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Bifunctional epoxide hydrolase 2

Bifunctional enzyme. The C-terminal domain has epoxide hydrolase activity and acts on epoxides (alkene oxides, oxiranes) and arene oxides. Plays a role in xenobiotic metabolism by degrading potentially toxic epoxides. Also determines steady-state levels of physiological mediators. Bifunctional enzyme. The N-terminal domain has lipid phosphatase activity, with the highest activity towards threo-9,10-phosphonooxy-hydroxy-octadecanoic acid, followed by erythro-9,10-phosphonooxy-hydroxy-octadecanoic acid, 12-phosphonooxy-octadec-9Z-enoic acid and 12-phosphonooxy-octadec-9E-enoic acid. Has phosphatase activity toward lyso-glycerophospholipids with also some lower activity toward lysolipids of sphingolipid and isoprenoid phosphates.

AlphaFold DB (A0A2I3M6V3), UniProt , Accession A0A096NDX1, Species PAPAN (Papio anubis, Olive baboon), Gene EPHX2, Length 555 aa.

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(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	60.9	Low	93.4	Very high	178 Å²	178	37.2 Å²	37.2	88%	0.877	20%	0.2	S	C	*	.				0	152.6	0	-69.2	-177.5	-125.9	0	0	107.7	E179	M1-E179 HydrophobicContact CB-CG 4.25Å; M1-E179 HydrophobicContact SD-CG 4.45Å
2	A	88.8	Confident	93.5	Very high	84 Å²	84	34.8 Å²	34.8	69%	0.694	19%	0.191	S	C	*	.			trans	-76.6	144.8	177.4	0	0	0	0	0	110.1
3	L	96.8	Very high	93.8	Very high	27 Å²	27	32.2 Å²	32.2	14%	0.141	18%	0.176	C	C	.	.			trans	-62.7	136.5	171	-66.8	175.8	0	0	0	109.6	F117 E179 V181 V199 V216 T217	L3-F117 HydrophobicContact CB-CE1 3.84Å; L3-F117 HydrophobicContact CB-CZ 4.02Å; L3-F117 WeakPolarHBondContact O-CZ 3.34Å; L3-E179 WeakPolarHBondContact CA-O 3.44Å; L3-V181 HydrophobicContact CD1-CB 4.06Å; L3-V181 HydrophobicContact CD1-CG1 4.32Å; L3-V181 HydrophobicContact CD2-CB 4.45Å; L3-V199 HydrophobicContact CD2-CB 4.37Å; L3-V199 HydrophobicContact CD2-CG2 3.92Å; L3-V216 HydrophobicContact CD1-CB 4.15Å; L3-V216 HydrophobicContact CD1-CG2 3.97Å; L3-V216 WeakPolarHBondContact CD1-O 3.27Å; L3-T217 HydrophobicContact CD1-CG2 4.16Å
4	R	96.9	Very high	94.1	Very high	105 Å²	105	29.9 Å²	29.9	40%	0.396	16%	0.163	S	C	.	.			trans	-136.7	-1.2	174.8	60.3	164.2	171.9	134.4	6.7	114.1	F117 T118 K174 E179	R4-F117 VanDerWaalsContact O-CA 3.32Å; R4-F117 WeakPolarHBondContact O-CA 3.39Å; R4-T118 PolarHBondContact O-N 3.33Å; R4-K174 PolarHBondContact NH1-O 2.77Å; R4-K174 PolarHBondContact NH2-O 3.02Å; R4-E179 HydrophobicContact CG-CB 3.92Å; R4-E179 HydrophobicContact CG-CG 4.4Å; R4-E179 IonicContact CZ-OE1 2.86Å; R4-E179 IonicContact CZ-OE2 3.65Å; R4-E179 PolarHBondContact N-O 2.99Å; R4-E179 IonicContact NE-OE1 3.13Å; R4-E179 PolarHBondContact NE-OE1 3.24Å; R4-E179 IonicContact NE-OE2 2.7Å; R4-E179 PolarHBondContact NE-OE2 3.31Å; R4-E179 IonicContact NH2-OE1 3.3Å; R4-E179 PolarHBondContact NH2-OE1 3.09Å; R4-E179 IonicContact NH2-OE2 3.75Å; R4-E179 PolarHBondContact NH2-OE2 3.02Å
5	A	98.5	Very high	94.2	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.6	173.7	0	0	0	0	0	112.1	T118 L173 E179 V180 V181	A5-T118 CarbonylContact C-O 3.58Å; A5-T118 WeakPolarHBondContact CA-O 3.29Å; A5-L173 HydrophobicContact CB-CD1 4.12Å; A5-L173 HydrophobicContact CB-CD2 4.43Å; A5-E179 PolarHBondContact N-O 2.71Å; A5-E179 VanDerWaalsContact N-O 3.08Å; A5-V180 HydrophobicContact CB-CG2 4.23Å; A5-V180 WeakPolarHBondContact O-CA 3.38Å; A5-V181 PolarHBondContact O-N 3.32Å
6	A	98.7	Very high	94.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.1	177.3	0	0	0	0	0	110.3	F8 L112 F117 T118 T119 A120 V181	A6-F8 HydrophobicContact CB-CE2 3.67Å; A6-F8 HydrophobicContact CB-CZ 4.05Å; A6-L112 HydrophobicContact CB-CD1 3.74Å; A6-F117 HydrophobicContact CB-CD1 4.13Å; A6-T118 PolarHBondContact N-O 3.13Å; A6-T119 WeakPolarHBondContact O-CA 3.49Å; A6-A120 PolarHBondContact O-N 3.08Å; A6-V181 WeakPolarHBondContact CA-O 3.41Å; A6-V181 HydrophobicContact CB-CG1 3.77Å
7	V	98.8	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.3	-174.5	-175.7	0	0	0	0	108.9	A120 L122 L169 L173 V180 V181 F182 L183	V7-A120 WeakPolarHBondContact CA-O 3.5Å; V7-A120 HydrophobicContact CG1-CB 4.5Å; V7-A120 HydrophobicContact CG2-CB 4.34Å; V7-L122 HydrophobicContact CG1-CB 3.72Å; V7-L169 HydrophobicContact CB-CD2 4.48Å; V7-L169 HydrophobicContact CG1-CD1 3.91Å; V7-L169 HydrophobicContact CG1-CD2 4.01Å; V7-L169 HydrophobicContact CG2-CD1 3.93Å; V7-L169 HydrophobicContact CG2-CD2 4.12Å; V7-L169 HydrophobicContact CG2-CG 4.43Å; V7-L173 HydrophobicContact CG2-CD1 3.64Å; V7-V180 HydrophobicContact CG2-CG1 3.72Å; V7-V181 PolarHBondContact N-O 3.44Å; V7-F182 HydrophobicContact CB-CD2 3.68Å; V7-F182 HydrophobicContact CB-CE2 4.38Å; V7-F182 HydrophobicContact CG1-CD2 3.54Å; V7-F182 HydrophobicContact CG1-CE2 3.74Å; V7-F182 WeakPolarHBondContact O-CA 3.45Å; V7-L183 WeakPolarHBondContact O-CD1 3.35Å; V7-L183 PolarHBondContact O-N 3.01Å
8	F	98.8	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.3	-173	-59	-100.8	0	0	0	110	A6 V13 L14 M105 A109 L112 A120 I121 L122 F147 L183 L213	A6-F8 HydrophobicContact CB-CE2 3.67Å; A6-F8 HydrophobicContact CB-CZ 4.05Å; F8-V13 HydrophobicContact CB-CG1 4.35Å; F8-V13 HydrophobicContact CD1-CG1 4.28Å; F8-L14 HydrophobicContact CB-CD1 3.63Å; F8-L14 HydrophobicContact CB-CD2 4.43Å; F8-L14 HydrophobicContact CB-CG 3.87Å; F8-L14 HydrophobicContact CD1-CD2 4.44Å; F8-L14 HydrophobicContact CG-CD1 4.4Å; F8-L14 HydrophobicContact CG-CG 4.46Å; F8-M105 HydrophobicContact CD1-CG 4.13Å; F8-M105 HydrophobicContact CD1-SD 3.91Å; F8-M105 HydrophobicContact CE1-CG 4.35Å; F8-M105 HydrophobicContact CE1-SD 3.77Å; F8-A109 HydrophobicContact CD2-CB 4.45Å; F8-A109 HydrophobicContact CE1-CB 4.28Å; F8-A109 HydrophobicContact CE2-CB 3.81Å; F8-A109 HydrophobicContact CZ-CB 3.71Å; F8-L112 HydrophobicContact CZ-CD1 4.24Å; F8-A120 PolarHBondContact N-O 3.31Å; F8-I121 CarbonylContact O-C 3.6Å; F8-I121 WeakPolarHBondContact O-CA 3.47Å; F8-L122 PolarHBondContact O-N 3.24Å; F8-F147 HydrophobicContact CD2-CD1 4.5Å; F8-F147 AromaticContact CD2-CE1 3.65Å; F8-F147 HydrophobicContact CD2-CE1 3.65Å; F8-F147 HydrophobicContact CD2-CZ 4.49Å; F8-F147 HydrophobicContact CE2-CE1 4.08Å; F8-F147 HydrophobicContact CG-CE1 4.3Å; F8-L183 HydrophobicContact CD1-CB 4.32Å; F8-L183 HydrophobicContact CD1-CD1 3.89Å; F8-L183 HydrophobicContact CD1-CD2 4.33Å; F8-L183 HydrophobicContact CD1-CG 4.4Å; F8-L183 HydrophobicContact CE1-CD1 3.76Å; F8-L183 HydrophobicContact CE1-CD2 4.16Å; F8-L183 HydrophobicContact CE1-CG 4.47Å; F8-L183 HydrophobicContact CG-CD1 4.4Å; F8-L183 HydrophobicContact CZ-CD1 4.16Å; F8-L213 HydrophobicContact CE1-CD2 4.27Å; F8-L213 HydrophobicContact CZ-CD2 4.42Å
9	D	98.4	Very high	93.1	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.032	16%	0.162	C	C	.	.			trans	-68.6	161.4	161.4	-158	2.7	0	0	0	111.1	V13 L14 K160 L183 D184	D9-V13 HydrophobicContact CB-CB 4.17Å; D9-V13 HydrophobicContact CB-CG2 3.85Å; D9-V13 WeakPolarHBondContact O-CB 3.23Å; D9-L14 WeakPolarHBondContact O-CG 3.18Å; D9-L14 PolarHBondContact O-N 2.98Å; D9-K160 IonicContact OD1-NZ 3.45Å; D9-K160 PolarHBondContact OD1-NZ 2.7Å; D9-K160 IonicContact OD2-NZ 2.7Å; D9-K160 PolarHBondContact OD2-NZ 2.99Å; D9-L183 PolarHBondContact N-O 2.95Å; D9-D184 HydrophobicContact CB-CB 4.47Å
10	L	96.6	Very high	92.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-64.4	172.5	-179.7	65.8	0	0	0	111.4	L14 A15 I121 T123 L139 M140 L143	L10-L14 HydrophobicContact CD1-CB 4.4Å; L10-L14 CarbonylContact O-C 3.43Å; L10-L14 PolarHBondContact O-N 2.71Å; L10-L14 VanDerWaalsContact O-N 3.11Å; L10-A15 HydrophobicContact CD1-CB 3.97Å; L10-A15 HydrophobicContact CG-CB 4.31Å; L10-A15 WeakPolarHBondContact O-CB 3.45Å; L10-A15 PolarHBondContact O-N 3.32Å; L10-I121 HydrophobicContact CB-CG2 4.26Å; L10-T123 HydrophobicContact CB-CG2 4.33Å; L10-T123 WeakPolarHBondContact CB-OG1 3.29Å; L10-T123 HydrophobicContact CD2-CG2 4.41Å; L10-L139 HydrophobicContact CD1-CD2 4.18Å; L10-M140 HydrophobicContact CD1-SD 4.09Å; L10-M140 HydrophobicContact CD2-CE 4.1Å; L10-M140 HydrophobicContact CD2-SD 3.42Å; L10-M140 WeakPolarHBondContact CD2-SD 3.36Å; L10-M140 HydrophobicContact CG-SD 4.41Å; L10-L143 HydrophobicContact CD1-CD1 3.35Å
11	D	94.8	Very high	91.2	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.032	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-71.9	134.6	-175	-153.3	56.3	0	0	0	109.6	V13 A18 V19 F20 R99	D11-V13 PolarHBondContact O-N 2.66Å; D11-A18 WeakPolarHBondContact OD2-CA 3.41Å; D11-A18 WeakPolarHBondContact OD2-CB 3.49Å; D11-V19 VanDerWaalsContact CG-N 3.29Å; D11-V19 WeakPolarHBondContact OD1-CG2 3.21Å; D11-V19 PolarHBondContact OD1-N 3.01Å; D11-V19 PolarHBondContact OD2-N 2.9Å; D11-F20 HydrophobicContact CB-CD2 4.36Å; D11-F20 HydrophobicContact CB-CE2 4.1Å; D11-F20 WeakPolarHBondContact OD2-CD2 3.45Å; D11-F20 PolarHBondContact OD2-N 3.04Å; D11-R99 IonicContact OD1-NH1 2.78Å; D11-R99 PolarHBondContact OD1-NH1 3.01Å
12	G	93.9	Very high	92.3	Very high	9 Å²	9	22.6 Å²	22.6	9%	0.093	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-12.7	179.6	0	0	0	0	0	115.8	A15 L16	G12-A15 PolarHBondContact N-O 2.94Å; G12-L16 WeakPolarHBondContact O-CD2 2.99Å
13	V	97.5	Very high	92.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-75.4	-179.6	-179.4	0	0	0	0	111.3	F8 D9 D11 N102 M105 L183 D185 V203	F8-V13 HydrophobicContact CB-CG1 4.35Å; F8-V13 HydrophobicContact CD1-CG1 4.28Å; D9-V13 HydrophobicContact CB-CB 4.17Å; D9-V13 HydrophobicContact CB-CG2 3.85Å; D9-V13 WeakPolarHBondContact O-CB 3.23Å; D11-V13 PolarHBondContact O-N 2.66Å; V13-N102 VanDerWaalsContact O-CB 3.24Å; V13-N102 WeakPolarHBondContact O-CB 3.44Å; V13-N102 PolarHBondContact O-ND2 2.83Å; V13-M105 HydrophobicContact CG1-CE 4.18Å; V13-M105 HydrophobicContact CG1-CG 4.02Å; V13-M105 HydrophobicContact CG1-SD 4.29Å; V13-L183 HydrophobicContact CG1-CB 4.26Å; V13-D185 HydrophobicContact CG2-CB 4.24Å; V13-V203 HydrophobicContact CG1-CG2 4.24Å; V13-V203 HydrophobicContact CG2-CB 3.87Å; V13-V203 HydrophobicContact CG2-CG1 4.19Å; V13-V203 HydrophobicContact CG2-CG2 3.81Å
14	L	97.6	Very high	91.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.5	178.3	-73	170.9	0	0	0	113.6	F8 D9 L10 I101 N102 M105 I121 L143 F147	F8-L14 HydrophobicContact CB-CD1 3.63Å; F8-L14 HydrophobicContact CB-CD2 4.43Å; F8-L14 HydrophobicContact CB-CG 3.87Å; F8-L14 HydrophobicContact CD1-CD2 4.44Å; F8-L14 HydrophobicContact CG-CD1 4.4Å; F8-L14 HydrophobicContact CG-CG 4.46Å; D9-L14 WeakPolarHBondContact O-CG 3.18Å; D9-L14 PolarHBondContact O-N 2.98Å; L10-L14 HydrophobicContact CD1-CB 4.4Å; L10-L14 CarbonylContact O-C 3.43Å; L10-L14 PolarHBondContact O-N 2.71Å; L10-L14 VanDerWaalsContact O-N 3.11Å; L14-I101 CarbonylContact O-C 3.6Å; L14-I101 WeakPolarHBondContact O-CA 3.43Å; L14-N102 PolarHBondContact O-N 3.2Å; L14-M105 HydrophobicContact CD2-CB 4.4Å; L14-M105 HydrophobicContact CD2-CG 3.85Å; L14-I121 HydrophobicContact CD1-CD1 3.82Å; L14-I121 HydrophobicContact CD1-CG1 3.68Å; L14-I121 HydrophobicContact CD1-CG2 4.35Å; L14-L143 HydrophobicContact CB-CD1 4.38Å; L14-F147 HydrophobicContact CD1-CE1 4.13Å; L14-F147 HydrophobicContact CD1-CE2 3.98Å; L14-F147 HydrophobicContact CD1-CZ 3.52Å; L14-F147 HydrophobicContact CD2-CE2 4.45Å; L14-F147 HydrophobicContact CD2-CZ 3.76Å; L14-F147 HydrophobicContact CG-CZ 4.32Å
15	A	96.3	Very high	91.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.4	-177.9	0	0	0	0	0	110.9	L10 G12 R99 K100 L139	L10-A15 HydrophobicContact CD1-CB 3.97Å; L10-A15 HydrophobicContact CG-CB 4.31Å; L10-A15 WeakPolarHBondContact O-CB 3.45Å; L10-A15 PolarHBondContact O-N 3.32Å; G12-A15 PolarHBondContact N-O 2.94Å; A15-R99 HydrophobicContact CB-CG 3.74Å; A15-K100 CarbonylContact C-O 3.56Å; A15-K100 VanDerWaalsContact CA-O 3.29Å; A15-K100 WeakPolarHBondContact CA-O 3.45Å; A15-L139 HydrophobicContact CB-CD2 4.48Å
16	L	94.2	Very high	90.8	Very high	63 Å²	63	20 Å²	20	33%	0.33	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.5	-175.1	-68.5	176.9	0	0	0	111.7	G12 K100 N102	G12-L16 WeakPolarHBondContact O-CD2 2.99Å; L16-K100 PolarHBondContact N-O 3.32Å; L16-K100 PolarHBondContact O-N 3.19Å; L16-N102 HydrophobicContact CD1-CB 3.98Å; L16-N102 WeakPolarHBondContact CD1-ND2 3.26Å; L16-N102 HydrophobicContact CG-CB 4.09Å
17	P	91.8	Very high	90.5	Very high	49 Å²	49	20.2 Å²	20.2	32%	0.318	12%	0.118	S	C	.	.	S	Bend	cis	-71	156.7	-7.9	31.9	-35.5	0	0	0	111.6	V19	P17-V19 PolarHBondContact O-N 3.21Å
18	A	88.6	Confident	90.1	Very high	15 Å²	15	27.7 Å²	27.7	12%	0.124	15%	0.153	C	C	.	.			trans	-56.8	133.7	173.4	0	0	0	0	0	110.7	D11 F20 G21	D11-A18 WeakPolarHBondContact OD2-CA 3.41Å; D11-A18 WeakPolarHBondContact OD2-CB 3.49Å; A18-F20 VanDerWaalsContact C-N 3.25Å; A18-F20 PolarHBondContact O-N 2.66Å; A18-G21 PolarHBondContact O-N 3.06Å
19	V	81.8	Confident	89.7	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	19%	0.186	C	C	.	.	S	Bend	trans	-60.9	-39.9	173.9	174.9	0	0	0	0	109.5	D11 P17 G21 V22 F92 A95 I96 W126	D11-V19 VanDerWaalsContact CG-N 3.29Å; D11-V19 WeakPolarHBondContact OD1-CG2 3.21Å; D11-V19 PolarHBondContact OD1-N 3.01Å; D11-V19 PolarHBondContact OD2-N 2.9Å; P17-V19 PolarHBondContact O-N 3.21Å; V19-G21 PolarHBondContact O-N 3.08Å; V19-V22 VanDerWaalsContact O-CB 3.27Å; V19-V22 WeakPolarHBondContact O-CB 3.25Å; V19-V22 PolarHBondContact O-N 2.88Å; V19-F92 HydrophobicContact CG1-CD1 4.01Å; V19-F92 HydrophobicContact CG1-CE1 3.92Å; V19-A95 HydrophobicContact CG1-CB 4.18Å; V19-I96 HydrophobicContact CG2-CG1 4.37Å; V19-W126 HydrophobicContact CG1-CH2 4.37Å
20	F	72.8	Confident	89.3	Confident	51 Å²	51	34.6 Å²	34.6	22%	0.224	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-30.6	178.2	-55	-60	0	0	0	112.7	D11 A18 V22 L23 F41 M54	D11-F20 HydrophobicContact CB-CD2 4.36Å; D11-F20 HydrophobicContact CB-CE2 4.1Å; D11-F20 WeakPolarHBondContact OD2-CD2 3.45Å; D11-F20 PolarHBondContact OD2-N 3.04Å; A18-F20 VanDerWaalsContact C-N 3.25Å; A18-F20 PolarHBondContact O-N 2.66Å; F20-V22 PolarHBondContact O-N 2.97Å; F20-L23 PolarHBondContact O-N 3.15Å; F20-F41 AromaticContact CD1-CE1 3.89Å; F20-F41 HydrophobicContact CD1-CE1 3.89Å; F20-F41 HydrophobicContact CD1-CZ 4.05Å; F20-F41 AromaticContact CE1-CE1 3.59Å; F20-F41 HydrophobicContact CE1-CE1 3.59Å; F20-F41 HydrophobicContact CE1-CE2 4.47Å; F20-F41 AromaticContact CE1-CZ 3.49Å; F20-F41 HydrophobicContact CE1-CZ 3.49Å; F20-F41 VanDerWaalsContact CE1-CZ 3.49Å; F20-M54 HydrophobicContact CE1-CE 4.33Å; F20-M54 HydrophobicContact CZ-CE 4.19Å
21	G	73.8	Confident	89	Confident	35 Å²	35	38.9 Å²	38.9	36%	0.361	24%	0.236	S	C	.	.	H	α-helix	trans	-68	-13.4	173.1	0	0	0	0	0	114.4	A18 V19	A18-G21 PolarHBondContact O-N 3.06Å; V19-G21 PolarHBondContact O-N 3.08Å
22	V	83.3	Confident	88.9	Confident	20 Å²	20	39.3 Å²	39.3	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-75	-30.6	176.9	175.7	0	0	0	0	111.9	V19 F20 G24 R25 T26 I91 A95	V19-V22 VanDerWaalsContact O-CB 3.27Å; V19-V22 WeakPolarHBondContact O-CB 3.25Å; V19-V22 PolarHBondContact O-N 2.88Å; F20-V22 PolarHBondContact O-N 2.97Å; V22-G24 PolarHBondContact O-N 2.82Å; V22-R25 PolarHBondContact O-N 2.86Å; V22-T26 WeakPolarHBondContact O-CB 3.3Å; V22-T26 PolarHBondContact O-N 3.36Å; V22-T26 PolarHBondContact O-OG1 2.83Å; V22-I91 HydrophobicContact CG1-CG2 4.07Å; V22-A95 HydrophobicContact CB-CB 4.05Å; V22-A95 HydrophobicContact CG1-CB 4.03Å; V22-A95 HydrophobicContact CG2-CB 3.66Å
23	L	86.9	Confident	88.9	Confident	4 Å²	4	41 Å²	41	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-49.2	-179.4	-62.6	-179.1	0	0	0	111	F20 R25 T26 E27 L37 F41 F92	F20-L23 PolarHBondContact O-N 3.15Å; L23-R25 PolarHBondContact O-N 2.95Å; L23-T26 WeakPolarHBondContact O-CB 3.42Å; L23-T26 PolarHBondContact O-N 2.91Å; L23-T26 VanDerWaalsContact O-N 3.16Å; L23-E27 WeakPolarHBondContact O-CG 3.28Å; L23-E27 PolarHBondContact O-N 3.33Å; L23-L37 HydrophobicContact CB-CB 4.12Å; L23-L37 HydrophobicContact CD2-CB 4.21Å; L23-F41 HydrophobicContact CD1-CB 3.81Å; L23-F41 HydrophobicContact CD1-CD2 4.2Å; L23-F41 HydrophobicContact CD1-CG 3.95Å; L23-F92 HydrophobicContact CD2-CE2 3.96Å; L23-F92 HydrophobicContact CD2-CZ 4.09Å
24	G	86.1	Confident	88.5	Confident	20 Å²	20	52.5 Å²	52.5	21%	0.206	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-42.6	176.9	0	0	0	0	0	113.5	V22 T26 E27 E28	V22-G24 PolarHBondContact O-N 2.82Å; G24-T26 VanDerWaalsContact C-N 3.27Å; G24-T26 PolarHBondContact O-N 3.26Å; G24-E27 WeakPolarHBondContact O-CB 3.47Å; G24-E27 PolarHBondContact O-N 3.29Å; G24-E28 PolarHBondContact O-N 3.47Å
25	R	87.1	Confident	88.1	Confident	119 Å²	119	53.3 Å²	53.3	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-34.1	174.8	-71.9	-168.8	-67	-99.5	-1.3	112.5	V22 L23 A29	V22-R25 PolarHBondContact O-N 2.86Å; L23-R25 PolarHBondContact O-N 2.95Å; R25-A29 VanDerWaalsContact O-CB 3.3Å; R25-A29 WeakPolarHBondContact O-CB 3.47Å; R25-A29 PolarHBondContact O-N 3.32Å
26	T	89.1	Confident	88	Confident	19 Å²	19	53.5 Å²	53.5	12%	0.117	30%	0.301	C	S	.	.	H	α-helix	trans	-71.6	-39.5	177.4	-55.5	0	0	0	0	110.8	V22 L23 G24 E28 A29 L30 L37 I91	V22-T26 WeakPolarHBondContact O-CB 3.3Å; V22-T26 PolarHBondContact O-N 3.36Å; V22-T26 PolarHBondContact O-OG1 2.83Å; L23-T26 WeakPolarHBondContact O-CB 3.42Å; L23-T26 PolarHBondContact O-N 2.91Å; L23-T26 VanDerWaalsContact O-N 3.16Å; G24-T26 VanDerWaalsContact C-N 3.27Å; G24-T26 PolarHBondContact O-N 3.26Å; T26-E28 VanDerWaalsContact C-N 3.35Å; T26-A29 PolarHBondContact O-N 3.03Å; T26-L30 HydrophobicContact CG2-CD1 3.7Å; T26-L30 HydrophobicContact CG2-CG 4.18Å; T26-L30 VanDerWaalsContact O-CB 3.31Å; T26-L30 WeakPolarHBondContact O-CB 3.36Å; T26-L30 VanDerWaalsContact O-CG 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.48Å; T26-L30 PolarHBondContact O-N 2.72Å; T26-L37 HydrophobicContact CG2-CD1 3.87Å; T26-I91 HydrophobicContact CG2-CD1 3.81Å; T26-I91 HydrophobicContact CG2-CG1 4.06Å; T26-I91 HydrophobicContact CG2-CG2 4.3Å
27	E	91.8	Very high	87.9	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.028	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-48.9	171.7	-69	161.4	-176.7	0	0	110.7	L23 G24 L30 A31 L32 G35 L36 L37 N38	L23-E27 WeakPolarHBondContact O-CG 3.28Å; L23-E27 PolarHBondContact O-N 3.33Å; G24-E27 WeakPolarHBondContact O-CB 3.47Å; G24-E27 PolarHBondContact O-N 3.29Å; E27-L30 CarbonylContact O-C 3.5Å; E27-L30 PolarHBondContact O-N 2.92Å; E27-A31 WeakPolarHBondContact O-CA 3.47Å; E27-A31 PolarHBondContact O-N 3.19Å; E27-L32 HydrophobicContact CB-CB 4.26Å; E27-L32 HydrophobicContact CG-CB 4.42Å; E27-L32 PolarHBondContact O-N 2.97Å; E27-G35 VanDerWaalsContact CD-N 3.34Å; E27-G35 WeakPolarHBondContact OE1-CA 3.42Å; E27-G35 PolarHBondContact OE1-N 3.4Å; E27-G35 PolarHBondContact OE2-N 3.16Å; E27-L36 PolarHBondContact OE1-N 2.84Å; E27-L37 HydrophobicContact CG-CB 4Å; E27-L37 HydrophobicContact CG-CD1 3.92Å; E27-L37 HydrophobicContact CG-CG 3.73Å; E27-L37 WeakPolarHBondContact OE1-CA 3.5Å; E27-L37 WeakPolarHBondContact OE1-CB 3.4Å; E27-L37 PolarHBondContact OE1-N 3.16Å; E27-N38 PolarHBondContact OE1-N 2.81Å; E27-N38 PolarHBondContact OE1-ND2 3.3Å
28	E	90.4	Very high	87.7	Confident	157 Å²	157	50.5 Å²	50.5	73%	0.734	28%	0.282	S	S	*	.	H	α-helix	trans	-61.3	-47.4	177.1	-71.2	175	-178.4	0	0	112.3	G24 T26 L30 A31	G24-E28 PolarHBondContact O-N 3.47Å; T26-E28 VanDerWaalsContact C-N 3.35Å; E28-L30 VanDerWaalsContact C-N 3.29Å; E28-L30 PolarHBondContact O-N 2.71Å; E28-A31 PolarHBondContact O-N 3.36Å
29	A	90.3	Very high	87.8	Confident	85 Å²	85	55 Å²	55	70%	0.702	31%	0.305	S	S	*	.	H	α-helix	trans	-65.2	-31.7	-178.6	0	0	0	0	0	113.3	R25 T26	R25-A29 VanDerWaalsContact O-CB 3.3Å; R25-A29 WeakPolarHBondContact O-CB 3.47Å; R25-A29 PolarHBondContact O-N 3.32Å; T26-A29 PolarHBondContact O-N 3.03Å
30	L	90.5	Very high	88.3	Confident	66 Å²	66	55 Å²	55	35%	0.346	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4.4	178.7	-60.9	-178.3	0	0	0	113	T26 E27 E28 L32 P83 F86	T26-L30 HydrophobicContact CG2-CD1 3.7Å; T26-L30 HydrophobicContact CG2-CG 4.18Å; T26-L30 VanDerWaalsContact O-CB 3.31Å; T26-L30 WeakPolarHBondContact O-CB 3.36Å; T26-L30 VanDerWaalsContact O-CG 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.48Å; T26-L30 PolarHBondContact O-N 2.72Å; E27-L30 CarbonylContact O-C 3.5Å; E27-L30 PolarHBondContact O-N 2.92Å; E28-L30 VanDerWaalsContact C-N 3.29Å; E28-L30 PolarHBondContact O-N 2.71Å; L30-L32 HydrophobicContact CB-CD1 4.06Å; L30-L32 HydrophobicContact CB-CG 3.88Å; L30-L32 HydrophobicContact CD1-CD1 4.19Å; L30-L32 PolarHBondContact O-N 3.36Å; L30-P83 HydrophobicContact CB-CG 4.48Å; L30-P83 HydrophobicContact CD1-CG 4.36Å; L30-P83 HydrophobicContact CD2-CG 4.34Å; L30-F86 HydrophobicContact CD1-CD2 4.06Å; L30-F86 HydrophobicContact CD1-CE2 4.4Å
31	A	91.5	Very high	89.2	Confident	90 Å²	90	52.9 Å²	52.9	74%	0.744	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.2	-174.6	0	0	0	0	0	113.6	E27 E28	E27-A31 WeakPolarHBondContact O-CA 3.47Å; E27-A31 PolarHBondContact O-N 3.19Å; E28-A31 PolarHBondContact O-N 3.36Å
32	L	92.3	Very high	89.9	Confident	16 Å²	16	56.9 Å²	56.9	8%	0.084	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-82.9	155.8	175.1	-62.7	173.4	0	0	0	111.1	E27 L30 R34 L37 V80 L82	E27-L32 HydrophobicContact CB-CB 4.26Å; E27-L32 HydrophobicContact CG-CB 4.42Å; E27-L32 PolarHBondContact O-N 2.97Å; L30-L32 HydrophobicContact CB-CD1 4.06Å; L30-L32 HydrophobicContact CB-CG 3.88Å; L30-L32 HydrophobicContact CD1-CD1 4.19Å; L30-L32 PolarHBondContact O-N 3.36Å; L32-R34 PolarHBondContact O-N 3.21Å; L32-L37 HydrophobicContact CD1-CD1 4.3Å; L32-L37 HydrophobicContact CD1-CD2 4.28Å; L32-L37 HydrophobicContact CD1-CG 4.26Å; L32-V80 HydrophobicContact CD2-CG1 4.22Å; L32-L82 HydrophobicContact CD1-CD2 4.13Å; L32-L82 HydrophobicContact CD2-CD2 4.06Å
33	P	92.6	Very high	90.1	Very high	45 Å²	45	59 Å²	59	29%	0.292	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-51.3	133.1	170.1	-26.9	33.3	0	0	0	111.9	G35 L36 V80	P33-G35 PolarHBondContact O-N 3.21Å; P33-L36 HydrophobicContact CB-CB 4.35Å; P33-L36 HydrophobicContact CB-CD1 4.35Å; P33-L36 HydrophobicContact CG-CD1 4.05Å; P33-L36 VanDerWaalsContact O-CB 3.23Å; P33-L36 WeakPolarHBondContact O-CB 3.19Å; P33-L36 PolarHBondContact O-N 3.37Å; P33-L36 VanDerWaalsContact O-N 3.11Å; P33-V80 HydrophobicContact CG-CB 4.25Å; P33-V80 HydrophobicContact CG-CG2 3.65Å
34	R	91	Very high	90	Very high	241 Å²	241	61.5 Å²	61.5	91%	0.909	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	127.7	179.6	-173.2	179.7	-177.1	-176.9	2	110.2	L32	L32-R34 PolarHBondContact O-N 3.21Å
