18 Å²	18	41.8 Å²	41.8	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-44.3	175.7	0	0	0	0	0	111.9	P166 I172 L173 Q174 F204 I207	P166-A170 WeakPolarHBondContact O-CB 3.41Å; P166-A170 PolarHBondContact O-N 2.76Å; A170-I172 VanDerWaalsContact C-N 3.33Å; A170-I172 PolarHBondContact O-N 2.9Å; A170-L173 PolarHBondContact O-N 3.02Å; A170-Q174 WeakPolarHBondContact O-CB 3.47Å; A170-Q174 PolarHBondContact O-N 2.79Å; A170-F204 HydrophobicContact CB-CD1 4.06Å; A170-F204 HydrophobicContact CB-CE1 3.79Å; A170-I207 HydrophobicContact CB-CD1 3.89Å
171	A	98.6	Very high	97.9	Very high	36 Å²	36	39 Å²	39	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-37.6	176.3	0	0	0	0	0	112.4	Q167 Q168 A169 K175	Q167-A171 VanDerWaalsContact O-CB 3.31Å; Q167-A171 WeakPolarHBondContact O-CB 3.27Å; Q167-A171 PolarHBondContact O-N 3.39Å; Q168-A171 PolarHBondContact O-N 3.01Å; A169-A171 PolarHBondContact O-N 2.77Å; A171-K175 VanDerWaalsContact O-CG 3.26Å; A171-K175 WeakPolarHBondContact O-CG 3.1Å; A171-K175 PolarHBondContact O-N 2.92Å; A171-K175 VanDerWaalsContact O-N 3.07Å
172	I	98.8	Very high	97.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-48.4	174.9	-72.4	161.2	0	0	0	110.6	E126 F129 L130 L133 L149 F162 L163 Q168 A169 A170 Q174 K175 V176	E126-I172 HydrophobicContact CG-CG1 4.48Å; F129-I172 HydrophobicContact CD1-CD1 3.94Å; F129-I172 HydrophobicContact CD1-CG2 4.14Å; F129-I172 HydrophobicContact CE1-CD1 4.17Å; F129-I172 HydrophobicContact CE1-CG2 4.26Å; L130-I172 HydrophobicContact CD2-CG2 4.06Å; L133-I172 HydrophobicContact CD1-CG2 3.4Å; L133-I172 VanDerWaalsContact CD1-CG2 3.4Å; L149-I172 HydrophobicContact CD2-CB 4.37Å; L149-I172 HydrophobicContact CD2-CG2 3.74Å; F162-I172 HydrophobicContact CE1-CD1 4.42Å; L163-I172 HydrophobicContact CD1-CD1 3.62Å; Q168-I172 HydrophobicContact CG-CD1 3.94Å; Q168-I172 WeakPolarHBondContact O-CD1 3.5Å; Q168-I172 WeakPolarHBondContact O-CG1 3.39Å; Q168-I172 PolarHBondContact O-N 2.85Å; A169-I172 PolarHBondContact O-N 2.75Å; A170-I172 VanDerWaalsContact C-N 3.33Å; A170-I172 PolarHBondContact O-N 2.9Å; I172-Q174 VanDerWaalsContact C-N 3.27Å; I172-Q174 PolarHBondContact O-N 2.85Å; I172-K175 PolarHBondContact O-N 3.19Å; I172-K175 VanDerWaalsContact O-N 3.08Å; I172-V176 HydrophobicContact CG2-CG2 4.34Å; I172-V176 WeakPolarHBondContact O-CG2 3.43Å; I172-V176 PolarHBondContact O-N 3.02Å
173	L	98.8	Very high	97.9	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-55.7	-44	177	-72.2	171.9	0	0	0	111.3	L149 A169 A170 K175 V176 G177 L181 L183 I207	L149-L173 HydrophobicContact CD1-CD2 4.05Å; L149-L173 HydrophobicContact CD2-CD2 4.06Å; L149-L173 HydrophobicContact CD2-CG 4.18Å; A169-L173 WeakPolarHBondContact O-CG 3.19Å; A169-L173 PolarHBondContact O-N 3.13Å; A170-L173 PolarHBondContact O-N 3.02Å; L173-K175 PolarHBondContact O-N 3.22Å; L173-V176 PolarHBondContact O-N 3.1Å; L173-G177 PolarHBondContact O-N 3.44Å; L173-L181 HydrophobicContact CD2-CB 3.65Å; L173-L183 HydrophobicContact CD1-CB 3.97Å; L173-I207 HydrophobicContact CD1-CD1 4.12Å
174	Q	98.6	Very high	98	Very high	164 Å²	164	41.6 Å²	41.6	77%	0.766	23%	0.225	S	C	*	.	H	α-helix	trans	-60.4	-45	175.1	-171.7	-176.3	13.6	0	0	112.3	A170 I172 V176 G177	A170-Q174 WeakPolarHBondContact O-CB 3.47Å; A170-Q174 PolarHBondContact O-N 2.79Å; I172-Q174 VanDerWaalsContact C-N 3.27Å; I172-Q174 PolarHBondContact O-N 2.85Å; Q174-V176 VanDerWaalsContact C-N 3.34Å; Q174-V176 PolarHBondContact O-N 2.87Å; Q174-G177 PolarHBondContact O-N 3.45Å
175	K	98.8	Very high	98.1	Very high	99 Å²	99	40.3 Å²	40.3	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-30.9	178.4	-74.6	169.5	-178.5	173.8	0	113.4	E126 L130 R134 A171 I172 L173	E126-K175 IonicContact OE1-NZ 2.84Å; E126-K175 PolarHBondContact OE1-NZ 2.73Å; E126-K175 IonicContact OE2-NZ 2.76Å; L130-K175 HydrophobicContact CD1-CB 4.41Å; L130-K175 HydrophobicContact CD1-CD 4.24Å; L130-K175 HydrophobicContact CD2-CB 3.7Å; L130-K175 HydrophobicContact CD2-CD 4.47Å; R134-K175 PolarHBondContact NH2-O 3.43Å; R134-K175 VanDerWaalsContact NH2-O 3.17Å; A171-K175 VanDerWaalsContact O-CG 3.26Å; A171-K175 WeakPolarHBondContact O-CG 3.1Å; A171-K175 PolarHBondContact O-N 2.92Å; A171-K175 VanDerWaalsContact O-N 3.07Å; I172-K175 PolarHBondContact O-N 3.19Å; I172-K175 VanDerWaalsContact O-N 3.08Å; L173-K175 PolarHBondContact O-N 3.22Å
176	V	98.4	Very high	98.2	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	21%	0.21	C	C	.	.	H	α-helix	trans	-75.7	-39.7	175.5	178.3	0	0	0	0	110.4	L130 L133 R134 I172 L173 Q174 R178 L181	L130-V176 HydrophobicContact CD2-CG2 3.51Å; L133-V176 HydrophobicContact CB-CG1 4.34Å; L133-V176 HydrophobicContact CB-CG2 3.81Å; L133-V176 HydrophobicContact CD1-CG2 3.93Å; R134-V176 HydrophobicContact CG-CG1 3.94Å; I172-V176 HydrophobicContact CG2-CG2 4.34Å; I172-V176 WeakPolarHBondContact O-CG2 3.43Å; I172-V176 PolarHBondContact O-N 3.02Å; L173-V176 PolarHBondContact O-N 3.1Å; Q174-V176 VanDerWaalsContact C-N 3.34Å; Q174-V176 PolarHBondContact O-N 2.87Å; V176-R178 HydrophobicContact CG1-CB 4.01Å; V176-R178 HydrophobicContact CG1-CG 3.64Å; V176-L181 HydrophobicContact CB-CD1 4.35Å; V176-L181 HydrophobicContact CG1-CD1 3.6Å
177	G	98.1	Very high	98.4	Very high	49 Å²	49	39 Å²	39	51%	0.505	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	47.8	174.3	0	0	0	0	0	112.4	L173 Q174	L173-G177 PolarHBondContact O-N 3.44Å; Q174-G177 PolarHBondContact O-N 3.45Å
178	R	98.3	Very high	98.5	Very high	122 Å²	122	35.5 Å²	35.5	46%	0.46	19%	0.194	S	C	.	.			trans	-128.2	121.9	-179.4	-67.6	-71.4	-176.8	-91.2	3.9	110.1	A137 V176 N180 L181	A137-R178 HydrophobicContact CB-CB 3.73Å; A137-R178 HydrophobicContact CB-CG 3.53Å; V176-R178 HydrophobicContact CG1-CB 4.01Å; V176-R178 HydrophobicContact CG1-CG 3.64Å; R178-N180 VanDerWaalsContact C-N 3.28Å; R178-N180 PolarHBondContact O-N 2.77Å; R178-L181 HydrophobicContact CB-CD1 4.32Å; R178-L181 HydrophobicContact CB-CG 4.17Å; R178-L181 PolarHBondContact O-N 3.47Å
179	P	97.1	Very high	98.6	Very high	117 Å²	117	34.7 Å²	34.7	76%	0.76	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.2	-172.6	29	-35.8	0	0	0	113.8	L181	P179-L181 VanDerWaalsContact C-N 3.26Å
180	N	98.7	Very high	98.6	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.134	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	8.6	175.2	68.1	-41.2	0	0	0	113.2	A137 A141 V146 G147 R178	A137-N180 PolarHBondContact O-ND2 3.21Å; A141-N180 PolarHBondContact N-ND2 3.32Å; V146-N180 WeakPolarHBondContact CA-O 3.32Å; G147-N180 PolarHBondContact N-O 2.86Å; R178-N180 VanDerWaalsContact C-N 3.28Å; R178-N180 PolarHBondContact O-N 2.77Å
181	L	98.9	Very high	98.6	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.9	165.7	-60.2	-174	0	0	0	109.3	L107 L133 A137 L140 G147 L173 V176 R178 P179	L107-L181 HydrophobicContact CD1-CD2 3.93Å; L133-L181 HydrophobicContact CB-CD1 3.97Å; L133-L181 HydrophobicContact CD2-CD1 4.33Å; A137-L181 HydrophobicContact CB-CD1 4.07Å; A137-L181 HydrophobicContact CB-CD2 4.27Å; A137-L181 HydrophobicContact CB-CG 4.01Å; L140-L181 HydrophobicContact CD1-CD2 4.35Å; G147-L181 CarbonylContact O-C 3.57Å; G147-L181 VanDerWaalsContact O-CA 3.3Å; G147-L181 WeakPolarHBondContact O-CA 3.39Å; L173-L181 HydrophobicContact CD2-CB 3.65Å; V176-L181 HydrophobicContact CB-CD1 4.35Å; V176-L181 HydrophobicContact CG1-CD1 3.6Å; R178-L181 HydrophobicContact CB-CD1 4.32Å; R178-L181 HydrophobicContact CB-CG 4.17Å; R178-L181 PolarHBondContact O-N 3.47Å; P179-L181 VanDerWaalsContact C-N 3.26Å
182	Q	98.8	Very high	98.6	Very high	59 Å²	59	35.3 Å²	35.3	28%	0.276	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.5	-172.7	-64.8	178	-13.8	0	0	111	V146 G147 L148 L149	V146-Q182 HydrophobicContact CG1-CB 4.23Å; V146-Q182 HydrophobicContact CG1-CG 4.07Å; G147-Q182 PolarHBondContact O-N 2.91Å; L148-Q182 CarbonylContact C-O 3.58Å; L148-Q182 WeakPolarHBondContact CA-O 3.48Å; L148-Q182 HydrophobicContact CD2-CB 3.91Å; L149-Q182 PolarHBondContact N-O 2.75Å
183	L	98.8	Very high	98.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.5	177.3	-174.8	62	0	0	0	110.3	P151 A169 L173 W190 F204 I207 V208 G209	P151-L183 HydrophobicContact CG-CD1 4.06Å; A169-L183 HydrophobicContact CB-CD1 3.44Å; A169-L183 VanDerWaalsContact CB-CD1 3.44Å; L173-L183 HydrophobicContact CD1-CB 3.97Å; L183-W190 HydrophobicContact CD2-CH2 3.81Å; L183-W190 HydrophobicContact CD2-CZ2 3.56Å; L183-W190 HydrophobicContact CG-CZ2 4.07Å; L183-F204 HydrophobicContact CD2-CB 3.97Å; L183-F204 HydrophobicContact CD2-CG 4.4Å; L183-I207 HydrophobicContact CB-CD1 4.35Å; L183-I207 HydrophobicContact CB-CG1 4.24Å; L183-I207 HydrophobicContact CD2-CD1 4.18Å; L183-I207 HydrophobicContact CD2-CG1 4.31Å; L183-I207 PolarHBondContact N-O 3.23Å; L183-V208 HydrophobicContact CB-CG2 4.13Å; L183-V208 HydrophobicContact CD2-CG2 4.06Å; L183-V208 HydrophobicContact CG-CG2 4.24Å; L183-V208 CarbonylContact O-C 3.51Å; L183-V208 VanDerWaalsContact O-CA 3.3Å; L183-V208 WeakPolarHBondContact O-CA 3.49Å; L183-G209 PolarHBondContact O-N 3.05Å
184	Q	98.9	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120	164.8	-178.1	170	-39.8	0	0	108.7	L148 L149 E150 P151 H210 Q212	L148-Q184 HydrophobicContact CB-CB 4.1Å; L148-Q184 HydrophobicContact CD1-CB 4.2Å; L148-Q184 HydrophobicContact CD1-CG 4.41Å; L148-Q184 VanDerWaalsContact CD1-OE1 3.23Å; L149-Q184 PolarHBondContact O-N 2.82Å; E150-Q184 HydrophobicContact CB-CB 3.94Å; E150-Q184 HydrophobicContact CB-CG 4.19Å; E150-Q184 HydrophobicContact CG-CB 4.13Å; E150-Q184 HydrophobicContact CG-CG 3.94Å; E150-Q184 PolarHBondContact OE2-NE2 3.06Å; P151-Q184 WeakPolarHBondContact CD-O 3.48Å; Q184-H210 HydrophobicContact CG-CB 4.34Å; Q184-Q212 VanDerWaalsContact NE2-CD 3.33Å