35	G	89.2	Confident	90.1	Very high	17 Å²	17	62.6 Å²	62.6	18%	0.175	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-8.6	-179.8	0	0	0	0	0	114.9	E27 P33 L37 N38 D39	E27-G35 VanDerWaalsContact CD-N 3.34Å; E27-G35 WeakPolarHBondContact OE1-CA 3.42Å; E27-G35 PolarHBondContact OE1-N 3.4Å; E27-G35 PolarHBondContact OE2-N 3.16Å; P33-G35 PolarHBondContact O-N 3.21Å; G35-L37 PolarHBondContact O-N 3.42Å; G35-N38 CarbonylContact O-C 3.52Å; G35-N38 WeakPolarHBondContact O-CB 3.45Å; G35-N38 PolarHBondContact O-N 3.5Å; G35-N38 VanDerWaalsContact O-N 3.16Å; G35-D39 WeakPolarHBondContact O-CB 3.16Å; G35-D39 VanDerWaalsContact O-CG 3.27Å; G35-D39 PolarHBondContact O-N 3.11Å
36	L	92.6	Very high	89.7	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-47.2	-175.2	-176.8	154.6	0	0	0	113.3	E27 P33 A40 C74 L82	E27-L36 PolarHBondContact OE1-N 2.84Å; P33-L36 HydrophobicContact CB-CB 4.35Å; P33-L36 HydrophobicContact CB-CD1 4.35Å; P33-L36 HydrophobicContact CG-CD1 4.05Å; P33-L36 VanDerWaalsContact O-CB 3.23Å; P33-L36 WeakPolarHBondContact O-CB 3.19Å; P33-L36 PolarHBondContact O-N 3.37Å; P33-L36 VanDerWaalsContact O-N 3.11Å; L36-A40 WeakPolarHBondContact O-CB 3.34Å; L36-A40 PolarHBondContact O-N 2.91Å; L36-C74 HydrophobicContact CG-CB 4.31Å; L36-L82 HydrophobicContact CD2-CD2 4.44Å
37	L	92	Very high	89.6	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-73.3	-34	179.7	-61.3	-177	0	0	0	110.9	L23 T26 E27 L32 G35 A40 F41 F86	L23-L37 HydrophobicContact CB-CB 4.12Å; L23-L37 HydrophobicContact CD2-CB 4.21Å; T26-L37 HydrophobicContact CG2-CD1 3.87Å; E27-L37 HydrophobicContact CG-CB 4Å; E27-L37 HydrophobicContact CG-CD1 3.92Å; E27-L37 HydrophobicContact CG-CG 3.73Å; E27-L37 WeakPolarHBondContact OE1-CA 3.5Å; E27-L37 WeakPolarHBondContact OE1-CB 3.4Å; E27-L37 PolarHBondContact OE1-N 3.16Å; L32-L37 HydrophobicContact CD1-CD1 4.3Å; L32-L37 HydrophobicContact CD1-CD2 4.28Å; L32-L37 HydrophobicContact CD1-CG 4.26Å; G35-L37 PolarHBondContact O-N 3.42Å; L37-A40 PolarHBondContact O-N 3.02Å; L37-F41 WeakPolarHBondContact O-CB 3.3Å; L37-F41 PolarHBondContact O-N 2.88Å; L37-F86 HydrophobicContact CD1-CE2 4.46Å; L37-F86 HydrophobicContact CD2-CE2 3.93Å; L37-F86 HydrophobicContact CD2-CZ 3.76Å
38	N	88.9	Confident	89.6	Confident	47 Å²	47	69.4 Å²	69.4	25%	0.251	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-42.2	173.1	-76.7	-72.5	0	0	0	112.3	E27 G35 F41 H42	E27-N38 PolarHBondContact OE1-N 2.81Å; E27-N38 PolarHBondContact OE1-ND2 3.3Å; G35-N38 CarbonylContact O-C 3.52Å; G35-N38 WeakPolarHBondContact O-CB 3.45Å; G35-N38 PolarHBondContact O-N 3.5Å; G35-N38 VanDerWaalsContact O-N 3.16Å; N38-F41 WeakPolarHBondContact O-CB 3.44Å; N38-F41 PolarHBondContact O-N 3.06Å; N38-H42 PolarHBondContact O-N 2.82Å; N38-H42 PolarHBondContact O-ND1 3.31Å
39	D	90.6	Very high	89.8	Confident	110 Å²	110	62.6 Å²	62.6	59%	0.588	36%	0.36	S	S	*	.	H	α-helix	trans	-67.2	-40.6	177.5	-71.4	-15.7	0	0	0	111	G35 F41 H42 K43	G35-D39 WeakPolarHBondContact O-CB 3.16Å; G35-D39 VanDerWaalsContact O-CG 3.27Å; G35-D39 PolarHBondContact O-N 3.11Å; D39-F41 VanDerWaalsContact C-N 3.3Å; D39-F41 PolarHBondContact O-N 3.45Å; D39-H42 PolarHBondContact O-N 2.93Å; D39-K43 PolarHBondContact O-N 3.36Å
40	A	92.5	Very high	90	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-39.5	172.9	0	0	0	0	0	112.2	L36 L37 K43 M67 N70 C71 C74	L36-A40 WeakPolarHBondContact O-CB 3.34Å; L36-A40 PolarHBondContact O-N 2.91Å; L37-A40 PolarHBondContact O-N 3.02Å; A40-K43 VanDerWaalsContact O-CB 3.28Å; A40-K43 WeakPolarHBondContact O-CB 3.25Å; A40-K43 PolarHBondContact O-N 3.03Å; A40-M67 HydrophobicContact CB-CE 3.98Å; A40-M67 HydrophobicContact CB-SD 4.34Å; A40-N70 HydrophobicContact CB-CB 4.09Å; A40-N70 WeakPolarHBondContact O-CB 3.48Å; A40-N70 PolarHBondContact O-ND2 3.23Å; A40-C71 HydrophobicContact CB-CB 4.44Å; A40-C74 HydrophobicContact CB-CB 4.39Å
41	F	90.3	Very high	90.2	Very high	7 Å²	7	57 Å²	57	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-38.6	179.4	-173.3	-96.7	0	0	0	112.4	F20 L23 L37 N38 D39 K43 T50 M54 W63 M67 F92	F20-F41 AromaticContact CD1-CE1 3.89Å; F20-F41 HydrophobicContact CD1-CE1 3.89Å; F20-F41 HydrophobicContact CD1-CZ 4.05Å; F20-F41 AromaticContact CE1-CE1 3.59Å; F20-F41 HydrophobicContact CE1-CE1 3.59Å; F20-F41 HydrophobicContact CE1-CE2 4.47Å; F20-F41 AromaticContact CE1-CZ 3.49Å; F20-F41 HydrophobicContact CE1-CZ 3.49Å; F20-F41 VanDerWaalsContact CE1-CZ 3.49Å; L23-F41 HydrophobicContact CD1-CB 3.81Å; L23-F41 HydrophobicContact CD1-CD2 4.2Å; L23-F41 HydrophobicContact CD1-CG 3.95Å; L37-F41 WeakPolarHBondContact O-CB 3.3Å; L37-F41 PolarHBondContact O-N 2.88Å; N38-F41 WeakPolarHBondContact O-CB 3.44Å; N38-F41 PolarHBondContact O-N 3.06Å; D39-F41 VanDerWaalsContact C-N 3.3Å; D39-F41 PolarHBondContact O-N 3.45Å; F41-K43 VanDerWaalsContact C-N 3.35Å; F41-T50 HydrophobicContact CD1-CG2 4.05Å; F41-T50 HydrophobicContact CD2-CG2 4.4Å; F41-T50 HydrophobicContact CE1-CG2 3.41Å; F41-T50 VanDerWaalsContact CE1-CG2 3.41Å; F41-T50 HydrophobicContact CE2-CG2 3.8Å; F41-T50 HydrophobicContact CG-CG2 4.49Å; F41-T50 HydrophobicContact CZ-CG2 3.23Å; F41-T50 VanDerWaalsContact O-CB 3.25Å; F41-T50 WeakPolarHBondContact O-CB 3.44Å; F41-T50 PolarHBondContact O-OG1 3.42Å; F41-M54 HydrophobicContact CZ-CE 4.05Å; F41-W63 AromaticContact CD2-CH2 3.84Å; F41-W63 HydrophobicContact CD2-CH2 3.84Å; F41-W63 AromaticContact CD2-CZ2 3.51Å; F41-W63 HydrophobicContact CD2-CZ2 3.51Å; F41-W63 AromaticContact CE2-CH2 3.73Å; F41-W63 HydrophobicContact CE2-CH2 3.73Å; F41-W63 AromaticContact CE2-CZ2 3.42Å; F41-W63 HydrophobicContact CE2-CZ2 3.42Å; F41-W63 VanDerWaalsContact CE2-CZ2 3.42Å; F41-M67 HydrophobicContact CB-CE 3.77Å; F41-M67 HydrophobicContact CB-SD 4.3Å; F41-M67 HydrophobicContact CD2-CE 4.16Å; F41-M67 HydrophobicContact CD2-SD 4.32Å; F41-M67 HydrophobicContact CG-CE 4.5Å; F41-F92 HydrophobicContact CD2-CZ 4.03Å; F41-F92 HydrophobicContact CE2-CE1 4.22Å; F41-F92 AromaticContact CE2-CZ 3.88Å; F41-F92 HydrophobicContact CE2-CZ 3.88Å
42	H	88.3	Confident	90.4	Very high	119 Å²	119	57.4 Å²	57.4	55%	0.551	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	5.2	179.3	-63.9	92.3	0	0	0	113.6	N38 D39 G44 G45	N38-H42 PolarHBondContact O-N 2.82Å; N38-H42 PolarHBondContact O-ND1 3.31Å; D39-H42 PolarHBondContact O-N 2.93Å; H42-G44 PolarHBondContact O-N 2.97Å; H42-G45 PolarHBondContact O-N 3.31Å
43	K	89.1	Confident	90.7	Very high	66 Å²	66	56.7 Å²	56.7	29%	0.287	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	127.6	-175	-166.4	164.8	-169.6	156.7	0	111.6	D39 A40 F41 G45 G48 N70	D39-K43 PolarHBondContact O-N 3.36Å; A40-K43 VanDerWaalsContact O-CB 3.28Å; A40-K43 WeakPolarHBondContact O-CB 3.25Å; A40-K43 PolarHBondContact O-N 3.03Å; F41-K43 VanDerWaalsContact C-N 3.35Å; K43-G45 VanDerWaalsContact C-N 3.35Å; K43-G48 VanDerWaalsContact O-CA 3.29Å; K43-G48 WeakPolarHBondContact O-CA 3.35Å; K43-N70 HydrophobicContact CB-CB 4.4Å; K43-N70 HydrophobicContact CD-CB 4Å
44	G	84.8	Confident	90.9	Very high	56 Å²	56	55 Å²	55	58%	0.577	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-3.1	-177	0	0	0	0	0	114.7	H42 L46 E47 G48	H42-G44 PolarHBondContact O-N 2.97Å; G44-L46 PolarHBondContact O-N 2.93Å; G44-E47 PolarHBondContact O-N 3.35Å; G44-E47 VanDerWaalsContact O-N 3.14Å; G44-G48 PolarHBondContact O-N 3.03Å
45	G	87.3	Confident	91.2	Very high	42 Å²	42	46.7 Å²	46.7	43%	0.433	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	54.1	-130.5	177.2	0	0	0	0	0	112	H42 K43 E47 G48 T51	H42-G45 PolarHBondContact O-N 3.31Å; K43-G45 VanDerWaalsContact C-N 3.35Å; G45-E47 PolarHBondContact O-N 3.02Å; G45-G48 PolarHBondContact O-N 2.85Å; G45-T51 PolarHBondContact O-OG1 3.32Å
46	L	79.3	Confident	91.6	Very high	102 Å²	102	46.9 Å²	46.9	53%	0.534	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-65.4	-16.4	-178.1	-67.4	173.8	0	0	0	114.9	G44 T51	G44-L46 PolarHBondContact O-N 2.93Å; L46-T51 VanDerWaalsContact O-CG2 3.3Å; L46-T51 WeakPolarHBondContact O-CG2 3.34Å
47	E	85.8	Confident	91.8	Very high	180 Å²	180	51.4 Å²	51.4	84%	0.841	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-103.3	0.1	174.1	-61.3	-172.3	174.2	0	0	112.1	G44 G45	G44-E47 PolarHBondContact O-N 3.35Å; G44-E47 VanDerWaalsContact O-N 3.14Å; G45-E47 PolarHBondContact O-N 3.02Å
48	G	92.4	Very high	92.1	Very high	6 Å²	6	52 Å²	52	6%	0.062	28%	0.281	C	S	.	.	S	Bend	trans	-71.9	159.1	-177.2	0	0	0	0	0	113.6	K43 G44 G45 T50 T51 R52	K43-G48 VanDerWaalsContact O-CA 3.29Å; K43-G48 WeakPolarHBondContact O-CA 3.35Å; G44-G48 PolarHBondContact O-N 3.03Å; G45-G48 PolarHBondContact O-N 2.85Å; G48-T50 PolarHBondContact O-N 3.21Å; G48-T51 PolarHBondContact O-N 3.29Å; G48-T51 VanDerWaalsContact O-N 3.11Å; G48-R52 WeakPolarHBondContact O-CG 3.26Å; G48-R52 PolarHBondContact O-N 3.28Å; G48-R52 VanDerWaalsContact O-N 3.15Å
49	A	94.3	Very high	92.5	Very high	14 Å²	14	51.2 Å²	51.2	12%	0.116	28%	0.278	C	S	.	.	H	α-helix	trans	-54.5	-38.1	179.9	0	0	0	0	0	112.7	R52 L53 L66	A49-R52 WeakPolarHBondContact O-CB 3.45Å; A49-R52 PolarHBondContact O-N 3.5Å; A49-L53 PolarHBondContact O-N 3.06Å; A49-L66 HydrophobicContact CB-CB 3.85Å; A49-L66 HydrophobicContact CB-CD1 3.88Å
50	T	94.7	Very high	92.8	Very high	12 Å²	12	46 Å²	46	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-41.3	178.7	-57.9	0	0	0	0	112.7	F41 G48 R52 L53 M54 W63	F41-T50 HydrophobicContact CD1-CG2 4.05Å; F41-T50 HydrophobicContact CD2-CG2 4.4Å; F41-T50 HydrophobicContact CE1-CG2 3.41Å; F41-T50 VanDerWaalsContact CE1-CG2 3.41Å; F41-T50 HydrophobicContact CE2-CG2 3.8Å; F41-T50 HydrophobicContact CG-CG2 4.49Å; F41-T50 HydrophobicContact CZ-CG2 3.23Å; F41-T50 VanDerWaalsContact O-CB 3.25Å; F41-T50 WeakPolarHBondContact O-CB 3.44Å; F41-T50 PolarHBondContact O-OG1 3.42Å; G48-T50 PolarHBondContact O-N 3.21Å; T50-R52 VanDerWaalsContact C-N 3.31Å; T50-R52 PolarHBondContact O-N 2.8Å; T50-L53 WeakPolarHBondContact O-CB 3.28Å; T50-L53 PolarHBondContact O-N 2.85Å; T50-M54 HydrophobicContact CG2-CE 4.27Å; T50-M54 HydrophobicContact CG2-CG 4.34Å; T50-M54 WeakPolarHBondContact O-CG 3.5Å; T50-M54 PolarHBondContact O-N 2.85Å; T50-W63 PolarHBondContact OG1-NE1 3.35Å
51	T	94.4	Very high	93	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-39.3	175.2	-65.2	0	0	0	0	111	G45 L46 G48 L53 M54 R55 V159	G45-T51 PolarHBondContact O-OG1 3.32Å; L46-T51 VanDerWaalsContact O-CG2 3.3Å; L46-T51 WeakPolarHBondContact O-CG2 3.34Å; G48-T51 PolarHBondContact O-N 3.29Å; G48-T51 VanDerWaalsContact O-N 3.11Å; T51-L53 VanDerWaalsContact C-N 3.35Å; T51-L53 PolarHBondContact O-N 2.72Å; T51-M54 PolarHBondContact O-N 3.13Å; T51-R55 HydrophobicContact CG2-CG 4.36Å; T51-R55 WeakPolarHBondContact O-CB 3.41Å; T51-R55 WeakPolarHBondContact O-CG 3.11Å; T51-R55 PolarHBondContact O-N 3.12Å; T51-V159 HydrophobicContact CG2-CG2 4.13Å
52	R	97.1	Very high	93.3	Very high	97 Å²	97	53.3 Å²	53.3	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-42.5	173.9	-62.2	-179.4	57.5	-148.5	-7.8	112.3	G48 A49 T50 R55 G56 E57 I58	G48-R52 WeakPolarHBondContact O-CG 3.26Å; G48-R52 PolarHBondContact O-N 3.28Å; G48-R52 VanDerWaalsContact O-N 3.15Å; A49-R52 WeakPolarHBondContact O-CB 3.45Å; A49-R52 PolarHBondContact O-N 3.5Å; T50-R52 VanDerWaalsContact C-N 3.31Å; T50-R52 PolarHBondContact O-N 2.8Å; R52-R55 PolarHBondContact O-N 3.48Å; R52-G56 PolarHBondContact O-N 3Å; R52-E57 HydrophobicContact CB-CB 4.2Å; R52-E57 VanDerWaalsContact CG-OE2 3.23Å; R52-E57 WeakPolarHBondContact CG-OE2 3.41Å; R52-E57 IonicContact NE-OE2 2.76Å; R52-E57 PolarHBondContact NE-OE2 2.91Å; R52-E57 WeakPolarHBondContact O-CB 3.4Å; R52-E57 PolarHBondContact O-N 3.45Å; R52-I58 HydrophobicContact CB-CD1 4.32Å; R52-I58 HydrophobicContact CB-CG1 4.28Å
53	L	97.3	Very high	93.8	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-49.8	172.7	173.6	68.7	0	0	0	111.2	A49 T50 T51 R55 G56 I58 T59 L60 W63 W126	A49-L53 PolarHBondContact O-N 3.06Å; T50-L53 WeakPolarHBondContact O-CB 3.28Å; T50-L53 PolarHBondContact O-N 2.85Å; T51-L53 VanDerWaalsContact C-N 3.35Å; T51-L53 PolarHBondContact O-N 2.72Å; L53-R55 VanDerWaalsContact C-N 3.28Å; L53-R55 PolarHBondContact O-N 2.77Å; L53-G56 PolarHBondContact O-N 3.33Å; L53-I58 HydrophobicContact CB-CD1 4.43Å; L53-I58 HydrophobicContact CB-CG1 4.12Å; L53-I58 WeakPolarHBondContact CD1-O 3.46Å; L53-T59 VanDerWaalsContact CD1-C 3.49Å; L53-L60 HydrophobicContact CD1-CB 4.43Å; L53-L60 HydrophobicContact CD2-CD1 4.05Å; L53-W63 HydrophobicContact CB-CB 4.21Å; L53-W63 HydrophobicContact CB-CG 4.05Å; L53-W63 HydrophobicContact CD1-CB 3.97Å; L53-W63 HydrophobicContact CD1-CG 4.44Å; L53-W63 HydrophobicContact CD2-CB 3.97Å; L53-W63 HydrophobicContact CD2-CD2 3.69Å; L53-W63 HydrophobicContact CD2-CE3 4.21Å; L53-W63 HydrophobicContact CD2-CG 3.57Å; L53-W63 HydrophobicContact CG-CB 4.26Å; L53-W63 HydrophobicContact CG-CG 4.21Å; L53-W126 HydrophobicContact CD1-CB 3.58Å; L53-W126 HydrophobicContact CD1-CG 4.47Å; L53-W126 HydrophobicContact CD2-CB 4.02Å; L53-W126 HydrophobicContact CD2-CG 4.45Å; L53-W126 HydrophobicContact CG-CB 3.64Å
54	M	96.7	Very high	94.1	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.044	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-25.5	-176.5	-64.5	-65.5	174.3	0	0	112.7	F20 F41 T50 T51 G56 N124 W126 S153 C154 V159	F20-M54 HydrophobicContact CE1-CE 4.33Å; F20-M54 HydrophobicContact CZ-CE 4.19Å; F41-M54 HydrophobicContact CZ-CE 4.05Å; T50-M54 HydrophobicContact CG2-CE 4.27Å; T50-M54 HydrophobicContact CG2-CG 4.34Å; T50-M54 WeakPolarHBondContact O-CG 3.5Å; T50-M54 PolarHBondContact O-N 2.85Å; T51-M54 PolarHBondContact O-N 3.13Å; M54-G56 VanDerWaalsContact C-N 3.3Å; M54-N124 HydrophobicContact SD-CB 4.15Å; M54-W126 HydrophobicContact CE-CE3 3.65Å; M54-W126 HydrophobicContact CE-CZ3 3.92Å; M54-W126 HydrophobicContact SD-CE3 4Å; M54-S153 CarbonylContact O-C 3.55Å; M54-S153 WeakPolarHBondContact O-CB 3.39Å; M54-S153 PolarHBondContact O-OG 3.27Å; M54-C154 VanDerWaalsContact O-CA 3.28Å; M54-C154 WeakPolarHBondContact O-CA 3.35Å; M54-C154 PolarHBondContact O-N 3.08Å; M54-V159 HydrophobicContact CB-CG1 3.47Å; M54-V159 VanDerWaalsContact CB-CG1 3.47Å
55	R	97.3	Very high	94.7	Very high	66 Å²	66	46 Å²	46	25%	0.249	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.5	170.5	-71.2	-175.1	-174.3	152.3	-0.2	113.7	T51 R52 L53 E57 V159 E162	T51-R55 HydrophobicContact CG2-CG 4.36Å; T51-R55 WeakPolarHBondContact O-CB 3.41Å; T51-R55 WeakPolarHBondContact O-CG 3.11Å; T51-R55 PolarHBondContact O-N 3.12Å; R52-R55 PolarHBondContact O-N 3.48Å; L53-R55 VanDerWaalsContact C-N 3.28Å; L53-R55 PolarHBondContact O-N 2.77Å; R55-E57 VanDerWaalsContact C-N 3.33Å; R55-E57 HydrophobicContact CB-CG 4.14Å; R55-E57 WeakPolarHBondContact CD-OE1 3.48Å; R55-E57 IonicContact NH1-OE1 3.57Å; R55-V159 HydrophobicContact CG-CG1 3.76Å; R55-E162 IonicContact CZ-OE1 2.84Å; R55-E162 IonicContact NE-OE1 3.41Å; R55-E162 PolarHBondContact NE-OE1 2.84Å; R55-E162 IonicContact NH2-OE1 2.73Å; R55-E162 PolarHBondContact NH2-OE1 2.92Å
56	G	97.3	Very high	95.2	Very high	21 Å²	21	46.6 Å²	46.6	22%	0.216	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	15.2	-179.2	0	0	0	0	0	114.5	R52 L53 M54 I58	R52-G56 PolarHBondContact O-N 3Å; L53-G56 PolarHBondContact O-N 3.33Å; M54-G56 VanDerWaalsContact C-N 3.3Å; G56-I58 VanDerWaalsContact C-N 3.3Å
57	E	97.9	Very high	96	Very high	100 Å²	100	41.9 Å²	41.9	47%	0.467	22%	0.217	S	C	.	.	S	Bend	trans	-72.9	-25.1	177.3	-59	173.2	-155.7	0	0	112.5	R52 R55	R52-E57 HydrophobicContact CB-CB 4.2Å; R52-E57 VanDerWaalsContact CG-OE2 3.23Å; R52-E57 WeakPolarHBondContact CG-OE2 3.41Å; R52-E57 IonicContact NE-OE2 2.76Å; R52-E57 PolarHBondContact NE-OE2 2.91Å; R52-E57 WeakPolarHBondContact O-CB 3.4Å; R52-E57 PolarHBondContact O-N 3.45Å; R55-E57 VanDerWaalsContact C-N 3.33Å; R55-E57 HydrophobicContact CB-CG 4.14Å; R55-E57 WeakPolarHBondContact CD-OE1 3.48Å; R55-E57 IonicContact NH1-OE1 3.57Å
58	I	97.9	Very high	96.4	Very high	14 Å²	14	36 Å²	36	7%	0.072	19%	0.19	C	C	.	.	S	Bend	trans	-138.9	157	175.7	60.4	174.8	0	0	0	109.8	R52 L53 G56 Q62 W63 L66	R52-I58 HydrophobicContact CB-CD1 4.32Å; R52-I58 HydrophobicContact CB-CG1 4.28Å; L53-I58 HydrophobicContact CB-CD1 4.43Å; L53-I58 HydrophobicContact CB-CG1 4.12Å; L53-I58 WeakPolarHBondContact CD1-O 3.46Å; G56-I58 VanDerWaalsContact C-N 3.3Å; I58-Q62 HydrophobicContact CB-CB 4.16Å; I58-W63 HydrophobicContact CD1-CB 3.97Å; I58-L66 HydrophobicContact CD1-CD1 3.79Å
59	T	97.8	Very high	96.5	Very high	30 Å²	30	39.4 Å²	39.4	18%	0.184	20%	0.204	C	C	.	.			trans	-86.2	167.6	176.6	71.1	0	0	0	0	112.4	L53 S61 Q62 W63 L127 D129	L53-T59 VanDerWaalsContact CD1-C 3.49Å; T59-S61 VanDerWaalsContact C-N 3.31Å; T59-S61 PolarHBondContact O-N 3.05Å; T59-Q62 PolarHBondContact O-N 2.86Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.35Å; T59-Q62 PolarHBondContact OG1-N 2.9Å; T59-W63 PolarHBondContact O-N 3.35Å; T59-L127 HydrophobicContact CG2-CB 4.45Å; T59-D129 VanDerWaalsContact CB-CG 3.43Å; T59-D129 WeakPolarHBondContact CB-OD2 3.47Å; T59-D129 VanDerWaalsContact OG1-CG 3.25Å; T59-D129 PolarHBondContact OG1-OD1 3.25Å; T59-D129 PolarHBondContact OG1-OD2 2.84Å
60	L	96.3	Very high	96.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-40.9	177.6	-176.3	62.7	0	0	0	112.1	L53 Q62 W63 I64 I96 L127 R130	L53-L60 HydrophobicContact CD1-CB 4.43Å; L53-L60 HydrophobicContact CD2-CD1 4.05Å; L60-Q62 VanDerWaalsContact C-N 3.3Å; L60-Q62 PolarHBondContact O-N 2.9Å; L60-W63 HydrophobicContact CD1-CE3 3.76Å; L60-W63 HydrophobicContact CD1-CZ3 4.22Å; L60-W63 PolarHBondContact O-N 3.05Å; L60-W63 VanDerWaalsContact O-N 3.14Å; L60-I64 HydrophobicContact CG-CD1 4.46Å; L60-I64 WeakPolarHBondContact O-CG1 3.14Å; L60-I64 PolarHBondContact O-N 3.39Å; L60-I96 HydrophobicContact CD2-CD1 4.29Å; L60-L127 PolarHBondContact N-O 3.44Å; L60-R130 HydrophobicContact CD2-CG 4.05Å; L60-R130 VanDerWaalsContact CD2-NE 3.3Å
61	S	96.4	Very high	96.6	Very high	52 Å²	52	39.1 Å²	39.1	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-33.2	177.7	-58	0	0	0	0	113	T59 P65 D129	T59-S61 VanDerWaalsContact C-N 3.31Å; T59-S61 PolarHBondContact O-N 3.05Å; S61-P65 VanDerWaalsContact O-CD 3.24Å; S61-P65 WeakPolarHBondContact O-CD 3.26Å; S61-D129 WeakPolarHBondContact CB-OD1 3.39Å; S61-D129 WeakPolarHBondContact CB-OD2 3.48Å; S61-D129 PolarHBondContact N-OD1 2.78Å; S61-D129 PolarHBondContact OG-OD1 2.82Å; S61-D129 PolarHBondContact OG-OD2 2.98Å
62	Q	97.5	Very high	96.5	Very high	107 Å²	107	44.6 Å²	44.6	50%	0.5	22%	0.218	S	C	.	.	H	α-helix	trans	-73.8	-31	173.2	-68.8	174.6	-33.4	0	0	112.6	I58 T59 L60 P65	I58-Q62 HydrophobicContact CB-CB 4.16Å; T59-Q62 PolarHBondContact O-N 2.86Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.35Å; T59-Q62 PolarHBondContact OG1-N 2.9Å; L60-Q62 VanDerWaalsContact C-N 3.3Å; L60-Q62 PolarHBondContact O-N 2.9Å; Q62-P65 WeakPolarHBondContact O-CD 3.28Å; Q62-P65 WeakPolarHBondContact O-CG 3.35Å
63	W	97.7	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-75.4	-36.7	179.7	173.5	89.5	0	0	0	113.5	F41 T50 L53 I58 T59 L60 L66 M67 V88 F92	F41-W63 AromaticContact CD2-CH2 3.84Å; F41-W63 HydrophobicContact CD2-CH2 3.84Å; F41-W63 AromaticContact CD2-CZ2 3.51Å; F41-W63 HydrophobicContact CD2-CZ2 3.51Å; F41-W63 AromaticContact CE2-CH2 3.73Å; F41-W63 HydrophobicContact CE2-CH2 3.73Å; F41-W63 AromaticContact CE2-CZ2 3.42Å; F41-W63 HydrophobicContact CE2-CZ2 3.42Å; F41-W63 VanDerWaalsContact CE2-CZ2 3.42Å; T50-W63 PolarHBondContact OG1-NE1 3.35Å; L53-W63 HydrophobicContact CB-CB 4.21Å; L53-W63 HydrophobicContact CB-CG 4.05Å; L53-W63 HydrophobicContact CD1-CB 3.97Å; L53-W63 HydrophobicContact CD1-CG 4.44Å; L53-W63 HydrophobicContact CD2-CB 3.97Å; L53-W63 HydrophobicContact CD2-CD2 3.69Å; L53-W63 HydrophobicContact CD2-CE3 4.21Å; L53-W63 HydrophobicContact CD2-CG 3.57Å; L53-W63 HydrophobicContact CG-CB 4.26Å; L53-W63 HydrophobicContact CG-CG 4.21Å; I58-W63 HydrophobicContact CD1-CB 3.97Å; T59-W63 PolarHBondContact O-N 3.35Å; L60-W63 HydrophobicContact CD1-CE3 3.76Å; L60-W63 HydrophobicContact CD1-CZ3 4.22Å; L60-W63 PolarHBondContact O-N 3.05Å; L60-W63 VanDerWaalsContact O-N 3.14Å; W63-L66 WeakPolarHBondContact O-CA 3.33Å; W63-L66 WeakPolarHBondContact O-CB 3.49Å; W63-L66 PolarHBondContact O-N 3.23Å; W63-M67 HydrophobicContact CD2-CB 4.11Å; W63-M67 HydrophobicContact CE3-CB 4.14Å; W63-M67 HydrophobicContact CH2-CB 3.64Å; W63-M67 HydrophobicContact CH2-CG 3.43Å; W63-M67 VanDerWaalsContact CH2-CG 3.43Å; W63-M67 HydrophobicContact CH2-SD 4.07Å; W63-M67 HydrophobicContact CZ2-CB 3.59Å; W63-M67 HydrophobicContact CZ2-CG 3.59Å; W63-M67 HydrophobicContact CZ2-SD 3.76Å; W63-M67 HydrophobicContact CZ3-CB 3.92Å; W63-M67 HydrophobicContact CZ3-CG 4.07Å; W63-M67 PolarHBondContact O-N 3.47Å; W63-V88 HydrophobicContact CH2-CG1 4.24Å; W63-V88 HydrophobicContact CZ3-CG1 3.79Å; W63-F92 HydrophobicContact CH2-CD2 4.37Å; W63-F92 HydrophobicContact CH2-CE1 4.01Å; W63-F92 AromaticContact CH2-CE2 3.69Å; W63-F92 HydrophobicContact CH2-CE2 3.69Å; W63-F92 AromaticContact CH2-CZ 3.49Å; W63-F92 HydrophobicContact CH2-CZ 3.49Å; W63-F92 VanDerWaalsContact CH2-CZ 3.49Å; W63-F92 HydrophobicContact CZ3-CD1 4.46Å; W63-F92 HydrophobicContact CZ3-CD2 4.23Å; W63-F92 HydrophobicContact CZ3-CE1 4.25Å; W63-F92 HydrophobicContact CZ3-CE2 4.01Å; W63-F92 HydrophobicContact CZ3-CG 4.45Å; W63-F92 HydrophobicContact CZ3-CZ 4.03Å
64	I	96.6	Very high	96.1	Very high	18 Å²	18	44.7 Å²	44.7	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-46.8	-53.5	-179.5	-74.6	164.4	0	0	0	113.3	L60 L66 M67 E68 V88 N89	L60-I64 HydrophobicContact CG-CD1 4.46Å; L60-I64 WeakPolarHBondContact O-CG1 3.14Å; L60-I64 PolarHBondContact O-N 3.39Å; I64-L66 VanDerWaalsContact C-N 3.29Å; I64-L66 PolarHBondContact O-N 3.12Å; I64-M67 PolarHBondContact O-N 3.32Å; I64-E68 PolarHBondContact O-N 2.88Å; I64-V88 HydrophobicContact CG1-CG1 4.46Å; I64-V88 HydrophobicContact CG2-CB 4.35Å; I64-V88 HydrophobicContact CG2-CG1 4.49Å; I64-N89 HydrophobicContact CD1-CB 4Å; I64-N89 WeakPolarHBondContact CD1-OD1 3.33Å; I64-N89 HydrophobicContact CG2-CB 4.18Å
65	P	97.1	Very high	95.9	Very high	69 Å²	69	44.7 Å²	44.7	45%	0.448	22%	0.223	S	C	.	.	H	α-helix	trans	-65.8	-30.2	-180	24.8	-34.8	0	0	0	113.3	S61 Q62 E68 E69	S61-P65 VanDerWaalsContact O-CD 3.24Å; S61-P65 WeakPolarHBondContact O-CD 3.26Å; Q62-P65 WeakPolarHBondContact O-CD 3.28Å; Q62-P65 WeakPolarHBondContact O-CG 3.35Å; P65-E68 PolarHBondContact O-N 3.45Å; P65-E69 PolarHBondContact O-N 3.31Å
66	L	97	Very high	95.7	Very high	56 Å²	56	48.1 Å²	48.1	29%	0.293	24%	0.242	S	C	.	.	H	α-helix	trans	-68.9	-39.9	175.5	-56.7	176.4	0	0	0	111	A49 I58 W63 I64 E69 N70	A49-L66 HydrophobicContact CB-CB 3.85Å; A49-L66 HydrophobicContact CB-CD1 3.88Å; I58-L66 HydrophobicContact CD1-CD1 3.79Å; W63-L66 WeakPolarHBondContact O-CA 3.33Å; W63-L66 WeakPolarHBondContact O-CB 3.49Å; W63-L66 PolarHBondContact O-N 3.23Å; I64-L66 VanDerWaalsContact C-N 3.29Å; I64-L66 PolarHBondContact O-N 3.12Å; L66-E69 PolarHBondContact O-N 3.04Å; L66-N70 PolarHBondContact O-N 3.23Å
67	M	95.7	Very high	95.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-41.6	174.2	-179.4	58.9	-179.3	0	0	111.5	A40 F41 W63 I64 E69 N70 C71 V88	A40-M67 HydrophobicContact CB-CE 3.98Å; A40-M67 HydrophobicContact CB-SD 4.34Å; F41-M67 HydrophobicContact CB-CE 3.77Å; F41-M67 HydrophobicContact CB-SD 4.3Å; F41-M67 HydrophobicContact CD2-CE 4.16Å; F41-M67 HydrophobicContact CD2-SD 4.32Å; F41-M67 HydrophobicContact CG-CE 4.5Å; W63-M67 HydrophobicContact CD2-CB 4.11Å; W63-M67 HydrophobicContact CE3-CB 4.14Å; W63-M67 HydrophobicContact CH2-CB 3.64Å; W63-M67 HydrophobicContact CH2-CG 3.43Å; W63-M67 VanDerWaalsContact CH2-CG 3.43Å; W63-M67 HydrophobicContact CH2-SD 4.07Å; W63-M67 HydrophobicContact CZ2-CB 3.59Å; W63-M67 HydrophobicContact CZ2-CG 3.59Å; W63-M67 HydrophobicContact CZ2-SD 3.76Å; W63-M67 HydrophobicContact CZ3-CB 3.92Å; W63-M67 HydrophobicContact CZ3-CG 4.07Å; W63-M67 PolarHBondContact O-N 3.47Å; I64-M67 PolarHBondContact O-N 3.32Å; M67-E69 VanDerWaalsContact C-N 3.31Å; M67-E69 PolarHBondContact O-N 3.38Å; M67-N70 WeakPolarHBondContact O-CB 3.39Å; M67-N70 PolarHBondContact O-N 2.89Å; M67-N70 VanDerWaalsContact O-N 3.13Å; M67-C71 PolarHBondContact O-N 3.39Å; M67-C71 PolarHBondContact O-SG 3.18Å; M67-C71 VanDerWaalsContact O-SG 3.33Å; M67-V88 HydrophobicContact CB-CG1 4.08Å; M67-V88 HydrophobicContact CB-CG2 4.4Å; M67-V88 HydrophobicContact CG-CB 4.47Å; M67-V88 HydrophobicContact CG-CG1 3.78Å; M67-V88 HydrophobicContact CG-CG2 3.86Å
68	E	95.4	Very high	94.9	Very high	58 Å²	58	50.8 Å²	50.8	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-37.8	175.3	-74	-173.2	174.6	0	0	112.7	I64 P65 C71 R72 V88	I64-E68 PolarHBondContact O-N 2.88Å; P65-E68 PolarHBondContact O-N 3.45Å; E68-C71 PolarHBondContact O-N 3.13Å; E68-R72 WeakPolarHBondContact O-CG 3.42Å; E68-R72 PolarHBondContact O-N 3.42Å; E68-V88 HydrophobicContact CB-CG2 4.47Å; E68-V88 HydrophobicContact CG-CB 3.79Å; E68-V88 HydrophobicContact CG-CG2 3.43Å; E68-V88 VanDerWaalsContact CG-CG2 3.43Å; E68-V88 PolarHBondContact OE1-N 2.99Å; E68-V88 VanDerWaalsContact OE1-N 3.14Å
69	E	95	Very high	94.6	Very high	77 Å²	77	59 Å²	59	36%	0.36	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-42.5	171.4	-168.7	-175.2	164.2	0	0	112	P65 L66 M67 R72 K73	P65-E69 PolarHBondContact O-N 3.31Å; L66-E69 PolarHBondContact O-N 3.04Å; M67-E69 VanDerWaalsContact C-N 3.31Å; M67-E69 PolarHBondContact O-N 3.38Å; E69-R72 PolarHBondContact O-N 2.85Å; E69-K73 HydrophobicContact CG-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 3.06Å; E69-K73 WeakPolarHBondContact OE1-CE 3.29Å; E69-K73 IonicContact OE1-NZ 3.37Å; E69-K73 PolarHBondContact OE1-NZ 3.13Å
70	N	95.1	Very high	94.2	Very high	19 Å²	19	59.8 Å²	59.8	10%	0.102	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-44.5	175.8	-73.9	-14.8	0	0	0	111.9	A40 K43 L66 M67 K73 C74	A40-N70 HydrophobicContact CB-CB 4.09Å; A40-N70 WeakPolarHBondContact O-CB 3.48Å; A40-N70 PolarHBondContact O-ND2 3.23Å; K43-N70 HydrophobicContact CB-CB 4.4Å; K43-N70 HydrophobicContact CD-CB 4Å; L66-N70 PolarHBondContact O-N 3.23Å; M67-N70 WeakPolarHBondContact O-CB 3.39Å; M67-N70 PolarHBondContact O-N 2.89Å; M67-N70 VanDerWaalsContact O-N 3.13Å; N70-K73 PolarHBondContact O-N 3.09Å; N70-C74 PolarHBondContact O-N 3.44Å; N70-C74 PolarHBondContact O-SG 3.14Å
71	C	94.3	Very high	93.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-46.6	175.5	-70.1	0	0	0	0	111.5	A40 M67 E68 C74 S75 L82 F86	A40-C71 HydrophobicContact CB-CB 4.44Å; M67-C71 PolarHBondContact O-N 3.39Å; M67-C71 PolarHBondContact O-SG 3.18Å; M67-C71 VanDerWaalsContact O-SG 3.33Å; E68-C71 PolarHBondContact O-N 3.13Å; C71-C74 PolarHBondContact O-N 3.07Å; C71-S75 WeakPolarHBondContact O-CB 3.32Å; C71-S75 PolarHBondContact O-N 3.37Å; C71-S75 PolarHBondContact O-OG 3.48Å; C71-L82 HydrophobicContact CB-CD1 3.91Å; C71-F86 HydrophobicContact CB-CE1 3.97Å; C71-F86 HydrophobicContact CB-CZ 4.19Å
72	R	93.6	Very high	93.7	Very high	138 Å²	138	64 Å²	64	52%	0.521	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-50.7	176.8	-77.4	-176	-70.7	178.4	-0.3	111.6	E68 E69 C74 S75 E76 L82	E68-R72 WeakPolarHBondContact O-CG 3.42Å; E68-R72 PolarHBondContact O-N 3.42Å; E69-R72 PolarHBondContact O-N 2.85Å; R72-C74 VanDerWaalsContact C-N 3.33Å; R72-C74 PolarHBondContact O-N 3.29Å; R72-S75 WeakPolarHBondContact CA-OG 3.4Å; R72-S75 PolarHBondContact O-N 3.19Å; R72-S75 VanDerWaalsContact O-N 3.12Å; R72-S75 PolarHBondContact O-OG 3.44Å; R72-E76 WeakPolarHBondContact O-CG 3.43Å; R72-E76 PolarHBondContact O-N 2.9Å; R72-L82 HydrophobicContact CG-CD1 4.15Å
73	K	92.9	Very high	93.4	Very high	86 Å²	86	60.9 Å²	60.9	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-40.8	178.2	-71	175.2	-177.9	167.4	0	112.5	E69 N70 T77	E69-K73 HydrophobicContact CG-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 3.06Å; E69-K73 WeakPolarHBondContact OE1-CE 3.29Å; E69-K73 IonicContact OE1-NZ 3.37Å; E69-K73 PolarHBondContact OE1-NZ 3.13Å; N70-K73 PolarHBondContact O-N 3.09Å; K73-T77 PolarHBondContact O-N 2.86Å; K73-T77 VanDerWaalsContact O-N 3.16Å; K73-T77 PolarHBondContact O-OG1 3.22Å; K73-T77 VanDerWaalsContact O-OG1 3.12Å
74	C	92.6	Very high	93	Very high	15 Å²	15	71.5 Å²	71.5	10%	0.101	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-38.2	176.4	-67.9	0	0	0	0	111.7	L36 A40 N70 C71 R72 T77 S78	L36-C74 HydrophobicContact CG-CB 4.31Å; A40-C74 HydrophobicContact CB-CB 4.39Å; N70-C74 PolarHBondContact O-N 3.44Å; N70-C74 PolarHBondContact O-SG 3.14Å; C71-C74 PolarHBondContact O-N 3.07Å; R72-C74 VanDerWaalsContact C-N 3.33Å; R72-C74 PolarHBondContact O-N 3.29Å; C74-T77 PolarHBondContact O-N 2.83Å; C74-S78 PolarHBondContact O-N 3Å; C74-S78 PolarHBondContact O-OG 3.34Å
75	S	92.7	Very high	92.7	Very high	8 Å²	8	77 Å²	77	6%	0.056	40%	0.398	C	S	.	.	H	α-helix	trans	-65	-38	176.4	75.6	0	0	0	0	112.9	C71 R72 S78 E79 V80	C71-S75 WeakPolarHBondContact O-CB 3.32Å; C71-S75 PolarHBondContact O-N 3.37Å; C71-S75 PolarHBondContact O-OG 3.48Å; R72-S75 WeakPolarHBondContact CA-OG 3.4Å; R72-S75 PolarHBondContact O-N 3.19Å; R72-S75 VanDerWaalsContact O-N 3.12Å; R72-S75 PolarHBondContact O-OG 3.44Å; S75-S78 CarbonylContact O-C 3.57Å; S75-S78 PolarHBondContact O-N 3.15Å; S75-E79 PolarHBondContact O-N 2.99Å; S75-V80 CarbonylContact C-O 3.51Å; S75-V80 VanDerWaalsContact CB-O 3.24Å; S75-V80 WeakPolarHBondContact CB-O 3.49Å; S75-V80 PolarHBondContact O-N 3.34Å; S75-V80 VanDerWaalsContact O-O 3.04Å
76	E	92	Very high	92.6	Very high	138 Å²	138	75.2 Å²	75.2	65%	0.645	38%	0.383	S	S	*	.	H	α-helix	trans	-62.5	-46.2	172.5	-71.7	168.2	-171.7	0	0	111.5	R72 S78 E79	R72-E76 WeakPolarHBondContact O-CG 3.43Å; R72-E76 PolarHBondContact O-N 2.9Å; E76-S78 VanDerWaalsContact C-N 3.28Å; E76-S78 PolarHBondContact O-N 3.04Å; E76-E79 PolarHBondContact O-N 3.1Å
77	T	90.7	Very high	92.5	Very high	118 Å²	118	73.9 Å²	73.9	72%	0.724	38%	0.379	S	S	*	.	H	α-helix	trans	-62.4	-34.3	176	-56.9	0	0	0	0	112.7	K73 C74 E79	K73-T77 PolarHBondContact O-N 2.86Å; K73-T77 VanDerWaalsContact O-N 3.16Å; K73-T77 PolarHBondContact O-OG1 3.22Å; K73-T77 VanDerWaalsContact O-OG1 3.12Å; C74-T77 PolarHBondContact O-N 2.83Å; T77-E79 VanDerWaalsContact C-N 3.32Å
78	S	88.9	Confident	92.4	Very high	59 Å²	59	73.9 Å²	73.9	41%	0.413	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.2	178.3	-59.6	0	0	0	0	114	C74 S75 E76 V80	C74-S78 PolarHBondContact O-N 3Å; C74-S78 PolarHBondContact O-OG 3.34Å; S75-S78 CarbonylContact O-C 3.57Å; S75-S78 PolarHBondContact O-N 3.15Å; E76-S78 VanDerWaalsContact C-N 3.28Å; E76-S78 PolarHBondContact O-N 3.04Å; S78-V80 PolarHBondContact O-N 2.96Å
79	E	90.8	Very high	92.3	Very high	186 Å²	186	74.3 Å²	74.3	87%	0.869	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	33.6	-177.4	-57.8	-175.7	170.8	0	0	113.9	S75 E76 T77	S75-E79 PolarHBondContact O-N 2.99Å; E76-E79 PolarHBondContact O-N 3.1Å; T77-E79 VanDerWaalsContact C-N 3.32Å
80	V	90.8	Very high	92.1	Very high	48 Å²	48	75.6 Å²	75.6	29%	0.291	39%	0.389	S	S	.	.			trans	-119.9	143.5	178.3	175.7	0	0	0	0	110.2	L32 P33 S75 S78	L32-V80 HydrophobicContact CD2-CG1 4.22Å; P33-V80 HydrophobicContact CG-CB 4.25Å; P33-V80 HydrophobicContact CG-CG2 3.65Å; S75-V80 CarbonylContact C-O 3.51Å; S75-V80 VanDerWaalsContact CB-O 3.24Å; S75-V80 WeakPolarHBondContact CB-O 3.49Å; S75-V80 PolarHBondContact O-N 3.34Å; S75-V80 VanDerWaalsContact O-O 3.04Å; S78-V80 PolarHBondContact O-N 2.96Å
81	S	89.7	Confident	92	Very high	109 Å²	109	75.9 Å²	75.9	76%	0.762	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-93	132	174	-64.2	0	0	0	0	111.5
82	L	91.6	Very high	91.8	Very high	34 Å²	34	76.2 Å²	76.2	18%	0.178	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-68.4	146.8	169.5	-64.8	171.4	0	0	0	110.7	L32 L36 C71 R72 F86	L32-L82 HydrophobicContact CD1-CD2 4.13Å; L32-L82 HydrophobicContact CD2-CD2 4.06Å; L36-L82 HydrophobicContact CD2-CD2 4.44Å; C71-L82 HydrophobicContact CB-CD1 3.91Å; R72-L82 HydrophobicContact CG-CD1 4.15Å; L82-F86 HydrophobicContact CB-CB 4.32Å; L82-F86 HydrophobicContact CB-CG 4.38Å; L82-F86 HydrophobicContact CD1-CD1 4.07Å; L82-F86 HydrophobicContact CD1-CE1 4.18Å; L82-F86 HydrophobicContact CD2-CD2 4.37Å; L82-F86 HydrophobicContact CD2-CE2 4.39Å
83	P	91.9	Very high	91.7	Very high	40 Å²	40	70.4 Å²	70.4	26%	0.26	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-56.3	147.5	174.3	-25.6	34.4	0	0	0	112.8	L30 N85 F86	L30-P83 HydrophobicContact CB-CG 4.48Å; L30-P83 HydrophobicContact CD1-CG 4.36Å; L30-P83 HydrophobicContact CD2-CG 4.34Å; P83-N85 PolarHBondContact O-N 3.14Å; P83-N85 VanDerWaalsContact O-N 3.12Å; P83-F86 WeakPolarHBondContact O-CB 3.43Å; P83-F86 PolarHBondContact O-N 2.95Å
84	K	89.1	Confident	91.6	Very high	224 Å²	224	73.1 Å²	73.1	97%	0.974	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.2	-177.9	-71.1	-173.5	178.2	-178.4	0	114.2
85	N	90.8	Very high	91.4	Very high	132 Å²	132	72.6 Å²	72.6	71%	0.706	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	17.5	179.5	63.5	-36.8	0	0	0	112.6	P83 S87	P83-N85 PolarHBondContact O-N 3.14Å; P83-N85 VanDerWaalsContact O-N 3.12Å; N85-S87 PolarHBondContact O-N 3.29Å
86	F	93.6	Very high	91.3	Very high	33 Å²	33	72.7 Å²	72.7	15%	0.145	38%	0.383	C	S	.	.			trans	-62.9	125.2	175.5	-179.4	-95	0	0	0	110.1	L30 L37 C71 L82 P83 V88 I91	L30-F86 HydrophobicContact CD1-CD2 4.06Å; L30-F86 HydrophobicContact CD1-CE2 4.4Å; L37-F86 HydrophobicContact CD1-CE2 4.46Å; L37-F86 HydrophobicContact CD2-CE2 3.93Å; L37-F86 HydrophobicContact CD2-CZ 3.76Å; C71-F86 HydrophobicContact CB-CE1 3.97Å; C71-F86 HydrophobicContact CB-CZ 4.19Å; L82-F86 HydrophobicContact CB-CB 4.32Å; L82-F86 HydrophobicContact CB-CG 4.38Å; L82-F86 HydrophobicContact CD1-CD1 4.07Å; L82-F86 HydrophobicContact CD1-CE1 4.18Å; L82-F86 HydrophobicContact CD2-CD2 4.37Å; L82-F86 HydrophobicContact CD2-CE2 4.39Å; P83-F86 WeakPolarHBondContact O-CB 3.43Å; P83-F86 PolarHBondContact O-N 2.95Å; F86-V88 HydrophobicContact CE1-CG2 3.76Å; F86-V88 HydrophobicContact CZ-CG2 4.05Å; F86-I91 HydrophobicContact CD2-CD1 4.07Å; F86-I91 HydrophobicContact CE2-CD1 3.54Å; F86-I91 HydrophobicContact CZ-CD1 4.01Å
87	S	94.7	Very high	91.2	Very high	27 Å²	27	70.4 Å²	70.4	19%	0.189	38%	0.383	C	S	.	.			trans	-141.5	116.9	-179.2	169.6	0	0	0	0	109.3	N85 N89 E90 I91	N85-S87 PolarHBondContact O-N 3.29Å; S87-N89 PolarHBondContact O-N 2.84Å; S87-E90 PolarHBondContact O-N 3.16Å; S87-E90 PolarHBondContact OG-N 3.44Å; S87-I91 WeakPolarHBondContact O-CD1 3.22Å; S87-I91 VanDerWaalsContact O-CG1 3.31Å; S87-I91 WeakPolarHBondContact O-CG1 3.41Å; S87-I91 PolarHBondContact O-N 3.49Å
88	V	93.7	Very high	91.2	Very high	3 Å²	3	67.4 Å²	67.4	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-37.1	176.5	168.9	0	0	0	0	109.8	W63 I64 M67 E68 F86 E90 I91 F92	W63-V88 HydrophobicContact CH2-CG1 4.24Å; W63-V88 HydrophobicContact CZ3-CG1 3.79Å; I64-V88 HydrophobicContact CG1-CG1 4.46Å; I64-V88 HydrophobicContact CG2-CB 4.35Å; I64-V88 HydrophobicContact CG2-CG1 4.49Å; M67-V88 HydrophobicContact CB-CG1 4.08Å; M67-V88 HydrophobicContact CB-CG2 4.4Å; M67-V88 HydrophobicContact CG-CB 4.47Å; M67-V88 HydrophobicContact CG-CG1 3.78Å; M67-V88 HydrophobicContact CG-CG2 3.86Å; E68-V88 HydrophobicContact CB-CG2 4.47Å; E68-V88 HydrophobicContact CG-CB 3.79Å; E68-V88 HydrophobicContact CG-CG2 3.43Å; E68-V88 VanDerWaalsContact CG-CG2 3.43Å; E68-V88 PolarHBondContact OE1-N 2.99Å; E68-V88 VanDerWaalsContact OE1-N 3.14Å; F86-V88 HydrophobicContact CE1-CG2 3.76Å; F86-V88 HydrophobicContact CZ-CG2 4.05Å; V88-E90 VanDerWaalsContact C-N 3.34Å; V88-E90 PolarHBondContact O-N 2.95Å; V88-I91 PolarHBondContact O-N 3.02Å; V88-F92 HydrophobicContact CG1-CD2 3.67Å; V88-F92 HydrophobicContact CG1-CE2 3.95Å; V88-F92 WeakPolarHBondContact O-CD2 3.32Å; V88-F92 PolarHBondContact O-N 3.44Å
89	N	93.1	Very high	91.2	Very high	66 Å²	66	65.4 Å²	65.4	35%	0.353	35%	0.353	S	S	.	.	H	α-helix	trans	-59	-44.3	177.5	-172.7	45.9	0	0	0	112.1	I64 S87 G93	I64-N89 HydrophobicContact CD1-CB 4Å; I64-N89 WeakPolarHBondContact CD1-OD1 3.33Å; I64-N89 HydrophobicContact CG2-CB 4.18Å; S87-N89 PolarHBondContact O-N 2.84Å; N89-G93 WeakPolarHBondContact O-CA 3.5Å; N89-G93 PolarHBondContact O-N 3.39Å
90	E	92.4	Very high	91.4	Very high	105 Å²	105	63.9 Å²	63.9	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-40.5	178.5	-74	-170.8	-161.5	0	0	112.7	S87 V88 G93 K94	S87-E90 PolarHBondContact O-N 3.16Å; S87-E90 PolarHBondContact OG-N 3.44Å; V88-E90 VanDerWaalsContact C-N 3.34Å; V88-E90 PolarHBondContact O-N 2.95Å; E90-G93 PolarHBondContact O-N 2.7Å; E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 WeakPolarHBondContact O-CG 3.3Å; E90-K94 PolarHBondContact O-N 3.21Å; E90-K94 IonicContact OE2-NZ 3.87Å
91	I	92	Very high	91.6	Very high	24 Å²	24	62.4 Å²	62.4	12%	0.123	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-51.6	179.8	-66.5	160.8	0	0	0	109.8	V22 T26 F86 S87 V88 K94 A95	V22-I91 HydrophobicContact CG1-CG2 4.07Å; T26-I91 HydrophobicContact CG2-CD1 3.81Å; T26-I91 HydrophobicContact CG2-CG1 4.06Å; T26-I91 HydrophobicContact CG2-CG2 4.3Å; F86-I91 HydrophobicContact CD2-CD1 4.07Å; F86-I91 HydrophobicContact CE2-CD1 3.54Å; F86-I91 HydrophobicContact CZ-CD1 4.01Å; S87-I91 WeakPolarHBondContact O-CD1 3.22Å; S87-I91 VanDerWaalsContact O-CG1 3.31Å; S87-I91 WeakPolarHBondContact O-CG1 3.41Å; S87-I91 PolarHBondContact O-N 3.49Å; V88-I91 PolarHBondContact O-N 3.02Å; I91-K94 PolarHBondContact O-N 2.93Å; I91-A95 WeakPolarHBondContact O-CB 3.44Å; I91-A95 PolarHBondContact O-N 3.37Å
92	F	90.9	Very high	91.9	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-70.2	-35.7	178.6	-83.1	-99.7	0	0	0	112.3	V19 L23 F41 W63 V88 A95 I96	V19-F92 HydrophobicContact CG1-CD1 4.01Å; V19-F92 HydrophobicContact CG1-CE1 3.92Å; L23-F92 HydrophobicContact CD2-CE2 3.96Å; L23-F92 HydrophobicContact CD2-CZ 4.09Å; F41-F92 HydrophobicContact CD2-CZ 4.03Å; F41-F92 HydrophobicContact CE2-CE1 4.22Å; F41-F92 AromaticContact CE2-CZ 3.88Å; F41-F92 HydrophobicContact CE2-CZ 3.88Å; W63-F92 HydrophobicContact CH2-CD2 4.37Å; W63-F92 HydrophobicContact CH2-CE1 4.01Å; W63-F92 AromaticContact CH2-CE2 3.69Å; W63-F92 HydrophobicContact CH2-CE2 3.69Å; W63-F92 AromaticContact CH2-CZ 3.49Å; W63-F92 HydrophobicContact CH2-CZ 3.49Å; W63-F92 VanDerWaalsContact CH2-CZ 3.49Å; W63-F92 HydrophobicContact CZ3-CD1 4.46Å; W63-F92 HydrophobicContact CZ3-CD2 4.23Å; W63-F92 HydrophobicContact CZ3-CE1 4.25Å; W63-F92 HydrophobicContact CZ3-CE2 4.01Å; W63-F92 HydrophobicContact CZ3-CG 4.45Å; W63-F92 HydrophobicContact CZ3-CZ 4.03Å; V88-F92 HydrophobicContact CG1-CD2 3.67Å; V88-F92 HydrophobicContact CG1-CE2 3.95Å; V88-F92 WeakPolarHBondContact O-CD2 3.32Å; V88-F92 PolarHBondContact O-N 3.44Å; F92-A95 WeakPolarHBondContact O-CB 3.4Å; F92-A95 PolarHBondContact O-N 3.35Å; F92-I96 HydrophobicContact CB-CD1 4.45Å; F92-I96 WeakPolarHBondContact O-CB 3.2Å; F92-I96 WeakPolarHBondContact O-CD1 3.37Å; F92-I96 VanDerWaalsContact O-CG1 3.22Å; F92-I96 WeakPolarHBondContact O-CG1 3.5Å; F92-I96 PolarHBondContact O-N 3.38Å
93	G	90.4	Very high	91.9	Very high	16 Å²	16	61.6 Å²	61.6	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-50.9	-57.4	170.6	0	0	0	0	0	112	N89 E90 A95 I96 S97	N89-G93 WeakPolarHBondContact O-CA 3.5Å; N89-G93 PolarHBondContact O-N 3.39Å; E90-G93 PolarHBondContact O-N 2.7Å; G93-A95 PolarHBondContact O-N 3.31Å; G93-I96 PolarHBondContact O-N 2.82Å; G93-S97 PolarHBondContact O-N 2.95Å; G93-S97 VanDerWaalsContact O-N 3.1Å; G93-S97 PolarHBondContact O-OG 3.39Å
94	K	90.4	Very high	92.1	Very high	142 Å²	142	62.9 Å²	62.9	62%	0.617	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-41.1	178.1	-70.9	168.8	-176.5	161.3	0	112.1	E90 I91 A98	E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 WeakPolarHBondContact O-CG 3.3Å; E90-K94 PolarHBondContact O-N 3.21Å; E90-K94 IonicContact OE2-NZ 3.87Å; I91-K94 PolarHBondContact O-N 2.93Å; K94-A98 VanDerWaalsContact O-CB 3.23Å; K94-A98 WeakPolarHBondContact O-CB 3.23Å; K94-A98 PolarHBondContact O-N 3.25Å
95	A	89.7	Confident	92.5	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-50.9	178.3	0	0	0	0	0	112.3	V19 V22 I91 F92 G93 A98 R99	V19-A95 HydrophobicContact CG1-CB 4.18Å; V22-A95 HydrophobicContact CB-CB 4.05Å; V22-A95 HydrophobicContact CG1-CB 4.03Å; V22-A95 HydrophobicContact CG2-CB 3.66Å; I91-A95 WeakPolarHBondContact O-CB 3.44Å; I91-A95 PolarHBondContact O-N 3.37Å; F92-A95 WeakPolarHBondContact O-CB 3.4Å; F92-A95 PolarHBondContact O-N 3.35Å; G93-A95 PolarHBondContact O-N 3.31Å; A95-A98 PolarHBondContact O-N 3.24Å; A95-R99 PolarHBondContact O-N 2.82Å
96	I	90.7	Very high	92.7	Very high	10 Å²	10	46 Å²	46	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-42.7	-176	-65.6	162.6	0	0	0	110.2	V19 L60 F92 G93 A98 R99 W126 R130 L136	V19-I96 HydrophobicContact CG2-CG1 4.37Å; L60-I96 HydrophobicContact CD2-CD1 4.29Å; F92-I96 HydrophobicContact CB-CD1 4.45Å; F92-I96 WeakPolarHBondContact O-CB 3.2Å; F92-I96 WeakPolarHBondContact O-CD1 3.37Å; F92-I96 VanDerWaalsContact O-CG1 3.22Å; F92-I96 WeakPolarHBondContact O-CG1 3.5Å; F92-I96 PolarHBondContact O-N 3.38Å; G93-I96 PolarHBondContact O-N 2.82Å; I96-A98 VanDerWaalsContact C-N 3.33Å; I96-A98 PolarHBondContact O-N 2.83Å; I96-R99 WeakPolarHBondContact O-CB 3.49Å; I96-R99 PolarHBondContact O-N 3.1Å; I96-W126 HydrophobicContact CD1-CZ2 3.63Å; I96-W126 HydrophobicContact CG1-CZ2 4.04Å; I96-R130 VanDerWaalsContact CD1-NH2 3.29Å; I96-L136 HydrophobicContact CG2-CB 4.09Å
97	S	88.7	Confident	92.7	Very high	90 Å²	90	47.7 Å²	47.7	63%	0.629	25%	0.25	S	C	*	.	H	α-helix	trans	-69	-27	177.6	-60.6	0	0	0	0	113.9	G93 R99	G93-S97 PolarHBondContact O-N 2.95Å; G93-S97 VanDerWaalsContact O-N 3.1Å; G93-S97 PolarHBondContact O-OG 3.39Å; S97-R99 VanDerWaalsContact C-N 3.28Å
98	A	90.5	Very high	92.7	Very high	55 Å²	55	46.5 Å²	46.5	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-77.2	-16.9	176.3	0	0	0	0	0	113	K94 A95 I96	K94-A98 VanDerWaalsContact O-CB 3.23Å; K94-A98 WeakPolarHBondContact O-CB 3.23Å; K94-A98 PolarHBondContact O-N 3.25Å; A95-A98 PolarHBondContact O-N 3.24Å; I96-A98 VanDerWaalsContact C-N 3.33Å; I96-A98 PolarHBondContact O-N 2.83Å
99	R	90.6	Very high	92.9	Very high	17 Å²	17	46.4 Å²	46.4	6%	0.064	24%	0.241	C	C	.	.			trans	-72.6	134.7	-176.4	-163.5	172.8	71.8	176.8	3	111.2	D11 A15 A95 I96 S97 L139	D11-R99 IonicContact OD1-NH1 2.78Å; D11-R99 PolarHBondContact OD1-NH1 3.01Å; A15-R99 HydrophobicContact CB-CG 3.74Å; A95-R99 PolarHBondContact O-N 2.82Å; I96-R99 WeakPolarHBondContact O-CB 3.49Å; I96-R99 PolarHBondContact O-N 3.1Å; S97-R99 VanDerWaalsContact C-N 3.28Å; R99-L139 HydrophobicContact CG-CD1 4.45Å
100	K	93.4	Very high	92.8	Very high	154 Å²	154	45.4 Å²	45.4	67%	0.67	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.1	178.3	-62.6	-174.4	-179.5	-176.2	0	110	A15 L16 N102	A15-K100 CarbonylContact C-O 3.56Å; A15-K100 VanDerWaalsContact CA-O 3.29Å; A15-K100 WeakPolarHBondContact CA-O 3.45Å; L16-K100 PolarHBondContact N-O 3.32Å; L16-K100 PolarHBondContact O-N 3.19Å; K100-N102 PolarHBondContact O-N 3.37Å
101	I	94.8	Very high	92.9	Very high	17 Å²	17	43 Å²	43	9%	0.087	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	130.7	174.3	-65.9	173.3	0	0	0	110	L14 R103 L106 L139 E142 L143	L14-I101 CarbonylContact O-C 3.6Å; L14-I101 WeakPolarHBondContact O-CA 3.43Å; I101-R103 PolarHBondContact O-N 3.22Å; I101-L106 HydrophobicContact CG2-CB 4.09Å; I101-L106 HydrophobicContact CG2-CD2 3.81Å; I101-L139 HydrophobicContact CG1-CG 4.17Å; I101-E142 HydrophobicContact CD1-CB 4.07Å; I101-E142 HydrophobicContact CD1-CG 3.77Å; I101-E142 VanDerWaalsContact CD1-OE2 3.3Å; I101-E142 WeakPolarHBondContact CD1-OE2 3.39Å; I101-L143 HydrophobicContact CD1-CD2 3.88Å; I101-L143 HydrophobicContact CD1-CG 3.83Å; I101-L143 HydrophobicContact CG1-CD1 4.26Å; I101-L143 HydrophobicContact CG1-CD2 3.91Å; I101-L143 HydrophobicContact CG1-CG 3.91Å; I101-L143 HydrophobicContact CG2-CD2 3.92Å
102	N	96.6	Very high	93.1	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.059	22%	0.219	C	C	.	.			trans	-72.7	89.5	168	-174.5	-3.9	0	0	0	109.1	V13 L14 L16 K100 P104 M105 L106 T206	V13-N102 VanDerWaalsContact O-CB 3.24Å; V13-N102 WeakPolarHBondContact O-CB 3.44Å; V13-N102 PolarHBondContact O-ND2 2.83Å; L14-N102 PolarHBondContact O-N 3.2Å; L16-N102 HydrophobicContact CD1-CB 3.98Å; L16-N102 WeakPolarHBondContact CD1-ND2 3.26Å; L16-N102 HydrophobicContact CG-CB 4.09Å; K100-N102 PolarHBondContact O-N 3.37Å; N102-P104 WeakPolarHBondContact OD1-CD 3.28Å; N102-M105 HydrophobicContact CB-CB 4.02Å; N102-M105 WeakPolarHBondContact ND2-CB 3.37Å; N102-M105 PolarHBondContact O-N 2.91Å; N102-M105 VanDerWaalsContact O-N 3.14Å; N102-L106 PolarHBondContact O-N 2.83Å; N102-T206 PolarHBondContact ND2-OG1 2.71Å
103	R	92.5	Very high	93.3	Very high	115 Å²	115	44.7 Å²	44.7	43%	0.434	23%	0.231	S	C	.	.	H	α-helix	trans	-56.9	-46.6	-172.7	-64.3	-67	-177.1	-172	-3.6	113.1	I101 M105 L106 Q107 E142	I101-R103 PolarHBondContact O-N 3.22Å; R103-M105 VanDerWaalsContact C-N 3.33Å; R103-M105 PolarHBondContact O-N 2.84Å; R103-L106 PolarHBondContact O-N 2.96Å; R103-Q107 WeakPolarHBondContact O-CG 3.42Å; R103-Q107 PolarHBondContact O-N 3.41Å; R103-E142 IonicContact CZ-OE1 3.25Å; R103-E142 IonicContact NH1-OE1 2.77Å; R103-E142 PolarHBondContact NH1-OE1 3.43Å; R103-E142 IonicContact NH2-OE1 2.71Å; R103-E142 PolarHBondContact NH2-OE1 3.17Å; R103-E142 IonicContact NH2-OE2 2.65Å