185	M	98.8	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	91.4	-178	179.1	173.8	82.6	0	0	109.7	I187 W190 I201 L205 V208 H210 V211 Q212 L237	M185-I187 HydrophobicContact CE-CD1 4.47Å; M185-I187 HydrophobicContact CE-CG1 4.45Å; M185-I187 HydrophobicContact CG-CG1 4.48Å; M185-W190 HydrophobicContact CB-CH2 3.93Å; M185-W190 HydrophobicContact CB-CZ2 3.63Å; M185-W190 HydrophobicContact CG-CD2 3.85Å; M185-W190 HydrophobicContact CG-CE3 3.86Å; M185-W190 HydrophobicContact CG-CH2 3.51Å; M185-W190 HydrophobicContact CG-CZ2 3.48Å; M185-W190 VanDerWaalsContact CG-CZ2 3.48Å; M185-W190 HydrophobicContact CG-CZ3 3.7Å; M185-W190 HydrophobicContact SD-CE3 4Å; M185-W190 HydrophobicContact SD-CH2 3.52Å; M185-W190 VanDerWaalsContact SD-CH2 3.52Å; M185-W190 HydrophobicContact SD-CZ2 4.15Å; M185-W190 HydrophobicContact SD-CZ3 3.43Å; M185-W190 WeakPolarHBondContact SD-CZ3 3.31Å; M185-I201 HydrophobicContact CE-CG1 4Å; M185-I201 HydrophobicContact SD-CG1 3.77Å; M185-L205 HydrophobicContact CE-CD1 4.29Å; M185-V208 HydrophobicContact CB-CG1 3.99Å; M185-V208 HydrophobicContact CB-CG2 3.96Å; M185-V208 HydrophobicContact SD-CG2 4.4Å; M185-H210 PolarHBondContact N-O 3.14Å; M185-V211 HydrophobicContact CB-CG2 4.39Å; M185-V211 HydrophobicContact CE-CB 4.28Å; M185-V211 HydrophobicContact CE-CG1 3.8Å; M185-V211 HydrophobicContact CE-CG2 3.49Å; M185-V211 VanDerWaalsContact CE-CG2 3.49Å; M185-V211 CarbonylContact O-C 3.55Å; M185-V211 VanDerWaalsContact O-CA 3.28Å; M185-V211 WeakPolarHBondContact O-CA 3.24Å; M185-Q212 PolarHBondContact O-N 3.36Å; M185-L237 HydrophobicContact CE-CD2 3.64Å
186	D	98.8	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	109.7	162.6	-174	-9.6	0	0	0	109.4	F188 H189 W190 Q212 R219	D186-F188 PolarHBondContact O-N 2.99Å; D186-F188 VanDerWaalsContact OD1-CB 3.24Å; D186-F188 WeakPolarHBondContact OD1-CB 3.38Å; D186-F188 PolarHBondContact OD1-N 3.49Å; D186-H189 HydrophobicContact CB-CB 4.32Å; D186-H189 PolarHBondContact O-N 3.2Å; D186-H189 VanDerWaalsContact O-N 3.14Å; D186-H189 IonicContact OD2-CD2 3.31Å; D186-H189 PolarHBondContact OD2-CD2 2.99Å; D186-H189 IonicContact OD2-CG 3.9Å; D186-H189 IonicContact OD2-NE2 2.75Å; D186-H189 PolarHBondContact OD2-NE2 2.63Å; D186-W190 PolarHBondContact O-N 3.05Å; D186-Q212 HydrophobicContact CB-CB 4.04Å; D186-R219 IonicContact OD2-NH2 3.06Å; D186-R219 PolarHBondContact OD2-NH2 2.95Å
187	I	98.8	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-31.8	179.4	-75.7	171.7	0	0	0	111.6	M185 W190 Q191 L197 V211 Q212 V213 L228 F230 L233	M185-I187 HydrophobicContact CE-CD1 4.47Å; M185-I187 HydrophobicContact CE-CG1 4.45Å; M185-I187 HydrophobicContact CG-CG1 4.48Å; I187-W190 PolarHBondContact O-N 3.39Å; I187-Q191 WeakPolarHBondContact O-CB 3.39Å; I187-Q191 PolarHBondContact O-N 3.19Å; I187-L197 HydrophobicContact CG2-CD1 3.95Å; I187-V211 HydrophobicContact CD1-CG1 4.28Å; I187-Q212 PolarHBondContact N-O 3Å; I187-V213 HydrophobicContact CD1-CG1 3.96Å; I187-L228 HydrophobicContact CG2-CD1 3.73Å; I187-F230 HydrophobicContact CG2-CE1 4.25Å; I187-F230 HydrophobicContact CG2-CZ 4.39Å; I187-L233 HydrophobicContact CG2-CD1 4.04Å
188	F	98.8	Very high	98	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-48.4	176.7	173.7	-100.2	0	0	0	111.1	I156 D186 I192 A214 V216 R219	I156-F188 HydrophobicContact CD1-CE1 4.46Å; I156-F188 HydrophobicContact CD1-CE2 4.44Å; I156-F188 HydrophobicContact CD1-CZ 3.72Å; I156-F188 HydrophobicContact CG1-CZ 4.41Å; D186-F188 PolarHBondContact O-N 2.99Å; D186-F188 VanDerWaalsContact OD1-CB 3.24Å; D186-F188 WeakPolarHBondContact OD1-CB 3.38Å; D186-F188 PolarHBondContact OD1-N 3.49Å; F188-I192 HydrophobicContact CD1-CD1 4Å; F188-I192 HydrophobicContact CD2-CD1 3.97Å; F188-I192 HydrophobicContact CE1-CD1 3.63Å; F188-I192 HydrophobicContact CE2-CD1 3.58Å; F188-I192 HydrophobicContact CG-CD1 4.16Å; F188-I192 HydrophobicContact CZ-CD1 3.42Å; F188-I192 VanDerWaalsContact CZ-CD1 3.42Å; F188-I192 WeakPolarHBondContact O-CD1 3.49Å; F188-I192 WeakPolarHBondContact O-CG1 3.36Å; F188-I192 PolarHBondContact O-N 2.78Å; F188-A214 HydrophobicContact CB-CB 4.03Å; F188-A214 HydrophobicContact CD2-CB 4.17Å; F188-A214 HydrophobicContact CG-CB 4.25Å; F188-V216 HydrophobicContact CD2-CG2 3.55Å; F188-V216 HydrophobicContact CE2-CG2 4.15Å; F188-V216 HydrophobicContact CG-CG2 4.35Å; F188-R219 HydrophobicContact CD1-CG 4.11Å; F188-R219 HydrophobicContact CD2-CB 4.16Å; F188-R219 HydrophobicContact CD2-CG 3.93Å; F188-R219 HydrophobicContact CE1-CB 4.36Å; F188-R219 HydrophobicContact CE1-CG 3.92Å; F188-R219 HydrophobicContact CE2-CB 3.56Å; F188-R219 HydrophobicContact CE2-CG 3.75Å; F188-R219 HydrophobicContact CG-CG 4.11Å; F188-R219 HydrophobicContact CZ-CB 3.66Å; F188-R219 HydrophobicContact CZ-CG 3.72Å
189	H	98.8	Very high	98	Very high	3 Å²	3	27 Å²	27	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-42.9	178	-67.8	-42.9	0	0	0	111.7	E150 P151 I152 N153 T157 D186 I192 M193 R219	E150-H189 IonicContact OE1-CD2 2.78Å; E150-H189 PolarHBondContact OE1-CD2 3.08Å; E150-H189 IonicContact OE1-NE2 3.17Å; P151-H189 VanDerWaalsContact O-CB 3.31Å; P151-H189 WeakPolarHBondContact O-CB 3.35Å; I152-H189 WeakPolarHBondContact CD1-NE2 3.22Å; N153-H189 HydrophobicContact CB-CB 4.39Å; N153-H189 PolarHBondContact N-ND1 2.99Å; N153-H189 PolarHBondContact ND2-ND1 3.48Å; T157-H189 PolarHBondContact OG1-CE1 2.76Å; D186-H189 HydrophobicContact CB-CB 4.32Å; D186-H189 PolarHBondContact O-N 3.2Å; D186-H189 VanDerWaalsContact O-N 3.14Å; D186-H189 IonicContact OD2-CD2 3.31Å; D186-H189 PolarHBondContact OD2-CD2 2.99Å; D186-H189 IonicContact OD2-CG 3.9Å; D186-H189 IonicContact OD2-NE2 2.75Å; D186-H189 PolarHBondContact OD2-NE2 2.63Å; H189-I192 PolarHBondContact O-N 2.69Å; H189-M193 WeakPolarHBondContact O-CB 3.37Å; H189-M193 WeakPolarHBondContact O-CG 3.31Å; H189-M193 PolarHBondContact O-N 3.4Å; H189-R219 PolarHBondContact CE1-NH2 3.38Å; H189-R219 PolarHBondContact NE2-NH2 3.46Å
190	W	98.1	Very high	97.9	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-43.3	-178	-73.5	30.4	0	0	0	112.6	P166 L183 M185 D186 I187 I192 M193 D194 G195 L197 N200 F204	P166-W190 HydrophobicContact CB-CD2 4.15Å; P166-W190 HydrophobicContact CB-CE3 4.46Å; P166-W190 HydrophobicContact CB-CH2 4Å; P166-W190 HydrophobicContact CB-CZ2 3.65Å; P166-W190 HydrophobicContact CB-CZ3 4.38Å; P166-W190 HydrophobicContact CG-CD2 4.07Å; P166-W190 HydrophobicContact CG-CE3 4.37Å; P166-W190 HydrophobicContact CG-CG 4.49Å; P166-W190 HydrophobicContact CG-CZ2 4.46Å; L183-W190 HydrophobicContact CD2-CH2 3.81Å; L183-W190 HydrophobicContact CD2-CZ2 3.56Å; L183-W190 HydrophobicContact CG-CZ2 4.07Å; M185-W190 HydrophobicContact CB-CH2 3.93Å; M185-W190 HydrophobicContact CB-CZ2 3.63Å; M185-W190 HydrophobicContact CG-CD2 3.85Å; M185-W190 HydrophobicContact CG-CE3 3.86Å; M185-W190 HydrophobicContact CG-CH2 3.51Å; M185-W190 HydrophobicContact CG-CZ2 3.48Å; M185-W190 VanDerWaalsContact CG-CZ2 3.48Å; M185-W190 HydrophobicContact CG-CZ3 3.7Å; M185-W190 HydrophobicContact SD-CE3 4Å; M185-W190 HydrophobicContact SD-CH2 3.52Å; M185-W190 VanDerWaalsContact SD-CH2 3.52Å; M185-W190 HydrophobicContact SD-CZ2 4.15Å; M185-W190 HydrophobicContact SD-CZ3 3.43Å; M185-W190 WeakPolarHBondContact SD-CZ3 3.31Å; D186-W190 PolarHBondContact O-N 3.05Å; I187-W190 PolarHBondContact O-N 3.39Å; W190-I192 VanDerWaalsContact C-N 3.29Å; W190-I192 PolarHBondContact O-N 3.03Å; W190-M193 PolarHBondContact O-N 2.85Å; W190-D194 PolarHBondContact O-N 3.42Å; W190-G195 PolarHBondContact O-N 3.36Å; W190-L197 HydrophobicContact CB-CD2 3.94Å; W190-N200 HydrophobicContact CE3-CB 4.03Å; W190-N200 HydrophobicContact CZ3-CB 4.02Å; W190-F204 HydrophobicContact CH2-CB 3.75Å; W190-F204 HydrophobicContact CH2-CD2 4.12Å; W190-F204 HydrophobicContact CH2-CG 4.27Å; W190-F204 HydrophobicContact CZ3-CB 4.27Å; W190-F204 HydrophobicContact CZ3-CD2 4.12Å
191	Q	98.6	Very high	97.9	Very high	43 Å²	43	20.7 Å²	20.7	20%	0.201	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-44.5	176.7	174.8	60.2	17.1	0	0	110.9	I187 M193 G195 L197 V216 E227 L228	I187-Q191 WeakPolarHBondContact O-CB 3.39Å; I187-Q191 PolarHBondContact O-N 3.19Å; Q191-M193 VanDerWaalsContact C-N 3.33Å; Q191-M193 PolarHBondContact O-N 3.21Å; Q191-G195 PolarHBondContact O-N 3.46Å; Q191-L197 HydrophobicContact CB-CD1 4.23Å; Q191-L197 HydrophobicContact CB-CD2 4.29Å; Q191-V216 HydrophobicContact CB-CG2 3.96Å; Q191-V216 HydrophobicContact CG-CB 4.19Å; Q191-V216 HydrophobicContact CG-CG1 4.06Å; Q191-V216 HydrophobicContact CG-CG2 3.91Å; Q191-E227 WeakPolarHBondContact CG-OE1 3.37Å; Q191-E227 PolarHBondContact NE2-OE1 2.57Å; Q191-L228 HydrophobicContact CB-CD1 4.2Å; Q191-L228 HydrophobicContact CB-CD2 4.19Å; Q191-L228 HydrophobicContact CG-CD1 4.28Å; Q191-L228 HydrophobicContact CG-CD2 3.66Å; Q191-L228 HydrophobicContact CG-CG 4.21Å
192	I	98.3	Very high	97.9	Very high	23 Å²	23	24.9 Å²	24.9	12%	0.118	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-38	-178.6	-71	163	0	0	0	111.1	N153 R155 I156 F188 H189 W190 V216	N153-I192 HydrophobicContact CB-CB 4.06Å; N153-I192 HydrophobicContact CB-CG2 3.74Å; N153-I192 WeakPolarHBondContact ND2-CD1 3.49Å; R155-I192 HydrophobicContact CB-CG2 3.75Å; R155-I192 WeakPolarHBondContact CD-O 3.25Å; R155-I192 HydrophobicContact CG-CG2 4.26Å; R155-I192 PolarHBondContact NH1-O 3.22Å; I156-I192 HydrophobicContact CD1-CD1 3.46Å; I156-I192 VanDerWaalsContact CD1-CD1 3.46Å; I156-I192 HydrophobicContact CD1-CG1 4.49Å; I156-I192 HydrophobicContact CG1-CD1 3.86Å; F188-I192 HydrophobicContact CD1-CD1 4Å; F188-I192 HydrophobicContact CD2-CD1 3.97Å; F188-I192 HydrophobicContact CE1-CD1 3.63Å; F188-I192 HydrophobicContact CE2-CD1 3.58Å; F188-I192 HydrophobicContact CG-CD1 4.16Å; F188-I192 HydrophobicContact CZ-CD1 3.42Å; F188-I192 VanDerWaalsContact CZ-CD1 3.42Å; F188-I192 WeakPolarHBondContact O-CD1 3.49Å; F188-I192 WeakPolarHBondContact O-CG1 3.36Å; F188-I192 PolarHBondContact O-N 2.78Å; H189-I192 PolarHBondContact O-N 2.69Å; W190-I192 VanDerWaalsContact C-N 3.29Å; W190-I192 PolarHBondContact O-N 3.03Å; I192-V216 HydrophobicContact CD1-CG1 4.48Å; I192-V216 HydrophobicContact CD1-CG2 4.47Å; I192-V216 HydrophobicContact CG1-CG1 3.93Å; I192-V216 HydrophobicContact CG1-CG2 4.31Å