104	P	94.6	Very high	93.3	Very high	67 Å²	67	52.3 Å²	52.3	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-57	-42.3	175.1	-25.9	33.5	0	0	0	113.7	N102 Q107 A108 T206 L210	N102-P104 WeakPolarHBondContact OD1-CD 3.28Å; P104-Q107 PolarHBondContact O-N 3.25Å; P104-A108 PolarHBondContact O-N 3.09Å; P104-T206 HydrophobicContact CB-CG2 3.92Å; P104-L210 HydrophobicContact CB-CD1 4.12Å
105	M	97.5	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-41.9	177.8	-171	62.8	72.1	0	0	112.1	F8 V13 L14 N102 R103 Q107 A108 A109 L183 V203 T206 A209 L210	F8-M105 HydrophobicContact CD1-CG 4.13Å; F8-M105 HydrophobicContact CD1-SD 3.91Å; F8-M105 HydrophobicContact CE1-CG 4.35Å; F8-M105 HydrophobicContact CE1-SD 3.77Å; V13-M105 HydrophobicContact CG1-CE 4.18Å; V13-M105 HydrophobicContact CG1-CG 4.02Å; V13-M105 HydrophobicContact CG1-SD 4.29Å; L14-M105 HydrophobicContact CD2-CB 4.4Å; L14-M105 HydrophobicContact CD2-CG 3.85Å; N102-M105 HydrophobicContact CB-CB 4.02Å; N102-M105 WeakPolarHBondContact ND2-CB 3.37Å; N102-M105 PolarHBondContact O-N 2.91Å; N102-M105 VanDerWaalsContact O-N 3.14Å; R103-M105 VanDerWaalsContact C-N 3.33Å; R103-M105 PolarHBondContact O-N 2.84Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 3.42Å; M105-A108 PolarHBondContact O-N 3.28Å; M105-A109 PolarHBondContact O-N 2.76Å; M105-L183 HydrophobicContact CE-CD2 4.36Å; M105-L183 HydrophobicContact SD-CD2 4.15Å; M105-V203 HydrophobicContact CE-CG1 4.28Å; M105-T206 HydrophobicContact CE-CG2 4.34Å; M105-A209 HydrophobicContact CE-CB 4.18Å; M105-L210 HydrophobicContact CE-CD2 4.23Å; M105-L210 HydrophobicContact SD-CD2 3.86Å
106	L	95.6	Very high	93.8	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-40.6	174.1	178	61.7	0	0	0	111.7	I101 N102 R103 A108 A109 L110 L143 H146 F147	I101-L106 HydrophobicContact CG2-CB 4.09Å; I101-L106 HydrophobicContact CG2-CD2 3.81Å; N102-L106 PolarHBondContact O-N 2.83Å; R103-L106 PolarHBondContact O-N 2.96Å; L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 2.96Å; L106-A109 WeakPolarHBondContact O-CB 3.49Å; L106-A109 PolarHBondContact O-N 3.48Å; L106-L110 HydrophobicContact CD1-CG 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.26Å; L106-L110 WeakPolarHBondContact O-CG 3.24Å; L106-L110 PolarHBondContact O-N 3.47Å; L106-L143 HydrophobicContact CD1-CD2 4.1Å; L106-L143 HydrophobicContact CD2-CD2 4.28Å; L106-H146 HydrophobicContact CD1-CB 3.91Å; L106-F147 HydrophobicContact CD1-CE2 3.81Å; L106-F147 HydrophobicContact CD1-CZ 4.2Å
107	Q	93.3	Very high	94.1	Very high	67 Å²	67	55.1 Å²	55.1	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-37.9	177.3	-69.7	-53.9	-29.7	0	0	112.5	R103 P104 M105 L110 M111 P227	R103-Q107 WeakPolarHBondContact O-CG 3.42Å; R103-Q107 PolarHBondContact O-N 3.41Å; P104-Q107 PolarHBondContact O-N 3.25Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 3.42Å; Q107-L110 PolarHBondContact O-N 3.48Å; Q107-M111 WeakPolarHBondContact O-CB 3.28Å; Q107-M111 PolarHBondContact O-N 2.98Å; Q107-P227 VanDerWaalsContact CD-CG 3.49Å; Q107-P227 HydrophobicContact CG-CG 4.2Å; Q107-P227 VanDerWaalsContact OE1-CG 3.24Å
108	A	95.7	Very high	94.6	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-44	172.8	0	0	0	0	0	111.9	P104 M105 L106 L110 M111 L112 L210 L213 L221	P104-A108 PolarHBondContact O-N 3.09Å; M105-A108 PolarHBondContact O-N 3.28Å; L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 2.96Å; A108-L110 PolarHBondContact O-N 3.21Å; A108-M111 PolarHBondContact O-N 2.65Å; A108-L112 WeakPolarHBondContact O-CG 3.37Å; A108-L112 PolarHBondContact O-N 3.25Å; A108-L210 HydrophobicContact CB-CD2 3.31Å; A108-L213 HydrophobicContact CB-CD2 4.47Å; A108-L221 HydrophobicContact CB-CB 4.27Å; A108-L221 HydrophobicContact CB-CD1 4.25Å; A108-L221 HydrophobicContact CB-CD2 4.27Å; A108-L221 HydrophobicContact CB-CG 4.48Å
109	A	96.6	Very high	95	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-44.4	175	0	0	0	0	0	112.2	F8 M105 L106 M111 L112 K113 F147	F8-A109 HydrophobicContact CD2-CB 4.45Å; F8-A109 HydrophobicContact CE1-CB 4.28Å; F8-A109 HydrophobicContact CE2-CB 3.81Å; F8-A109 HydrophobicContact CZ-CB 3.71Å; M105-A109 PolarHBondContact O-N 2.76Å; L106-A109 WeakPolarHBondContact O-CB 3.49Å; L106-A109 PolarHBondContact O-N 3.48Å; A109-M111 PolarHBondContact O-N 2.84Å; A109-L112 PolarHBondContact O-N 3.25Å; A109-K113 WeakPolarHBondContact O-CB 3.44Å; A109-K113 PolarHBondContact O-N 3.04Å; A109-F147 HydrophobicContact CB-CE1 3.69Å; A109-F147 HydrophobicContact CB-CZ 3.62Å
110	L	93	Very high	95.4	Very high	45 Å²	45	49.5 Å²	49.5	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-41.4	175.7	-72.5	173.3	0	0	0	112.4	L106 Q107 A108 K113 K114 H146	L106-L110 HydrophobicContact CD1-CG 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.26Å; L106-L110 WeakPolarHBondContact O-CG 3.24Å; L106-L110 PolarHBondContact O-N 3.47Å; Q107-L110 PolarHBondContact O-N 3.48Å; A108-L110 PolarHBondContact O-N 3.21Å; L110-K113 PolarHBondContact O-N 3.39Å; L110-K114 WeakPolarHBondContact O-CB 3.48Å; L110-K114 PolarHBondContact O-N 2.68Å; L110-H146 HydrophobicContact CD2-CB 3.76Å
111	M	93.8	Very high	95.6	Very high	54 Å²	54	42.1 Å²	42.1	27%	0.266	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-44.2	176.7	-177.1	58.7	70.2	0	0	111.6	Q107 A108 A109 K114 K115 I219 L221	Q107-M111 WeakPolarHBondContact O-CB 3.28Å; Q107-M111 PolarHBondContact O-N 2.98Å; A108-M111 PolarHBondContact O-N 2.65Å; A109-M111 PolarHBondContact O-N 2.84Å; M111-K114 WeakPolarHBondContact O-CB 3.39Å; M111-K114 PolarHBondContact O-N 2.61Å; M111-K115 WeakPolarHBondContact O-CG 3.37Å; M111-K115 PolarHBondContact O-N 3.29Å; M111-K115 HydrophobicContact SD-CG 4.48Å; M111-I219 HydrophobicContact CG-CG2 4Å; M111-L221 HydrophobicContact CB-CD2 3.88Å; M111-L221 HydrophobicContact CG-CD2 3.84Å
112	L	95.8	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-46.5	175.6	-69.5	178.5	0	0	0	111.1	A6 F8 A108 A109 K114 K115 G116 F117 L213 T217 I219 L221	A6-L112 HydrophobicContact CB-CD1 3.74Å; F8-L112 HydrophobicContact CZ-CD1 4.24Å; A108-L112 WeakPolarHBondContact O-CG 3.37Å; A108-L112 PolarHBondContact O-N 3.25Å; A109-L112 PolarHBondContact O-N 3.25Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.01Å; L112-K115 CarbonylContact O-C 3.05Å; L112-K115 WeakPolarHBondContact O-CA 3.43Å; L112-K115 PolarHBondContact O-N 3.42Å; L112-G116 PolarHBondContact O-N 3.18Å; L112-F117 HydrophobicContact CB-CB 4.03Å; L112-F117 HydrophobicContact CB-CD1 4.46Å; L112-F117 HydrophobicContact CB-CD2 4.43Å; L112-F117 HydrophobicContact CB-CG 4.06Å; L112-F117 HydrophobicContact CD2-CD1 4.49Å; L112-F117 HydrophobicContact CD2-CD2 4.37Å; L112-F117 HydrophobicContact CD2-CE1 4.44Å; L112-F117 HydrophobicContact CD2-CE2 4.35Å; L112-F117 HydrophobicContact CD2-CG 4.47Å; L112-F117 HydrophobicContact CD2-CZ 4.38Å; L112-F117 WeakPolarHBondContact O-CB 3.47Å; L112-F117 PolarHBondContact O-N 2.97Å; L112-L213 HydrophobicContact CD1-CD1 4.25Å; L112-L213 HydrophobicContact CD1-CD2 3.94Å; L112-L213 HydrophobicContact CD1-CG 4.25Å; L112-T217 HydrophobicContact CD2-CG2 3.91Å; L112-I219 HydrophobicContact CD2-CB 4.22Å; L112-I219 HydrophobicContact CD2-CD1 3.58Å; L112-I219 HydrophobicContact CD2-CG1 4.47Å; L112-I219 HydrophobicContact CD2-CG2 4.37Å; L112-L221 HydrophobicContact CD2-CD1 4.41Å; L112-L221 HydrophobicContact CD2-CD2 4.11Å; L112-L221 HydrophobicContact CG-CD2 4.12Å
113	K	94.8	Very high	95.9	Very high	68 Å²	68	41 Å²	41	30%	0.296	21%	0.208	S	C	.	.	H	α-helix	trans	-58.5	-44.4	175.3	-174.8	167.7	176.6	156.2	0	111.8	A109 L110 K115 G116 T119 H146 D148	A109-K113 WeakPolarHBondContact O-CB 3.44Å; A109-K113 PolarHBondContact O-N 3.04Å; L110-K113 PolarHBondContact O-N 3.39Å; K113-K115 PolarHBondContact O-N 2.97Å; K113-G116 PolarHBondContact O-N 2.99Å; K113-T119 HydrophobicContact CB-CG2 3.91Å; K113-H146 VanDerWaalsContact CD-O 3.23Å; K113-H146 WeakPolarHBondContact CD-O 3.49Å; K113-H146 PolarHBondContact NZ-O 2.9Å; K113-D148 WeakPolarHBondContact CE-OD1 3.34Å; K113-D148 IonicContact NZ-OD1 2.73Å; K113-D148 PolarHBondContact NZ-OD1 2.96Å
114	K	90.9	Very high	96.1	Very high	176 Å²	176	36.8 Å²	36.8	77%	0.765	19%	0.194	S	C	*	.	H	α-helix	trans	-60.3	-28.4	174.6	-174.3	175.7	-178.5	175.5	0	112.8	L110 M111 L112 G116	L110-K114 WeakPolarHBondContact O-CB 3.48Å; L110-K114 PolarHBondContact O-N 2.68Å; M111-K114 WeakPolarHBondContact O-CB 3.39Å; M111-K114 PolarHBondContact O-N 2.61Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.01Å; K114-G116 VanDerWaalsContact C-N 3.29Å
115	K	94.6	Very high	96.1	Very high	136 Å²	136	33.8 Å²	33.8	59%	0.591	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	9.8	174.5	-65.3	-66.1	-175.9	178.1	0	113.6	M111 L112 K113 I219	M111-K115 WeakPolarHBondContact O-CG 3.37Å; M111-K115 PolarHBondContact O-N 3.29Å; M111-K115 HydrophobicContact SD-CG 4.48Å; L112-K115 CarbonylContact O-C 3.05Å; L112-K115 WeakPolarHBondContact O-CA 3.43Å; L112-K115 PolarHBondContact O-N 3.42Å; K113-K115 PolarHBondContact O-N 2.97Å; K115-I219 HydrophobicContact CB-CD1 3.7Å; K115-I219 HydrophobicContact CG-CD1 4Å; K115-I219 HydrophobicContact CG-CG1 4.43Å; K115-I219 HydrophobicContact CG-CG2 4.11Å
116	G	95.6	Very high	96.1	Very high	61 Å²	61	34.7 Å²	34.7	63%	0.629	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.3	10.6	173.3	0	0	0	0	0	115	L112 K113 K114	L112-G116 PolarHBondContact O-N 3.18Å; K113-G116 PolarHBondContact O-N 2.99Å; K114-G116 VanDerWaalsContact C-N 3.29Å
117	F	98	Very high	96.2	Very high	19 Å²	19	37.4 Å²	37.4	8%	0.083	19%	0.193	C	C	.	.			trans	-72.4	140	173	-79.4	-122.7	0	0	0	110.6	L3 R4 A6 L112 T119 T217 I219	L3-F117 HydrophobicContact CB-CE1 3.84Å; L3-F117 HydrophobicContact CB-CZ 4.02Å; L3-F117 WeakPolarHBondContact O-CZ 3.34Å; R4-F117 VanDerWaalsContact O-CA 3.32Å; R4-F117 WeakPolarHBondContact O-CA 3.39Å; A6-F117 HydrophobicContact CB-CD1 4.13Å; L112-F117 HydrophobicContact CB-CB 4.03Å; L112-F117 HydrophobicContact CB-CD1 4.46Å; L112-F117 HydrophobicContact CB-CD2 4.43Å; L112-F117 HydrophobicContact CB-CG 4.06Å; L112-F117 HydrophobicContact CD2-CD1 4.49Å; L112-F117 HydrophobicContact CD2-CD2 4.37Å; L112-F117 HydrophobicContact CD2-CE1 4.44Å; L112-F117 HydrophobicContact CD2-CE2 4.35Å; L112-F117 HydrophobicContact CD2-CG 4.47Å; L112-F117 HydrophobicContact CD2-CZ 4.38Å; L112-F117 WeakPolarHBondContact O-CB 3.47Å; L112-F117 PolarHBondContact O-N 2.97Å; F117-T119 HydrophobicContact CB-CG2 4.39Å; F117-T217 HydrophobicContact CE1-CG2 4.03Å; F117-T217 HydrophobicContact CZ-CG2 4.03Å; F117-I219 HydrophobicContact CD2-CD1 4.11Å; F117-I219 HydrophobicContact CE2-CD1 3.48Å; F117-I219 VanDerWaalsContact CE2-CD1 3.48Å; F117-I219 HydrophobicContact CZ-CD1 4.14Å
118	T	98.4	Very high	96.3	Very high	43 Å²	43	35.5 Å²	35.5	26%	0.264	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.4	159.8	-54.6	0	0	0	0	109	R4 A5 A6 D148 F149 L173	R4-T118 PolarHBondContact O-N 3.33Å; A5-T118 CarbonylContact C-O 3.58Å; A5-T118 WeakPolarHBondContact CA-O 3.29Å; A6-T118 PolarHBondContact N-O 3.13Å; T118-D148 WeakPolarHBondContact CA-OD2 3.3Å; T118-D148 HydrophobicContact CG2-CB 4.21Å; T118-F149 HydrophobicContact CG2-CD2 4.06Å; T118-F149 HydrophobicContact CG2-CE2 3.67Å; T118-L173 HydrophobicContact CG2-CD2 3.71Å
119	T	98.6	Very high	96.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.6	-174.2	56.1	0	0	0	0	111.2	A6 K113 F117 D148 F149	A6-T119 WeakPolarHBondContact O-CA 3.49Å; K113-T119 HydrophobicContact CB-CG2 3.91Å; F117-T119 HydrophobicContact CB-CG2 4.39Å; T119-D148 PolarHBondContact N-OD2 3.49Å; T119-D148 WeakPolarHBondContact O-CB 3.46Å; T119-D148 PolarHBondContact O-N 2.73Å; T119-D148 PolarHBondContact OG1-OD2 3.49Å; T119-D148 VanDerWaalsContact OG1-OD2 3.12Å; T119-F149 PolarHBondContact O-N 2.82Å
120	A	98.7	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.2	178.5	0	0	0	0	0	113	A6 V7 F8 F149 L169 L173	A6-A120 PolarHBondContact O-N 3.08Å; V7-A120 WeakPolarHBondContact CA-O 3.5Å; V7-A120 HydrophobicContact CG1-CB 4.5Å; V7-A120 HydrophobicContact CG2-CB 4.34Å; F8-A120 PolarHBondContact N-O 3.31Å; A120-F149 CarbonylContact C-O 3.58Å; A120-F149 VanDerWaalsContact CA-O 3.25Å; A120-F149 WeakPolarHBondContact CA-O 3.37Å; A120-F149 HydrophobicContact CB-CB 3.92Å; A120-L169 HydrophobicContact CB-CD1 4.5Å; A120-L173 HydrophobicContact CB-CD2 4.01Å
121	I	98.8	Very high	96	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.1	164.8	-53.8	-179.1	0	0	0	107.9	F8 L10 L14 T123 L143 F147 F149 L150 I151	F8-I121 CarbonylContact O-C 3.6Å; F8-I121 WeakPolarHBondContact O-CA 3.47Å; L10-I121 HydrophobicContact CB-CG2 4.26Å; L14-I121 HydrophobicContact CD1-CD1 3.82Å; L14-I121 HydrophobicContact CD1-CG1 3.68Å; L14-I121 HydrophobicContact CD1-CG2 4.35Å; I121-T123 HydrophobicContact CG2-CG2 4.32Å; I121-L143 HydrophobicContact CD1-CB 4.06Å; I121-F147 HydrophobicContact CD1-CD2 3.57Å; I121-F147 HydrophobicContact CD1-CE2 3.79Å; I121-F147 HydrophobicContact CD1-CG 4.03Å; I121-F147 HydrophobicContact CD1-CZ 4.4Å; I121-F147 HydrophobicContact CG1-CB 4.25Å; I121-F147 HydrophobicContact CG1-CD1 3.8Å; I121-F147 HydrophobicContact CG1-CD2 3.68Å; I121-F147 HydrophobicContact CG1-CE1 4.06Å; I121-F147 HydrophobicContact CG1-CE2 3.95Å; I121-F147 HydrophobicContact CG1-CG 3.62Å; I121-F147 HydrophobicContact CG1-CZ 4.14Å; I121-F149 PolarHBondContact N-O 3.25Å; I121-L150 HydrophobicContact CB-CD1 3.73Å; I121-L150 HydrophobicContact CD1-CD1 4.36Å; I121-L150 HydrophobicContact CG2-CD1 3.82Å; I121-I151 PolarHBondContact O-N 2.83Å
122	L	98.6	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	106.2	171.2	175.9	64.4	0	0	0	109.6	V7 F8 I151 K160 I165 L169 F182	V7-L122 HydrophobicContact CG1-CB 3.72Å; F8-L122 PolarHBondContact O-N 3.24Å; L122-I151 HydrophobicContact CD1-CB 3.77Å; L122-I151 HydrophobicContact CD1-CG2 3.55Å; L122-K160 HydrophobicContact CD2-CD 3.99Å; L122-K160 HydrophobicContact CD2-CG 4.27Å; L122-K160 HydrophobicContact CG-CD 4.07Å; L122-K160 HydrophobicContact CG-CG 4.47Å; L122-K160 PolarHBondContact O-NZ 3.12Å; L122-I165 HydrophobicContact CD1-CD1 3.77Å; L122-I165 HydrophobicContact CD1-CG1 4.02Å; L122-L169 HydrophobicContact CD2-CD2 3.98Å; L122-F182 HydrophobicContact CB-CE2 4.32Å; L122-F182 HydrophobicContact CD2-CE2 4.16Å; L122-F182 HydrophobicContact CD2-CZ 4.15Å
123	T	97.9	Very high	95.6	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.5	-170.4	-176.4	0	0	0	0	113.2	L10 I121 T125 L150 I151 E152 S153	L10-T123 HydrophobicContact CB-CG2 4.33Å; L10-T123 WeakPolarHBondContact CB-OG1 3.29Å; L10-T123 HydrophobicContact CD2-CG2 4.41Å; I121-T123 HydrophobicContact CG2-CG2 4.32Å; T123-T125 HydrophobicContact CG2-CG2 3.88Å; T123-T125 PolarHBondContact O-N 2.98Å; T123-L150 HydrophobicContact CG2-CD1 4.35Å; T123-I151 PolarHBondContact N-O 2.82Å; T123-E152 HydrophobicContact CG2-CG 4.21Å; T123-S153 PolarHBondContact O-N 2.93Å
124	N	96.9	Very high	95.3	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.144	27%	0.268	C	S	.	.			trans	-79.7	105.2	160	-77.1	3	0	0	0	108	M54 S153 K160	M54-N124 HydrophobicContact SD-CB 4.15Å; N124-S153 VanDerWaalsContact CA-OG 3.31Å; N124-S153 WeakPolarHBondContact CA-OG 3.37Å; N124-K160 PolarHBondContact ND2-O 3.05Å; N124-K160 PolarHBondContact OD1-N 3.35Å
125	T	96.1	Very high	95.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.031	25%	0.253	C	S	.	.			trans	-136.4	178	-177.3	-167	0	0	0	0	110.4	T123 E152 S153 C154	T123-T125 HydrophobicContact CG2-CG2 3.88Å; T123-T125 PolarHBondContact O-N 2.98Å; T125-E152 HydrophobicContact CG2-CB 3.62Å; T125-E152 HydrophobicContact CG2-CG 3.82Å; T125-S153 PolarHBondContact N-OG 2.85Å; T125-S153 PolarHBondContact O-OG 2.94Å; T125-C154 WeakPolarHBondContact O-CB 3.36Å
126	W	96.6	Very high	94.8	Very high	18 Å²	18	38.4 Å²	38.4	7%	0.068	23%	0.228	C	C	.	.			trans	-131.3	166.9	-170.7	53.1	80.3	0	0	0	112.6	V19 L53 M54 I96 D128	V19-W126 HydrophobicContact CG1-CH2 4.37Å; L53-W126 HydrophobicContact CD1-CB 3.58Å; L53-W126 HydrophobicContact CD1-CG 4.47Å; L53-W126 HydrophobicContact CD2-CB 4.02Å; L53-W126 HydrophobicContact CD2-CG 4.45Å; L53-W126 HydrophobicContact CG-CB 3.64Å; M54-W126 HydrophobicContact CE-CE3 3.65Å; M54-W126 HydrophobicContact CE-CZ3 3.92Å; M54-W126 HydrophobicContact SD-CE3 4Å; I96-W126 HydrophobicContact CD1-CZ2 3.63Å; I96-W126 HydrophobicContact CG1-CZ2 4.04Å; W126-D128 PolarHBondContact O-N 3.42Å
127	L	97	Very high	94.5	Very high	60 Å²	60	37.7 Å²	37.7	31%	0.314	22%	0.216	S	C	.	.			trans	-81.4	104.9	167.9	-60.3	176.2	0	0	0	109.2	T59 L60 C154	T59-L127 HydrophobicContact CG2-CB 4.45Å; L60-L127 PolarHBondContact N-O 3.44Å; L127-C154 HydrophobicContact CD2-CB 4.38Å; L127-C154 HydrophobicContact CG-CB 4.23Å
128	D	96.1	Very high	94	Very high	26 Å²	26	43.3 Å²	43.3	14%	0.139	24%	0.242	C	C	.	.			trans	-88.9	105.4	-179.1	-164.4	-13	0	0	0	111.6	W126 R130 R133 L136	W126-D128 PolarHBondContact O-N 3.42Å; D128-R130 WeakPolarHBondContact OD1-CB 3.34Å; D128-R130 VanDerWaalsContact OD1-CG 3.3Å; D128-R130 WeakPolarHBondContact OD1-CG 3.49Å; D128-R130 IonicContact OD1-CZ 2.78Å; D128-R130 PolarHBondContact OD1-N 3.06Å; D128-R130 VanDerWaalsContact OD1-N 3.17Å; D128-R130 IonicContact OD1-NE 2.99Å; D128-R130 PolarHBondContact OD1-NE 3.19Å; D128-R130 IonicContact OD1-NH2 3.72Å; D128-R130 IonicContact OD2-CZ 3.83Å; D128-R130 IonicContact OD2-NE 3.34Å; D128-R130 PolarHBondContact OD2-NE 3.08Å; D128-R130 IonicContact OD2-NH2 3.58Å; D128-R130 PolarHBondContact OD2-NH2 3.16Å; D128-R133 HydrophobicContact CB-CB 4.25Å; D128-R133 WeakPolarHBondContact O-CD 3.49Å; D128-L136 HydrophobicContact CB-CD2 4.09Å; D128-L136 WeakPolarHBondContact OD2-CD2 3.38Å
129	D	96.1	Very high	93.6	Very high	68 Å²	68	42.1 Å²	42.1	36%	0.364	23%	0.234	S	C	.	.			trans	-107.5	14.6	179.8	63.9	-20.4	0	0	0	113	T59 S61	T59-D129 VanDerWaalsContact CB-CG 3.43Å; T59-D129 WeakPolarHBondContact CB-OD2 3.47Å; T59-D129 VanDerWaalsContact OG1-CG 3.25Å; T59-D129 PolarHBondContact OG1-OD1 3.25Å; T59-D129 PolarHBondContact OG1-OD2 2.84Å; S61-D129 WeakPolarHBondContact CB-OD1 3.39Å; S61-D129 WeakPolarHBondContact CB-OD2 3.48Å; S61-D129 PolarHBondContact N-OD1 2.78Å; S61-D129 PolarHBondContact OG-OD1 2.82Å; S61-D129 PolarHBondContact OG-OD2 2.98Å
130	R	93.5	Very high	93.3	Very high	10 Å²	10	42.9 Å²	42.9	4%	0.038	24%	0.238	C	C	.	.	S	Bend	trans	-66.5	162.4	177.2	-63.7	177.2	-61	151.4	6.8	111.8	L60 I96 D128 E132 R133	L60-R130 HydrophobicContact CD2-CG 4.05Å; L60-R130 VanDerWaalsContact CD2-NE 3.3Å; I96-R130 VanDerWaalsContact CD1-NH2 3.29Å; D128-R130 WeakPolarHBondContact OD1-CB 3.34Å; D128-R130 VanDerWaalsContact OD1-CG 3.3Å; D128-R130 WeakPolarHBondContact OD1-CG 3.49Å; D128-R130 IonicContact OD1-CZ 2.78Å; D128-R130 PolarHBondContact OD1-N 3.06Å; D128-R130 VanDerWaalsContact OD1-N 3.17Å; D128-R130 IonicContact OD1-NE 2.99Å; D128-R130 PolarHBondContact OD1-NE 3.19Å; D128-R130 IonicContact OD1-NH2 3.72Å; D128-R130 IonicContact OD2-CZ 3.83Å; D128-R130 IonicContact OD2-NE 3.34Å; D128-R130 PolarHBondContact OD2-NE 3.08Å; D128-R130 IonicContact OD2-NH2 3.58Å; D128-R130 PolarHBondContact OD2-NH2 3.16Å; R130-E132 PolarHBondContact O-N 3.21Å; R130-R133 WeakPolarHBondContact O-CB 3.48Å; R130-R133 WeakPolarHBondContact O-CG 3.47Å; R130-R133 PolarHBondContact O-N 2.77Å; R130-R133 PolarHBondContact O-NH1 3.43Å
131	A	90.1	Very high	92.9	Very high	84 Å²	84	45.9 Å²	45.9	69%	0.694	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.2	172	0	0	0	0	0	111.5
132	E	90.8	Very high	92.4	Very high	111 Å²	111	47.7 Å²	47.7	52%	0.519	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.9	-177.1	-53.6	78.2	-172	0	0	114.1	R130 D134 G135	R130-E132 PolarHBondContact O-N 3.21Å; E132-D134 PolarHBondContact O-N 2.74Å; E132-G135 PolarHBondContact O-N 3.12Å
133	R	90.6	Very high	92.1	Very high	120 Å²	120	47.7 Å²	47.7	45%	0.453	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.2	-175.3	70.9	-174.2	179.5	-72.3	-9.8	114.3	D128 R130 G135 L136 A137	D128-R133 HydrophobicContact CB-CB 4.25Å; D128-R133 WeakPolarHBondContact O-CD 3.49Å; R130-R133 WeakPolarHBondContact O-CB 3.48Å; R130-R133 WeakPolarHBondContact O-CG 3.47Å; R130-R133 PolarHBondContact O-N 2.77Å; R130-R133 PolarHBondContact O-NH1 3.43Å; R133-G135 PolarHBondContact O-N 3.47Å; R133-L136 PolarHBondContact O-N 3.06Å; R133-L136 VanDerWaalsContact O-N 3.1Å; R133-A137 PolarHBondContact O-N 2.54Å
134	D	86.5	Confident	91.8	Very high	96 Å²	96	52.4 Å²	52.4	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-32.4	-176.6	-72.4	-3.1	0	0	0	112.7	E132 A137 Q138	E132-D134 PolarHBondContact O-N 2.74Å; D134-A137 PolarHBondContact O-N 2.86Å; D134-Q138 WeakPolarHBondContact O-CB 3.37Å; D134-Q138 VanDerWaalsContact O-CG 3.28Å; D134-Q138 WeakPolarHBondContact O-CG 3.28Å; D134-Q138 PolarHBondContact O-N 3.32Å
135	G	86.8	Confident	91.3	Very high	43 Å²	43	55.6 Å²	55.6	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-41.3	176.8	0	0	0	0	0	112.9	E132 R133 L139	E132-G135 PolarHBondContact O-N 3.12Å; R133-G135 PolarHBondContact O-N 3.47Å; G135-L139 PolarHBondContact O-N 3.34Å
136	L	88.9	Confident	91.2	Very high	13 Å²	13	56 Å²	56	7%	0.068	31%	0.309	C	S	.	.	H	α-helix	trans	-70	-40.9	174.5	177.9	58.5	0	0	0	110.9	I96 D128 R133 Q138 L139 M140	I96-L136 HydrophobicContact CG2-CB 4.09Å; D128-L136 HydrophobicContact CB-CD2 4.09Å; D128-L136 WeakPolarHBondContact OD2-CD2 3.38Å; R133-L136 PolarHBondContact O-N 3.06Å; R133-L136 VanDerWaalsContact O-N 3.1Å; L136-Q138 VanDerWaalsContact C-N 3.3Å; L136-Q138 PolarHBondContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.17Å; L136-M140 HydrophobicContact CD1-CG 4.08Å; L136-M140 HydrophobicContact CG-CG 4.39Å; L136-M140 WeakPolarHBondContact O-CG 3.31Å; L136-M140 PolarHBondContact O-N 3.18Å
137	A	89.3	Confident	91.2	Very high	46 Å²	46	55.9 Å²	55.9	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-40.9	176.9	0	0	0	0	0	112	R133 D134 M140 C141	R133-A137 PolarHBondContact O-N 2.54Å; D134-A137 PolarHBondContact O-N 2.86Å; A137-M140 PolarHBondContact O-N 2.72Å; A137-C141 VanDerWaalsContact O-CB 3.25Å; A137-C141 WeakPolarHBondContact O-CB 3.46Å; A137-C141 PolarHBondContact O-N 3.36Å; A137-C141 PolarHBondContact O-SG 2.91Å; A137-C141 VanDerWaalsContact O-SG 3.35Å
138	Q	87.1	Confident	91.2	Very high	136 Å²	136	56.3 Å²	56.3	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-61	-49.3	175	-76.1	172.7	0.7	0	0	112	D134 L136 M140 C141 E142	D134-Q138 WeakPolarHBondContact O-CB 3.37Å; D134-Q138 VanDerWaalsContact O-CG 3.28Å; D134-Q138 WeakPolarHBondContact O-CG 3.28Å; D134-Q138 PolarHBondContact O-N 3.32Å; L136-Q138 VanDerWaalsContact C-N 3.3Å; L136-Q138 PolarHBondContact O-N 3.07Å; Q138-M140 VanDerWaalsContact C-N 3.33Å; Q138-M140 PolarHBondContact O-N 3.2Å; Q138-C141 PolarHBondContact O-N 2.74Å; Q138-E142 PolarHBondContact O-N 3.18Å
139	L	91.4	Very high	91.3	Very high	18 Å²	18	58.9 Å²	58.9	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-43.8	178.2	-177.7	151.9	0	0	0	111.7	L10 A15 R99 I101 G135 L136 E142 L143	L10-L139 HydrophobicContact CD1-CD2 4.18Å; A15-L139 HydrophobicContact CB-CD2 4.48Å; R99-L139 HydrophobicContact CG-CD1 4.45Å; I101-L139 HydrophobicContact CG1-CG 4.17Å; G135-L139 PolarHBondContact O-N 3.34Å; L136-L139 PolarHBondContact O-N 3.17Å; L139-E142 PolarHBondContact O-N 3.11Å; L139-L143 HydrophobicContact CD2-CD1 3.67Å; L139-L143 HydrophobicContact CG-CD1 4.47Å; L139-L143 PolarHBondContact O-N 3.21Å
140	M	92.6	Very high	91.4	Very high	17 Å²	17	58.1 Å²	58.1	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-69.2	-39.2	178.9	-68.1	-58.7	-71.5	0	0	112.3	L10 L136 A137 Q138 E142 L143 K144 L150	L10-M140 HydrophobicContact CD1-SD 4.09Å; L10-M140 HydrophobicContact CD2-CE 4.1Å; L10-M140 HydrophobicContact CD2-SD 3.42Å; L10-M140 WeakPolarHBondContact CD2-SD 3.36Å; L10-M140 HydrophobicContact CG-SD 4.41Å; L136-M140 HydrophobicContact CD1-CG 4.08Å; L136-M140 HydrophobicContact CG-CG 4.39Å; L136-M140 WeakPolarHBondContact O-CG 3.31Å; L136-M140 PolarHBondContact O-N 3.18Å; A137-M140 PolarHBondContact O-N 2.72Å; Q138-M140 VanDerWaalsContact C-N 3.33Å; Q138-M140 PolarHBondContact O-N 3.2Å; M140-E142 VanDerWaalsContact C-N 3.34Å; M140-L143 PolarHBondContact O-N 2.75Å; M140-K144 WeakPolarHBondContact O-CB 3.22Å; M140-K144 WeakPolarHBondContact O-CG 3.45Å; M140-K144 PolarHBondContact O-N 3.02Å; M140-L150 HydrophobicContact CE-CD1 3.83Å; M140-L150 HydrophobicContact CE-CD2 3.81Å; M140-L150 HydrophobicContact CE-CG 4.47Å
141	C	89.3	Confident	91.6	Very high	63 Å²	63	58 Å²	58	43%	0.426	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-37	175.9	-80.9	0	0	0	0	112.5	A137 Q138	A137-C141 VanDerWaalsContact O-CB 3.25Å; A137-C141 WeakPolarHBondContact O-CB 3.46Å; A137-C141 PolarHBondContact O-N 3.36Å; A137-C141 PolarHBondContact O-SG 2.91Å; A137-C141 VanDerWaalsContact O-SG 3.35Å; Q138-C141 PolarHBondContact O-N 2.74Å
142	E	88.4	Confident	92	Very high	38 Å²	38	56.3 Å²	56.3	18%	0.178	30%	0.295	C	S	.	.	H	α-helix	trans	-69.3	-45.8	174.5	-173.3	-177.3	168.6	0	0	111.7	I101 R103 Q138 L139 M140 T145 H146	I101-E142 HydrophobicContact CD1-CB 4.07Å; I101-E142 HydrophobicContact CD1-CG 3.77Å; I101-E142 VanDerWaalsContact CD1-OE2 3.3Å; I101-E142 WeakPolarHBondContact CD1-OE2 3.39Å; R103-E142 IonicContact CZ-OE1 3.25Å; R103-E142 IonicContact NH1-OE1 2.77Å; R103-E142 PolarHBondContact NH1-OE1 3.43Å; R103-E142 IonicContact NH2-OE1 2.71Å; R103-E142 PolarHBondContact NH2-OE1 3.17Å; R103-E142 IonicContact NH2-OE2 2.65Å; Q138-E142 PolarHBondContact O-N 3.18Å; L139-E142 PolarHBondContact O-N 3.11Å; M140-E142 VanDerWaalsContact C-N 3.34Å; E142-T145 PolarHBondContact O-OG1 2.93Å; E142-H146 PolarHBondContact O-CD2 2.86Å; E142-H146 PolarHBondContact O-NE2 2.97Å
143	L	92.4	Very high	92.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-48.4	-179.2	-77.9	175.4	0	0	0	112.2	L10 L14 I101 L106 I121 L139 M140 T145 H146 F147	L10-L143 HydrophobicContact CD1-CD1 3.35Å; L14-L143 HydrophobicContact CB-CD1 4.38Å; I101-L143 HydrophobicContact CD1-CD2 3.88Å; I101-L143 HydrophobicContact CD1-CG 3.83Å; I101-L143 HydrophobicContact CG1-CD1 4.26Å; I101-L143 HydrophobicContact CG1-CD2 3.91Å; I101-L143 HydrophobicContact CG1-CG 3.91Å; I101-L143 HydrophobicContact CG2-CD2 3.92Å; L106-L143 HydrophobicContact CD1-CD2 4.1Å; L106-L143 HydrophobicContact CD2-CD2 4.28Å; I121-L143 HydrophobicContact CD1-CB 4.06Å; L139-L143 HydrophobicContact CD2-CD1 3.67Å; L139-L143 HydrophobicContact CG-CD1 4.47Å; L139-L143 PolarHBondContact O-N 3.21Å; M140-L143 PolarHBondContact O-N 2.75Å; L143-T145 PolarHBondContact O-N 3Å; L143-T145 VanDerWaalsContact O-N 3.1Å; L143-H146 WeakPolarHBondContact O-CB 3.4Å; L143-H146 PolarHBondContact O-N 2.88Å; L143-F147 VanDerWaalsContact O-CD2 3.3Å; L143-F147 WeakPolarHBondContact O-CD2 3.49Å
144	K	90.6	Very high	92.7	Very high	101 Å²	101	45.9 Å²	45.9	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-29.4	-170	75.8	-173.6	-175.1	-174.8	0	113.5	M140 H146 F147 L150	M140-K144 WeakPolarHBondContact O-CB 3.22Å; M140-K144 WeakPolarHBondContact O-CG 3.45Å; M140-K144 PolarHBondContact O-N 3.02Å; K144-H146 PolarHBondContact O-N 3.23Å; K144-H146 VanDerWaalsContact O-N 3.16Å; K144-F147 PolarHBondContact O-N 3.47Å; K144-L150 HydrophobicContact CB-CD2 4.04Å
145	T	88.3	Confident	93.2	Very high	94 Å²	94	47.2 Å²	47.2	58%	0.577	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.7	179.5	50.2	0	0	0	0	113.4	E142 L143	E142-T145 PolarHBondContact O-OG1 2.93Å; L143-T145 PolarHBondContact O-N 3Å; L143-T145 VanDerWaalsContact O-N 3.1Å
146	H	92.8	Very high	93.8	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.069	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-14.4	-179	-61	-51.6	0	0	0	113.7	L106 L110 K113 E142 L143 K144	L106-H146 HydrophobicContact CD1-CB 3.91Å; L110-H146 HydrophobicContact CD2-CB 3.76Å; K113-H146 VanDerWaalsContact CD-O 3.23Å; K113-H146 WeakPolarHBondContact CD-O 3.49Å; K113-H146 PolarHBondContact NZ-O 2.9Å; E142-H146 PolarHBondContact O-CD2 2.86Å; E142-H146 PolarHBondContact O-NE2 2.97Å; L143-H146 WeakPolarHBondContact O-CB 3.4Å; L143-H146 PolarHBondContact O-N 2.88Å; K144-H146 PolarHBondContact O-N 3.23Å; K144-H146 VanDerWaalsContact O-N 3.16Å
147	F	96.4	Very high	94.2	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.061	26%	0.263	C	S	.	.	S	Bend	trans	-109.3	157.9	-176.7	-66.1	-96.5	0	0	0	111	F8 L14 L106 A109 I121 L143 K144	F8-F147 HydrophobicContact CD2-CD1 4.5Å; F8-F147 AromaticContact CD2-CE1 3.65Å; F8-F147 HydrophobicContact CD2-CE1 3.65Å; F8-F147 HydrophobicContact CD2-CZ 4.49Å; F8-F147 HydrophobicContact CE2-CE1 4.08Å; F8-F147 HydrophobicContact CG-CE1 4.3Å; L14-F147 HydrophobicContact CD1-CE1 4.13Å; L14-F147 HydrophobicContact CD1-CE2 3.98Å; L14-F147 HydrophobicContact CD1-CZ 3.52Å; L14-F147 HydrophobicContact CD2-CE2 4.45Å; L14-F147 HydrophobicContact CD2-CZ 3.76Å; L14-F147 HydrophobicContact CG-CZ 4.32Å; L106-F147 HydrophobicContact CD1-CE2 3.81Å; L106-F147 HydrophobicContact CD1-CZ 4.2Å; A109-F147 HydrophobicContact CB-CE1 3.69Å; A109-F147 HydrophobicContact CB-CZ 3.62Å; I121-F147 HydrophobicContact CD1-CD2 3.57Å; I121-F147 HydrophobicContact CD1-CE2 3.79Å; I121-F147 HydrophobicContact CD1-CG 4.03Å; I121-F147 HydrophobicContact CD1-CZ 4.4Å; I121-F147 HydrophobicContact CG1-CB 4.25Å; I121-F147 HydrophobicContact CG1-CD1 3.8Å; I121-F147 HydrophobicContact CG1-CD2 3.68Å; I121-F147 HydrophobicContact CG1-CE1 4.06Å; I121-F147 HydrophobicContact CG1-CE2 3.95Å; I121-F147 HydrophobicContact CG1-CG 3.62Å; I121-F147 HydrophobicContact CG1-CZ 4.14Å; L143-F147 VanDerWaalsContact O-CD2 3.3Å; L143-F147 WeakPolarHBondContact O-CD2 3.49Å; K144-F147 PolarHBondContact O-N 3.47Å
148	D	97.1	Very high	94.5	Very high	69 Å²	69	48 Å²	48	37%	0.369	25%	0.253	S	S	.	.	S	Bend	trans	-79.3	-32.6	175.6	-53.6	-55.5	0	0	0	111	K113 T118 T119	K113-D148 WeakPolarHBondContact CE-OD1 3.34Å; K113-D148 IonicContact NZ-OD1 2.73Å; K113-D148 PolarHBondContact NZ-OD1 2.96Å; T118-D148 WeakPolarHBondContact CA-OD2 3.3Å; T118-D148 HydrophobicContact CG2-CB 4.21Å; T119-D148 PolarHBondContact N-OD2 3.49Å; T119-D148 WeakPolarHBondContact O-CB 3.46Å; T119-D148 PolarHBondContact O-N 2.73Å; T119-D148 PolarHBondContact OG1-OD2 3.49Å; T119-D148 VanDerWaalsContact OG1-OD2 3.12Å
149	F	98.2	Very high	95	Very high	80 Å²	80	41.8 Å²	41.8	35%	0.351	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.8	179	-54.4	-74.3	0	0	0	112.4	T118 T119 A120 I121 T172 L173	T118-F149 HydrophobicContact CG2-CD2 4.06Å; T118-F149 HydrophobicContact CG2-CE2 3.67Å; T119-F149 PolarHBondContact O-N 2.82Å; A120-F149 CarbonylContact C-O 3.58Å; A120-F149 VanDerWaalsContact CA-O 3.25Å; A120-F149 WeakPolarHBondContact CA-O 3.37Å; A120-F149 HydrophobicContact CB-CB 3.92Å; I121-F149 PolarHBondContact N-O 3.25Å; F149-T172 HydrophobicContact CB-CG2 4.24Å; F149-T172 HydrophobicContact CD1-CG2 3.63Å; F149-T172 HydrophobicContact CD2-CG2 4.14Å; F149-T172 HydrophobicContact CE1-CG2 3.96Å; F149-T172 HydrophobicContact CE2-CG2 4.43Å; F149-T172 HydrophobicContact CG-CG2 3.72Å; F149-T172 HydrophobicContact CZ-CG2 4.34Å; F149-L173 HydrophobicContact CD2-CD2 3.99Å; F149-L173 HydrophobicContact CE2-CD2 4.33Å
150	L	98.2	Very high	95.2	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.277	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.4	167.6	168.1	61.1	0	0	0	107.4	I121 T123 M140 K144 E152	I121-L150 HydrophobicContact CB-CD1 3.73Å; I121-L150 HydrophobicContact CD1-CD1 4.36Å; I121-L150 HydrophobicContact CG2-CD1 3.82Å; T123-L150 HydrophobicContact CG2-CD1 4.35Å; M140-L150 HydrophobicContact CE-CD1 3.83Å; M140-L150 HydrophobicContact CE-CD2 3.81Å; M140-L150 HydrophobicContact CE-CG 4.47Å; K144-L150 HydrophobicContact CB-CD2 4.04Å; L150-E152 HydrophobicContact CD1-CG 3.84Å; L150-E152 HydrophobicContact CD2-CG 4.18Å; L150-E152 HydrophobicContact CG-CG 3.82Å
151	I	98.4	Very high	95.4	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	106.8	178.7	-55.9	176.3	0	0	0	107.8	I121 L122 T123 V156 F168 L169 T172	I121-I151 PolarHBondContact O-N 2.83Å; L122-I151 HydrophobicContact CD1-CB 3.77Å; L122-I151 HydrophobicContact CD1-CG2 3.55Å; T123-I151 PolarHBondContact N-O 2.82Å; I151-V156 HydrophobicContact CG2-CG1 4.15Å; I151-V156 HydrophobicContact CG2-CG2 4.29Å; I151-F168 HydrophobicContact CD1-CD1 4.2Å; I151-F168 HydrophobicContact CD1-CE1 4.15Å; I151-F168 HydrophobicContact CG1-CE1 4.35Å; I151-F168 HydrophobicContact CG2-CD1 4.1Å; I151-F168 HydrophobicContact CG2-CE1 3.95Å; I151-L169 HydrophobicContact CD1-CB 4.34Å; I151-L169 HydrophobicContact CD1-CD1 3.68Å; I151-T172 HydrophobicContact CD1-CG2 4.24Å
152	E	98.4	Very high	95.7	Very high	48 Å²	48	41.1 Å²	41.1	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.4	-179.2	-65	178	113.8	0	0	109.7	T123 T125 L150 C154 Q155 V156	T123-E152 HydrophobicContact CG2-CG 4.21Å; T125-E152 HydrophobicContact CG2-CB 3.62Å; T125-E152 HydrophobicContact CG2-CG 3.82Å; L150-E152 HydrophobicContact CD1-CG 3.84Å; L150-E152 HydrophobicContact CD2-CG 4.18Å; L150-E152 HydrophobicContact CG-CG 3.82Å; E152-C154 PolarHBondContact O-N 3.11Å; E152-C154 VanDerWaalsContact O-N 3.15Å; E152-Q155 HydrophobicContact CB-CB 4.2Å; E152-Q155 HydrophobicContact CB-CG 3.83Å; E152-Q155 PolarHBondContact O-N 3.45Å; E152-V156 PolarHBondContact O-N 2.84Å; E152-V156 VanDerWaalsContact O-N 3.14Å
153	S	98.1	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-52.7	-39.5	-178	61.6	0	0	0	0	113.5	M54 T123 N124 T125 Q155 V156 G157 M158	M54-S153 CarbonylContact O-C 3.55Å; M54-S153 WeakPolarHBondContact O-CB 3.39Å; M54-S153 PolarHBondContact O-OG 3.27Å; T123-S153 PolarHBondContact O-N 2.93Å; N124-S153 VanDerWaalsContact CA-OG 3.31Å; N124-S153 WeakPolarHBondContact CA-OG 3.37Å; T125-S153 PolarHBondContact N-OG 2.85Å; T125-S153 PolarHBondContact O-OG 2.94Å; S153-Q155 VanDerWaalsContact C-N 3.25Å; S153-Q155 PolarHBondContact O-N 3.43Å; S153-V156 PolarHBondContact O-N 2.84Å; S153-G157 PolarHBondContact O-N 3.06Å; S153-M158 WeakPolarHBondContact CA-O 3.42Å; S153-M158 WeakPolarHBondContact CB-O 3.36Å; S153-M158 PolarHBondContact O-N 2.7Å
154	C	97.6	Very high	96.2	Very high	12 Å²	12	47.3 Å²	47.3	8%	0.081	25%	0.254	C	S	.	.	H	α-helix	trans	-71.6	-18.9	-178.6	63.9	0	0	0	0	113.8	M54 T125 L127 E152	M54-C154 VanDerWaalsContact O-CA 3.28Å; M54-C154 WeakPolarHBondContact O-CA 3.35Å; M54-C154 PolarHBondContact O-N 3.08Å; T125-C154 WeakPolarHBondContact O-CB 3.36Å; L127-C154 HydrophobicContact CD2-CB 4.38Å; L127-C154 HydrophobicContact CG-CB 4.23Å; E152-C154 PolarHBondContact O-N 3.11Å; E152-C154 VanDerWaalsContact O-N 3.15Å
155	Q	97.8	Very high	96.6	Very high	125 Å²	125	42.5 Å²	42.5	58%	0.584	23%	0.233	S	C	*	.	H	α-helix	trans	-89.8	-34.2	176	-61.6	-61.2	-31.6	0	0	111.5	E152 S153	E152-Q155 HydrophobicContact CB-CB 4.2Å; E152-Q155 HydrophobicContact CB-CG 3.83Å; E152-Q155 PolarHBondContact O-N 3.45Å; S153-Q155 VanDerWaalsContact C-N 3.25Å; S153-Q155 PolarHBondContact O-N 3.43Å
156	V	97.9	Very high	97.1	Very high	42 Å²	42	38 Å²	38	26%	0.255	21%	0.206	S	C	.	.	H	α-helix	trans	-94.8	-7.1	-178	-56.9	0	0	0	0	113.8	I151 E152 S153 M158 I165 F168	I151-V156 HydrophobicContact CG2-CG1 4.15Å; I151-V156 HydrophobicContact CG2-CG2 4.29Å; E152-V156 PolarHBondContact O-N 2.84Å; E152-V156 VanDerWaalsContact O-N 3.14Å; S153-V156 PolarHBondContact O-N 2.84Å; V156-M158 HydrophobicContact CB-CE 3.87Å; V156-M158 HydrophobicContact CG2-CB 4.19Å; V156-M158 HydrophobicContact CG2-CE 3.99Å; V156-M158 PolarHBondContact O-N 3.34Å; V156-I165 HydrophobicContact CG2-CD1 4.49Å; V156-F168 HydrophobicContact CG1-CE1 3.86Å; V156-F168 HydrophobicContact CG1-CZ 3.94Å
157	G	97.3	Very high	97.3	Very high	38 Å²	38	44.4 Å²	44.4	39%	0.392	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	18.6	178.5	0	0	0	0	0	114.5	S153	S153-G157 PolarHBondContact O-N 3.06Å
158	M	97.1	Very high	97.4	Very high	38 Å²	38	47.5 Å²	47.5	19%	0.187	24%	0.242	C	C	.	.			trans	-132.7	148	-178.2	-63.4	174.5	-79.3	0	0	109.2	S153 V156 E162 Q164 I165 F168	S153-M158 WeakPolarHBondContact CA-O 3.42Å; S153-M158 WeakPolarHBondContact CB-O 3.36Å; S153-M158 PolarHBondContact O-N 2.7Å; V156-M158 HydrophobicContact CB-CE 3.87Å; V156-M158 HydrophobicContact CG2-CB 4.19Å; V156-M158 HydrophobicContact CG2-CE 3.99Å; V156-M158 PolarHBondContact O-N 3.34Å; M158-E162 WeakPolarHBondContact CA-OE2 3.31Å; M158-Q164 HydrophobicContact SD-CB 3.68Å; M158-I165 HydrophobicContact CB-CB 3.99Å; M158-I165 HydrophobicContact CB-CD1 4.28Å; M158-I165 HydrophobicContact CB-CG1 4.04Å; M158-I165 WeakPolarHBondContact O-CD1 3.43Å; M158-F168 HydrophobicContact CE-CB 3.98Å; M158-F168 HydrophobicContact CE-CD1 4.48Å; M158-F168 HydrophobicContact CE-CD2 3.94Å; M158-F168 HydrophobicContact CE-CG 3.87Å
159	V	96.4	Very high	97.5	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	23%	0.225	C	C	.	.			trans	-126.4	148.1	-178.6	-63.7	0	0	0	0	111.6	T51 M54 R55 E162	T51-V159 HydrophobicContact CG2-CG2 4.13Å; M54-V159 HydrophobicContact CB-CG1 3.47Å; M54-V159 VanDerWaalsContact CB-CG1 3.47Å; R55-V159 HydrophobicContact CG-CG1 3.76Å; V159-E162 HydrophobicContact CG2-CG 4.05Å; V159-E162 WeakPolarHBondContact CG2-OE1 3.26Å; V159-E162 PolarHBondContact N-OE2 2.81Å; V159-E162 VanDerWaalsContact N-OE2 3.07Å; V159-E162 WeakPolarHBondContact O-CB 3.3Å; V159-E162 VanDerWaalsContact O-CG 3.28Å; V159-E162 WeakPolarHBondContact O-CG 3.26Å; V159-E162 PolarHBondContact O-N 3.06Å
160	K	96.7	Very high	97.5	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.022	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	134.4	161.7	-59.8	179.8	-64.4	-175.1	0	108.2	D9 L122 N124 I165 F182 D184 N189	D9-K160 IonicContact OD1-NZ 3.45Å; D9-K160 PolarHBondContact OD1-NZ 2.7Å; D9-K160 IonicContact OD2-NZ 2.7Å; D9-K160 PolarHBondContact OD2-NZ 2.99Å; L122-K160 HydrophobicContact CD2-CD 3.99Å; L122-K160 HydrophobicContact CD2-CG 4.27Å; L122-K160 HydrophobicContact CG-CD 4.07Å; L122-K160 HydrophobicContact CG-CG 4.47Å; L122-K160 PolarHBondContact O-NZ 3.12Å; N124-K160 PolarHBondContact ND2-O 3.05Å; N124-K160 PolarHBondContact OD1-N 3.35Å; K160-I165 HydrophobicContact CG-CD1 4.43Å; K160-I165 HydrophobicContact CG-CG2 4.1Å; K160-F182 HydrophobicContact CD-CZ 3.93Å; K160-D184 WeakPolarHBondContact CE-OD2 3.46Å; K160-D184 IonicContact NZ-OD2 3.74Å; K160-D184 PolarHBondContact NZ-OD2 2.83Å; K160-N189 HydrophobicContact CB-CB 4.09Å; K160-N189 HydrophobicContact CD-CB 4.23Å
161	P	95.4	Very high	97.5	Very high	54 Å²	54	44.4 Å²	44.4	35%	0.351	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	cis	-102.5	29.7	11	40.5	-36.9	0	0	0	115.7	Y166 S188 P192	P161-Y166 WeakPolarHBondContact CA-OH 3.37Å; P161-S188 WeakPolarHBondContact CB-O 3.26Å; P161-P192 HydrophobicContact CB-CG 3.82Å; P161-P192 VanDerWaalsContact O-CG 3.28Å; P161-P192 WeakPolarHBondContact O-CG 3.44Å
162	E	95.4	Very high	97.5	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.117	24%	0.239	C	C	.	.			trans	-62	127.4	178.5	-64.2	170.8	172	0	0	111.3	R55 M158 V159 Q164 I165 Y166	R55-E162 IonicContact CZ-OE1 2.84Å; R55-E162 IonicContact NE-OE1 3.41Å; R55-E162 PolarHBondContact NE-OE1 2.84Å; R55-E162 IonicContact NH2-OE1 2.73Å; R55-E162 PolarHBondContact NH2-OE1 2.92Å; M158-E162 WeakPolarHBondContact CA-OE2 3.31Å; V159-E162 HydrophobicContact CG2-CG 4.05Å; V159-E162 WeakPolarHBondContact CG2-OE1 3.26Å; V159-E162 PolarHBondContact N-OE2 2.81Å; V159-E162 VanDerWaalsContact N-OE2 3.07Å; V159-E162 WeakPolarHBondContact O-CB 3.3Å; V159-E162 VanDerWaalsContact O-CG 3.28Å; V159-E162 WeakPolarHBondContact O-CG 3.26Å; V159-E162 PolarHBondContact O-N 3.06Å; E162-Q164 PolarHBondContact O-N 3.2Å; E162-I165 WeakPolarHBondContact O-CG2 3.37Å; E162-I165 PolarHBondContact O-N 3.33Å; E162-I165 VanDerWaalsContact O-N 3.15Å; E162-Y166 VanDerWaalsContact O-CD2 3.23Å; E162-Y166 WeakPolarHBondContact O-CD2 3.24Å; E162-Y166 WeakPolarHBondContact O-CE2 3.29Å
163	P	95.6	Very high	97.5	Very high	67 Å²	67	43.9 Å²	43.9	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-55.6	-27.1	-176.6	-28.2	35.3	0	0	0	114.9	I165 Y166 R167	P163-I165 PolarHBondContact O-N 2.9Å; P163-Y166 PolarHBondContact O-N 3.31Å; P163-R167 PolarHBondContact O-N 3.33Å
164	Q	97.3	Very high	97.5	Very high	102 Å²	102	52 Å²	52	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-39.5	-178.9	-64.8	81.7	-10.7	0	0	112.1	M158 E162 Y166 R167 F168	M158-Q164 HydrophobicContact SD-CB 3.68Å; E162-Q164 PolarHBondContact O-N 3.2Å; Q164-Y166 VanDerWaalsContact C-N 3.28Å; Q164-Y166 PolarHBondContact O-N 2.91Å; Q164-R167 PolarHBondContact O-N 2.83Å; Q164-F168 PolarHBondContact O-N 3.38Å
165	I	98.3	Very high	97.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-31.4	-177.4	-154.6	178	0	0	0	112	L122 V156 M158 K160 E162 P163 L169	L122-I165 HydrophobicContact CD1-CD1 3.77Å; L122-I165 HydrophobicContact CD1-CG1 4.02Å; V156-I165 HydrophobicContact CG2-CD1 4.49Å; M158-I165 HydrophobicContact CB-CB 3.99Å; M158-I165 HydrophobicContact CB-CD1 4.28Å; M158-I165 HydrophobicContact CB-CG1 4.04Å; M158-I165 WeakPolarHBondContact O-CD1 3.43Å; K160-I165 HydrophobicContact CG-CD1 4.43Å; K160-I165 HydrophobicContact CG-CG2 4.1Å; E162-I165 WeakPolarHBondContact O-CG2 3.37Å; E162-I165 PolarHBondContact O-N 3.33Å; E162-I165 VanDerWaalsContact O-N 3.15Å; P163-I165 PolarHBondContact O-N 2.9Å; I165-L169 WeakPolarHBondContact O-CB 3.37Å; I165-L169 PolarHBondContact O-N 3.22Å
166	Y	98.6	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-75.5	-33.5	177.7	-56.9	-93	0	0	0	112.1	P161 E162 P163 Q164 L169 L170 F182 N189 P192 A193 L196	P161-Y166 WeakPolarHBondContact CA-OH 3.37Å; E162-Y166 VanDerWaalsContact O-CD2 3.23Å; E162-Y166 WeakPolarHBondContact O-CD2 3.24Å; E162-Y166 WeakPolarHBondContact O-CE2 3.29Å; P163-Y166 PolarHBondContact O-N 3.31Å; Q164-Y166 VanDerWaalsContact C-N 3.28Å; Q164-Y166 PolarHBondContact O-N 2.91Å; Y166-L169 WeakPolarHBondContact O-CB 3.27Å; Y166-L169 PolarHBondContact O-N 3.5Å; Y166-L170 VanDerWaalsContact O-CG 3.3Å; Y166-L170 WeakPolarHBondContact O-CG 3.32Å; Y166-L170 PolarHBondContact O-N 2.83Å; Y166-F182 HydrophobicContact CE1-CE1 4.01Å; Y166-N189 WeakPolarHBondContact CE1-O 3.46Å; Y166-N189 PolarHBondContact OH-O 2.93Å; Y166-P192 HydrophobicContact CD1-CB 4.45Å; Y166-P192 HydrophobicContact CD2-CB 3.68Å; Y166-P192 HydrophobicContact CD2-CG 4.34Å; Y166-P192 HydrophobicContact CE1-CB 4.25Å; Y166-P192 HydrophobicContact CE2-CB 3.48Å; Y166-P192 VanDerWaalsContact CE2-CB 3.48Å; Y166-P192 HydrophobicContact CE2-CG 3.65Å; Y166-P192 HydrophobicContact CG-CB 4.19Å; Y166-A193 HydrophobicContact CD1-CB 3.91Å; Y166-A193 HydrophobicContact CE1-CB 3.93Å; Y166-L196 HydrophobicContact CG-CD1 4.41Å
167	R	97.9	Very high	97.5	Very high	148 Å²	148	47.7 Å²	47.7	56%	0.558	25%	0.251	S	S	*	.	H	α-helix	trans	-66.5	-45.5	171.2	-66.4	179.6	-173.8	153.3	2.4	110.5	P163 Q164 L169 L170 D171	P163-R167 PolarHBondContact O-N 3.33Å; Q164-R167 PolarHBondContact O-N 2.83Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 3.32Å; R167-L170 PolarHBondContact O-N 2.82Å; R167-L170 VanDerWaalsContact O-N 3.14Å; R167-D171 PolarHBondContact O-N 3.49Å
168	F	98.5	Very high	97.5	Very high	79 Å²	79	48.2 Å²	48.2	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-57	-42.7	174	-178.7	-89.4	0	0	0	112.3	I151 V156 M158 Q164 D171 T172	I151-F168 HydrophobicContact CD1-CD1 4.2Å; I151-F168 HydrophobicContact CD1-CE1 4.15Å; I151-F168 HydrophobicContact CG1-CE1 4.35Å; I151-F168 HydrophobicContact CG2-CD1 4.1Å; I151-F168 HydrophobicContact CG2-CE1 3.95Å; V156-F168 HydrophobicContact CG1-CE1 3.86Å; V156-F168 HydrophobicContact CG1-CZ 3.94Å; M158-F168 HydrophobicContact CE-CB 3.98Å; M158-F168 HydrophobicContact CE-CD1 4.48Å; M158-F168 HydrophobicContact CE-CD2 3.94Å; M158-F168 HydrophobicContact CE-CG 3.87Å; Q164-F168 PolarHBondContact O-N 3.38Å; F168-D171 PolarHBondContact O-N 3.19Å; F168-T172 WeakPolarHBondContact O-CB 3.22Å; F168-T172 PolarHBondContact O-N 3.13Å; F168-T172 PolarHBondContact O-OG1 3.47Å
169	L	98.6	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-50.9	173.3	171.2	70.6	0	0	0	111.7	V7 A120 L122 I151 I165 Y166 R167 D171 T172 L173 M198	V7-L169 HydrophobicContact CB-CD2 4.48Å; V7-L169 HydrophobicContact CG1-CD1 3.91Å; V7-L169 HydrophobicContact CG1-CD2 4.01Å; V7-L169 HydrophobicContact CG2-CD1 3.93Å; V7-L169 HydrophobicContact CG2-CD2 4.12Å; V7-L169 HydrophobicContact CG2-CG 4.43Å; A120-L169 HydrophobicContact CB-CD1 4.5Å; L122-L169 HydrophobicContact CD2-CD2 3.98Å; I151-L169 HydrophobicContact CD1-CB 4.34Å; I151-L169 HydrophobicContact CD1-CD1 3.68Å; I165-L169 WeakPolarHBondContact O-CB 3.37Å; I165-L169 PolarHBondContact O-N 3.22Å; Y166-L169 WeakPolarHBondContact O-CB 3.27Å; Y166-L169 PolarHBondContact O-N 3.5Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 3.32Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-D171 PolarHBondContact O-N 3.02Å; L169-T172 WeakPolarHBondContact O-CB 3.37Å; L169-T172 PolarHBondContact O-N 2.72Å; L169-L173 HydrophobicContact CD1-CD1 3.8Å; L169-L173 HydrophobicContact CD1-CG 4.12Å; L169-L173 HydrophobicContact CG-CD1 3.92Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.31Å; L169-M198 HydrophobicContact CD2-CE 4.19Å