193	M	96.8	Very high	97.8	Very high	21 Å²	21	28.1 Å²	28.1	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-86.5	-50	-174.6	-70.8	-58.2	-63.1	0	0	114.2	N153 T154 R155 D164 T165 H189 W190 Q191	N153-M193 HydrophobicContact CB-CG 3.44Å; N153-M193 VanDerWaalsContact CB-CG 3.44Å; N153-M193 HydrophobicContact CB-SD 3.78Å; T154-M193 PolarHBondContact N-SD 3.07Å; T154-M193 WeakPolarHBondContact OG1-CE 3.48Å; R155-M193 HydrophobicContact CG-SD 4.01Å; R155-M193 VanDerWaalsContact NH1-C 3.26Å; R155-M193 PolarHBondContact NH1-O 3.14Å; D164-M193 HydrophobicContact CB-CE 4.27Å; D164-M193 WeakPolarHBondContact O-CG 3.25Å; T165-M193 HydrophobicContact CG2-CE 4.27Å; H189-M193 WeakPolarHBondContact O-CB 3.37Å; H189-M193 WeakPolarHBondContact O-CG 3.31Å; H189-M193 PolarHBondContact O-N 3.4Å; W190-M193 PolarHBondContact O-N 2.85Å; Q191-M193 VanDerWaalsContact C-N 3.33Å; Q191-M193 PolarHBondContact O-N 3.21Å
194	D	92.4	Very high	97.8	Very high	58 Å²	58	28.7 Å²	28.7	31%	0.31	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-24.4	-169.5	-78.2	-4	0	0	0	113.6	P166 Q167 W190	P166-D194 VanDerWaalsContact CD-OD2 3.27Å; P166-D194 WeakPolarHBondContact CD-OD2 3.42Å; P166-D194 VanDerWaalsContact CG-OD2 3.32Å; P166-D194 WeakPolarHBondContact CG-OD2 2.79Å; Q167-D194 VanDerWaalsContact CD-OD2 3.27Å; Q167-D194 PolarHBondContact NE2-OD2 3.4Å; Q167-D194 PolarHBondContact OE1-OD2 2.91Å; W190-D194 PolarHBondContact O-N 3.42Å
195	G	95.8	Very high	97.7	Very high	12 Å²	12	29.6 Å²	29.6	12%	0.124	16%	0.158	C	C	.	.			trans	58.7	-138.3	-169.1	0	0	0	0	0	110.9	W190 Q191 L197 N200	W190-G195 PolarHBondContact O-N 3.36Å; Q191-G195 PolarHBondContact O-N 3.46Å; G195-L197 PolarHBondContact O-N 2.81Å; G195-N200 PolarHBondContact O-ND2 3.01Å
196	N	97.3	Very high	97.6	Very high	113 Å²	113	35 Å²	35	60%	0.604	19%	0.193	S	C	*	.			trans	45	40.2	177	-170.9	38.5	0	0	0	113.6	T198 G199 N200	N196-T198 VanDerWaalsContact C-N 3.3Å; N196-T198 PolarHBondContact O-N 3Å; N196-G199 PolarHBondContact O-N 3.2Å; N196-G199 VanDerWaalsContact O-N 3.15Å; N196-N200 WeakPolarHBondContact O-CB 3.24Å; N196-N200 PolarHBondContact O-N 3.45Å
197	L	98.2	Very high	97.6	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-40.5	-166.2	-68	178.8	0	0	0	112.9	I187 W190 Q191 G195 N200 I201 L228 L233	I187-L197 HydrophobicContact CG2-CD1 3.95Å; W190-L197 HydrophobicContact CB-CD2 3.94Å; Q191-L197 HydrophobicContact CB-CD1 4.23Å; Q191-L197 HydrophobicContact CB-CD2 4.29Å; G195-L197 PolarHBondContact O-N 2.81Å; L197-N200 PolarHBondContact O-N 3.31Å; L197-I201 HydrophobicContact CB-CD1 4.33Å; L197-I201 VanDerWaalsContact O-CB 3.23Å; L197-I201 WeakPolarHBondContact O-CB 3.44Å; L197-I201 WeakPolarHBondContact O-CD1 3.38Å; L197-I201 WeakPolarHBondContact O-CG1 3.26Å; L197-I201 PolarHBondContact O-N 2.94Å; L197-L228 HydrophobicContact CD1-CD1 4.37Å; L197-L228 HydrophobicContact CD1-CD2 3.5Å; L197-L233 HydrophobicContact CB-CD2 4.08Å; L197-L233 HydrophobicContact CD1-CD1 3.92Å; L197-L233 HydrophobicContact CD1-CD2 4.06Å
198	T	98.6	Very high	97.6	Very high	44 Å²	44	39 Å²	39	27%	0.27	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-53	178.3	-54.4	0	0	0	0	111.6	N196 I201 Q202 Y232 L236	N196-T198 VanDerWaalsContact C-N 3.3Å; N196-T198 PolarHBondContact O-N 3Å; T198-I201 PolarHBondContact O-N 3.15Å; T198-Q202 VanDerWaalsContact O-CG 3.27Å; T198-Q202 WeakPolarHBondContact O-CG 3.4Å; T198-Q202 PolarHBondContact O-N 2.92Å; T198-Q202 VanDerWaalsContact O-N 3.08Å; T198-Y232 VanDerWaalsContact CG2-OH 3.26Å; T198-Y232 WeakPolarHBondContact CG2-OH 3.45Å; T198-Y232 WeakPolarHBondContact OG1-CE1 3.46Å; T198-Y232 PolarHBondContact OG1-OH 3.15Å; T198-L236 HydrophobicContact CG2-CD1 4.38Å; T198-L236 HydrophobicContact CG2-CD2 4.03Å
199	G	98.1	Very high	97.6	Very high	24 Å²	24	39.1 Å²	39.1	25%	0.247	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-44.3	-179.6	0	0	0	0	0	112.1	N196 I201 Q202 E203	N196-G199 PolarHBondContact O-N 3.2Å; N196-G199 VanDerWaalsContact O-N 3.15Å; G199-I201 PolarHBondContact O-N 3.24Å; G199-Q202 PolarHBondContact O-N 3.32Å; G199-E203 WeakPolarHBondContact O-CB 3.38Å; G199-E203 PolarHBondContact O-N 3Å
200	N	97	Very high	97.6	Very high	9 Å²	9	39 Å²	39	5%	0.048	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-39.3	-179.8	-71.6	-15.6	0	0	0	112.3	W190 G195 N196 L197 E203 F204	W190-N200 HydrophobicContact CE3-CB 4.03Å; W190-N200 HydrophobicContact CZ3-CB 4.02Å; G195-N200 PolarHBondContact O-ND2 3.01Å; N196-N200 WeakPolarHBondContact O-CB 3.24Å; N196-N200 PolarHBondContact O-N 3.45Å; L197-N200 PolarHBondContact O-N 3.31Å; N200-E203 PolarHBondContact O-N 3.07Å; N200-F204 HydrophobicContact CB-CD2 4.25Å; N200-F204 HydrophobicContact CB-CE2 4.48Å; N200-F204 WeakPolarHBondContact O-CB 3.12Å; N200-F204 VanDerWaalsContact O-CD2 3.22Å; N200-F204 WeakPolarHBondContact O-CD2 3.37Å; N200-F204 PolarHBondContact O-N 3.18Å
201	I	98.1	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-50.3	174.4	-72.3	164.8	0	0	0	109.1	M185 L197 T198 G199 E203 F204 L205 L233 L236 L237	M185-I201 HydrophobicContact CE-CG1 4Å; M185-I201 HydrophobicContact SD-CG1 3.77Å; L197-I201 HydrophobicContact CB-CD1 4.33Å; L197-I201 VanDerWaalsContact O-CB 3.23Å; L197-I201 WeakPolarHBondContact O-CB 3.44Å; L197-I201 WeakPolarHBondContact O-CD1 3.38Å; L197-I201 WeakPolarHBondContact O-CG1 3.26Å; L197-I201 PolarHBondContact O-N 2.94Å; T198-I201 PolarHBondContact O-N 3.15Å; G199-I201 PolarHBondContact O-N 3.24Å; I201-E203 VanDerWaalsContact C-N 3.28Å; I201-E203 PolarHBondContact O-N 3.22Å; I201-F204 PolarHBondContact O-N 2.86Å; I201-L205 WeakPolarHBondContact O-CB 3.28Å; I201-L205 PolarHBondContact O-N 2.89Å; I201-L233 HydrophobicContact CD1-CD2 4.15Å; I201-L236 HydrophobicContact CB-CD2 4.02Å; I201-L236 HydrophobicContact CD1-CD2 3.83Å; I201-L236 HydrophobicContact CG2-CD2 3.97Å; I201-L236 HydrophobicContact CG2-CG 4.14Å; I201-L237 HydrophobicContact CG2-CD2 4.09Å
202	Q	97.9	Very high	97.6	Very high	96 Å²	96	37 Å²	37	45%	0.449	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-37.4	-179.8	-69.2	-177.8	-44.8	0	0	113	T198 G199 L236 E240	T198-Q202 VanDerWaalsContact O-CG 3.27Å; T198-Q202 WeakPolarHBondContact O-CG 3.4Å; T198-Q202 PolarHBondContact O-N 2.92Å; T198-Q202 VanDerWaalsContact O-N 3.08Å; G199-Q202 PolarHBondContact O-N 3.32Å; Q202-L236 HydrophobicContact CG-CD1 4.34Å; Q202-E240 HydrophobicContact CG-CG 4.21Å; Q202-E240 WeakPolarHBondContact CG-OE1 3.35Å; Q202-E240 PolarHBondContact NE2-OE1 2.92Å
203	E	97.3	Very high	97.7	Very high	127 Å²	127	36 Å²	36	59%	0.593	20%	0.202	S	C	*	.	H	α-helix	trans	-71.6	-47.2	179.2	-176.2	174.4	171.5	0	0	112.6	G199 N200 I201	G199-E203 WeakPolarHBondContact O-CB 3.38Å; G199-E203 PolarHBondContact O-N 3Å; N200-E203 PolarHBondContact O-N 3.07Å; I201-E203 VanDerWaalsContact C-N 3.28Å; I201-E203 PolarHBondContact O-N 3.22Å
204	F	97.9	Very high	97.8	Very high	13 Å²	13	35 Å²	35	6%	0.057	20%	0.197	C	C	.	.	H	α-helix	trans	-100.1	-17.2	-167.9	-63.7	-61	0	0	0	114.7	P166 Q167 A170 L183 W190 N200 I201 P206 I207 V208	P166-F204 HydrophobicContact CB-CD2 4.06Å; P166-F204 HydrophobicContact CB-CE2 4.13Å; P166-F204 HydrophobicContact CG-CE2 4.4Å; Q167-F204 HydrophobicContact CG-CZ 3.97Å; A170-F204 HydrophobicContact CB-CD1 4.06Å; A170-F204 HydrophobicContact CB-CE1 3.79Å; L183-F204 HydrophobicContact CD2-CB 3.97Å; L183-F204 HydrophobicContact CD2-CG 4.4Å; W190-F204 HydrophobicContact CH2-CB 3.75Å; W190-F204 HydrophobicContact CH2-CD2 4.12Å; W190-F204 HydrophobicContact CH2-CG 4.27Å; W190-F204 HydrophobicContact CZ3-CB 4.27Å; W190-F204 HydrophobicContact CZ3-CD2 4.12Å; N200-F204 HydrophobicContact CB-CD2 4.25Å; N200-F204 HydrophobicContact CB-CE2 4.48Å; N200-F204 WeakPolarHBondContact O-CB 3.12Å; N200-F204 VanDerWaalsContact O-CD2 3.22Å; N200-F204 WeakPolarHBondContact O-CD2 3.37Å; N200-F204 PolarHBondContact O-N 3.18Å; I201-F204 PolarHBondContact O-N 2.86Å; F204-P206 VanDerWaalsContact C-N 3.25Å; F204-P206 VanDerWaalsContact O-N 3.1Å; F204-I207 HydrophobicContact CD1-CD1 4.29Å; F204-I207 WeakPolarHBondContact O-CG1 3.23Å; F204-I207 PolarHBondContact O-N 3.04Å; F204-V208 WeakPolarHBondContact O-CG2 3.36Å; F204-V208 PolarHBondContact O-N 2.98Å
205	L	97.8	Very high	98.1	Very high	18 Å²	18	32.4 Å²	32.4	9%	0.094	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-52	-34.6	-179.3	-165.9	73.4	0	0	0	114.4	M185 I201 I207 V208 L237 E240 Y242	M185-L205 HydrophobicContact CE-CD1 4.29Å; I201-L205 WeakPolarHBondContact O-CB 3.28Å; I201-L205 PolarHBondContact O-N 2.89Å; L205-I207 PolarHBondContact O-N 2.85Å; L205-V208 HydrophobicContact CD1-CB 4.21Å; L205-V208 HydrophobicContact CD1-CG1 4.35Å; L205-V208 PolarHBondContact O-N 3.06Å; L205-L237 HydrophobicContact CD1-CD2 4.01Å; L205-E240 HydrophobicContact CD2-CB 3.3Å; L205-E240 HydrophobicContact CD2-CG 4.35Å; L205-Y242 HydrophobicContact CD1-CD2 3.91Å; L205-Y242 HydrophobicContact CD1-CG 4.35Å
206	P	97.4	Very high	98.2	Very high	113 Å²	113	32 Å²	32	73%	0.734	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-58.3	-21.3	176.6	-27.6	36.9	0	0	0	115.4	F204	F204-P206 VanDerWaalsContact C-N 3.25Å; F204-P206 VanDerWaalsContact O-N 3.1Å
207	I	98	Very high	98.2	Very high	67 Å²	67	30.7 Å²	30.7	34%	0.344	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-108.8	3.6	177.3	62.9	166	0	0	0	113	A170 L173 L183 F204 L205	A170-I207 HydrophobicContact CB-CD1 3.89Å; L173-I207 HydrophobicContact CD1-CD1 4.12Å; L183-I207 HydrophobicContact CB-CD1 4.35Å; L183-I207 HydrophobicContact CB-CG1 4.24Å; L183-I207 HydrophobicContact CD2-CD1 4.18Å; L183-I207 HydrophobicContact CD2-CG1 4.31Å; L183-I207 PolarHBondContact N-O 3.23Å; F204-I207 HydrophobicContact CD1-CD1 4.29Å; F204-I207 WeakPolarHBondContact O-CG1 3.23Å; F204-I207 PolarHBondContact O-N 3.04Å; L205-I207 PolarHBondContact O-N 2.85Å
208	V	98.6	Very high	98.1	Very high	17 Å²	17	32.9 Å²	32.9	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.8	-178	168.8	0	0	0	0	110.8	L183 M185 F204 L205 H210 V211 Y242	L183-V208 HydrophobicContact CB-CG2 4.13Å; L183-V208 HydrophobicContact CD2-CG2 4.06Å; L183-V208 HydrophobicContact CG-CG2 4.24Å; L183-V208 CarbonylContact O-C 3.51Å; L183-V208 VanDerWaalsContact O-CA 3.3Å; L183-V208 WeakPolarHBondContact O-CA 3.49Å; M185-V208 HydrophobicContact CB-CG1 3.99Å; M185-V208 HydrophobicContact CB-CG2 3.96Å; M185-V208 HydrophobicContact SD-CG2 4.4Å; F204-V208 WeakPolarHBondContact O-CG2 3.36Å; F204-V208 PolarHBondContact O-N 2.98Å; L205-V208 HydrophobicContact CD1-CB 4.21Å; L205-V208 HydrophobicContact CD1-CG1 4.35Å; L205-V208 PolarHBondContact O-N 3.06Å; V208-H210 VanDerWaalsContact CG1-O 3.25Å; V208-H210 WeakPolarHBondContact CG1-O 3.48Å; V208-V211 HydrophobicContact CG1-CG2 3.81Å; V208-Y242 HydrophobicContact CG1-CE2 4.39Å
209	G	98.3	Very high	98.1	Very high	7 Å²	7	32 Å²	32	7%	0.072	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-19.2	176.6	0	0	0	0	0	114.6	L183	L183-G209 PolarHBondContact O-N 3.05Å
210	H	98.9	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.8	179	-165.8	60.9	0	0	0	111.4	E36 L61 L148 Q184 M185 V208 Y242 F245	E36-H210 IonicContact OE2-CD2 2.77Å; E36-H210 IonicContact OE2-CE1 2.78Å; E36-H210 PolarHBondContact OE2-CE1 2.93Å; E36-H210 IonicContact OE2-NE2 3.57Å; E36-H210 PolarHBondContact OE2-NE2 3.17Å; L61-H210 VanDerWaalsContact CD2-CD2 3.5Å; L61-H210 WeakPolarHBondContact CD2-CD2 3.27Å; L148-H210 HydrophobicContact CD1-CB 3.58Å; Q184-H210 HydrophobicContact CG-CB 4.34Å; M185-H210 PolarHBondContact N-O 3.14Å; V208-H210 VanDerWaalsContact CG1-O 3.25Å; V208-H210 WeakPolarHBondContact CG1-O 3.48Å; H210-Y242 WeakPolarHBondContact CA-OH 3.47Å; H210-F245 PolarHBondContact ND1-O 3.43Å
211	V	98.9	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.1	178.9	176.5	0	0	0	0	109	M185 I187 V208 L237 Y242 V246 G247	M185-V211 HydrophobicContact CB-CG2 4.39Å; M185-V211 HydrophobicContact CE-CB 4.28Å; M185-V211 HydrophobicContact CE-CG1 3.8Å; M185-V211 HydrophobicContact CE-CG2 3.49Å; M185-V211 VanDerWaalsContact CE-CG2 3.49Å; M185-V211 CarbonylContact O-C 3.55Å; M185-V211 VanDerWaalsContact O-CA 3.28Å; M185-V211 WeakPolarHBondContact O-CA 3.24Å; I187-V211 HydrophobicContact CD1-CG1 4.28Å; V208-V211 HydrophobicContact CG1-CG2 3.81Å; V211-L237 HydrophobicContact CG1-CD1 4.13Å; V211-L237 HydrophobicContact CG2-CD2 4.5Å; V211-Y242 HydrophobicContact CB-CE1 4.04Å; V211-Y242 HydrophobicContact CG2-CD1 4.29Å; V211-Y242 HydrophobicContact CG2-CD2 4.27Å; V211-Y242 HydrophobicContact CG2-CE1 3.75Å; V211-Y242 HydrophobicContact CG2-CE2 3.75Å; V211-Y242 VanDerWaalsContact CG2-CZ 3.44Å; V211-Y242 PolarHBondContact N-OH 3.17Å; V211-Y242 VanDerWaalsContact N-OH 3.17Å; V211-V246 HydrophobicContact CB-CG2 4.42Å; V211-V246 HydrophobicContact CG1-CG1 4.33Å; V211-V246 HydrophobicContact CG1-CG2 4.41Å; V211-V246 CarbonylContact O-C 3.47Å; V211-V246 WeakPolarHBondContact O-CA 3.34Å; V211-G247 PolarHBondContact O-N 3.48Å
212	Q	98.9	Very high	98.1	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.5	171.1	-72	167.8	-49.1	0	0	111.4	E36 E150 Q184 M185 D186 I187 G247 E249	E36-Q212 PolarHBondContact OE1-NE2 3.23Å; E150-Q212 PolarHBondContact OE1-OE1 2.83Å; Q184-Q212 VanDerWaalsContact NE2-CD 3.33Å; M185-Q212 PolarHBondContact O-N 3.36Å; D186-Q212 HydrophobicContact CB-CB 4.04Å; I187-Q212 PolarHBondContact N-O 3Å; Q212-G247 CarbonylContact C-O 3.54Å; Q212-G247 VanDerWaalsContact CA-O 3.27Å; Q212-G247 WeakPolarHBondContact CA-O 3.13Å; Q212-E249 HydrophobicContact CB-CB 4.34Å; Q212-E249 HydrophobicContact CG-CB 4.37Å; Q212-E249 PolarHBondContact NE2-OE2 3.25Å; Q212-E249 PolarHBondContact OE1-OE2 3.29Å
213	V	98.9	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.189	C	C	.	.			trans	-138.9	135.8	-175.7	-64.4	0	0	0	0	113.3	I187 P222 F230 F234 V246 G247 E249	I187-V213 HydrophobicContact CD1-CG1 3.96Å; V213-P222 HydrophobicContact CG2-CG 4.06Å; V213-F230 HydrophobicContact CB-CD1 4.36Å; V213-F230 HydrophobicContact CB-CE1 3.57Å; V213-F230 HydrophobicContact CB-CZ 4.1Å; V213-F230 HydrophobicContact CG1-CD1 4.24Å; V213-F230 HydrophobicContact CG1-CE1 3.6Å; V213-F234 HydrophobicContact CG1-CE1 4.16Å; V213-V246 HydrophobicContact CB-CG1 4.34Å; V213-V246 HydrophobicContact CG1-CG1 3.64Å; V213-V246 HydrophobicContact CG2-CG1 3.76Å; V213-G247 PolarHBondContact N-O 3.12Å; V213-E249 PolarHBondContact O-N 3.47Å
214	A	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.165	C	C	.	.			trans	-152.2	151.9	162.8	0	0	0	0	0	110	F188 R219 F230 E249	F188-A214 HydrophobicContact CB-CB 4.03Å; F188-A214 HydrophobicContact CD2-CB 4.17Å; F188-A214 HydrophobicContact CG-CB 4.25Å; A214-R219 HydrophobicContact CB-CB 4.4Å; A214-R219 HydrophobicContact CB-CG 3.58Å; A214-F230 WeakPolarHBondContact O-CZ 3.36Å; A214-E249 WeakPolarHBondContact CB-O 3.36Å
215	Q	98.6	Very high	98	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.023	20%	0.195	C	C	.	.			trans	-71.5	144.4	178.2	-175.2	58.7	-95.1	0	0	112.1	R219 G220 E221 P222 S224 L228 F230	Q215-R219 WeakPolarHBondContact O-CA 3.48Å; Q215-R219 PolarHBondContact O-N 2.7Å; Q215-G220 PolarHBondContact N-O 3.41Å; Q215-E221 VanDerWaalsContact CB-O 3.22Å; Q215-E221 WeakPolarHBondContact CB-O 3.35Å; Q215-P222 PolarHBondContact NE2-O 2.9Å; Q215-S224 WeakPolarHBondContact CB-OG 3.36Å; Q215-S224 WeakPolarHBondContact CG-OG 3.36Å; Q215-L228 PolarHBondContact NE2-O 3.13Å; Q215-L228 VanDerWaalsContact OE1-CB 3.27Å; Q215-F230 HydrophobicContact CB-CE2 4.27Å
216	V	98.4	Very high	98	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	140.1	179.7	176	0	0	0	0	109.6	F188 Q191 I192 G226 E227 L228	F188-V216 HydrophobicContact CD2-CG2 3.55Å; F188-V216 HydrophobicContact CE2-CG2 4.15Å; F188-V216 HydrophobicContact CG-CG2 4.35Å; Q191-V216 HydrophobicContact CB-CG2 3.96Å; Q191-V216 HydrophobicContact CG-CB 4.19Å; Q191-V216 HydrophobicContact CG-CG1 4.06Å; Q191-V216 HydrophobicContact CG-CG2 3.91Å; I192-V216 HydrophobicContact CD1-CG1 4.48Å; I192-V216 HydrophobicContact CD1-CG2 4.47Å; I192-V216 HydrophobicContact CG1-CG1 3.93Å; I192-V216 HydrophobicContact CG1-CG2 4.31Å; V216-G226 WeakPolarHBondContact O-CA 3.47Å; V216-E227 HydrophobicContact CB-CG 3.85Å; V216-E227 VanDerWaalsContact CG1-CD 3.44Å; V216-E227 HydrophobicContact CG1-CG 3.86Å; V216-E227 PolarHBondContact O-N 2.77Å; V216-E227 VanDerWaalsContact O-N 3.12Å; V216-L228 HydrophobicContact CB-CD1 4.27Å; V216-L228 HydrophobicContact CB-CG 4.32Å; V216-L228 HydrophobicContact CG2-CD1 3.77Å; V216-L228 HydrophobicContact CG2-CG 4.33Å
217	P	96.8	Very high	98	Very high	85 Å²	85	30.9 Å²	30.9	55%	0.552	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.6	-7.2	0.9	35.4	-36	0	0	0	114.5	R219	P217-R219 VanDerWaalsContact C-N 3.29Å; P217-R219 PolarHBondContact O-N 2.6Å
218	G	96.6	Very high	98.1	Very high	59 Å²	59	28.6 Å²	28.6	61%	0.608	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.4	-167.2	0	0	0	0	0	116.5	G220	G218-G220 PolarHBondContact O-N 2.74Å
219	R	98.1	Very high	98.1	Very high	26 Å²	26	32.5 Å²	32.5	10%	0.098	21%	0.213	C	C	.	.			trans	51.8	33.1	-172	-149.3	176.4	-170.5	160.1	10.7	113.1	D186 F188 H189 A214 Q215 P217 Y250 Q251	D186-R219 IonicContact OD2-NH2 3.06Å; D186-R219 PolarHBondContact OD2-NH2 2.95Å; F188-R219 HydrophobicContact CD1-CG 4.11Å; F188-R219 HydrophobicContact CD2-CB 4.16Å; F188-R219 HydrophobicContact CD2-CG 3.93Å; F188-R219 HydrophobicContact CE1-CB 4.36Å; F188-R219 HydrophobicContact CE1-CG 3.92Å; F188-R219 HydrophobicContact CE2-CB 3.56Å; F188-R219 HydrophobicContact CE2-CG 3.75Å; F188-R219 HydrophobicContact CG-CG 4.11Å; F188-R219 HydrophobicContact CZ-CB 3.66Å; F188-R219 HydrophobicContact CZ-CG 3.72Å; H189-R219 PolarHBondContact CE1-NH2 3.38Å; H189-R219 PolarHBondContact NE2-NH2 3.46Å; A214-R219 HydrophobicContact CB-CB 4.4Å; A214-R219 HydrophobicContact CB-CG 3.58Å; Q215-R219 WeakPolarHBondContact O-CA 3.48Å; Q215-R219 PolarHBondContact O-N 2.7Å; P217-R219 VanDerWaalsContact C-N 3.29Å; P217-R219 PolarHBondContact O-N 2.6Å; R219-Y250 CarbonylContact O-C 3.52Å; R219-Y250 WeakPolarHBondContact O-CA 3.47Å; R219-Y250 VanDerWaalsContact O-CB 3.26Å; R219-Y250 WeakPolarHBondContact O-CB 3.42Å; R219-Q251 PolarHBondContact O-N 3.09Å
220	G	98.2	Very high	98.1	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	21%	0.21	C	C	.	.			trans	-92	-170.5	-179.9	0	0	0	0	0	113.2	Q215 G218 Y250	Q215-G220 PolarHBondContact N-O 3.41Å; G218-G220 PolarHBondContact O-N 2.74Å; G220-Y250 VanDerWaalsContact O-CB 3.28Å; G220-Y250 WeakPolarHBondContact O-CB 3.5Å
221	E	98.5	Very high	98	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.051	24%	0.238	C	C	.	.			trans	-53.9	147.2	178.2	-59.7	75.6	-172.6	0	0	111.1	Q215 S223 S224 Y250 P252 R253	Q215-E221 VanDerWaalsContact CB-O 3.22Å; Q215-E221 WeakPolarHBondContact CB-O 3.35Å; E221-S223 PolarHBondContact O-N 3.33Å; E221-S224 WeakPolarHBondContact O-CB 3.35Å; E221-S224 PolarHBondContact O-N 3Å; E221-S224 PolarHBondContact O-OG 3.37Å; E221-Y250 HydrophobicContact CB-CE2 4.2Å; E221-Y250 HydrophobicContact CG-CD2 4.17Å; E221-Y250 HydrophobicContact CG-CE2 3.57Å; E221-P252 WeakPolarHBondContact OE1-CA 3.33Å; E221-R253 PolarHBondContact OE1-N 3.25Å; E221-R253 VanDerWaalsContact OE2-CD 3.22Å; E221-R253 WeakPolarHBondContact OE2-CD 3.43Å; E221-R253 WeakPolarHBondContact OE2-CG 3.33Å
222	P	98.3	Very high	98	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.058	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-29.1	171.8	-33.4	38.7	0	0	0	115.3	V213 Q215 F230 F234 W262	V213-P222 HydrophobicContact CG2-CG 4.06Å; Q215-P222 PolarHBondContact NE2-O 2.9Å; P222-F230 VanDerWaalsContact CA-CD2 3.49Å; P222-F230 HydrophobicContact CB-CB 4.03Å; P222-F230 HydrophobicContact CB-CD1 4.21Å; P222-F230 HydrophobicContact CB-CD2 3.6Å; P222-F230 HydrophobicContact CB-CE2 4.06Å; P222-F230 HydrophobicContact CB-CG 3.66Å; P222-F230 VanDerWaalsContact O-CD2 3.23Å; P222-F230 WeakPolarHBondContact O-CD2 3.4Å; P222-F234 HydrophobicContact CB-CZ 4.39Å; P222-W262 HydrophobicContact CB-CD2 4.07Å; P222-W262 HydrophobicContact CB-CE3 4.11Å; P222-W262 HydrophobicContact CB-CZ3 4.4Å; P222-W262 HydrophobicContact CG-CD2 4.05Å; P222-W262 HydrophobicContact CG-CE3 4.21Å; P222-W262 HydrophobicContact CG-CH2 3.92Å; P222-W262 HydrophobicContact CG-CZ2 3.74Å; P222-W262 HydrophobicContact CG-CZ3 4.15Å