170	L	98.5	Very high	97.7	Very high	16 Å²	16	47.5 Å²	47.5	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-41.5	-179	-71.2	166.3	0	0	0	112.3	Y166 R167 T172 L173 K174 A175 P177 V180 L196 M198	Y166-L170 VanDerWaalsContact O-CG 3.3Å; Y166-L170 WeakPolarHBondContact O-CG 3.32Å; Y166-L170 PolarHBondContact O-N 2.83Å; R167-L170 PolarHBondContact O-N 2.82Å; R167-L170 VanDerWaalsContact O-N 3.14Å; L170-T172 VanDerWaalsContact C-N 3.35Å; L170-L173 PolarHBondContact O-N 3.26Å; L170-K174 PolarHBondContact O-N 3.18Å; L170-A175 WeakPolarHBondContact CD2-O 3.49Å; L170-A175 PolarHBondContact O-N 3.2Å; L170-P177 HydrophobicContact CD1-CG 3.78Å; L170-P177 HydrophobicContact CD2-CB 4.49Å; L170-P177 HydrophobicContact CD2-CG 4.29Å; L170-V180 HydrophobicContact CD2-CG2 3.87Å; L170-L196 HydrophobicContact CD1-CD1 4.22Å; L170-M198 HydrophobicContact CD1-CE 3.75Å; L170-M198 HydrophobicContact CD2-CE 3.56Å; L170-M198 HydrophobicContact CG-CE 3.55Å
171	D	98.3	Very high	97.7	Very high	122 Å²	122	47.2 Å²	47.2	65%	0.652	24%	0.243	S	C	*	.	H	α-helix	trans	-63.2	-42.3	176	-69.6	-22.7	0	0	0	111.1	R167 F168 L169 K174	R167-D171 PolarHBondContact O-N 3.49Å; F168-D171 PolarHBondContact O-N 3.19Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-D171 PolarHBondContact O-N 3.02Å; D171-K174 PolarHBondContact O-N 3.42Å
172	T	98.2	Very high	97.9	Very high	35 Å²	35	44.7 Å²	44.7	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-45.6	176.6	-58.6	0	0	0	0	111.4	F149 I151 F168 L169 L170 K174	F149-T172 HydrophobicContact CB-CG2 4.24Å; F149-T172 HydrophobicContact CD1-CG2 3.63Å; F149-T172 HydrophobicContact CD2-CG2 4.14Å; F149-T172 HydrophobicContact CE1-CG2 3.96Å; F149-T172 HydrophobicContact CE2-CG2 4.43Å; F149-T172 HydrophobicContact CG-CG2 3.72Å; F149-T172 HydrophobicContact CZ-CG2 4.34Å; I151-T172 HydrophobicContact CD1-CG2 4.24Å; F168-T172 WeakPolarHBondContact O-CB 3.22Å; F168-T172 PolarHBondContact O-N 3.13Å; F168-T172 PolarHBondContact O-OG1 3.47Å; L169-T172 WeakPolarHBondContact O-CB 3.37Å; L169-T172 PolarHBondContact O-N 2.72Å; L170-T172 VanDerWaalsContact C-N 3.35Å; T172-K174 VanDerWaalsContact C-N 3.26Å; T172-K174 PolarHBondContact O-N 3.17Å
173	L	97.8	Very high	98.1	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-73	-17	178.7	-66.7	174.3	0	0	0	113.5	A5 V7 T118 A120 F149 L169 L170 A175 V180	A5-L173 HydrophobicContact CB-CD1 4.12Å; A5-L173 HydrophobicContact CB-CD2 4.43Å; V7-L173 HydrophobicContact CG2-CD1 3.64Å; T118-L173 HydrophobicContact CG2-CD2 3.71Å; A120-L173 HydrophobicContact CB-CD2 4.01Å; F149-L173 HydrophobicContact CD2-CD2 3.99Å; F149-L173 HydrophobicContact CE2-CD2 4.33Å; L169-L173 HydrophobicContact CD1-CD1 3.8Å; L169-L173 HydrophobicContact CD1-CG 4.12Å; L169-L173 HydrophobicContact CG-CD1 3.92Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.31Å; L170-L173 PolarHBondContact O-N 3.26Å; L173-A175 HydrophobicContact CB-CB 3.98Å; L173-A175 PolarHBondContact O-N 2.84Å; L173-V180 HydrophobicContact CD1-CG1 4.28Å; L173-V180 HydrophobicContact CD1-CG2 4.14Å
174	K	97.9	Very high	98.2	Very high	172 Å²	172	40.3 Å²	40.3	75%	0.748	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	44.5	-169.6	-56.8	177.8	-178.7	175.8	0	111.5	R4 L170 D171 T172	R4-K174 PolarHBondContact NH1-O 2.77Å; R4-K174 PolarHBondContact NH2-O 3.02Å; L170-K174 PolarHBondContact O-N 3.18Å; D171-K174 PolarHBondContact O-N 3.42Å; T172-K174 VanDerWaalsContact C-N 3.26Å; T172-K174 PolarHBondContact O-N 3.17Å
175	A	97.1	Very high	98.2	Very high	13 Å²	13	37.4 Å²	37.4	11%	0.107	19%	0.188	C	C	.	.			trans	-128.2	146.3	-175.4	0	0	0	0	0	111.8	L170 L173 E179 V180	L170-A175 WeakPolarHBondContact CD2-O 3.49Å; L170-A175 PolarHBondContact O-N 3.2Å; L173-A175 HydrophobicContact CB-CB 3.98Å; L173-A175 PolarHBondContact O-N 2.84Å; A175-E179 HydrophobicContact CB-CB 4.43Å; A175-V180 HydrophobicContact CB-CG2 3.99Å
176	S	97.9	Very high	97.9	Very high	38 Å²	38	39.6 Å²	39.6	27%	0.266	20%	0.201	S	C	.	.			trans	-76.9	154.2	167.7	68.8	0	0	0	0	110.1	S178 E179	S176-S178 VanDerWaalsContact C-N 3.26Å; S176-S178 PolarHBondContact O-N 3Å; S176-S178 VanDerWaalsContact O-N 3.16Å; S176-S178 PolarHBondContact OG-OG 2.82Å; S176-E179 WeakPolarHBondContact CB-OE2 3.37Å; S176-E179 PolarHBondContact N-OE2 2.8Å; S176-E179 WeakPolarHBondContact O-CB 3.4Å; S176-E179 PolarHBondContact O-N 3.19Å; S176-E179 VanDerWaalsContact OG-CD 3.23Å; S176-E179 VanDerWaalsContact OG-CG 3.29Å; S176-E179 WeakPolarHBondContact OG-CG 3.24Å; S176-E179 PolarHBondContact OG-OE2 3.48Å
177	P	98.1	Very high	97.7	Very high	36 Å²	36	41.6 Å²	41.6	23%	0.234	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-52.8	-41.5	-177.9	-26.1	31.6	0	0	0	114.1	L170 E179 V180 L196 G197 M198	L170-P177 HydrophobicContact CD1-CG 3.78Å; L170-P177 HydrophobicContact CD2-CB 4.49Å; L170-P177 HydrophobicContact CD2-CG 4.29Å; P177-E179 PolarHBondContact O-N 3.3Å; P177-V180 PolarHBondContact O-N 3.36Å; P177-L196 HydrophobicContact CB-CB 4.28Å; P177-L196 WeakPolarHBondContact CB-O 3.32Å; P177-L196 HydrophobicContact CG-CB 4.3Å; P177-L196 VanDerWaalsContact CG-O 3.23Å; P177-L196 WeakPolarHBondContact CG-O 3.31Å; P177-G197 CarbonylContact C-O 3.6Å; P177-M198 HydrophobicContact CB-CG 4.02Å; P177-M198 WeakPolarHBondContact O-CA 3.46Å
178	S	97.8	Very high	97.5	Very high	49 Å²	49	38 Å²	38	34%	0.343	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-65.7	-9.2	-178.5	69.4	0	0	0	0	115	S176	S176-S178 VanDerWaalsContact C-N 3.26Å; S176-S178 PolarHBondContact O-N 3Å; S176-S178 VanDerWaalsContact O-N 3.16Å; S176-S178 PolarHBondContact OG-OG 2.82Å
179	E	98.4	Very high	97.3	Very high	28 Å²	28	34.9 Å²	34.9	13%	0.131	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-98	-3.3	178.9	-65.1	174	117.1	0	0	112.7	M1 L3 R4 A5 A175 S176 P177	M1-E179 HydrophobicContact CB-CG 4.25Å; M1-E179 HydrophobicContact SD-CG 4.45Å; L3-E179 WeakPolarHBondContact CA-O 3.44Å; R4-E179 HydrophobicContact CG-CB 3.92Å; R4-E179 HydrophobicContact CG-CG 4.4Å; R4-E179 IonicContact CZ-OE1 2.86Å; R4-E179 IonicContact CZ-OE2 3.65Å; R4-E179 PolarHBondContact N-O 2.99Å; R4-E179 IonicContact NE-OE1 3.13Å; R4-E179 PolarHBondContact NE-OE1 3.24Å; R4-E179 IonicContact NE-OE2 2.7Å; R4-E179 PolarHBondContact NE-OE2 3.31Å; R4-E179 IonicContact NH2-OE1 3.3Å; R4-E179 PolarHBondContact NH2-OE1 3.09Å; R4-E179 IonicContact NH2-OE2 3.75Å; R4-E179 PolarHBondContact NH2-OE2 3.02Å; A5-E179 PolarHBondContact N-O 2.71Å; A5-E179 VanDerWaalsContact N-O 3.08Å; A175-E179 HydrophobicContact CB-CB 4.43Å; S176-E179 WeakPolarHBondContact CB-OE2 3.37Å; S176-E179 PolarHBondContact N-OE2 2.8Å; S176-E179 WeakPolarHBondContact O-CB 3.4Å; S176-E179 PolarHBondContact O-N 3.19Å; S176-E179 VanDerWaalsContact OG-CD 3.23Å; S176-E179 VanDerWaalsContact OG-CG 3.29Å; S176-E179 WeakPolarHBondContact OG-CG 3.24Å; S176-E179 PolarHBondContact OG-OE2 3.48Å; P177-E179 PolarHBondContact O-N 3.3Å
180	V	98.7	Very high	97.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.9	-172.9	-173.2	0	0	0	0	110.8	A5 V7 L170 L173 A175 P177 M198 V199	A5-V180 HydrophobicContact CB-CG2 4.23Å; A5-V180 WeakPolarHBondContact O-CA 3.38Å; V7-V180 HydrophobicContact CG2-CG1 3.72Å; L170-V180 HydrophobicContact CD2-CG2 3.87Å; L173-V180 HydrophobicContact CD1-CG1 4.28Å; L173-V180 HydrophobicContact CD1-CG2 4.14Å; A175-V180 HydrophobicContact CB-CG2 3.99Å; P177-V180 PolarHBondContact O-N 3.36Å; V180-M198 HydrophobicContact CB-CG 4.19Å; V180-M198 HydrophobicContact CB-SD 4.45Å; V180-M198 HydrophobicContact CG1-SD 4.26Å; V180-V199 PolarHBondContact O-N 3.4Å
181	V	98.7	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.3	161	59	0	0	0	0	109.9	L3 A5 A6 V7 L183 V199 I201 L213 V216	L3-V181 HydrophobicContact CD1-CB 4.06Å; L3-V181 HydrophobicContact CD1-CG1 4.32Å; L3-V181 HydrophobicContact CD2-CB 4.45Å; A5-V181 PolarHBondContact O-N 3.32Å; A6-V181 WeakPolarHBondContact CA-O 3.41Å; A6-V181 HydrophobicContact CB-CG1 3.77Å; V7-V181 PolarHBondContact N-O 3.44Å; V181-L183 HydrophobicContact CG2-CD1 4.24Å; V181-V199 CarbonylContact C-O 3.57Å; V181-V199 VanDerWaalsContact CA-O 3.29Å; V181-V199 WeakPolarHBondContact CA-O 3.48Å; V181-V199 HydrophobicContact CB-CB 4.22Å; V181-V199 HydrophobicContact CB-CG1 4.4Å; V181-V199 HydrophobicContact CG2-CB 4.28Å; V181-V199 HydrophobicContact CG2-CG1 4Å; V181-I201 HydrophobicContact CG2-CD1 3.81Å; V181-I201 HydrophobicContact CG2-CG1 4.26Å; V181-L213 HydrophobicContact CB-CD1 4.45Å; V181-L213 HydrophobicContact CG1-CD1 3.8Å; V181-L213 HydrophobicContact CG2-CD1 3.82Å; V181-V216 HydrophobicContact CG2-CG2 4.19Å
182	F	98.8	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.3	-178.8	-177.1	-130.9	0	0	0	111.2	V7 L122 K160 Y166 D184 L190 A193 M198 V199 T200 I201	V7-F182 HydrophobicContact CB-CD2 3.68Å; V7-F182 HydrophobicContact CB-CE2 4.38Å; V7-F182 HydrophobicContact CG1-CD2 3.54Å; V7-F182 HydrophobicContact CG1-CE2 3.74Å; V7-F182 WeakPolarHBondContact O-CA 3.45Å; L122-F182 HydrophobicContact CB-CE2 4.32Å; L122-F182 HydrophobicContact CD2-CE2 4.16Å; L122-F182 HydrophobicContact CD2-CZ 4.15Å; K160-F182 HydrophobicContact CD-CZ 3.93Å; Y166-F182 HydrophobicContact CE1-CE1 4.01Å; F182-D184 HydrophobicContact CE1-CB 3.99Å; F182-D184 HydrophobicContact CZ-CB 4.02Å; F182-D184 WeakPolarHBondContact CZ-OD2 3.49Å; F182-L190 HydrophobicContact CD1-CD2 3.45Å; F182-L190 VanDerWaalsContact CD1-CD2 3.45Å; F182-L190 HydrophobicContact CE1-CD2 3.74Å; F182-L190 HydrophobicContact CG-CD2 4.28Å; F182-A193 HydrophobicContact CB-CB 4.46Å; F182-A193 HydrophobicContact CD1-CB 3.57Å; F182-A193 HydrophobicContact CE1-CB 4.28Å; F182-A193 HydrophobicContact CG-CB 4.37Å; F182-M198 HydrophobicContact CB-SD 4.45Å; F182-V199 PolarHBondContact N-O 3.09Å; F182-T200 CarbonylContact O-C 3.14Å; F182-T200 WeakPolarHBondContact O-CA 3.35Å; F182-I201 PolarHBondContact O-N 3.49Å
183	L	98.7	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.1	-179.5	-61	93.6	0	0	0	109.8	V7 F8 D9 V13 M105 V181 I201 V203 L213	V7-L183 WeakPolarHBondContact O-CD1 3.35Å; V7-L183 PolarHBondContact O-N 3.01Å; F8-L183 HydrophobicContact CD1-CB 4.32Å; F8-L183 HydrophobicContact CD1-CD1 3.89Å; F8-L183 HydrophobicContact CD1-CD2 4.33Å; F8-L183 HydrophobicContact CD1-CG 4.4Å; F8-L183 HydrophobicContact CE1-CD1 3.76Å; F8-L183 HydrophobicContact CE1-CD2 4.16Å; F8-L183 HydrophobicContact CE1-CG 4.47Å; F8-L183 HydrophobicContact CG-CD1 4.4Å; F8-L183 HydrophobicContact CZ-CD1 4.16Å; D9-L183 PolarHBondContact N-O 2.95Å; V13-L183 HydrophobicContact CG1-CB 4.26Å; M105-L183 HydrophobicContact CE-CD2 4.36Å; M105-L183 HydrophobicContact SD-CD2 4.15Å; V181-L183 HydrophobicContact CG2-CD1 4.24Å; L183-I201 HydrophobicContact CD2-CB 4.38Å; L183-I201 HydrophobicContact CD2-CD1 4.22Å; L183-I201 HydrophobicContact CD2-CG2 4.38Å; L183-I201 HydrophobicContact CG-CB 4.15Å; L183-I201 HydrophobicContact CG-CD1 4.29Å; L183-V203 HydrophobicContact CB-CG2 3.94Å; L183-V203 HydrophobicContact CD2-CG2 4.33Å; L183-L213 HydrophobicContact CD1-CD1 4.1Å; L183-L213 HydrophobicContact CD1-CD2 4.47Å; L183-L213 HydrophobicContact CD2-CD1 4.45Å; L183-L213 HydrophobicContact CD2-CD2 3.99Å
184	D	98.4	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.2	-179.1	-160.7	-66.2	0	0	0	108.3	D9 K160 F182 V186 N189 L190 I201 L202 V203	D9-D184 HydrophobicContact CB-CB 4.47Å; K160-D184 WeakPolarHBondContact CE-OD2 3.46Å; K160-D184 IonicContact NZ-OD2 3.74Å; K160-D184 PolarHBondContact NZ-OD2 2.83Å; F182-D184 HydrophobicContact CE1-CB 3.99Å; F182-D184 HydrophobicContact CZ-CB 4.02Å; F182-D184 WeakPolarHBondContact CZ-OD2 3.49Å; D184-V186 WeakPolarHBondContact OD1-CA 3.34Å; D184-V186 WeakPolarHBondContact OD1-CB 3.08Å; D184-V186 PolarHBondContact OD1-N 2.98Å; D184-N189 WeakPolarHBondContact OD2-CB 3.27Å; D184-L190 HydrophobicContact CB-CD1 4.49Å; D184-L190 HydrophobicContact CB-CD2 3.39Å; D184-L190 HydrophobicContact CB-CG 3.78Å; D184-I201 PolarHBondContact N-O 3.22Å; D184-L202 WeakPolarHBondContact O-CA 3.43Å; D184-V203 PolarHBondContact O-N 3.21Å
185	D	96.3	Very high	97.1	Very high	42 Å²	42	37.6 Å²	37.6	23%	0.225	21%	0.211	C	C	.	.	S	Bend	trans	-86.3	-12.1	177.9	69.2	-42.9	0	0	0	112.4	V13 L202 V203	V13-D185 HydrophobicContact CG2-CB 4.24Å; D185-L202 WeakPolarHBondContact O-CD1 3.39Å; D185-V203 VanDerWaalsContact CA-O 3.32Å; D185-V203 WeakPolarHBondContact CA-O 3.44Å; D185-V203 HydrophobicContact CB-CB 4.41Å; D185-V203 VanDerWaalsContact CB-O 3.3Å; D185-V203 WeakPolarHBondContact CB-O 3.18Å
186	V	93.6	Very high	97.1	Very high	46 Å²	46	39.9 Å²	39.9	28%	0.279	22%	0.222	S	C	.	.			trans	-104.8	111	-178.9	-176.1	0	0	0	0	111.1	D184 S188 N189 L190	D184-V186 WeakPolarHBondContact OD1-CA 3.34Å; D184-V186 WeakPolarHBondContact OD1-CB 3.08Å; D184-V186 PolarHBondContact OD1-N 2.98Å; V186-S188 VanDerWaalsContact C-N 3.28Å; V186-S188 VanDerWaalsContact CG1-OG 3.27Å; V186-S188 WeakPolarHBondContact CG1-OG 3.32Å; V186-S188 PolarHBondContact O-N 2.72Å; V186-S188 VanDerWaalsContact O-N 3.16Å; V186-N189 HydrophobicContact CB-CB 4.22Å; V186-N189 HydrophobicContact CG1-CB 4.46Å; V186-N189 WeakPolarHBondContact O-CB 3.49Å; V186-N189 PolarHBondContact O-N 3.37Å; V186-L190 PolarHBondContact O-N 3.25Å
187	G	93.1	Very high	97.1	Very high	41 Å²	41	40.1 Å²	40.1	42%	0.423	23%	0.23	S	C	.	.	H	α-helix	trans	-58.4	-32.5	-177.4	0	0	0	0	0	115.2	N189 L190 K191	G187-N189 VanDerWaalsContact C-N 3.31Å; G187-N189 PolarHBondContact O-N 3.39Å; G187-L190 PolarHBondContact O-N 2.89Å; G187-K191 PolarHBondContact O-N 3.48Å
188	S	93.4	Very high	97.1	Very high	72 Å²	72	38.8 Å²	38.8	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-67.9	-30.7	175.5	53	0	0	0	0	112.8	P161 V186 L190 P192	P161-S188 WeakPolarHBondContact CB-O 3.26Å; V186-S188 VanDerWaalsContact C-N 3.28Å; V186-S188 VanDerWaalsContact CG1-OG 3.27Å; V186-S188 WeakPolarHBondContact CG1-OG 3.32Å; V186-S188 PolarHBondContact O-N 2.72Å; V186-S188 VanDerWaalsContact O-N 3.16Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-P192 WeakPolarHBondContact O-CD 3.25Å
189	N	95.9	Very high	97.2	Very high	14 Å²	14	38.8 Å²	38.8	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-75.6	-23.7	175.3	-65.4	-12	0	0	0	112	K160 Y166 D184 V186 G187	K160-N189 HydrophobicContact CB-CB 4.09Å; K160-N189 HydrophobicContact CD-CB 4.23Å; Y166-N189 WeakPolarHBondContact CE1-O 3.46Å; Y166-N189 PolarHBondContact OH-O 2.93Å; D184-N189 WeakPolarHBondContact OD2-CB 3.27Å; V186-N189 HydrophobicContact CB-CB 4.22Å; V186-N189 HydrophobicContact CG1-CB 4.46Å; V186-N189 WeakPolarHBondContact O-CB 3.49Å; V186-N189 PolarHBondContact O-N 3.37Å; G187-N189 VanDerWaalsContact C-N 3.31Å; G187-N189 PolarHBondContact O-N 3.39Å
190	L	97.3	Very high	97.2	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-78.6	-24.8	174.6	-69.4	179.4	0	0	0	113.6	F182 D184 V186 G187 S188 A193 R194 T200 I201 L202	F182-L190 HydrophobicContact CD1-CD2 3.45Å; F182-L190 VanDerWaalsContact CD1-CD2 3.45Å; F182-L190 HydrophobicContact CE1-CD2 3.74Å; F182-L190 HydrophobicContact CG-CD2 4.28Å; D184-L190 HydrophobicContact CB-CD1 4.49Å; D184-L190 HydrophobicContact CB-CD2 3.39Å; D184-L190 HydrophobicContact CB-CG 3.78Å; V186-L190 PolarHBondContact O-N 3.25Å; G187-L190 PolarHBondContact O-N 2.89Å; S188-L190 VanDerWaalsContact C-N 3.34Å; L190-A193 PolarHBondContact O-N 3.41Å; L190-R194 PolarHBondContact O-N 3.26Å; L190-T200 HydrophobicContact CB-CG2 4.44Å; L190-T200 HydrophobicContact CD2-CG2 4.26Å; L190-I201 WeakPolarHBondContact CD1-O 3.4Å; L190-L202 HydrophobicContact CD1-CB 3.8Å; L190-L202 HydrophobicContact CD1-CD1 3.96Å
191	K	96.5	Very high	97.2	Very high	131 Å²	131	38.9 Å²	38.9	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-59.1	-49.8	-173	-177.6	-179.5	177.8	-175.7	0	112.8	G187 A193 R194 D195	G187-K191 PolarHBondContact O-N 3.48Å; K191-A193 VanDerWaalsContact C-N 3.33Å; K191-A193 PolarHBondContact O-N 3.19Å; K191-R194 WeakPolarHBondContact O-CB 3.44Å; K191-R194 PolarHBondContact O-N 2.62Å; K191-R194 VanDerWaalsContact O-N 3.16Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 2.79Å
192	P	97.9	Very high	97.2	Very high	17 Å²	17	41.5 Å²	41.5	11%	0.11	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-36.9	178.6	-20.2	31.9	0	0	0	113.5	P161 Y166 S188 R194 D195 L196	P161-P192 HydrophobicContact CB-CG 3.82Å; P161-P192 VanDerWaalsContact O-CG 3.28Å; P161-P192 WeakPolarHBondContact O-CG 3.44Å; Y166-P192 HydrophobicContact CD1-CB 4.45Å; Y166-P192 HydrophobicContact CD2-CB 3.68Å; Y166-P192 HydrophobicContact CD2-CG 4.34Å; Y166-P192 HydrophobicContact CE1-CB 4.25Å; Y166-P192 HydrophobicContact CE2-CB 3.48Å; Y166-P192 VanDerWaalsContact CE2-CB 3.48Å; Y166-P192 HydrophobicContact CE2-CG 3.65Å; Y166-P192 HydrophobicContact CG-CB 4.19Å; S188-P192 WeakPolarHBondContact O-CD 3.25Å; P192-R194 VanDerWaalsContact C-N 3.32Å; P192-R194 PolarHBondContact O-N 3.25Å; P192-D195 PolarHBondContact O-N 2.93Å; P192-L196 WeakPolarHBondContact O-CG 3.23Å; P192-L196 PolarHBondContact O-N 2.92Å
193	A	97.8	Very high	97.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-42.8	174.7	0	0	0	0	0	111.5	Y166 F182 L190 K191 L196 G197 M198 T200	Y166-A193 HydrophobicContact CD1-CB 3.91Å; Y166-A193 HydrophobicContact CE1-CB 3.93Å; F182-A193 HydrophobicContact CB-CB 4.46Å; F182-A193 HydrophobicContact CD1-CB 3.57Å; F182-A193 HydrophobicContact CE1-CB 4.28Å; F182-A193 HydrophobicContact CG-CB 4.37Å; L190-A193 PolarHBondContact O-N 3.41Å; K191-A193 VanDerWaalsContact C-N 3.33Å; K191-A193 PolarHBondContact O-N 3.19Å; A193-L196 PolarHBondContact O-N 3.32Å; A193-G197 PolarHBondContact O-N 3.4Å; A193-M198 HydrophobicContact CB-CB 4.29Å; A193-M198 HydrophobicContact CB-CG 4.38Å; A193-M198 HydrophobicContact CB-SD 3.56Å; A193-M198 VanDerWaalsContact CB-SD 3.56Å; A193-M198 VanDerWaalsContact O-CB 3.29Å; A193-M198 WeakPolarHBondContact O-CB 3.5Å; A193-M198 WeakPolarHBondContact O-CG 3.34Å; A193-M198 PolarHBondContact O-N 3.18Å; A193-T200 HydrophobicContact CB-CG2 3.93Å
194	R	97.4	Very high	96.8	Very high	144 Å²	144	52.2 Å²	52.2	54%	0.543	28%	0.276	S	S	.	.	H	α-helix	trans	-66.3	-43.1	176.1	-169.5	178.3	-55.3	-171.5	5.4	112.4	L190 K191 P192 L196 G197 T200	L190-R194 PolarHBondContact O-N 3.26Å; K191-R194 WeakPolarHBondContact O-CB 3.44Å; K191-R194 PolarHBondContact O-N 2.62Å; K191-R194 VanDerWaalsContact O-N 3.16Å; P192-R194 VanDerWaalsContact C-N 3.32Å; P192-R194 PolarHBondContact O-N 3.25Å; R194-L196 PolarHBondContact O-N 2.7Å; R194-G197 WeakPolarHBondContact O-CA 3.24Å; R194-G197 PolarHBondContact O-N 3Å; R194-T200 HydrophobicContact CB-CG2 3.97Å; R194-T200 PolarHBondContact NE-OG1 3.16Å; R194-T200 PolarHBondContact NH2-OG1 3.21Å
195	D	97.7	Very high	96.6	Very high	117 Å²	117	55.9 Å²	55.9	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-63.2	-29.3	178.5	-66.8	-16.4	0	0	0	111.5	K191 P192 G197	K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 2.79Å; P192-D195 PolarHBondContact O-N 2.93Å; D195-G197 VanDerWaalsContact C-N 3.32Å
196	L	97.3	Very high	96.6	Very high	62 Å²	62	54.8 Å²	54.8	33%	0.325	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14	171.8	-70.6	171.4	0	0	0	113.8	Y166 L170 P177 P192 A193 R194 M198	Y166-L196 HydrophobicContact CG-CD1 4.41Å; L170-L196 HydrophobicContact CD1-CD1 4.22Å; P177-L196 HydrophobicContact CB-CB 4.28Å; P177-L196 WeakPolarHBondContact CB-O 3.32Å; P177-L196 HydrophobicContact CG-CB 4.3Å; P177-L196 VanDerWaalsContact CG-O 3.23Å; P177-L196 WeakPolarHBondContact CG-O 3.31Å; P192-L196 WeakPolarHBondContact O-CG 3.23Å; P192-L196 PolarHBondContact O-N 2.92Å; A193-L196 PolarHBondContact O-N 3.32Å; R194-L196 PolarHBondContact O-N 2.7Å; L196-M198 HydrophobicContact CD1-CE 4.3Å
197	G	97.5	Very high	96.7	Very high	42 Å²	42	56.4 Å²	56.4	43%	0.433	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	18.2	-179.3	0	0	0	0	0	115.3	P177 A193 R194 D195	P177-G197 CarbonylContact C-O 3.6Å; A193-G197 PolarHBondContact O-N 3.4Å; R194-G197 WeakPolarHBondContact O-CA 3.24Å; R194-G197 PolarHBondContact O-N 3Å; D195-G197 VanDerWaalsContact C-N 3.32Å
198	M	98.5	Very high	96.9	Very high	9 Å²	9	57.7 Å²	57.7	4%	0.044	30%	0.297	C	S	.	.			trans	-73.8	152	170	-56.1	176.5	-174.4	0	0	111.4	L169 L170 P177 V180 F182 A193 L196	L169-M198 HydrophobicContact CD2-CE 4.19Å; L170-M198 HydrophobicContact CD1-CE 3.75Å; L170-M198 HydrophobicContact CD2-CE 3.56Å; L170-M198 HydrophobicContact CG-CE 3.55Å; P177-M198 HydrophobicContact CB-CG 4.02Å; P177-M198 WeakPolarHBondContact O-CA 3.46Å; V180-M198 HydrophobicContact CB-CG 4.19Å; V180-M198 HydrophobicContact CB-SD 4.45Å; V180-M198 HydrophobicContact CG1-SD 4.26Å; F182-M198 HydrophobicContact CB-SD 4.45Å; A193-M198 HydrophobicContact CB-CB 4.29Å; A193-M198 HydrophobicContact CB-CG 4.38Å; A193-M198 HydrophobicContact CB-SD 3.56Å; A193-M198 VanDerWaalsContact CB-SD 3.56Å; A193-M198 VanDerWaalsContact O-CB 3.29Å; A193-M198 WeakPolarHBondContact O-CB 3.5Å; A193-M198 WeakPolarHBondContact O-CG 3.34Å; A193-M198 PolarHBondContact O-N 3.18Å; L196-M198 HydrophobicContact CD1-CE 4.3Å
199	V	98.6	Very high	97.1	Very high	49 Å²	49	54.4 Å²	54.4	30%	0.297	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.1	164.8	178.7	0	0	0	0	107.7	L3 V180 V181 F182 V216	L3-V199 HydrophobicContact CD2-CB 4.37Å; L3-V199 HydrophobicContact CD2-CG2 3.92Å; V180-V199 PolarHBondContact O-N 3.4Å; V181-V199 CarbonylContact C-O 3.57Å; V181-V199 VanDerWaalsContact CA-O 3.29Å; V181-V199 WeakPolarHBondContact CA-O 3.48Å; V181-V199 HydrophobicContact CB-CB 4.22Å; V181-V199 HydrophobicContact CB-CG1 4.4Å; V181-V199 HydrophobicContact CG2-CB 4.28Å; V181-V199 HydrophobicContact CG2-CG1 4Å; F182-V199 PolarHBondContact N-O 3.09Å; V199-V216 HydrophobicContact CG1-CB 4.18Å; V199-V216 HydrophobicContact CG1-CG1 4.02Å; V199-V216 HydrophobicContact CG1-CG2 4.13Å
200	T	98.6	Very high	97.2	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.16	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.7	-177.8	63.4	0	0	0	0	111.6	F182 L190 A193 R194	F182-T200 CarbonylContact O-C 3.14Å; F182-T200 WeakPolarHBondContact O-CA 3.35Å; L190-T200 HydrophobicContact CB-CG2 4.44Å; L190-T200 HydrophobicContact CD2-CG2 4.26Å; A193-T200 HydrophobicContact CB-CG2 3.93Å; R194-T200 HydrophobicContact CB-CG2 3.97Å; R194-T200 PolarHBondContact NE-OG1 3.16Å; R194-T200 PolarHBondContact NH2-OG1 3.21Å
201	I	98.6	Very high	97.2	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123	175.2	-62.9	170.4	0	0	0	108.3	V181 F182 L183 D184 L190 V203 A209 E212 L213 V216	V181-I201 HydrophobicContact CG2-CD1 3.81Å; V181-I201 HydrophobicContact CG2-CG1 4.26Å; F182-I201 PolarHBondContact O-N 3.49Å; L183-I201 HydrophobicContact CD2-CB 4.38Å; L183-I201 HydrophobicContact CD2-CD1 4.22Å; L183-I201 HydrophobicContact CD2-CG2 4.38Å; L183-I201 HydrophobicContact CG-CB 4.15Å; L183-I201 HydrophobicContact CG-CD1 4.29Å; D184-I201 PolarHBondContact N-O 3.22Å; L190-I201 WeakPolarHBondContact CD1-O 3.4Å; I201-V203 HydrophobicContact CG2-CG2 4.47Å; I201-V203 PolarHBondContact O-N 3.38Å; I201-A209 HydrophobicContact CG2-CB 4.04Å; I201-E212 HydrophobicContact CD1-CB 4.09Å; I201-E212 HydrophobicContact CG1-CB 4.22Å; I201-E212 HydrophobicContact CG2-CB 4.19Å; I201-L213 HydrophobicContact CD1-CB 3.78Å; I201-L213 HydrophobicContact CD1-CD1 3.89Å; I201-L213 HydrophobicContact CD1-CG 4.44Å; I201-V216 HydrophobicContact CD1-CG2 4.34Å