223	S	97.2	Very high	98	Very high	72 Å²	72	41.9 Å²	41.9	50%	0.503	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-5	176.4	58.6	0	0	0	0	114.8	E221 W262	E221-S223 PolarHBondContact O-N 3.33Å; S223-W262 WeakPolarHBondContact OG-CB 3.16Å
224	S	97.3	Very high	98	Very high	12 Å²	12	42.3 Å²	42.3	8%	0.084	26%	0.261	C	S	.	.	S	Bend	trans	-67.5	156.5	178.3	72	0	0	0	0	111	Q215 E221 G226	Q215-S224 WeakPolarHBondContact CB-OG 3.36Å; Q215-S224 WeakPolarHBondContact CG-OG 3.36Å; E221-S224 WeakPolarHBondContact O-CB 3.35Å; E221-S224 PolarHBondContact O-N 3Å; E221-S224 PolarHBondContact O-OG 3.37Å; S224-G226 PolarHBondContact O-N 3.34Å
225	P	96.8	Very high	97.9	Very high	107 Å²	107	45.5 Å²	45.5	70%	0.695	28%	0.276	S	S	*	.	S	Bend	trans	-55.5	130.3	173.4	-25.4	34.8	0	0	0	111.4	R253	P225-R253 VanDerWaalsContact CD-NH1 3.34Å
226	G	96.9	Very high	97.9	Very high	47 Å²	47	45.8 Å²	45.8	49%	0.485	28%	0.277	S	S	.	.	S	Bend	trans	178.1	-171.2	-179.7	0	0	0	0	0	111	V216 S224	V216-G226 WeakPolarHBondContact O-CA 3.47Å; S224-G226 PolarHBondContact O-N 3.34Å
227	E	98.1	Very high	97.9	Very high	115 Å²	115	45.6 Å²	45.6	54%	0.537	28%	0.276	S	S	.	.	S	Bend	trans	-91.6	-15.6	-173.5	61.9	-169.9	-115.1	0	0	114.3	Q191 V216	Q191-E227 WeakPolarHBondContact CG-OE1 3.37Å; Q191-E227 PolarHBondContact NE2-OE1 2.57Å; V216-E227 HydrophobicContact CB-CG 3.85Å; V216-E227 VanDerWaalsContact CG1-CD 3.44Å; V216-E227 HydrophobicContact CG1-CG 3.86Å; V216-E227 PolarHBondContact O-N 2.77Å; V216-E227 VanDerWaalsContact O-N 3.12Å
228	L	98.6	Very high	97.9	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.099	25%	0.251	C	S	.	.			trans	-93.2	132.6	-176	-60.7	-178.8	0	0	0	113.1	I187 Q191 L197 Q215 V216 F230 L233	I187-L228 HydrophobicContact CG2-CD1 3.73Å; Q191-L228 HydrophobicContact CB-CD1 4.2Å; Q191-L228 HydrophobicContact CB-CD2 4.19Å; Q191-L228 HydrophobicContact CG-CD1 4.28Å; Q191-L228 HydrophobicContact CG-CD2 3.66Å; Q191-L228 HydrophobicContact CG-CG 4.21Å; L197-L228 HydrophobicContact CD1-CD1 4.37Å; L197-L228 HydrophobicContact CD1-CD2 3.5Å; Q215-L228 PolarHBondContact NE2-O 3.13Å; Q215-L228 VanDerWaalsContact OE1-CB 3.27Å; V216-L228 HydrophobicContact CB-CD1 4.27Å; V216-L228 HydrophobicContact CB-CG 4.32Å; V216-L228 HydrophobicContact CG2-CD1 3.77Å; V216-L228 HydrophobicContact CG2-CG 4.33Å; L228-F230 HydrophobicContact CB-CD2 4.19Å; L228-F230 HydrophobicContact CB-CE2 3.87Å; L228-F230 HydrophobicContact CB-CZ 4.38Å; L228-F230 HydrophobicContact CD1-CE2 4.15Å; L228-F230 HydrophobicContact CD1-CZ 3.94Å; L228-F230 PolarHBondContact O-N 3.31Å; L228-L233 HydrophobicContact CB-CD1 4.33Å
229	N	98.5	Very high	98	Very high	99 Å²	99	42.9 Å²	42.9	53%	0.529	24%	0.243	S	C	.	.			trans	-91.1	86.6	170.3	-178.1	-1.1	0	0	0	110.5	P231 Y232 L233	N229-P231 VanDerWaalsContact OD1-CD 3.25Å; N229-P231 WeakPolarHBondContact OD1-CD 3.36Å; N229-Y232 WeakPolarHBondContact O-CB 3.48Å; N229-Y232 PolarHBondContact O-N 3.31Å; N229-Y232 VanDerWaalsContact O-N 3.17Å; N229-Y232 PolarHBondContact OD1-N 3.44Å; N229-L233 PolarHBondContact O-N 3.36Å; N229-L233 VanDerWaalsContact O-N 3.12Å
230	F	98.4	Very high	97.9	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-37.2	-179.7	-82.4	-76.8	0	0	0	115.7	I187 V213 A214 Q215 P222 L228 Y232 L233 F234	I187-F230 HydrophobicContact CG2-CE1 4.25Å; I187-F230 HydrophobicContact CG2-CZ 4.39Å; V213-F230 HydrophobicContact CB-CD1 4.36Å; V213-F230 HydrophobicContact CB-CE1 3.57Å; V213-F230 HydrophobicContact CB-CZ 4.1Å; V213-F230 HydrophobicContact CG1-CD1 4.24Å; V213-F230 HydrophobicContact CG1-CE1 3.6Å; A214-F230 WeakPolarHBondContact O-CZ 3.36Å; Q215-F230 HydrophobicContact CB-CE2 4.27Å; P222-F230 VanDerWaalsContact CA-CD2 3.49Å; P222-F230 HydrophobicContact CB-CB 4.03Å; P222-F230 HydrophobicContact CB-CD1 4.21Å; P222-F230 HydrophobicContact CB-CD2 3.6Å; P222-F230 HydrophobicContact CB-CE2 4.06Å; P222-F230 HydrophobicContact CB-CG 3.66Å; P222-F230 VanDerWaalsContact O-CD2 3.23Å; P222-F230 WeakPolarHBondContact O-CD2 3.4Å; L228-F230 HydrophobicContact CB-CD2 4.19Å; L228-F230 HydrophobicContact CB-CE2 3.87Å; L228-F230 HydrophobicContact CB-CZ 4.38Å; L228-F230 HydrophobicContact CD1-CE2 4.15Å; L228-F230 HydrophobicContact CD1-CZ 3.94Å; L228-F230 PolarHBondContact O-N 3.31Å; F230-Y232 PolarHBondContact O-N 2.81Å; F230-L233 HydrophobicContact CD1-CD1 4.2Å; F230-L233 HydrophobicContact CE1-CD1 4.23Å; F230-L233 PolarHBondContact O-N 3.09Å; F230-L233 VanDerWaalsContact O-N 3.13Å; F230-F234 HydrophobicContact CB-CD2 4.37Å; F230-F234 HydrophobicContact CB-CE2 3.93Å; F230-F234 HydrophobicContact CB-CZ 4.01Å; F230-F234 HydrophobicContact CD1-CD1 4.47Å; F230-F234 AromaticContact CD1-CE1 3.77Å; F230-F234 HydrophobicContact CD1-CE1 3.77Å; F230-F234 AromaticContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CG-CZ 4.22Å; F230-F234 WeakPolarHBondContact O-CB 3.3Å; F230-F234 WeakPolarHBondContact O-CD2 3.27Å; F230-F234 WeakPolarHBondContact O-CG 3.32Å; F230-F234 PolarHBondContact O-N 2.9Å
231	P	97.5	Very high	97.8	Very high	90 Å²	90	46.7 Å²	46.7	58%	0.584	27%	0.269	S	S	*	.	H	α-helix	trans	-51.6	-42	170.7	-30.7	35	0	0	0	113.5	N229 Q235	N229-P231 VanDerWaalsContact OD1-CD 3.25Å; N229-P231 WeakPolarHBondContact OD1-CD 3.36Å; P231-Q235 PolarHBondContact O-N 3.3Å; P231-Q235 VanDerWaalsContact O-N 3.17Å
232	Y	98.4	Very high	97.8	Very high	106 Å²	106	47.2 Å²	47.2	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-67.4	-46.9	174.6	168.9	-98.8	0	0	0	112.2	T198 N229 F230 F234 Q235 L236	T198-Y232 VanDerWaalsContact CG2-OH 3.26Å; T198-Y232 WeakPolarHBondContact CG2-OH 3.45Å; T198-Y232 WeakPolarHBondContact OG1-CE1 3.46Å; T198-Y232 PolarHBondContact OG1-OH 3.15Å; N229-Y232 WeakPolarHBondContact O-CB 3.48Å; N229-Y232 PolarHBondContact O-N 3.31Å; N229-Y232 VanDerWaalsContact O-N 3.17Å; N229-Y232 PolarHBondContact OD1-N 3.44Å; F230-Y232 PolarHBondContact O-N 2.81Å; Y232-F234 VanDerWaalsContact C-N 3.34Å; Y232-F234 PolarHBondContact O-N 3.39Å; Y232-Q235 PolarHBondContact O-N 3.5Å; Y232-L236 PolarHBondContact O-N 2.95Å
233	L	98.7	Very high	97.7	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-37.5	-179.3	-63.6	174.3	0	0	0	112.6	I187 L197 I201 L228 N229 F230 L236 L237	I187-L233 HydrophobicContact CG2-CD1 4.04Å; L197-L233 HydrophobicContact CB-CD2 4.08Å; L197-L233 HydrophobicContact CD1-CD1 3.92Å; L197-L233 HydrophobicContact CD1-CD2 4.06Å; I201-L233 HydrophobicContact CD1-CD2 4.15Å; L228-L233 HydrophobicContact CB-CD1 4.33Å; N229-L233 PolarHBondContact O-N 3.36Å; N229-L233 VanDerWaalsContact O-N 3.12Å; F230-L233 HydrophobicContact CD1-CD1 4.2Å; F230-L233 HydrophobicContact CE1-CD1 4.23Å; F230-L233 PolarHBondContact O-N 3.09Å; F230-L233 VanDerWaalsContact O-N 3.13Å; L233-L236 PolarHBondContact O-N 3.47Å; L233-L237 WeakPolarHBondContact O-CG 3.14Å; L233-L237 PolarHBondContact O-N 3.47Å
234	F	98.4	Very high	97.6	Very high	10 Å²	10	50.5 Å²	50.5	4%	0.044	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-42.7	174.2	-65.3	-25.5	0	0	0	111.6	L4 F6 V213 P222 F230 Y232 L236 L237 E238 V246 W262 Y266	L4-F234 HydrophobicContact CD1-CB 3.66Å; L4-F234 HydrophobicContact CD1-CD1 3.78Å; L4-F234 HydrophobicContact CD1-CG 3.91Å; F6-F234 HydrophobicContact CE1-CE1 4.06Å; F6-F234 HydrophobicContact CE1-CE2 4.49Å; F6-F234 AromaticContact CE1-CZ 3.95Å; F6-F234 HydrophobicContact CE1-CZ 3.95Å; F6-F234 HydrophobicContact CZ-CE1 4.34Å; F6-F234 HydrophobicContact CZ-CE2 4.35Å; F6-F234 HydrophobicContact CZ-CZ 4.22Å; V213-F234 HydrophobicContact CG1-CE1 4.16Å; P222-F234 HydrophobicContact CB-CZ 4.39Å; F230-F234 HydrophobicContact CB-CD2 4.37Å; F230-F234 HydrophobicContact CB-CE2 3.93Å; F230-F234 HydrophobicContact CB-CZ 4.01Å; F230-F234 HydrophobicContact CD1-CD1 4.47Å; F230-F234 AromaticContact CD1-CE1 3.77Å; F230-F234 HydrophobicContact CD1-CE1 3.77Å; F230-F234 AromaticContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CG-CZ 4.22Å; F230-F234 WeakPolarHBondContact O-CB 3.3Å; F230-F234 WeakPolarHBondContact O-CD2 3.27Å; F230-F234 WeakPolarHBondContact O-CG 3.32Å; F230-F234 PolarHBondContact O-N 2.9Å; Y232-F234 VanDerWaalsContact C-N 3.34Å; Y232-F234 PolarHBondContact O-N 3.39Å; F234-L236 VanDerWaalsContact C-N 3.31Å; F234-L236 PolarHBondContact O-N 2.94Å; F234-L237 PolarHBondContact O-N 3.34Å; F234-E238 WeakPolarHBondContact O-CG 3.35Å; F234-E238 PolarHBondContact O-N 3.08Å; F234-V246 HydrophobicContact CE1-CG1 4.44Å; F234-W262 HydrophobicContact CE2-CE3 4.1Å; F234-W262 AromaticContact CE2-CZ3 3.72Å; F234-W262 HydrophobicContact CE2-CZ3 3.72Å; F234-W262 HydrophobicContact CZ-CE3 4.37Å; F234-W262 HydrophobicContact CZ-CH2 4.36Å; F234-W262 AromaticContact CZ-CZ3 3.68Å; F234-W262 HydrophobicContact CZ-CZ3 3.68Å; F234-Y266 HydrophobicContact CB-CE2 4.27Å; F234-Y266 HydrophobicContact CD2-CD2 4.08Å; F234-Y266 HydrophobicContact CD2-CE2 4.32Å
235	Q	97.8	Very high	97.6	Very high	67 Å²	67	50.4 Å²	50.4	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-43.5	174.4	-169	59.6	68.7	0	0	110.8	P231 Y232 L237 E238 D239	P231-Q235 PolarHBondContact O-N 3.3Å; P231-Q235 VanDerWaalsContact O-N 3.17Å; Y232-Q235 PolarHBondContact O-N 3.5Å; Q235-L237 PolarHBondContact O-N 2.88Å; Q235-E238 PolarHBondContact NE2-OE2 3.43Å; Q235-E238 WeakPolarHBondContact O-CB 3.37Å; Q235-E238 PolarHBondContact O-N 3.31Å; Q235-E238 VanDerWaalsContact O-N 3.14Å; Q235-D239 PolarHBondContact NE2-OD1 3.13Å; Q235-D239 WeakPolarHBondContact O-CB 3.2Å; Q235-D239 PolarHBondContact O-N 3.03Å
236	L	98.6	Very high	97.7	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-44.7	176.5	179.4	64.8	0	0	0	112.3	T198 I201 Q202 Y232 L233 F234 E238 D239 E240	T198-L236 HydrophobicContact CG2-CD1 4.38Å; T198-L236 HydrophobicContact CG2-CD2 4.03Å; I201-L236 HydrophobicContact CB-CD2 4.02Å; I201-L236 HydrophobicContact CD1-CD2 3.83Å; I201-L236 HydrophobicContact CG2-CD2 3.97Å; I201-L236 HydrophobicContact CG2-CG 4.14Å; Q202-L236 HydrophobicContact CG-CD1 4.34Å; Y232-L236 PolarHBondContact O-N 2.95Å; L233-L236 PolarHBondContact O-N 3.47Å; F234-L236 VanDerWaalsContact C-N 3.31Å; F234-L236 PolarHBondContact O-N 2.94Å; L236-E238 VanDerWaalsContact C-N 3.3Å; L236-E238 PolarHBondContact O-N 3.31Å; L236-D239 PolarHBondContact O-N 3.44Å; L236-E240 HydrophobicContact CD1-CG 3.99Å; L236-E240 HydrophobicContact CG-CG 4.41Å; L236-E240 WeakPolarHBondContact O-CB 3.37Å; L236-E240 WeakPolarHBondContact O-CG 3.38Å; L236-E240 PolarHBondContact O-N 2.79Å
237	L	98.4	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-37.8	176.6	-71	171.7	0	0	0	112.5	L4 M185 I201 L205 V211 L233 F234 Q235 G241 Y242 V246	L4-L237 HydrophobicContact CD1-CB 4.33Å; L4-L237 HydrophobicContact CD1-CD1 4.4Å; L4-L237 HydrophobicContact CD2-CB 3.96Å; M185-L237 HydrophobicContact CE-CD2 3.64Å; I201-L237 HydrophobicContact CG2-CD2 4.09Å; L205-L237 HydrophobicContact CD1-CD2 4.01Å; V211-L237 HydrophobicContact CG1-CD1 4.13Å; V211-L237 HydrophobicContact CG2-CD2 4.5Å; L233-L237 WeakPolarHBondContact O-CG 3.14Å; L233-L237 PolarHBondContact O-N 3.47Å; F234-L237 PolarHBondContact O-N 3.34Å; Q235-L237 PolarHBondContact O-N 2.88Å; L237-G241 PolarHBondContact O-N 3.17Å; L237-Y242 WeakPolarHBondContact O-CB 3.23Å; L237-Y242 PolarHBondContact O-N 2.82Å; L237-V246 HydrophobicContact CD1-CG2 4.39Å
238	E	97.3	Very high	97.9	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-40.7	174.1	-66.9	175.8	174	0	0	112.1	M1 L4 F234 Q235 L236 G241 Y266 R270	M1-E238 HydrophobicContact CB-CB 4.19Å; L4-E238 HydrophobicContact CD1-CG 4.42Å; L4-E238 HydrophobicContact CD2-CG 4.05Å; L4-E238 HydrophobicContact CG-CG 3.81Å; F234-E238 WeakPolarHBondContact O-CG 3.35Å; F234-E238 PolarHBondContact O-N 3.08Å; Q235-E238 PolarHBondContact NE2-OE2 3.43Å; Q235-E238 WeakPolarHBondContact O-CB 3.37Å; Q235-E238 PolarHBondContact O-N 3.31Å; Q235-E238 VanDerWaalsContact O-N 3.14Å; L236-E238 VanDerWaalsContact C-N 3.3Å; L236-E238 PolarHBondContact O-N 3.31Å; E238-G241 WeakPolarHBondContact O-CA 3.5Å; E238-G241 PolarHBondContact O-N 3.22Å; E238-Y266 PolarHBondContact OE1-OH 3.47Å; E238-R270 IonicContact OE1-CZ 3.31Å; E238-R270 IonicContact OE1-NE 3.15Å; E238-R270 PolarHBondContact OE1-NE 3.44Å; E238-R270 IonicContact OE1-NH2 3.39Å; E238-R270 IonicContact OE2-CZ 3.78Å; E238-R270 IonicContact OE2-NE 3.19Å; E238-R270 PolarHBondContact OE2-NE 3.05Å; E238-R270 IonicContact OE2-NH2 3.62Å; E238-R270 PolarHBondContact OE2-NH2 2.8Å
239	D	97.3	Very high	97.9	Very high	83 Å²	83	37.5 Å²	37.5	44%	0.444	20%	0.195	S	C	.	.	H	α-helix	trans	-63.3	-45.3	179.8	-67.8	4.9	0	0	0	111.6	M1 Q235 L236 G241	M1-D239 HydrophobicContact CE-CB 4.47Å; M1-D239 WeakPolarHBondContact CE-OD1 3.4Å; M1-D239 WeakPolarHBondContact SD-CA 3.23Å; M1-D239 HydrophobicContact SD-CB 4.34Å; Q235-D239 PolarHBondContact NE2-OD1 3.13Å; Q235-D239 WeakPolarHBondContact O-CB 3.2Å; Q235-D239 PolarHBondContact O-N 3.03Å; L236-D239 PolarHBondContact O-N 3.44Å; D239-G241 PolarHBondContact O-N 3.11Å
240	E	97.6	Very high	97.9	Very high	81 Å²	81	32.8 Å²	32.8	38%	0.379	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.9	174.2	-59.8	-60	149.3	0	0	112.5	Q202 L205 L236	Q202-E240 HydrophobicContact CG-CG 4.21Å; Q202-E240 WeakPolarHBondContact CG-OE1 3.35Å; Q202-E240 PolarHBondContact NE2-OE1 2.92Å; L205-E240 HydrophobicContact CD2-CB 3.3Å; L205-E240 HydrophobicContact CD2-CG 4.35Å; L236-E240 HydrophobicContact CD1-CG 3.99Å; L236-E240 HydrophobicContact CG-CG 4.41Å; L236-E240 WeakPolarHBondContact O-CB 3.37Å; L236-E240 WeakPolarHBondContact O-CG 3.38Å; L236-E240 PolarHBondContact O-N 2.79Å
241	G	96.3	Very high	97.9	Very high	30 Å²	30	38.3 Å²	38.3	31%	0.309	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	20.1	168.2	0	0	0	0	0	115.6	L237 E238 D239 K243	L237-G241 PolarHBondContact O-N 3.17Å; E238-G241 WeakPolarHBondContact O-CA 3.5Å; E238-G241 PolarHBondContact O-N 3.22Å; D239-G241 PolarHBondContact O-N 3.11Å; G241-K243 WeakPolarHBondContact O-CD 3.38Å; G241-K243 WeakPolarHBondContact O-CE 3.48Å; G241-K243 WeakPolarHBondContact O-CG 3.43Å; G241-K243 PolarHBondContact O-N 3.43Å
242	Y	97.8	Very high	97.9	Very high	22 Å²	22	34.7 Å²	34.7	9%	0.086	17%	0.172	C	C	.	.			trans	-55.2	132	177.7	-176.6	-115	0	0	0	111.8	L4 L205 V208 H210 V211 L237 G244 F245 V246	L4-Y242 HydrophobicContact CD2-CD1 4.15Å; L205-Y242 HydrophobicContact CD1-CD2 3.91Å; L205-Y242 HydrophobicContact CD1-CG 4.35Å; V208-Y242 HydrophobicContact CG1-CE2 4.39Å; H210-Y242 WeakPolarHBondContact CA-OH 3.47Å; V211-Y242 HydrophobicContact CB-CE1 4.04Å; V211-Y242 HydrophobicContact CG2-CD1 4.29Å; V211-Y242 HydrophobicContact CG2-CD2 4.27Å; V211-Y242 HydrophobicContact CG2-CE1 3.75Å; V211-Y242 HydrophobicContact CG2-CE2 3.75Å; V211-Y242 VanDerWaalsContact CG2-CZ 3.44Å; V211-Y242 PolarHBondContact N-OH 3.17Å; V211-Y242 VanDerWaalsContact N-OH 3.17Å; L237-Y242 WeakPolarHBondContact O-CB 3.23Å; L237-Y242 PolarHBondContact O-N 2.82Å; Y242-G244 VanDerWaalsContact CE1-C 3.45Å; Y242-G244 WeakPolarHBondContact CE1-O 3.36Å; Y242-G244 VanDerWaalsContact CZ-CA 3.42Å; Y242-G244 WeakPolarHBondContact OH-CA 3.47Å; Y242-F245 WeakPolarHBondContact CE1-O 3.39Å; Y242-F245 PolarHBondContact OH-N 2.94Å; Y242-F245 PolarHBondContact OH-O 2.8Å; Y242-V246 HydrophobicContact CD1-CG2 4.35Å; Y242-V246 HydrophobicContact CE1-CG2 3.95Å
243	K	94.9	Very high	97.8	Very high	133 Å²	133	38.1 Å²	38.1	58%	0.578	18%	0.184	S	C	*	.			trans	-117.9	-7.7	-176.5	-56.2	-55.1	175.1	-157.8	0	114.5	G241	G241-K243 WeakPolarHBondContact O-CD 3.38Å; G241-K243 WeakPolarHBondContact O-CE 3.48Å; G241-K243 WeakPolarHBondContact O-CG 3.43Å; G241-K243 PolarHBondContact O-N 3.43Å
244	G	96.1	Very high	97.6	Very high	17 Å²	17	40.2 Å²	40.2	18%	0.175	21%	0.207	C	C	.	.	S	Bend	trans	-74.8	-170.4	179	0	0	0	0	0	112.5	Y242	Y242-G244 VanDerWaalsContact CE1-C 3.45Å; Y242-G244 WeakPolarHBondContact CE1-O 3.36Å; Y242-G244 VanDerWaalsContact CZ-CA 3.42Å; Y242-G244 WeakPolarHBondContact OH-CA 3.47Å
245	F	97.9	Very high	97.6	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.044	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	149	172.6	-73.8	-84.6	0	0	0	110.9	R5 E33 A34 V60 H210 Y242	R5-F245 HydrophobicContact CB-CD1 3.58Å; R5-F245 HydrophobicContact CB-CE1 3.72Å; R5-F245 HydrophobicContact CB-CG 4.35Å; R5-F245 CarbonylContact O-C 3.54Å; R5-F245 WeakPolarHBondContact O-CA 3.37Å; E33-F245 HydrophobicContact CG-CE1 3.94Å; E33-F245 HydrophobicContact CG-CZ 4.44Å; E33-F245 WeakPolarHBondContact OE1-CE1 3.26Å; E33-F245 WeakPolarHBondContact OE1-CZ 3.28Å; A34-F245 HydrophobicContact CB-CD1 3.7Å; A34-F245 HydrophobicContact CB-CE1 3.27Å; A34-F245 HydrophobicContact CB-CE2 4.16Å; A34-F245 HydrophobicContact CB-CG 4.29Å; A34-F245 HydrophobicContact CB-CZ 3.48Å; A34-F245 VanDerWaalsContact CB-CZ 3.48Å; V60-F245 HydrophobicContact CB-CD2 4.18Å; V60-F245 HydrophobicContact CG1-CD2 3.61Å; V60-F245 HydrophobicContact CG1-CE2 3.52Å; V60-F245 HydrophobicContact CG1-CG 4.27Å; V60-F245 HydrophobicContact CG1-CZ 4.13Å; H210-F245 PolarHBondContact ND1-O 3.43Å; Y242-F245 WeakPolarHBondContact CE1-O 3.39Å; Y242-F245 PolarHBondContact OH-N 2.94Å; Y242-F245 PolarHBondContact OH-O 2.8Å
246	V	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	108.6	168.3	-179.5	0	0	0	0	107.8	L4 R5 F6 S7 V211 V213 F234 L237 Y242	L4-V246 HydrophobicContact CB-CG2 4.45Å; L4-V246 HydrophobicContact CD1-CG2 4.3Å; L4-V246 HydrophobicContact CD2-CG2 4.41Å; R5-V246 PolarHBondContact O-N 3.26Å; F6-V246 VanDerWaalsContact CA-O 3.28Å; F6-V246 WeakPolarHBondContact CA-O 3.1Å; F6-V246 HydrophobicContact CD1-CB 3.78Å; F6-V246 HydrophobicContact CD1-CG1 3.97Å; F6-V246 HydrophobicContact CE1-CB 3.87Å; F6-V246 HydrophobicContact CE1-CG1 3.83Å; S7-V246 PolarHBondContact N-O 3.13Å; V211-V246 HydrophobicContact CB-CG2 4.42Å; V211-V246 HydrophobicContact CG1-CG1 4.33Å; V211-V246 HydrophobicContact CG1-CG2 4.41Å; V211-V246 CarbonylContact O-C 3.47Å; V211-V246 WeakPolarHBondContact O-CA 3.34Å; V213-V246 HydrophobicContact CB-CG1 4.34Å; V213-V246 HydrophobicContact CG1-CG1 3.64Å; V213-V246 HydrophobicContact CG2-CG1 3.76Å; F234-V246 HydrophobicContact CE1-CG1 4.44Å; L237-V246 HydrophobicContact CD1-CG2 4.39Å; Y242-V246 HydrophobicContact CD1-CG2 4.35Å; Y242-V246 HydrophobicContact CE1-CG2 3.95Å
247	G	98.8	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.5	178.9	0	0	0	0	0	112.6	S7 E36 V211 Q212 V213 E249	S7-G247 VanDerWaalsContact OG-CA 3.29Å; S7-G247 WeakPolarHBondContact OG-CA 3.34Å; E36-G247 VanDerWaalsContact OE2-CA 3.27Å; E36-G247 WeakPolarHBondContact OE2-CA 3.48Å; V211-G247 PolarHBondContact O-N 3.48Å; Q212-G247 CarbonylContact C-O 3.54Å; Q212-G247 VanDerWaalsContact CA-O 3.27Å; Q212-G247 WeakPolarHBondContact CA-O 3.13Å; V213-G247 PolarHBondContact N-O 3.12Å; G247-E249 VanDerWaalsContact C-N 3.29Å; G247-E249 PolarHBondContact O-N 3.42Å
248	C	98.8	Very high	97.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	71.9	175.3	-63.8	0	0	0	0	110.2	S7 N9 L13 Y250	S7-C248 WeakPolarHBondContact O-CB 3.41Å; S7-C248 PolarHBondContact O-N 2.72Å; N9-C248 WeakPolarHBondContact CB-O 3.35Å; L13-C248 HydrophobicContact CD1-CB 3.76Å; C248-Y250 HydrophobicContact CB-CD1 4.1Å; C248-Y250 HydrophobicContact CB-CE1 3.7Å; C248-Y250 PolarHBondContact O-N 3.42Å
249	E	98.8	Very high	97.5	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.075	27%	0.265	C	S	.	.			trans	-93.7	69.7	-178.7	-167.5	173.4	-155.7	0	0	112.3	N9 W12 Q212 V213 A214 G247	N9-E249 HydrophobicContact CB-CB 4.13Å; N9-E249 HydrophobicContact CB-CG 4.34Å; N9-E249 VanDerWaalsContact ND2-CG 3.32Å; N9-E249 WeakPolarHBondContact ND2-CG 3.33Å; N9-E249 PolarHBondContact ND2-OE1 3.38Å; W12-E249 HydrophobicContact CD2-CG 4.35Å; W12-E249 HydrophobicContact CG-CG 3.91Å; W12-E249 VanDerWaalsContact NE1-CG 3.32Å; W12-E249 PolarHBondContact NE1-OE1 2.95Å; Q212-E249 HydrophobicContact CB-CB 4.34Å; Q212-E249 HydrophobicContact CG-CB 4.37Å; Q212-E249 PolarHBondContact NE2-OE2 3.25Å; Q212-E249 PolarHBondContact OE1-OE2 3.29Å; V213-E249 PolarHBondContact O-N 3.47Å; A214-E249 WeakPolarHBondContact CB-O 3.36Å; G247-E249 VanDerWaalsContact C-N 3.29Å; G247-E249 PolarHBondContact O-N 3.42Å