202	L	98.3	Very high	97.3	Very high	56 Å²	56	59.3 Å²	59.3	29%	0.293	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	109	173.9	178.9	64.8	0	0	0	109.5	D184 D185 L190 R204	D184-L202 WeakPolarHBondContact O-CA 3.43Å; D185-L202 WeakPolarHBondContact O-CD1 3.39Å; L190-L202 HydrophobicContact CD1-CB 3.8Å; L190-L202 HydrophobicContact CD1-CD1 3.96Å; L202-R204 HydrophobicContact CG-CG 4.39Å; L202-R204 PolarHBondContact O-N 2.94Å
203	V	97.6	Very high	97.3	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.03	29%	0.286	C	S	.	.			trans	-82.2	112.6	-176.4	-174.1	0	0	0	0	109.7	V13 M105 L183 D184 D185 I201 A209	V13-V203 HydrophobicContact CG1-CG2 4.24Å; V13-V203 HydrophobicContact CG2-CB 3.87Å; V13-V203 HydrophobicContact CG2-CG1 4.19Å; V13-V203 HydrophobicContact CG2-CG2 3.81Å; M105-V203 HydrophobicContact CE-CG1 4.28Å; L183-V203 HydrophobicContact CB-CG2 3.94Å; L183-V203 HydrophobicContact CD2-CG2 4.33Å; D184-V203 PolarHBondContact O-N 3.21Å; D185-V203 VanDerWaalsContact CA-O 3.32Å; D185-V203 WeakPolarHBondContact CA-O 3.44Å; D185-V203 HydrophobicContact CB-CB 4.41Å; D185-V203 VanDerWaalsContact CB-O 3.3Å; D185-V203 WeakPolarHBondContact CB-O 3.18Å; I201-V203 HydrophobicContact CG2-CG2 4.47Å; I201-V203 PolarHBondContact O-N 3.38Å; V203-A209 HydrophobicContact CB-CB 4.34Å; V203-A209 HydrophobicContact CG1-CB 4Å; V203-A209 HydrophobicContact CG2-CB 4.02Å
204	R	92.4	Very high	97.3	Very high	220 Å²	220	61.4 Å²	61.4	83%	0.83	30%	0.3	S	S	*	.	S	Bend	trans	-115	-43.3	171.2	-65	-177.2	178.6	-99.5	0.7	111.6	L202	L202-R204 HydrophobicContact CG-CG 4.39Å; L202-R204 PolarHBondContact O-N 2.94Å
205	D	94.4	Very high	97.3	Very high	76 Å²	76	63.2 Å²	63.2	41%	0.406	31%	0.312	S	S	.	.	S	Bend	trans	-128	140.5	176.8	161.6	-112.8	0	0	0	107.6	D207 T208 A209	D205-D207 PolarHBondContact OD1-N 3.26Å; D205-T208 WeakPolarHBondContact OD1-CB 3.31Å; D205-T208 PolarHBondContact OD1-N 2.83Å; D205-T208 PolarHBondContact OD1-OG1 2.94Å; D205-A209 WeakPolarHBondContact O-CB 3.35Å; D205-A209 PolarHBondContact O-N 3.47Å
206	T	96.4	Very high	97.3	Very high	19 Å²	19	60.6 Å²	60.6	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-45.2	-174.3	-63.8	0	0	0	0	110.8	N102 P104 M105 T208 A209 L210	N102-T206 PolarHBondContact ND2-OG1 2.71Å; P104-T206 HydrophobicContact CB-CG2 3.92Å; M105-T206 HydrophobicContact CE-CG2 4.34Å; T206-T208 PolarHBondContact O-N 2.93Å; T206-A209 PolarHBondContact O-N 3.1Å; T206-L210 HydrophobicContact CG2-CD1 3.98Å; T206-L210 HydrophobicContact CG2-CG 4.24Å; T206-L210 WeakPolarHBondContact O-CB 3.46Å; T206-L210 VanDerWaalsContact O-CG 3.26Å; T206-L210 WeakPolarHBondContact O-CG 3.5Å; T206-L210 PolarHBondContact O-N 2.87Å
207	D	95.8	Very high	97.2	Very high	80 Å²	80	58.8 Å²	58.8	43%	0.428	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-43.2	-177.1	-73.9	-5	0	0	0	111.5	D205 L210 R211	D205-D207 PolarHBondContact OD1-N 3.26Å; D207-L210 PolarHBondContact O-N 3.23Å; D207-R211 WeakPolarHBondContact O-CG 3.38Å; D207-R211 PolarHBondContact O-N 2.94Å
208	T	97	Very high	97.1	Very high	69 Å²	69	60.1 Å²	60.1	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-45.1	177.4	-54.7	0	0	0	0	111.2	D205 T206 L210 R211 E212	D205-T208 WeakPolarHBondContact OD1-CB 3.31Å; D205-T208 PolarHBondContact OD1-N 2.83Å; D205-T208 PolarHBondContact OD1-OG1 2.94Å; T206-T208 PolarHBondContact O-N 2.93Å; T208-L210 VanDerWaalsContact C-N 3.32Å; T208-L210 PolarHBondContact O-N 2.98Å; T208-R211 PolarHBondContact O-N 2.99Å; T208-E212 PolarHBondContact O-N 2.86Å
209	A	98	Very high	97	Very high	2 Å²	2	61 Å²	61	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-39.7	176	0	0	0	0	0	112	M105 I201 V203 D205 T206 E212 L213	M105-A209 HydrophobicContact CE-CB 4.18Å; I201-A209 HydrophobicContact CG2-CB 4.04Å; V203-A209 HydrophobicContact CB-CB 4.34Å; V203-A209 HydrophobicContact CG1-CB 4Å; V203-A209 HydrophobicContact CG2-CB 4.02Å; D205-A209 WeakPolarHBondContact O-CB 3.35Å; D205-A209 PolarHBondContact O-N 3.47Å; T206-A209 PolarHBondContact O-N 3.1Å; A209-E212 PolarHBondContact O-N 3.24Å; A209-L213 WeakPolarHBondContact O-CB 3.17Å; A209-L213 PolarHBondContact O-N 3.2Å
210	L	97.9	Very high	96.7	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-68	-35.2	176.3	-69.8	-176.4	0	0	0	112.6	P104 M105 A108 T206 D207 T208 L213 E214 L222	P104-L210 HydrophobicContact CB-CD1 4.12Å; M105-L210 HydrophobicContact CE-CD2 4.23Å; M105-L210 HydrophobicContact SD-CD2 3.86Å; A108-L210 HydrophobicContact CB-CD2 3.31Å; T206-L210 HydrophobicContact CG2-CD1 3.98Å; T206-L210 HydrophobicContact CG2-CG 4.24Å; T206-L210 WeakPolarHBondContact O-CB 3.46Å; T206-L210 VanDerWaalsContact O-CG 3.26Å; T206-L210 WeakPolarHBondContact O-CG 3.5Å; T206-L210 PolarHBondContact O-N 2.87Å; D207-L210 PolarHBondContact O-N 3.23Å; T208-L210 VanDerWaalsContact C-N 3.32Å; T208-L210 PolarHBondContact O-N 2.98Å; L210-L213 HydrophobicContact CD2-CD2 4.25Å; L210-L213 PolarHBondContact O-N 3.44Å; L210-E214 VanDerWaalsContact O-CB 3.27Å; L210-E214 WeakPolarHBondContact O-CB 3.29Å; L210-E214 PolarHBondContact O-N 3.18Å; L210-L222 HydrophobicContact CB-CD1 4.09Å; L210-L222 HydrophobicContact CB-CD2 3.9Å; L210-L222 HydrophobicContact CB-CG 3.92Å; L210-L222 HydrophobicContact CD1-CD2 3.92Å
211	R	97.7	Very high	96.4	Very high	159 Å²	159	63.8 Å²	63.8	60%	0.6	32%	0.318	S	S	*	.	H	α-helix	trans	-63.6	-42.5	172	-71.6	178.5	-167.1	172.8	5.4	111.7	D207 T208 L213 K215 L222	D207-R211 WeakPolarHBondContact O-CG 3.38Å; D207-R211 PolarHBondContact O-N 2.94Å; T208-R211 PolarHBondContact O-N 2.99Å; R211-L213 VanDerWaalsContact C-N 3.35Å; R211-K215 WeakPolarHBondContact O-CB 3.36Å; R211-K215 PolarHBondContact O-N 2.8Å; R211-L222 HydrophobicContact CB-CD1 4.17Å; R211-L222 HydrophobicContact CG-CD1 3.24Å
212	E	97.9	Very high	96	Very high	88 Å²	88	64.9 Å²	64.9	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.3	-71.3	-175	-159.7	0	0	111.1	I201 T208 A209 K215 V216	I201-E212 HydrophobicContact CD1-CB 4.09Å; I201-E212 HydrophobicContact CG1-CB 4.22Å; I201-E212 HydrophobicContact CG2-CB 4.19Å; T208-E212 PolarHBondContact O-N 2.86Å; A209-E212 PolarHBondContact O-N 3.24Å; E212-K215 PolarHBondContact O-N 2.82Å; E212-V216 WeakPolarHBondContact O-CG1 3.32Å; E212-V216 WeakPolarHBondContact O-CG2 3.36Å; E212-V216 PolarHBondContact O-N 3.36Å
213	L	98	Very high	95.3	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-45.4	178.1	-172.7	59.4	0	0	0	112	F8 A108 L112 V181 L183 I201 A209 L210 R211 K215 V216 T217 L221	F8-L213 HydrophobicContact CE1-CD2 4.27Å; F8-L213 HydrophobicContact CZ-CD2 4.42Å; A108-L213 HydrophobicContact CB-CD2 4.47Å; L112-L213 HydrophobicContact CD1-CD1 4.25Å; L112-L213 HydrophobicContact CD1-CD2 3.94Å; L112-L213 HydrophobicContact CD1-CG 4.25Å; V181-L213 HydrophobicContact CB-CD1 4.45Å; V181-L213 HydrophobicContact CG1-CD1 3.8Å; V181-L213 HydrophobicContact CG2-CD1 3.82Å; L183-L213 HydrophobicContact CD1-CD1 4.1Å; L183-L213 HydrophobicContact CD1-CD2 4.47Å; L183-L213 HydrophobicContact CD2-CD1 4.45Å; L183-L213 HydrophobicContact CD2-CD2 3.99Å; I201-L213 HydrophobicContact CD1-CB 3.78Å; I201-L213 HydrophobicContact CD1-CD1 3.89Å; I201-L213 HydrophobicContact CD1-CG 4.44Å; A209-L213 WeakPolarHBondContact O-CB 3.17Å; A209-L213 PolarHBondContact O-N 3.2Å; L210-L213 HydrophobicContact CD2-CD2 4.25Å; L210-L213 PolarHBondContact O-N 3.44Å; R211-L213 VanDerWaalsContact C-N 3.35Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 3.29Å; L213-V216 HydrophobicContact CD1-CG2 4.44Å; L213-V216 WeakPolarHBondContact O-CG2 3.3Å; L213-V216 PolarHBondContact O-N 3.43Å; L213-T217 HydrophobicContact CD1-CG2 3.94Å; L213-T217 HydrophobicContact CG-CG2 4.43Å; L213-T217 WeakPolarHBondContact O-CB 3.44Å; L213-T217 VanDerWaalsContact O-CG2 3.28Å; L213-T217 WeakPolarHBondContact O-CG2 3.45Å; L213-T217 PolarHBondContact O-N 2.98Å; L213-T217 PolarHBondContact O-OG1 2.82Å; L213-L221 HydrophobicContact CB-CD1 3.94Å; L213-L221 HydrophobicContact CD2-CD1 3.61Å; L213-L221 HydrophobicContact CG-CD1 3.49Å; L213-L221 VanDerWaalsContact CG-CD1 3.49Å
214	E	97.6	Very high	94.6	Very high	61 Å²	61	71.9 Å²	71.9	29%	0.285	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-44.3	174	170.2	168.9	119.9	0	0	110.9	L210 V216 T217 G218 I219 Q220 L221 L222	L210-E214 VanDerWaalsContact O-CB 3.27Å; L210-E214 WeakPolarHBondContact O-CB 3.29Å; L210-E214 PolarHBondContact O-N 3.18Å; E214-V216 PolarHBondContact O-N 2.98Å; E214-T217 PolarHBondContact O-N 3.21Å; E214-T217 PolarHBondContact O-OG1 2.78Å; E214-G218 WeakPolarHBondContact O-CA 3.41Å; E214-G218 PolarHBondContact O-N 2.8Å; E214-I219 WeakPolarHBondContact CA-O 3.17Å; E214-I219 VanDerWaalsContact CG-O 3.28Å; E214-I219 WeakPolarHBondContact CG-O 3.23Å; E214-Q220 WeakPolarHBondContact OE2-CA 3.31Å; E214-L221 HydrophobicContact CB-CB 4.43Å; E214-L221 HydrophobicContact CB-CD1 4.42Å; E214-L221 HydrophobicContact CB-CG 4.43Å; E214-L221 PolarHBondContact OE2-N 2.94Å; E214-L222 PolarHBondContact OE2-N 3.05Å; E214-L222 VanDerWaalsContact OE2-N 3.14Å
215	K	97.2	Very high	94	Very high	181 Å²	181	67 Å²	67	79%	0.787	36%	0.36	S	S	*	.	H	α-helix	trans	-61.7	-43	178.7	-177.9	-178.4	177.7	-176.6	0	112.9	R211 E212 L213	R211-K215 WeakPolarHBondContact O-CB 3.36Å; R211-K215 PolarHBondContact O-N 2.8Å; E212-K215 PolarHBondContact O-N 2.82Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 3.29Å
216	V	97.3	Very high	93.4	Very high	62 Å²	62	68 Å²	68	38%	0.376	38%	0.379	S	S	.	.	H	α-helix	trans	-81.1	-27.9	-176.9	-59.4	0	0	0	0	112.9	L3 V181 V199 I201 E212 L213 E214	L3-V216 HydrophobicContact CD1-CB 4.15Å; L3-V216 HydrophobicContact CD1-CG2 3.97Å; L3-V216 WeakPolarHBondContact CD1-O 3.27Å; V181-V216 HydrophobicContact CG2-CG2 4.19Å; V199-V216 HydrophobicContact CG1-CB 4.18Å; V199-V216 HydrophobicContact CG1-CG1 4.02Å; V199-V216 HydrophobicContact CG1-CG2 4.13Å; I201-V216 HydrophobicContact CD1-CG2 4.34Å; E212-V216 WeakPolarHBondContact O-CG1 3.32Å; E212-V216 WeakPolarHBondContact O-CG2 3.36Å; E212-V216 PolarHBondContact O-N 3.36Å; L213-V216 HydrophobicContact CD1-CG2 4.44Å; L213-V216 WeakPolarHBondContact O-CG2 3.3Å; L213-V216 PolarHBondContact O-N 3.43Å; E214-V216 PolarHBondContact O-N 2.98Å
217	T	96.8	Very high	92.8	Very high	24 Å²	24	70.4 Å²	70.4	15%	0.147	40%	0.395	C	S	.	.	H	α-helix	trans	-89.6	-23.9	178.9	59.6	0	0	0	0	113.2	L3 L112 F117 L213 E214 I219	L3-T217 HydrophobicContact CD1-CG2 4.16Å; L112-T217 HydrophobicContact CD2-CG2 3.91Å; F117-T217 HydrophobicContact CE1-CG2 4.03Å; F117-T217 HydrophobicContact CZ-CG2 4.03Å; L213-T217 HydrophobicContact CD1-CG2 3.94Å; L213-T217 HydrophobicContact CG-CG2 4.43Å; L213-T217 WeakPolarHBondContact O-CB 3.44Å; L213-T217 VanDerWaalsContact O-CG2 3.28Å; L213-T217 WeakPolarHBondContact O-CG2 3.45Å; L213-T217 PolarHBondContact O-N 2.98Å; L213-T217 PolarHBondContact O-OG1 2.82Å; E214-T217 PolarHBondContact O-N 3.21Å; E214-T217 PolarHBondContact O-OG1 2.78Å; T217-I219 PolarHBondContact O-N 3.18Å; T217-I219 PolarHBondContact OG1-N 2.81Å
218	G	95.8	Very high	92.5	Very high	71 Å²	71	72 Å²	72	73%	0.732	40%	0.403	S	S	*	.			trans	69.1	13.5	-171.8	0	0	0	0	0	113.6	E214	E214-G218 WeakPolarHBondContact O-CA 3.41Å; E214-G218 PolarHBondContact O-N 2.8Å
219	I	94.5	Very high	92.2	Very high	27 Å²	27	70 Å²	70	14%	0.138	39%	0.391	C	S	.	.			trans	-105.6	130.9	-180	-65.8	167.4	0	0	0	108	M111 L112 K115 F117 E214 T217 L221	M111-I219 HydrophobicContact CG-CG2 4Å; L112-I219 HydrophobicContact CD2-CB 4.22Å; L112-I219 HydrophobicContact CD2-CD1 3.58Å; L112-I219 HydrophobicContact CD2-CG1 4.47Å; L112-I219 HydrophobicContact CD2-CG2 4.37Å; K115-I219 HydrophobicContact CB-CD1 3.7Å; K115-I219 HydrophobicContact CG-CD1 4Å; K115-I219 HydrophobicContact CG-CG1 4.43Å; K115-I219 HydrophobicContact CG-CG2 4.11Å; F117-I219 HydrophobicContact CD2-CD1 4.11Å; F117-I219 HydrophobicContact CE2-CD1 3.48Å; F117-I219 VanDerWaalsContact CE2-CD1 3.48Å; F117-I219 HydrophobicContact CZ-CD1 4.14Å; E214-I219 WeakPolarHBondContact CA-O 3.17Å; E214-I219 VanDerWaalsContact CG-O 3.28Å; E214-I219 WeakPolarHBondContact CG-O 3.23Å; T217-I219 PolarHBondContact O-N 3.18Å; T217-I219 PolarHBondContact OG1-N 2.81Å; I219-L221 HydrophobicContact CG2-CD2 3.86Å; I219-L221 HydrophobicContact CG2-CG 4.49Å; I219-L221 WeakPolarHBondContact O-CG 3.29Å; I219-L221 PolarHBondContact O-N 3.24Å
220	Q	93.9	Very high	91.9	Very high	121 Å²	121	72.6 Å²	72.6	57%	0.565	41%	0.407	S	S	*	.			trans	-66.8	119.4	174.4	-172.1	-178.7	5.6	0	0	110.6	E214 L222 T224	E214-Q220 WeakPolarHBondContact OE2-CA 3.31Å; Q220-L222 PolarHBondContact NE2-O 3.09Å; Q220-T224 HydrophobicContact CG-CG2 4.32Å
221	L	91.9	Very high	91.6	Very high	13 Å²	13	74.6 Å²	74.6	7%	0.068	42%	0.421	C	S	.	.			trans	-120.1	-19	-179	-57.4	174.6	0	0	0	112.1	A108 M111 L112 L213 E214 I219	A108-L221 HydrophobicContact CB-CB 4.27Å; A108-L221 HydrophobicContact CB-CD1 4.25Å; A108-L221 HydrophobicContact CB-CD2 4.27Å; A108-L221 HydrophobicContact CB-CG 4.48Å; M111-L221 HydrophobicContact CB-CD2 3.88Å; M111-L221 HydrophobicContact CG-CD2 3.84Å; L112-L221 HydrophobicContact CD2-CD1 4.41Å; L112-L221 HydrophobicContact CD2-CD2 4.11Å; L112-L221 HydrophobicContact CG-CD2 4.12Å; L213-L221 HydrophobicContact CB-CD1 3.94Å; L213-L221 HydrophobicContact CD2-CD1 3.61Å; L213-L221 HydrophobicContact CG-CD1 3.49Å; L213-L221 VanDerWaalsContact CG-CD1 3.49Å; E214-L221 HydrophobicContact CB-CB 4.43Å; E214-L221 HydrophobicContact CB-CD1 4.42Å; E214-L221 HydrophobicContact CB-CG 4.43Å; E214-L221 PolarHBondContact OE2-N 2.94Å; I219-L221 HydrophobicContact CG2-CD2 3.86Å; I219-L221 HydrophobicContact CG2-CG 4.49Å; I219-L221 WeakPolarHBondContact O-CG 3.29Å; I219-L221 PolarHBondContact O-N 3.24Å
222	L	89.3	Confident	91.3	Very high	26 Å²	26	67.3 Å²	67.3	14%	0.136	39%	0.394	C	S	.	.	S	Bend	trans	-104.1	151.1	176.9	-72.5	164.7	0	0	0	111.9	L210 R211 E214 Q220 T224	L210-L222 HydrophobicContact CB-CD1 4.09Å; L210-L222 HydrophobicContact CB-CD2 3.9Å; L210-L222 HydrophobicContact CB-CG 3.92Å; L210-L222 HydrophobicContact CD1-CD2 3.92Å; R211-L222 HydrophobicContact CB-CD1 4.17Å; R211-L222 HydrophobicContact CG-CD1 3.24Å; E214-L222 PolarHBondContact OE2-N 3.05Å; E214-L222 VanDerWaalsContact OE2-N 3.14Å; Q220-L222 PolarHBondContact NE2-O 3.09Å; L222-T224 PolarHBondContact O-N 2.78Å; L222-T224 VanDerWaalsContact O-N 3.15Å
223	N	84.6	Confident	91	Very high	158 Å²	158	66.9 Å²	66.9	85%	0.845	39%	0.394	S	S	*	.	S	Bend	trans	53.5	31.2	179.7	-54.2	-46.3	0	0	0	113.5
224	T	81.6	Confident	90.8	Very high	50 Å²	50	68.3 Å²	68.3	31%	0.307	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-73.5	151.7	174.7	57.4	0	0	0	0	110.3	Q220 L222	Q220-T224 HydrophobicContact CG-CG2 4.32Å; L222-T224 PolarHBondContact O-N 2.78Å; L222-T224 VanDerWaalsContact O-N 3.15Å
225	P	80.8	Confident	90.6	Very high	116 Å²	116	69.9 Å²	69.9	75%	0.753	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-51.4	152.2	168.4	-24.1	33.5	0	0	0	111.4
226	A	80.7	Confident	90.4	Very high	98 Å²	98	67.2 Å²	67.2	81%	0.81	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-55	124.5	176.6	0	0	0	0	0	109.5
227	P	84.6	Confident	90.3	Very high	70 Å²	70	65.5 Å²	65.5	46%	0.455	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-69.7	149.2	-178.7	28.3	-33.3	0	0	0	109.9	Q107	Q107-P227 VanDerWaalsContact CD-CG 3.49Å; Q107-P227 HydrophobicContact CG-CG 4.2Å; Q107-P227 VanDerWaalsContact OE1-CG 3.24Å
228	L	89.6	Confident	90.3	Very high	114 Å²	114	67.7 Å²	67.7	60%	0.597	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-62.4	151.1	168.8	-66.6	174.8	0	0	0	110	Y276 P531	L228-Y276 HydrophobicContact CB-CE1 4.15Å; L228-Y276 HydrophobicContact CD1-CE1 4.46Å; L228-P531 HydrophobicContact CD2-CG 3.82Å
229	P	91.7	Very high	90.5	Very high	27 Å²	27	67.4 Å²	67.4	18%	0.175	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-54.7	160.2	170.7	-25.6	36.5	0	0	0	112.2	C231 Y276 P531 A532 N535	P229-C231 PolarHBondContact O-N 2.93Å; P229-C231 VanDerWaalsContact O-N 3.11Å; P229-Y276 HydrophobicContact CB-CD1 4.29Å; P229-Y276 WeakPolarHBondContact O-CD1 3.17Å; P229-Y276 WeakPolarHBondContact O-CE1 3.4Å; P229-P531 HydrophobicContact CG-CB 4.03Å; P229-P531 HydrophobicContact CG-CG 4.44Å; P229-A532 HydrophobicContact CG-CB 4.28Å; P229-N535 WeakPolarHBondContact CB-ND2 3.45Å; P229-N535 WeakPolarHBondContact CG-ND2 3.28Å
230	T	89.9	Confident	90.6	Very high	55 Å²	55	66.8 Å²	66.8	34%	0.337	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-61.3	116.8	177.4	-55	0	0	0	0	110.7
231	C	91.7	Very high	90.9	Very high	46 Å²	46	66.1 Å²	66.1	31%	0.311	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-75.1	155.6	173.4	-168.5	0	0	0	0	111.1	P229 R275 Y276	P229-C231 PolarHBondContact O-N 2.93Å; P229-C231 VanDerWaalsContact O-N 3.11Å; C231-R275 CarbonylContact C-O 3.59Å; C231-R275 WeakPolarHBondContact CA-O 3.45Å; C231-R275 WeakPolarHBondContact SG-CD 3.37Å; C231-R275 VanDerWaalsContact SG-CG 3.52Å; C231-Y276 HydrophobicContact CB-CD1 4.09Å; C231-Y276 HydrophobicContact CB-CE1 3.67Å
232	C	92	Very high	91.2	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.034	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-86.8	137.3	171.8	-62.6	0	0	0	0	110.5	M237 W271 Y272 R275	C232-M237 HydrophobicContact CB-CE 4.35Å; C232-M237 HydrophobicContact CB-CG 4.33Å; C232-M237 HydrophobicContact CB-SD 3.84Å; C232-W271 HydrophobicContact CB-CZ3 4.28Å; C232-Y272 WeakPolarHBondContact O-CE2 3.31Å; C232-R275 HydrophobicContact CB-CB 4.24Å; C232-R275 PolarHBondContact N-O 3.2Å; C232-R275 VanDerWaalsContact N-O 3.13Å; C232-R275 PolarHBondContact SG-O 3.04Å
233	N	92.1	Very high	91.6	Very high	79 Å²	79	68.8 Å²	68.8	42%	0.422	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-93.2	118.8	162.6	175.1	-1.4	0	0	0	108.1	S235 D236 M237	N233-S235 PolarHBondContact ND2-OG 3.34Å; N233-S235 PolarHBondContact O-N 3.27Å; N233-S235 VanDerWaalsContact O-N 3.1Å; N233-S235 PolarHBondContact OD1-N 2.98Å; N233-S235 PolarHBondContact OD1-OG 2.99Å; N233-D236 HydrophobicContact CB-CB 4.38Å; N233-D236 VanDerWaalsContact CB-OD2 3.31Å; N233-D236 WeakPolarHBondContact CB-OD2 3.36Å; N233-D236 PolarHBondContact ND2-OD2 2.96Å; N233-D236 PolarHBondContact O-N 3.01Å; N233-M237 WeakPolarHBondContact O-CG 3.21Å
234	P	93.8	Very high	92.2	Very high	30 Å²	30	61.9 Å²	61.9	20%	0.195	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-49.6	-40.4	-177.3	-30.4	36.9	0	0	0	114.3	D236 M237 H239 W271 Y272 F449	P234-D236 PolarHBondContact O-N 3.26Å; P234-M237 PolarHBondContact O-N 3.42Å; P234-H239 PolarHBondContact O-NE2 2.9Å; P234-W271 HydrophobicContact CB-CH2 4.29Å; P234-W271 HydrophobicContact CB-CZ2 3.98Å; P234-W271 HydrophobicContact CG-CH2 4.29Å; P234-W271 HydrophobicContact CG-CZ2 4.18Å; P234-Y272 HydrophobicContact CG-CD2 4.07Å; P234-Y272 HydrophobicContact CG-CE2 3.75Å; P234-F449 HydrophobicContact CB-CD2 4.35Å; P234-F449 HydrophobicContact CB-CE2 3.9Å; P234-F449 HydrophobicContact CG-CD2 3.68Å; P234-F449 HydrophobicContact CG-CE2 3.57Å
235	S	93.2	Very high	92.9	Very high	95 Å²	95	62.8 Å²	62.8	66%	0.664	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-68.5	-19	-177.1	56	0	0	0	0	115	N233	N233-S235 PolarHBondContact ND2-OG 3.34Å; N233-S235 PolarHBondContact O-N 3.27Å; N233-S235 VanDerWaalsContact O-N 3.1Å; N233-S235 PolarHBondContact OD1-N 2.98Å; N233-S235 PolarHBondContact OD1-OG 2.99Å
236	D	91.9	Very high	93.5	Very high	124 Å²	124	63.4 Å²	63.4	66%	0.663	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-96.7	-1.3	-177.8	-60.8	-37.7	0	0	0	112.4	N233 P234	N233-D236 HydrophobicContact CB-CB 4.38Å; N233-D236 VanDerWaalsContact CB-OD2 3.31Å; N233-D236 WeakPolarHBondContact CB-OD2 3.36Å; N233-D236 PolarHBondContact ND2-OD2 2.96Å; N233-D236 PolarHBondContact O-N 3.01Å; P234-D236 PolarHBondContact O-N 3.26Å
237	M	95.6	Very high	94	Very high	26 Å²	26	62.3 Å²	62.3	13%	0.128	38%	0.377	C	S	.	.	S	Bend	trans	-89.4	154.5	-174.2	-58.8	-51	-69.2	0	0	112.7	C232 N233 P234 H239 V253 L255 W271 I278	C232-M237 HydrophobicContact CB-CE 4.35Å; C232-M237 HydrophobicContact CB-CG 4.33Å; C232-M237 HydrophobicContact CB-SD 3.84Å; N233-M237 WeakPolarHBondContact O-CG 3.21Å; P234-M237 PolarHBondContact O-N 3.42Å; M237-H239 PolarHBondContact O-CD2 2.65Å; M237-H239 VanDerWaalsContact O-CD2 3.26Å; M237-V253 HydrophobicContact CB-CG1 3.72Å; M237-V253 HydrophobicContact CB-CG2 4.22Å; M237-V253 HydrophobicContact CE-CG1 3.43Å; M237-V253 VanDerWaalsContact CE-CG1 3.43Å; M237-V253 HydrophobicContact CG-CG1 3.98Å; M237-L255 HydrophobicContact CE-CB 4.13Å; M237-L255 HydrophobicContact CE-CD2 4.27Å; M237-W271 HydrophobicContact CG-CH2 3.97Å; M237-W271 HydrophobicContact CG-CZ3 4.37Å; M237-I278 HydrophobicContact CE-CG2 3.76Å
238	S	97.6	Very high	94.6	Very high	71 Å²	71	59.4 Å²	59.4	50%	0.497	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119.2	167.5	-168.4	0	0	0	0	109.8	V253 E254	S238-V253 WeakPolarHBondContact O-CA 3.36Å; S238-E254 WeakPolarHBondContact CB-O 3.44Å; S238-E254 PolarHBondContact O-N 3.49Å
239	H	98.6	Very high	95	Very high	64 Å²	64	59.3 Å²	59.3	30%	0.296	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.6	178.1	-70.1	-94.7	0	0	0	110.7	P234 M237 Y241 H251	P234-H239 PolarHBondContact O-NE2 2.9Å; M237-H239 PolarHBondContact O-CD2 2.65Å; M237-H239 VanDerWaalsContact O-CD2 3.26Å; H239-Y241 HydrophobicContact CB-CE2 4.2Å; H239-H251 AromaticContact CE1-NE2 3.83Å; H239-H251 AromaticContact CG-NE2 3.73Å; H239-H251 AromaticContact ND1-CD2 3.97Å; H239-H251 AromaticContact ND1-CE1 3.56Å; H239-H251 AromaticContact ND1-NE2 2.84Å; H239-H251 PolarHBondContact ND1-NE2 3.21Å
240	G	98.5	Very high	95.3	Very high	15 Å²	15	58.2 Å²	58.2	16%	0.155	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.6	177.2	0	0	0	0	0	112.3	H251 F252	G240-H251 WeakPolarHBondContact O-CA 3.43Å; G240-H251 PolarHBondContact O-CD2 3.14Å; G240-F252 VanDerWaalsContact C-CE1 3.46Å; G240-F252 PolarHBondContact N-O 3.34Å; G240-F252 WeakPolarHBondContact O-CD1 3.37Å; G240-F252 PolarHBondContact O-N 3.02Å
241	Y	98.8	Very high	95.7	Very high	106 Å²	106	55.6 Å²	55.6	42%	0.416	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.5	177.4	-54.9	-93.9	0	0	0	110.5	H239 L250 H251 E298	H239-Y241 HydrophobicContact CB-CE2 4.2Å; Y241-L250 CarbonylContact C-O 3.3Å; Y241-L250 WeakPolarHBondContact CA-O 3.31Å; Y241-H251 HydrophobicContact CD1-CB 3.92Å; Y241-H251 HydrophobicContact CE1-CB 3.93Å; Y241-H251 AromaticContact CE1-CD2 3.5Å; Y241-H251 AromaticContact CE1-CG 3.96Å; Y241-H251 AromaticContact CZ-CD2 3.72Å; Y241-E298 HydrophobicContact CE1-CB 4.08Å; Y241-E298 WeakPolarHBondContact CE1-OE2 3.41Å; Y241-E298 PolarHBondContact OH-OE2 3.13Å