250	Y	98.8	Very high	97.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.			trans	-135	156.4	-179.6	65.3	-102.6	0	0	0	111.7	W12 L13 R219 G220 E221 C248 P252 L260 W262	W12-Y250 WeakPolarHBondContact CB-O 3.33Å; L13-Y250 HydrophobicContact CD2-CD1 4.42Å; L13-Y250 HydrophobicContact CD2-CD2 3.8Å; L13-Y250 HydrophobicContact CD2-CE1 4.12Å; L13-Y250 HydrophobicContact CD2-CE2 3.4Å; L13-Y250 HydrophobicContact CD2-CG 4.27Å; L13-Y250 WeakPolarHBondContact CD2-O 3.48Å; R219-Y250 CarbonylContact O-C 3.52Å; R219-Y250 WeakPolarHBondContact O-CA 3.47Å; R219-Y250 VanDerWaalsContact O-CB 3.26Å; R219-Y250 WeakPolarHBondContact O-CB 3.42Å; G220-Y250 VanDerWaalsContact O-CB 3.28Å; G220-Y250 WeakPolarHBondContact O-CB 3.5Å; E221-Y250 HydrophobicContact CB-CE2 4.2Å; E221-Y250 HydrophobicContact CG-CD2 4.17Å; E221-Y250 HydrophobicContact CG-CE2 3.57Å; C248-Y250 HydrophobicContact CB-CD1 4.1Å; C248-Y250 HydrophobicContact CB-CE1 3.7Å; C248-Y250 PolarHBondContact O-N 3.42Å; Y250-P252 HydrophobicContact CE2-CG 4.36Å; Y250-P252 WeakPolarHBondContact O-CD 3.25Å; Y250-L260 WeakPolarHBondContact OH-CD2 3.22Å; Y250-W262 HydrophobicContact CE1-CZ2 4.02Å; Y250-W262 AromaticContact CZ-NE1 3.94Å; Y250-W262 PolarHBondContact OH-NE1 3.39Å
251	Q	98.3	Very high	97.4	Very high	120 Å²	120	45.2 Å²	45.2	56%	0.561	25%	0.245	S	C	*	.			trans	-81.9	118.3	171.9	-175.4	172.4	-2.8	0	0	109.9	W12 R219 R253	W12-Q251 HydrophobicContact CE3-CB 4Å; W12-Q251 HydrophobicContact CZ3-CB 4.07Å; R219-Q251 PolarHBondContact O-N 3.09Å; Q251-R253 PolarHBondContact O-N 3.4Å
252	P	98.1	Very high	97.5	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.091	23%	0.234	C	C	.	.			trans	-58.2	138.4	173.9	-24.1	35.1	0	0	0	111.3	W12 L13 E221 Y250 G254 T256	W12-P252 WeakPolarHBondContact O-CD 3.44Å; L13-P252 HydrophobicContact CD2-CG 3.71Å; E221-P252 WeakPolarHBondContact OE1-CA 3.33Å; Y250-P252 HydrophobicContact CE2-CG 4.36Å; Y250-P252 WeakPolarHBondContact O-CD 3.25Å; P252-G254 VanDerWaalsContact C-N 3.28Å; P252-T256 HydrophobicContact CG-CG2 4.15Å
253	R	96.1	Very high	97.5	Very high	178 Å²	178	43.7 Å²	43.7	67%	0.672	23%	0.23	S	C	*	.	S	Bend	trans	-76.7	-17.8	177.2	-72.8	177.5	65.6	-155.5	-0.2	113.3	E221 P225 Q251	E221-R253 PolarHBondContact OE1-N 3.25Å; E221-R253 VanDerWaalsContact OE2-CD 3.22Å; E221-R253 WeakPolarHBondContact OE2-CD 3.43Å; E221-R253 WeakPolarHBondContact OE2-CG 3.33Å; P225-R253 VanDerWaalsContact CD-NH1 3.34Å; Q251-R253 PolarHBondContact O-N 3.4Å
254	G	95.7	Very high	97.5	Very high	50 Å²	50	41.9 Å²	41.9	52%	0.515	22%	0.22	S	C	.	.	S	Bend	trans	-158.6	-140.1	-178.5	0	0	0	0	0	110	P252 T256	P252-G254 VanDerWaalsContact C-N 3.28Å; G254-T256 PolarHBondContact O-N 2.75Å
255	D	97.3	Very high	97.4	Very high	73 Å²	73	43.3 Å²	43.3	39%	0.39	23%	0.227	S	C	.	.			trans	-58	129.9	172.1	179.4	-87.6	0	0	0	110.8	V257 E258 G259	D255-V257 VanDerWaalsContact C-N 3.35Å; D255-V257 PolarHBondContact O-N 2.89Å; D255-V257 WeakPolarHBondContact OD1-CA 3.46Å; D255-V257 WeakPolarHBondContact OD1-CB 3.34Å; D255-V257 PolarHBondContact OD1-N 3.27Å; D255-E258 HydrophobicContact CB-CB 4.12Å; D255-E258 HydrophobicContact CB-CG 4.06Å; D255-E258 PolarHBondContact OD1-N 3.05Å; D255-G259 PolarHBondContact O-N 3.18Å
256	T	98.1	Very high	97.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-43.4	-174.1	-57.4	0	0	0	0	111	L13 F14 E16 P252 G254 G259 L260	L13-T256 HydrophobicContact CB-CG2 4.09Å; L13-T256 HydrophobicContact CD2-CG2 4.37Å; F14-T256 WeakPolarHBondContact CA-OG1 3.23Å; F14-T256 HydrophobicContact CD1-CG2 3.6Å; F14-T256 HydrophobicContact CD2-CG2 4.34Å; F14-T256 HydrophobicContact CE1-CG2 3.56Å; F14-T256 HydrophobicContact CE2-CG2 4.3Å; F14-T256 HydrophobicContact CG-CG2 4.01Å; F14-T256 HydrophobicContact CZ-CG2 3.93Å; F14-T256 PolarHBondContact N-OG1 2.8Å; F14-T256 VanDerWaalsContact N-OG1 3.16Å; E16-T256 WeakPolarHBondContact OE1-CB 3.43Å; E16-T256 PolarHBondContact OE1-N 2.92Å; E16-T256 PolarHBondContact OE1-OG1 3.16Å; E16-T256 PolarHBondContact OE2-OG1 3Å; P252-T256 HydrophobicContact CG-CG2 4.15Å; G254-T256 PolarHBondContact O-N 2.75Å; T256-G259 PolarHBondContact O-N 3.45Å; T256-L260 WeakPolarHBondContact O-CG 3.22Å; T256-L260 PolarHBondContact O-N 3.18Å
257	V	97.6	Very high	97.2	Very high	63 Å²	63	44.9 Å²	44.9	38%	0.382	23%	0.233	S	C	.	.	H	α-helix	trans	-70.3	-40.4	-173.8	178.4	0	0	0	0	111.2	F14 D255 G259 L260 R264	F14-V257 HydrophobicContact CE1-CG2 4.02Å; D255-V257 VanDerWaalsContact C-N 3.35Å; D255-V257 PolarHBondContact O-N 2.89Å; D255-V257 WeakPolarHBondContact OD1-CA 3.46Å; D255-V257 WeakPolarHBondContact OD1-CB 3.34Å; D255-V257 PolarHBondContact OD1-N 3.27Å; V257-G259 VanDerWaalsContact C-N 3.31Å; V257-L260 PolarHBondContact O-N 3.32Å; V257-R264 PolarHBondContact O-NH1 2.95Å; V257-R264 PolarHBondContact O-NH2 3.1Å; V257-R264 VanDerWaalsContact O-NH2 3.13Å
258	E	96.6	Very high	96.9	Very high	148 Å²	148	51.5 Å²	51.5	69%	0.692	27%	0.268	S	S	*	.	H	α-helix	trans	-60.4	-42.8	172.1	-67.5	-176.3	171	0	0	110.9	D255 L260 S261 R264	D255-E258 HydrophobicContact CB-CB 4.12Å; D255-E258 HydrophobicContact CB-CG 4.06Å; D255-E258 PolarHBondContact OD1-N 3.05Å; E258-L260 PolarHBondContact O-N 2.86Å; E258-S261 PolarHBondContact O-N 3.26Å; E258-R264 PolarHBondContact O-NH2 3.09Å
259	G	97.2	Very high	96.6	Very high	16 Å²	16	59.6 Å²	59.6	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-22.3	177.8	0	0	0	0	0	115.2	D255 T256 V257 S261 W262	D255-G259 PolarHBondContact O-N 3.18Å; T256-G259 PolarHBondContact O-N 3.45Å; V257-G259 VanDerWaalsContact C-N 3.31Å; G259-S261 PolarHBondContact O-N 3.06Å; G259-S261 VanDerWaalsContact O-N 3.07Å; G259-W262 VanDerWaalsContact O-CD1 3.3Å
260	L	97.9	Very high	96.2	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	11.1	-179.7	-68.9	170.7	0	0	0	115	F14 F32 Y250 T256 V257 E258 W262 L263 R264	F14-L260 HydrophobicContact CZ-CD1 4.33Å; F32-L260 HydrophobicContact CE2-CD1 3.8Å; F32-L260 HydrophobicContact CE2-CD2 3.91Å; F32-L260 HydrophobicContact CZ-CD2 3.79Å; Y250-L260 WeakPolarHBondContact OH-CD2 3.22Å; T256-L260 WeakPolarHBondContact O-CG 3.22Å; T256-L260 PolarHBondContact O-N 3.18Å; V257-L260 PolarHBondContact O-N 3.32Å; E258-L260 PolarHBondContact O-N 2.86Å; L260-W262 PolarHBondContact O-N 3.45Å; L260-L263 HydrophobicContact CD2-CD2 4.14Å; L260-L263 PolarHBondContact O-N 3.38Å; L260-L263 VanDerWaalsContact O-N 3.09Å; L260-R264 PolarHBondContact O-N 3.17Å; L260-R264 VanDerWaalsContact O-N 3.1Å
261	S	96.4	Very high	95.4	Very high	57 Å²	57	64.7 Å²	64.7	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-57.3	-32.5	178.4	62.6	0	0	0	0	113.6	E258 G259 L263 S265	E258-S261 PolarHBondContact O-N 3.26Å; G259-S261 PolarHBondContact O-N 3.06Å; G259-S261 VanDerWaalsContact O-N 3.07Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-S265 WeakPolarHBondContact O-CB 3.43Å; S261-S265 PolarHBondContact O-N 2.77Å; S261-S265 PolarHBondContact O-OG 2.99Å
262	W	97.4	Very high	94.3	Very high	18 Å²	18	63.2 Å²	63.2	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-38.8	176.8	72.7	-93.6	0	0	0	112.5	F6 P222 S223 F234 Y250 G259 L260 Y266	F6-W262 AromaticContact CD1-CH2 3.8Å; F6-W262 HydrophobicContact CD1-CH2 3.8Å; F6-W262 HydrophobicContact CD1-CZ3 4.26Å; F6-W262 AromaticContact CE1-CH2 3.69Å; F6-W262 HydrophobicContact CE1-CH2 3.69Å; F6-W262 AromaticContact CE1-CZ3 3.73Å; F6-W262 HydrophobicContact CE1-CZ3 3.73Å; F6-W262 HydrophobicContact CZ-CH2 4.48Å; F6-W262 HydrophobicContact CZ-CZ3 4.13Å; P222-W262 HydrophobicContact CB-CD2 4.07Å; P222-W262 HydrophobicContact CB-CE3 4.11Å; P222-W262 HydrophobicContact CB-CZ3 4.4Å; P222-W262 HydrophobicContact CG-CD2 4.05Å; P222-W262 HydrophobicContact CG-CE3 4.21Å; P222-W262 HydrophobicContact CG-CH2 3.92Å; P222-W262 HydrophobicContact CG-CZ2 3.74Å; P222-W262 HydrophobicContact CG-CZ3 4.15Å; S223-W262 WeakPolarHBondContact OG-CB 3.16Å; F234-W262 HydrophobicContact CE2-CE3 4.1Å; F234-W262 AromaticContact CE2-CZ3 3.72Å; F234-W262 HydrophobicContact CE2-CZ3 3.72Å; F234-W262 HydrophobicContact CZ-CE3 4.37Å; F234-W262 HydrophobicContact CZ-CH2 4.36Å; F234-W262 AromaticContact CZ-CZ3 3.68Å; F234-W262 HydrophobicContact CZ-CZ3 3.68Å; Y250-W262 HydrophobicContact CE1-CZ2 4.02Å; Y250-W262 AromaticContact CZ-NE1 3.94Å; Y250-W262 PolarHBondContact OH-NE1 3.39Å; G259-W262 VanDerWaalsContact O-CD1 3.3Å; L260-W262 PolarHBondContact O-N 3.45Å; W262-Y266 PolarHBondContact O-N 3.01Å
263	L	96.8	Very high	92.7	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-74.6	-43.3	-178.6	-177.4	59.3	0	0	0	110.5	F6 F32 L260 S261 S265 Y266 W267	F6-L263 HydrophobicContact CB-CD1 4.02Å; F6-L263 HydrophobicContact CD1-CD1 4.01Å; F6-L263 HydrophobicContact CD2-CD1 3.42Å; F6-L263 VanDerWaalsContact CD2-CD1 3.42Å; F6-L263 HydrophobicContact CE1-CD1 4.35Å; F6-L263 HydrophobicContact CE2-CD1 3.82Å; F6-L263 HydrophobicContact CG-CD1 3.53Å; F6-L263 HydrophobicContact CZ-CD1 4.26Å; F32-L263 HydrophobicContact CD1-CD2 4.32Å; F32-L263 HydrophobicContact CE1-CD2 3.49Å; F32-L263 VanDerWaalsContact CE1-CD2 3.49Å; F32-L263 HydrophobicContact CE2-CD2 4.05Å; F32-L263 HydrophobicContact CZ-CD2 3.33Å; L260-L263 HydrophobicContact CD2-CD2 4.14Å; L260-L263 PolarHBondContact O-N 3.38Å; L260-L263 VanDerWaalsContact O-N 3.09Å; S261-L263 VanDerWaalsContact C-N 3.35Å; L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 3.38Å; L263-Y266 WeakPolarHBondContact O-CA 3.45Å; L263-Y266 WeakPolarHBondContact O-CB 3.36Å; L263-Y266 PolarHBondContact O-N 2.88Å; L263-W267 HydrophobicContact CD1-CD2 4.27Å; L263-W267 HydrophobicContact CD1-CH2 4.3Å; L263-W267 HydrophobicContact CD1-CZ2 3.78Å; L263-W267 HydrophobicContact CD2-CH2 3.37Å; L263-W267 HydrophobicContact CD2-CZ2 3.59Å; L263-W267 HydrophobicContact CD2-CZ3 3.96Å; L263-W267 HydrophobicContact CG-CD2 4.06Å; L263-W267 HydrophobicContact CG-CE3 4.03Å; L263-W267 HydrophobicContact CG-CH2 3.59Å; L263-W267 HydrophobicContact CG-CZ2 3.59Å; L263-W267 HydrophobicContact CG-CZ3 3.8Å; L263-W267 PolarHBondContact O-N 3.07Å
264	R	95.3	Very high	90.7	Very high	96 Å²	96	63.7 Å²	63.7	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-55.8	-48	170.5	-69	-173.4	-72.7	-89.8	3	111.2	V257 E258 L260 Y266 W267 D268	V257-R264 PolarHBondContact O-NH1 2.95Å; V257-R264 PolarHBondContact O-NH2 3.1Å; V257-R264 VanDerWaalsContact O-NH2 3.13Å; E258-R264 PolarHBondContact O-NH2 3.09Å; L260-R264 PolarHBondContact O-N 3.17Å; L260-R264 VanDerWaalsContact O-N 3.1Å; R264-Y266 PolarHBondContact O-N 3.33Å; R264-W267 PolarHBondContact O-N 3.22Å; R264-D268 VanDerWaalsContact O-CG 3.24Å; R264-D268 PolarHBondContact O-N 3.31Å
265	S	95.3	Very high	88.5	Confident	47 Å²	47	66.7 Å²	66.7	33%	0.329	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-32	176.5	-60.3	0	0	0	0	113.2	S261 L263 R269	S261-S265 WeakPolarHBondContact O-CB 3.43Å; S261-S265 PolarHBondContact O-N 2.77Å; S261-S265 PolarHBondContact O-OG 2.99Å; L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 3.38Å; S265-R269 WeakPolarHBondContact O-CG 3.21Å; S265-R269 PolarHBondContact O-N 3.24Å; S265-R269 PolarHBondContact O-NE 3.21Å; S265-R269 PolarHBondContact O-NH1 3.3Å; S265-R269 PolarHBondContact O-NH2 3.41Å
266	Y	96.5	Very high	85.7	Confident	13 Å²	13	67.1 Å²	67.1	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-68.7	-50.9	173.9	176.5	-85.8	0	0	0	110.8	L4 F6 F234 E238 W262 L263 R264 D268 R269 R270	L4-Y266 HydrophobicContact CB-CE1 4.39Å; L4-Y266 WeakPolarHBondContact CB-OH 3.22Å; L4-Y266 PolarHBondContact N-OH 3.47Å; F6-Y266 HydrophobicContact CD2-CD1 4.47Å; F6-Y266 HydrophobicContact CD2-CE1 4.5Å; F6-Y266 AromaticContact CE2-CD1 3.55Å; F6-Y266 HydrophobicContact CE2-CD1 3.55Å; F6-Y266 AromaticContact CE2-CE1 3.5Å; F6-Y266 HydrophobicContact CE2-CE1 3.5Å; F6-Y266 HydrophobicContact CE2-CG 4.18Å; F6-Y266 HydrophobicContact CZ-CD1 4.19Å; F6-Y266 HydrophobicContact CZ-CE1 4.22Å; F6-Y266 HydrophobicContact CZ-CG 4.39Å; F234-Y266 HydrophobicContact CB-CE2 4.27Å; F234-Y266 HydrophobicContact CD2-CD2 4.08Å; F234-Y266 HydrophobicContact CD2-CE2 4.32Å; E238-Y266 PolarHBondContact OE1-OH 3.47Å; W262-Y266 PolarHBondContact O-N 3.01Å; L263-Y266 WeakPolarHBondContact O-CA 3.45Å; L263-Y266 WeakPolarHBondContact O-CB 3.36Å; L263-Y266 PolarHBondContact O-N 2.88Å; R264-Y266 PolarHBondContact O-N 3.33Å; Y266-D268 VanDerWaalsContact C-N 3.34Å; Y266-D268 PolarHBondContact O-N 3.13Å; Y266-R269 PolarHBondContact O-N 3.3Å; Y266-R270 HydrophobicContact CD2-CG 4.18Å; Y266-R270 HydrophobicContact CE1-CB 4.06Å; Y266-R270 HydrophobicContact CE1-CG 4.2Å; Y266-R270 HydrophobicContact CE2-CG 3.76Å; Y266-R270 PolarHBondContact O-N 3.03Å
267	W	94.6	Very high	82.7	Confident	30 Å²	30	72.2 Å²	72.2	11%	0.114	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-39.2	178	-68.4	-37.4	0	0	0	112.9	L263 R264 R269 G271	L263-W267 HydrophobicContact CD1-CD2 4.27Å; L263-W267 HydrophobicContact CD1-CH2 4.3Å; L263-W267 HydrophobicContact CD1-CZ2 3.78Å; L263-W267 HydrophobicContact CD2-CH2 3.37Å; L263-W267 HydrophobicContact CD2-CZ2 3.59Å; L263-W267 HydrophobicContact CD2-CZ3 3.96Å; L263-W267 HydrophobicContact CG-CD2 4.06Å; L263-W267 HydrophobicContact CG-CE3 4.03Å; L263-W267 HydrophobicContact CG-CH2 3.59Å; L263-W267 HydrophobicContact CG-CZ2 3.59Å; L263-W267 HydrophobicContact CG-CZ3 3.8Å; L263-W267 PolarHBondContact O-N 3.07Å; R264-W267 PolarHBondContact O-N 3.22Å; W267-R269 VanDerWaalsContact C-N 3.26Å; W267-R269 PolarHBondContact O-N 2.68Å; W267-G271 CarbonylContact O-C 3.3Å; W267-G271 VanDerWaalsContact O-C 3.3Å; W267-G271 WeakPolarHBondContact O-CA 3.2Å; W267-G271 PolarHBondContact O-N 2.84Å
268	D	93.1	Very high	79.9	Confident	139 Å²	139	77.7 Å²	77.7	74%	0.743	41%	0.409	S	S	*	.	H	α-helix	trans	-62	-34.9	177.1	-69.6	-20.8	0	0	0	112.2	R264 Y266	R264-D268 VanDerWaalsContact O-CG 3.24Å; R264-D268 PolarHBondContact O-N 3.31Å; Y266-D268 VanDerWaalsContact C-N 3.34Å; Y266-D268 PolarHBondContact O-N 3.13Å
269	R	92.1	Very high	76.7	Confident	170 Å²	170	73.8 Å²	73.8	64%	0.642	41%	0.409	S	S	*	.	H	α-helix	trans	-84.6	-37.3	-179.4	-73.6	-170.7	-64.2	-95	-1.1	113.8	S265 Y266 W267	S265-R269 WeakPolarHBondContact O-CG 3.21Å; S265-R269 PolarHBondContact O-N 3.24Å; S265-R269 PolarHBondContact O-NE 3.21Å; S265-R269 PolarHBondContact O-NH1 3.3Å; S265-R269 PolarHBondContact O-NH2 3.41Å; Y266-R269 PolarHBondContact O-N 3.3Å; W267-R269 VanDerWaalsContact C-N 3.26Å; W267-R269 PolarHBondContact O-N 2.68Å
270	R	91.4	Very high	73.7	Confident	90 Å²	90	80.6 Å²	80.6	34%	0.34	44%	0.441	S	S	.	.	H	α-helix	trans	-104.4	-12.9	-171	-58.8	-62	-68.7	169.3	2.9	113.2	P3 E238 Y266	P3-R270 HydrophobicContact CB-CB 4.19Å; P3-R270 HydrophobicContact CG-CB 4.46Å; P3-R270 VanDerWaalsContact CG-O 3.24Å; P3-R270 WeakPolarHBondContact CG-O 3.32Å; E238-R270 IonicContact OE1-CZ 3.31Å; E238-R270 IonicContact OE1-NE 3.15Å; E238-R270 PolarHBondContact OE1-NE 3.44Å; E238-R270 IonicContact OE1-NH2 3.39Å; E238-R270 IonicContact OE2-CZ 3.78Å; E238-R270 IonicContact OE2-NE 3.19Å; E238-R270 PolarHBondContact OE2-NE 3.05Å; E238-R270 IonicContact OE2-NH2 3.62Å; E238-R270 PolarHBondContact OE2-NH2 2.8Å; Y266-R270 HydrophobicContact CD2-CG 4.18Å; Y266-R270 HydrophobicContact CE1-CB 4.06Å; Y266-R270 HydrophobicContact CE1-CG 4.2Å; Y266-R270 HydrophobicContact CE2-CG 3.76Å; Y266-R270 PolarHBondContact O-N 3.03Å
271	G	81.5	Confident	70.7	Confident	33 Å²	33	89.2 Å²	89.2	34%	0.34	48%	0.48	S	S	.	.			trans	87.1	152.5	-166.6	0	0	0	0	0	111.4	W267	W267-G271 CarbonylContact O-C 3.3Å; W267-G271 VanDerWaalsContact O-C 3.3Å; W267-G271 WeakPolarHBondContact O-CA 3.2Å; W267-G271 PolarHBondContact O-N 2.84Å
272	H	75.9	Confident	67.7	Low	88 Å²	88	92.1 Å²	92.1	41%	0.407	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-73	136.9	162.7	-161.8	-78.1	0	0	0	107.8	G31 E274	G31-H272 PolarHBondContact O-NE2 3.12Å; H272-E274 PolarHBondContact O-N 3.24Å
273	P	63.3	Low	64.7	Low	18 Å²	18	97.4 Å²	97.4	12%	0.117	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-54.8	120.2	170.8	2.1	-2.9	0	0	0	108.4	R5 V275	R5-P273 HydrophobicContact CB-CG 4.45Å; R5-P273 HydrophobicContact CG-CB 4.02Å; R5-P273 HydrophobicContact CG-CG 3.8Å; P273-V275 PolarHBondContact O-N 3.05Å
274	E	55.5	Low	61.8	Low	184 Å²	184	106.2 Å²	106.2	86%	0.86	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-60.8	135.7	172.9	-73.1	-176.8	167.5	0	0	107.9	H272 A276	H272-E274 PolarHBondContact O-N 3.24Å; E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 2.91Å
275	V	49.4	Very low	59.1	Low	113 Å²	113	109.6 Å²	109.6	69%	0.685	59%	0.593	S	S	*	*			trans	-63.4	98.8	167.4	-177.7	0	0	0	0	105.4	P273 S277	P273-V275 PolarHBondContact O-N 3.05Å; V275-S277 VanDerWaalsContact C-N 3.32Å; V275-S277 PolarHBondContact O-N 2.91Å
276	A	38.1	Very low	56.7	Low	82 Å²	82	112.6 Å²	112.6	68%	0.678	61%	0.611	S	S	*	*			trans	-57	106.4	166	0	0	0	0	0	105.8	E274 E278	E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 2.91Å; A276-E278 PolarHBondContact O-N 3.43Å
277	S	35	Very low	54.5	Low	109 Å²	109	118 Å²	118	76%	0.762	65%	0.648	S	S	*	*			trans	-63.4	90.2	164.8	55.6	0	0	0	0	105.7	V275 G279	V275-S277 VanDerWaalsContact C-N 3.32Å; V275-S277 PolarHBondContact O-N 2.91Å; S277-G279 VanDerWaalsContact C-N 3.33Å; S277-G279 PolarHBondContact O-N 2.85Å
278	E	37.7	Very low	52.5	Low	177 Å²	177	124.4 Å²	124.4	83%	0.827	69%	0.685	S	S	*	*			trans	-57.2	106.9	165	-76.1	-178.4	166	0	0	105.9	A276 L280	A276-E278 PolarHBondContact O-N 3.43Å; E278-L280 PolarHBondContact O-N 3.47Å; E278-L280 VanDerWaalsContact O-N 3.13Å
279	G	31.1	Very low	50.5	Low	66 Å²	66	123.5 Å²	123.5	68%	0.68	69%	0.689	S	S	*	*			trans	-58.3	119	-174.5	0	0	0	0	0	109.4	S277 H281	S277-G279 VanDerWaalsContact C-N 3.33Å; S277-G279 PolarHBondContact O-N 2.85Å; G279-H281 PolarHBondContact O-N 3.2Å
280	L	33.8	Very low	48.5	Very low	159 Å²	159	128.3 Å²	128.3	83%	0.832	72%	0.719	S	S	*	*			trans	-57.7	99.9	152.6	-98.3	84.6	0	0	0	106.3	E278 T282	E278-L280 PolarHBondContact O-N 3.47Å; E278-L280 VanDerWaalsContact O-N 3.13Å; L280-T282 PolarHBondContact O-N 2.78Å
281	H	33.5	Very low	46.4	Very low	183 Å²	183	130.2 Å²	130.2	85%	0.847	74%	0.738	S	S	*	*			trans	-62	92.9	159.9	-98.8	-39.8	0	0	0	107.1	G279 T283	G279-H281 PolarHBondContact O-N 3.2Å; H281-T283 VanDerWaalsContact C-N 3.3Å; H281-T283 PolarHBondContact O-N 3.26Å; H281-T283 VanDerWaalsContact O-N 3.1Å
282	T	34.3	Very low	44.5	Very low	119 Å²	119	135.3 Å²	135.3	73%	0.73	76%	0.759	S	S	*	*			trans	-71.3	94.9	158.2	43	0	0	0	0	106.3	L280 H284	L280-T282 PolarHBondContact O-N 2.78Å; T282-H284 VanDerWaalsContact C-N 3.29Å; T282-H284 PolarHBondContact O-N 3.46Å
283	T	35.5	Very low	42.8	Very low	129 Å²	129	137.9 Å²	137.9	79%	0.791	78%	0.778	S	S	*	*			trans	-67	94.2	162.8	32.4	0	0	0	0	107.6	H281 M285	H281-T283 VanDerWaalsContact C-N 3.3Å; H281-T283 PolarHBondContact O-N 3.26Å; H281-T283 VanDerWaalsContact O-N 3.1Å; T283-M285 PolarHBondContact O-N 3.37Å; T283-M285 VanDerWaalsContact O-N 3.13Å
284	H	34.8	Very low	41.6	Very low	185 Å²	185	145 Å²	145	86%	0.856	82%	0.817	S	S	*	*			trans	-67.5	104.2	161.9	-113.1	-15.6	0	0	0	107.6	T282	T282-H284 VanDerWaalsContact C-N 3.29Å; T282-H284 PolarHBondContact O-N 3.46Å
285	M	38.2	Very low	40.7	Very low	168 Å²	168	142.6 Å²	142.6	83%	0.828	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.1	130	157.9	-80.5	-148.5	-66.4	0	0	108.4	T283	T283-M285 PolarHBondContact O-N 3.37Å; T283-M285 VanDerWaalsContact O-N 3.13Å
286	P	44.9	Very low	40.1	Very low	109 Å²	109	144.5 Å²	144.5	71%	0.708	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69	143.9	169.4	29	-31.1	0	0	0	109.5
287	P	51.2	Low	40.3	Very low	126 Å²	126	149 Å²	149	82%	0.818	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-70.2	136	172.9	28.5	-30.7	0	0	0	109.9	S289	P287-S289 PolarHBondContact O-N 3.32Å
288	D	52.2	Low	40.7	Very low	166 Å²	166	152.1 Å²	152.1	89%	0.888	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-55	132.5	173.4	-71	-47.3	0	0	0	110.9
289	S	51.2	Low	40.9	Very low	119 Å²	119	150 Å²	150	83%	0.832	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-79.2	117.3	170.8	50.1	0	0	0	0	110.2	P287	P287-S289 PolarHBondContact O-N 3.32Å
290	E	50.6	Low	41.8	Very low	271 Å²	271	157.6 Å²	157.6	100%	1.266	85%	0.854	S	S	*	*			trans	-82.4	0	153	-76	-172.2	145.3	0	0	111

Retrieved 290 of 290 residues in 348.2 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).