242	V	98.6	Very high	96.1	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.2	176.3	178.5	0	0	0	0	109.1	I244 R249 L250 F252 F320 K323 L324	V242-I244 HydrophobicContact CB-CD1 4.46Å; V242-I244 HydrophobicContact CG1-CD1 3.82Å; V242-I244 PolarHBondContact O-N 3.02Å; V242-R249 CarbonylContact O-C 3.57Å; V242-R249 VanDerWaalsContact O-CA 3.32Å; V242-R249 WeakPolarHBondContact O-CA 3.29Å; V242-L250 PolarHBondContact N-O 3.41Å; V242-L250 PolarHBondContact O-N 2.92Å; V242-F252 HydrophobicContact CG2-CE1 4Å; V242-F320 HydrophobicContact CB-CD2 3.8Å; V242-F320 HydrophobicContact CB-CE2 4.01Å; V242-F320 HydrophobicContact CG1-CD2 4.15Å; V242-F320 HydrophobicContact CG2-CD2 3.9Å; V242-F320 HydrophobicContact CG2-CE2 3.72Å; V242-K323 HydrophobicContact CG1-CB 3.56Å; V242-K323 HydrophobicContact CG1-CD 3.66Å; V242-K323 HydrophobicContact CG1-CG 4.18Å; V242-L324 HydrophobicContact CG2-CD2 3.69Å; V242-L324 HydrophobicContact CG2-CG 4.03Å
243	T	98.6	Very high	96.4	Very high	82 Å²	82	53.5 Å²	53.5	50%	0.503	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	118.7	168.4	-56.1	0	0	0	0	109	V248 K323	T243-V248 CarbonylContact C-O 3.57Å; T243-K323 WeakPolarHBondContact O-CD 3.33Å; T243-K323 VanDerWaalsContact O-CE 3.26Å; T243-K323 WeakPolarHBondContact O-CE 3.15Å; T243-K323 PolarHBondContact O-NZ 3.4Å
244	I	97.3	Very high	96.7	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-49.7	-178.2	-59.3	-59.3	0	0	0	110.9	V242 V248 L250 E316 T319 F320	V242-I244 HydrophobicContact CB-CD1 4.46Å; V242-I244 HydrophobicContact CG1-CD1 3.82Å; V242-I244 PolarHBondContact O-N 3.02Å; I244-V248 PolarHBondContact N-O 2.78Å; I244-L250 HydrophobicContact CD1-CD1 3.92Å; I244-L250 HydrophobicContact CD1-CG 4.26Å; I244-L250 HydrophobicContact CG1-CB 4.41Å; I244-L250 HydrophobicContact CG1-CD1 3.73Å; I244-L250 HydrophobicContact CG1-CG 3.68Å; I244-E316 HydrophobicContact CG2-CB 3.82Å; I244-E316 HydrophobicContact CG2-CG 3.69Å; I244-T319 HydrophobicContact CD1-CG2 4.49Å; I244-T319 HydrophobicContact CG2-CG2 3.89Å; I244-F320 HydrophobicContact CD1-CB 3.69Å; I244-F320 HydrophobicContact CD1-CD2 4.28Å
245	K	95.2	Very high	96.9	Very high	70 Å²	70	53.4 Å²	53.4	30%	0.304	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167.3	175	62.6	-178.5	-177.2	-165.5	0	109	G247 V248 E307 E316	K245-G247 PolarHBondContact O-N 3Å; K245-V248 HydrophobicContact CD-CG2 4.42Å; K245-V248 HydrophobicContact CG-CB 3.78Å; K245-V248 HydrophobicContact CG-CG2 3.96Å; K245-V248 PolarHBondContact N-O 3.31Å; K245-V248 PolarHBondContact O-N 3.1Å; K245-E307 VanDerWaalsContact CE-OE2 3.25Å; K245-E307 WeakPolarHBondContact CE-OE2 3.43Å; K245-E307 IonicContact NZ-OE1 2.66Å; K245-E307 PolarHBondContact NZ-OE1 2.81Å; K245-E307 IonicContact NZ-OE2 2.98Å; K245-E307 PolarHBondContact NZ-OE2 3.22Å; K245-E316 WeakPolarHBondContact CE-OE1 3.48Å; K245-E316 IonicContact NZ-OE1 2.83Å; K245-E316 PolarHBondContact NZ-OE1 3.25Å
246	P	94.3	Very high	97	Very high	129 Å²	129	50.9 Å²	50.9	84%	0.838	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	127.3	178.1	-27.7	36.3	0	0	0	111.5	V248	P246-V248 VanDerWaalsContact C-N 3.28Å; P246-V248 PolarHBondContact O-N 2.82Å
247	G	90.3	Very high	97	Very high	75 Å²	75	49 Å²	49	77%	0.773	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-12.2	-178.1	0	0	0	0	0	116.3	K245 S300	K245-G247 PolarHBondContact O-N 3Å; G247-S300 PolarHBondContact O-OG 3.38Å
248	V	96.4	Very high	96.9	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.9	-180	-178	0	0	0	0	110.9	T243 I244 K245 P246 S300 P302	T243-V248 CarbonylContact C-O 3.57Å; I244-V248 PolarHBondContact N-O 2.78Å; K245-V248 HydrophobicContact CD-CG2 4.42Å; K245-V248 HydrophobicContact CG-CB 3.78Å; K245-V248 HydrophobicContact CG-CG2 3.96Å; K245-V248 PolarHBondContact N-O 3.31Å; K245-V248 PolarHBondContact O-N 3.1Å; P246-V248 VanDerWaalsContact C-N 3.28Å; P246-V248 PolarHBondContact O-N 2.82Å; V248-S300 WeakPolarHBondContact CA-OG 3.44Å; V248-P302 HydrophobicContact CG2-CG 4.5Å
249	R	98.4	Very high	96.9	Very high	112 Å²	112	49 Å²	49	42%	0.423	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.6	169.3	73.8	-179.6	-172.8	-173.1	1	110.6	V242 E298 S299 S300	V242-R249 CarbonylContact O-C 3.57Å; V242-R249 VanDerWaalsContact O-CA 3.32Å; V242-R249 WeakPolarHBondContact O-CA 3.29Å; R249-E298 PolarHBondContact NE-O 2.92Å; R249-E298 PolarHBondContact NH2-O 2.91Å; R249-S299 WeakPolarHBondContact O-CA 3.18Å; R249-S300 PolarHBondContact N-OG 3.15Å; R249-S300 PolarHBondContact O-N 3.15Å
250	L	98.9	Very high	96.9	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.4	169.2	-62.7	179.9	0	0	0	109.4	Y241 V242 I244 M291 K294 S299 M317 F320	Y241-L250 CarbonylContact C-O 3.3Å; Y241-L250 WeakPolarHBondContact CA-O 3.31Å; V242-L250 PolarHBondContact N-O 3.41Å; V242-L250 PolarHBondContact O-N 2.92Å; I244-L250 HydrophobicContact CD1-CD1 3.92Å; I244-L250 HydrophobicContact CD1-CG 4.26Å; I244-L250 HydrophobicContact CG1-CB 4.41Å; I244-L250 HydrophobicContact CG1-CD1 3.73Å; I244-L250 HydrophobicContact CG1-CG 3.68Å; L250-M291 HydrophobicContact CB-CE 4.01Å; L250-M291 HydrophobicContact CD1-CE 4.06Å; L250-K294 HydrophobicContact CD2-CB 4.19Å; L250-S299 WeakPolarHBondContact CA-OG 3.34Å; L250-M317 HydrophobicContact CD1-SD 4.1Å; L250-F320 HydrophobicContact CB-CD2 4.31Å; L250-F320 HydrophobicContact CD1-CB 4.34Å; L250-F320 HydrophobicContact CD1-CD2 4.29Å
251	H	98.9	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	146.1	171	165.2	-107.1	0	0	0	110	H239 G240 Y241 W271 D292 E298 S299	H239-H251 AromaticContact CE1-NE2 3.83Å; H239-H251 AromaticContact CG-NE2 3.73Å; H239-H251 AromaticContact ND1-CD2 3.97Å; H239-H251 AromaticContact ND1-CE1 3.56Å; H239-H251 AromaticContact ND1-NE2 2.84Å; H239-H251 PolarHBondContact ND1-NE2 3.21Å; G240-H251 WeakPolarHBondContact O-CA 3.43Å; G240-H251 PolarHBondContact O-CD2 3.14Å; Y241-H251 HydrophobicContact CD1-CB 3.92Å; Y241-H251 HydrophobicContact CE1-CB 3.93Å; Y241-H251 AromaticContact CE1-CD2 3.5Å; Y241-H251 AromaticContact CE1-CG 3.96Å; Y241-H251 AromaticContact CZ-CD2 3.72Å; H251-W271 AromaticContact CE1-CD1 3.69Å; H251-W271 AromaticContact CE1-NE1 3.81Å; H251-D292 HydrophobicContact CB-CB 4.35Å; H251-D292 IonicContact CE1-OD2 3.08Å; H251-D292 IonicContact CG-OD2 3.7Å; H251-D292 IonicContact ND1-OD2 3.68Å; H251-D292 PolarHBondContact ND1-OD2 3.23Å; H251-D292 PolarHBondContact O-N 2.97Å; H251-E298 HydrophobicContact CB-CB 3.67Å; H251-S299 PolarHBondContact N-OG 3.46Å
252	F	98.9	Very high	96.9	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.6	171.4	66.1	-80.2	0	0	0	111	G240 V242 E254 I289 A290 M291 F320 L324	G240-F252 VanDerWaalsContact C-CE1 3.46Å; G240-F252 PolarHBondContact N-O 3.34Å; G240-F252 WeakPolarHBondContact O-CD1 3.37Å; G240-F252 PolarHBondContact O-N 3.02Å; V242-F252 HydrophobicContact CG2-CE1 4Å; F252-E254 HydrophobicContact CD2-CB 4.09Å; F252-E254 HydrophobicContact CE2-CB 3.85Å; F252-E254 HydrophobicContact CE2-CG 4.49Å; F252-I289 HydrophobicContact CB-CG2 3.94Å; F252-I289 HydrophobicContact CD2-CB 4.45Å; F252-I289 HydrophobicContact CD2-CG2 3.57Å; F252-I289 HydrophobicContact CE2-CG2 4.22Å; F252-I289 HydrophobicContact CG-CG2 3.86Å; F252-A290 CarbonylContact C-O 3.47Å; F252-A290 WeakPolarHBondContact CA-O 3.17Å; F252-A290 WeakPolarHBondContact CB-O 3.29Å; F252-M291 HydrophobicContact CB-CE 4.44Å; F252-M291 HydrophobicContact CB-SD 3.73Å; F252-F320 HydrophobicContact CB-CZ 4.45Å; F252-F320 AromaticContact CD1-CE2 3.63Å; F252-F320 HydrophobicContact CD1-CE2 3.63Å; F252-F320 AromaticContact CD1-CZ 3.69Å; F252-F320 HydrophobicContact CD1-CZ 3.69Å; F252-F320 AromaticContact CE1-CE2 3.89Å; F252-F320 HydrophobicContact CE1-CE2 3.89Å; F252-F320 HydrophobicContact CE1-CZ 4.01Å; F252-F320 HydrophobicContact CG-CE2 4.37Å; F252-F320 HydrophobicContact CG-CZ 4.02Å; F252-L324 HydrophobicContact CE1-CD1 4.37Å; F252-L324 HydrophobicContact CE1-CD2 4.32Å; F252-L324 HydrophobicContact CZ-CD1 4.1Å; F252-L324 HydrophobicContact CZ-CD2 4.02Å
253	V	98.8	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.6	166.6	162.1	0	0	0	0	109.9	M237 S238 W271 I278 I289 A290	M237-V253 HydrophobicContact CB-CG1 3.72Å; M237-V253 HydrophobicContact CB-CG2 4.22Å; M237-V253 HydrophobicContact CE-CG1 3.43Å; M237-V253 VanDerWaalsContact CE-CG1 3.43Å; M237-V253 HydrophobicContact CG-CG1 3.98Å; S238-V253 WeakPolarHBondContact O-CA 3.36Å; V253-W271 HydrophobicContact CB-CD2 3.98Å; V253-W271 HydrophobicContact CB-CE3 3.73Å; V253-W271 HydrophobicContact CB-CZ3 4.04Å; V253-W271 HydrophobicContact CG1-CE3 4.05Å; V253-W271 HydrophobicContact CG1-CH2 4.45Å; V253-W271 HydrophobicContact CG1-CZ3 3.9Å; V253-W271 HydrophobicContact CG2-CD2 3.54Å; V253-W271 HydrophobicContact CG2-CE3 3.67Å; V253-W271 HydrophobicContact CG2-CG 4.16Å; V253-W271 HydrophobicContact CG2-CH2 3.89Å; V253-W271 HydrophobicContact CG2-CZ2 3.76Å; V253-W271 HydrophobicContact CG2-CZ3 3.85Å; V253-I278 HydrophobicContact CG1-CD1 4.46Å; V253-I289 CarbonylContact O-C 3.59Å; V253-I289 WeakPolarHBondContact O-CA 3.32Å; V253-A290 PolarHBondContact N-O 3.21Å; V253-A290 PolarHBondContact O-N 3Å
254	E	98.6	Very high	96.9	Very high	44 Å²	44	36.2 Å²	36.2	21%	0.206	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.3	-177.5	-176.1	161.8	-118.8	0	0	112.9	S238 F252 R287 V288	S238-E254 WeakPolarHBondContact CB-O 3.44Å; S238-E254 PolarHBondContact O-N 3.49Å; F252-E254 HydrophobicContact CD2-CB 4.09Å; F252-E254 HydrophobicContact CE2-CB 3.85Å; F252-E254 HydrophobicContact CE2-CG 4.49Å; E254-R287 IonicContact OE1-CZ 3.86Å; E254-R287 IonicContact OE1-NE 2.95Å; E254-R287 PolarHBondContact OE1-NE 3.23Å; E254-R287 IonicContact OE1-NH2 2.82Å; E254-R287 PolarHBondContact OE1-NH2 3.4Å; E254-R287 IonicContact OE2-NH2 3.27Å; E254-V288 VanDerWaalsContact CA-O 3.32Å; E254-V288 WeakPolarHBondContact CA-O 3.44Å
255	L	97.3	Very high	97	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.325	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.2	172.8	-169.6	68.6	0	0	0	111.6	M237 I278 A282 V288	M237-L255 HydrophobicContact CE-CB 4.13Å; M237-L255 HydrophobicContact CE-CD2 4.27Å; L255-I278 HydrophobicContact CB-CG2 3.72Å; L255-I278 HydrophobicContact CD2-CG2 3.89Å; L255-I278 HydrophobicContact CG-CG2 4.46Å; L255-A282 HydrophobicContact CB-CB 4.18Å; L255-A282 HydrophobicContact CD2-CB 3.72Å; L255-A282 HydrophobicContact CG-CB 3.7Å; L255-V288 PolarHBondContact N-O 3Å; L255-V288 VanDerWaalsContact N-O 3.12Å; L255-V288 PolarHBondContact O-N 3.45Å
256	G	95.2	Very high	97.2	Very high	42 Å²	42	32.4 Å²	32.4	43%	0.433	22%	0.22	S	C	.	.			trans	88.4	-172.3	171.8	0	0	0	0	0	114.5
257	S	92	Very high	97.4	Very high	86 Å²	86	26.8 Å²	26.8	60%	0.601	18%	0.182	S	C	*	.			trans	-147.4	157	-177.8	65	0	0	0	0	110.1	G285 Y286	S257-G285 CarbonylContact O-C 3.52Å; S257-Y286 PolarHBondContact N-O 3.15Å; S257-Y286 CarbonylContact O-C 3.56Å; S257-Y286 WeakPolarHBondContact O-CA 3.38Å; S257-Y286 PolarHBondContact O-N 3.41Å
258	G	94.6	Very high	97.8	Very high	48 Å²	48	23.2 Å²	23.2	50%	0.495	15%	0.146	S	C	.	.	S	Bend	trans	116.9	-159.3	-174.6	0	0	0	0	0	112.3	A260 R287	G258-A260 PolarHBondContact O-N 3.46Å; G258-R287 WeakPolarHBondContact O-CB 3.46Å
259	P	96.6	Very high	97.9	Very high	47 Å²	47	22.9 Å²	22.9	31%	0.305	14%	0.144	S	C	.	.	S	Bend	trans	-56.4	136.9	176.1	-23.2	33.7	0	0	0	111.6	Y286 R287 R547	P259-Y286 HydrophobicContact CB-CD1 4.14Å; P259-Y286 HydrophobicContact CB-CE1 4.42Å; P259-Y286 HydrophobicContact CG-CD1 4.33Å; P259-Y286 HydrophobicContact CG-CE1 4.33Å; P259-R287 PolarHBondContact O-N 2.91Å; P259-R547 HydrophobicContact CG-CG 4.23Å
260	A	98.4	Very high	97.9	Very high	11 Å²	11	17.5 Å²	17.5	9%	0.091	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130.5	-178.9	0	0	0	0	0	111.4	G258 R287 I289 L326 A329 V330	G258-A260 PolarHBondContact O-N 3.46Å; A260-R287 CarbonylContact C-O 3.59Å; A260-R287 WeakPolarHBondContact CA-O 3.35Å; A260-I289 HydrophobicContact CB-CD1 4.37Å; A260-L326 HydrophobicContact CB-CD1 4.03Å; A260-L326 HydrophobicContact CB-CD2 4.21Å; A260-A329 HydrophobicContact CB-CB 4.05Å; A260-A329 WeakPolarHBondContact O-CA 3.2Å; A260-V330 PolarHBondContact O-N 3.1Å
261	V	98.9	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.5	175.4	-179.3	0	0	0	0	108.4	L263 L281 Y286 R287 I289 V330 I332 L542	V261-L263 HydrophobicContact CG1-CD2 3.79Å; V261-L281 HydrophobicContact CG1-CD1 4.38Å; V261-Y286 HydrophobicContact CG2-CD1 3.73Å; V261-Y286 HydrophobicContact CG2-CG 3.92Å; V261-R287 PolarHBondContact N-O 2.85Å; V261-I289 PolarHBondContact O-N 3.1Å; V261-V330 CarbonylContact C-O 3.54Å; V261-V330 HydrophobicContact CG1-CB 4.46Å; V261-V330 HydrophobicContact CG2-CB 4.14Å; V261-V330 HydrophobicContact CG2-CG2 4.39Å; V261-I332 HydrophobicContact CG1-CD1 3.57Å; V261-I332 HydrophobicContact CG1-CG1 4.01Å; V261-L542 HydrophobicContact CG2-CD1 4.46Å; V261-L542 HydrophobicContact CG2-CD2 4.13Å
262	C	98.9	Very high	97.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.5	178.3	-171.6	0	0	0	0	110	I289 M291 M317 A329 V330 F331 I332	C262-I289 CarbonylContact C-O 3.59Å; C262-I289 WeakPolarHBondContact CA-O 3.25Å; C262-M291 VanDerWaalsContact SG-CG 3.59Å; C262-M317 VanDerWaalsContact SG-CE 3.55Å; C262-A329 HydrophobicContact CB-CB 4.33Å; C262-V330 PolarHBondContact N-O 3.3Å; C262-F331 HydrophobicContact CB-CD1 3.96Å; C262-F331 HydrophobicContact CB-CE1 3.97Å; C262-F331 HydrophobicContact CB-CG 4.49Å; C262-I332 PolarHBondContact O-N 3.33Å
263	L	98.9	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	178.3	-50.3	-179.3	0	0	0	110.1	V261 W274 I278 L281 V288 I289 A290 M291 I332	V261-L263 HydrophobicContact CG1-CD2 3.79Å; L263-W274 HydrophobicContact CB-CD2 3.87Å; L263-W274 HydrophobicContact CB-CG 3.87Å; L263-W274 HydrophobicContact CD1-CB 3.71Å; L263-W274 HydrophobicContact CD1-CD2 3.91Å; L263-W274 HydrophobicContact CD1-CE3 4.05Å; L263-W274 HydrophobicContact CD1-CG 3.77Å; L263-W274 HydrophobicContact CD2-CE3 4.45Å; L263-W274 HydrophobicContact CG-CD2 4.35Å; L263-W274 HydrophobicContact CG-CG 4.44Å; L263-I278 HydrophobicContact CD1-CG1 4.21Å; L263-L281 HydrophobicContact CD1-CD1 4.37Å; L263-L281 HydrophobicContact CD2-CD1 4.07Å; L263-V288 HydrophobicContact CD1-CG1 3.57Å; L263-V288 HydrophobicContact CG-CG1 3.98Å; L263-I289 PolarHBondContact N-O 3.48Å; L263-A290 HydrophobicContact CB-CB 4.43Å; L263-A290 HydrophobicContact CD1-CB 4.35Å; L263-M291 WeakPolarHBondContact O-CB 3.35Å; L263-M291 WeakPolarHBondContact O-CG 3.35Å; L263-M291 PolarHBondContact O-N 3.32Å; L263-I332 WeakPolarHBondContact CA-O 3.35Å; L263-I332 HydrophobicContact CD2-CB 3.81Å; L263-I332 HydrophobicContact CD2-CD1 4.02Å; L263-I332 HydrophobicContact CD2-CG1 4.23Å; L263-I332 HydrophobicContact CD2-CG2 4.38Å
264	C	98.9	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	109.9	-177.5	-61	0	0	0	0	109.7	M293 I332 G333 H334 V341	C264-M293 HydrophobicContact CB-CE 4.12Å; C264-M293 HydrophobicContact CB-SD 3.76Å; C264-I332 PolarHBondContact N-O 2.93Å; C264-G333 WeakPolarHBondContact O-CA 3.29Å; C264-H334 PolarHBondContact O-N 3.5Å; C264-V341 HydrophobicContact CB-CG1 4.23Å
265	H	98.9	Very high	97.9	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.009	11%	0.114	C	C	.	.			trans	-75.5	171.4	176.6	71.1	75.9	0	0	0	112.2	E269 S270 W271 M291 M293 Y296 H334 G337	H265-E269 HydrophobicContact CB-CB 3.94Å; H265-S270 PolarHBondContact CD2-O 3.18Å; H265-W271 PolarHBondContact CD2-N 3.39Å; H265-M291 PolarHBondContact CD2-O 3.12Å; H265-M293 PolarHBondContact NE2-N 3Å; H265-Y296 AromaticContact CE1-CD1 3.63Å; H265-Y296 AromaticContact CE1-CD2 3.65Å; H265-Y296 AromaticContact CE1-CE1 3.95Å; H265-Y296 AromaticContact CE1-CE2 3.98Å; H265-Y296 AromaticContact CE1-CG 3.45Å; H265-Y296 VanDerWaalsContact CE1-CG 3.45Å; H265-Y296 AromaticContact NE2-CG 3.99Å; H265-H334 CarbonylContact C-O 3.57Å; H265-G337 WeakPolarHBondContact O-CA 3.42Å; H265-G337 PolarHBondContact O-N 3.41Å
266	G	98.8	Very high	97.9	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.01	10%	0.102	C	C	.	.			trans	-107.3	-147.5	175.9	0	0	0	0	0	114.5	E269 H334 D335	G266-E269 VanDerWaalsContact CA-OE1 3.23Å; G266-E269 WeakPolarHBondContact CA-OE1 3.33Å; G266-E269 PolarHBondContact N-OE1 3.35Å; G266-E269 WeakPolarHBondContact O-CB 3.26Å; G266-E269 PolarHBondContact O-N 3.29Å; G266-H334 WeakPolarHBondContact CA-O 3.37Å; G266-H334 PolarHBondContact N-O 3.06Å; G266-D335 WeakPolarHBondContact CA-OD2 3.37Å
267	F	98.8	Very high	98.1	Very high	11 Å²	11	11.6 Å²	11.6	5%	0.048	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	138.9	-174.8	174.7	-85	0	0	0	113.3	Y296 D335 F387 L397 F459 P462 L463 Y466	F267-Y296 WeakPolarHBondContact CD2-OH 3.44Å; F267-D335 PolarHBondContact N-OD2 2.83Å; F267-F387 HydrophobicContact CD1-CE2 4.24Å; F267-F387 HydrophobicContact CE1-CD2 4.46Å; F267-F387 AromaticContact CE1-CE2 3.49Å; F267-F387 HydrophobicContact CE1-CE2 3.49Å; F267-F387 VanDerWaalsContact CE1-CE2 3.49Å; F267-F387 AromaticContact CE1-CZ 3.74Å; F267-F387 HydrophobicContact CE1-CZ 3.74Å; F267-F387 AromaticContact CZ-CE2 3.91Å; F267-F387 HydrophobicContact CZ-CE2 3.91Å; F267-F387 HydrophobicContact CZ-CZ 4.08Å; F267-L397 HydrophobicContact CZ-CD1 4.13Å; F267-F459 HydrophobicContact CE2-CD1 4.3Å; F267-F459 HydrophobicContact CZ-CD1 4.21Å; F267-P462 HydrophobicContact CD2-CB 3.66Å; F267-P462 HydrophobicContact CE2-CB 3.59Å; F267-L463 HydrophobicContact CE2-CD2 3.92Å; F267-L463 HydrophobicContact CE2-CG 3.98Å; F267-L463 HydrophobicContact CZ-CD2 3.64Å; F267-L463 HydrophobicContact CZ-CG 4.11Å; F267-Y466 HydrophobicContact CB-CE2 3.93Å; F267-Y466 AromaticContact CD1-CE2 3.62Å; F267-Y466 HydrophobicContact CD1-CE2 3.62Å; F267-Y466 AromaticContact CD1-CZ 3.96Å; F267-Y466 WeakPolarHBondContact CD1-OH 3.36Å; F267-Y466 HydrophobicContact CD2-CD2 4.45Å; F267-Y466 AromaticContact CD2-CE2 3.75Å; F267-Y466 HydrophobicContact CD2-CE2 3.75Å; F267-Y466 HydrophobicContact CE1-CE2 4.03Å; F267-Y466 HydrophobicContact CE2-CE2 4.14Å; F267-Y466 AromaticContact CG-CE2 3.5Å; F267-Y466 HydrophobicContact CG-CE2 3.5Å; F267-Y466 VanDerWaalsContact CG-CE2 3.5Å; F267-Y466 HydrophobicContact CZ-CE2 4.28Å
268	P	98.1	Very high	98.4	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95	100.7	-19.8	32	-22.9	0	0	0	109.9	F405 L408 F454 F459	P268-F405 HydrophobicContact CG-CE1 4.45Å; P268-L408 HydrophobicContact CG-CD1 3.45Å; P268-L408 VanDerWaalsContact CG-CD1 3.45Å; P268-F454 HydrophobicContact CB-CE1 3.83Å; P268-F454 HydrophobicContact CB-CZ 3.8Å; P268-F459 HydrophobicContact CB-CD1 4.12Å; P268-F459 HydrophobicContact CB-CE1 3.49Å; P268-F459 VanDerWaalsContact CB-CE1 3.49Å; P268-F459 HydrophobicContact CB-CZ 4.4Å; P268-F459 HydrophobicContact CG-CE1 3.75Å
269	E	98.7	Very high	98.4	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.			trans	-123.7	-158.5	-168.7	-65	-173.5	-86.1	0	0	113.4	H265 G266 S273 Y296 H334 F409 F454 W525	H265-E269 HydrophobicContact CB-CB 3.94Å; G266-E269 VanDerWaalsContact CA-OE1 3.23Å; G266-E269 WeakPolarHBondContact CA-OE1 3.33Å; G266-E269 PolarHBondContact N-OE1 3.35Å; G266-E269 WeakPolarHBondContact O-CB 3.26Å; G266-E269 PolarHBondContact O-N 3.29Å; E269-S273 WeakPolarHBondContact CB-OG 3.37Å; E269-S273 WeakPolarHBondContact OE2-CB 3.42Å; E269-S273 PolarHBondContact OE2-OG 3.36Å; E269-Y296 VanDerWaalsContact O-CD1 3.3Å; E269-Y296 WeakPolarHBondContact O-CD1 3.34Å; E269-H334 IonicContact OE1-CE1 3.84Å; E269-H334 PolarHBondContact OE1-CE1 3.03Å; E269-H334 IonicContact OE1-ND1 2.72Å; E269-H334 PolarHBondContact OE1-ND1 3.36Å; E269-H334 IonicContact OE2-ND1 2.74Å; E269-F409 HydrophobicContact CG-CE1 4.43Å; E269-F454 VanDerWaalsContact O-CE2 3.29Å; E269-F454 WeakPolarHBondContact O-CE2 3.32Å; E269-F454 WeakPolarHBondContact O-CZ 3.35Å; E269-W525 HydrophobicContact CG-CE3 4.32Å; E269-W525 HydrophobicContact CG-CZ3 3.74Å
270	S	98.8	Very high	98.4	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.			trans	-157	170.9	176.5	176	0	0	0	0	109.5	H265 Y272 S273 D292	H265-S270 PolarHBondContact CD2-O 3.18Å; S270-Y272 PolarHBondContact O-N 2.87Å; S270-S273 WeakPolarHBondContact O-CB 3.43Å; S270-S273 PolarHBondContact O-N 3.17Å; S270-D292 PolarHBondContact OG-OD1 3.09Å
271	W	98.8	Very high	98.4	Very high	1 Å²	1	3.9 Å²	3.9	0%	0.004	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-46.1	-32.7	165.6	76.3	-97.1	0	0	0	112.2	C232 P234 M237 H251 V253 H265 S273 W274 I278 A290 M291 D292 F449	C232-W271 HydrophobicContact CB-CZ3 4.28Å; P234-W271 HydrophobicContact CB-CH2 4.29Å; P234-W271 HydrophobicContact CB-CZ2 3.98Å; P234-W271 HydrophobicContact CG-CH2 4.29Å; P234-W271 HydrophobicContact CG-CZ2 4.18Å; M237-W271 HydrophobicContact CG-CH2 3.97Å; M237-W271 HydrophobicContact CG-CZ3 4.37Å; H251-W271 AromaticContact CE1-CD1 3.69Å; H251-W271 AromaticContact CE1-NE1 3.81Å; V253-W271 HydrophobicContact CB-CD2 3.98Å; V253-W271 HydrophobicContact CB-CE3 3.73Å; V253-W271 HydrophobicContact CB-CZ3 4.04Å; V253-W271 HydrophobicContact CG1-CE3 4.05Å; V253-W271 HydrophobicContact CG1-CH2 4.45Å; V253-W271 HydrophobicContact CG1-CZ3 3.9Å; V253-W271 HydrophobicContact CG2-CD2 3.54Å; V253-W271 HydrophobicContact CG2-CE3 3.67Å; V253-W271 HydrophobicContact CG2-CG 4.16Å; V253-W271 HydrophobicContact CG2-CH2 3.89Å; V253-W271 HydrophobicContact CG2-CZ2 3.76Å; V253-W271 HydrophobicContact CG2-CZ3 3.85Å; H265-W271 PolarHBondContact CD2-N 3.39Å; W271-S273 PolarHBondContact O-N 2.64Å; W271-W274 WeakPolarHBondContact O-CB 3.3Å; W271-W274 PolarHBondContact O-N 3.34Å; W271-I278 HydrophobicContact CE3-CD1 3.71Å; W271-I278 HydrophobicContact CZ3-CD1 3.78Å; W271-A290 HydrophobicContact CB-CB 4.16Å; W271-A290 WeakPolarHBondContact CB-O 3.29Å; W271-M291 VanDerWaalsContact CA-O 3.31Å; W271-M291 WeakPolarHBondContact CA-O 3.48Å; W271-M291 WeakPolarHBondContact CB-O 3.27Å; W271-M291 PolarHBondContact N-O 3.37Å; W271-D292 VanDerWaalsContact CD1-OD1 3.29Å; W271-D292 PolarHBondContact N-OD1 3Å; W271-D292 VanDerWaalsContact N-OD1 3.13Å; W271-F449 AromaticContact CE2-CZ 3.97Å; W271-F449 HydrophobicContact CZ2-CE2 4.3Å; W271-F449 HydrophobicContact CZ2-CZ 4.04Å; W271-F449 AromaticContact NE1-CZ 3.69Å
272	Y	98.7	Very high	98.2	Very high	17 Å²	17	4.6 Å²	4.6	7%	0.067	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-68.8	-13.7	-178.7	-165	-113.9	0	0	0	114.9	C232 P234 S270 W274 R275 E446 F449 Y450	C232-Y272 WeakPolarHBondContact O-CE2 3.31Å; P234-Y272 HydrophobicContact CG-CD2 4.07Å; P234-Y272 HydrophobicContact CG-CE2 3.75Å; S270-Y272 PolarHBondContact O-N 2.87Å; Y272-W274 PolarHBondContact O-N 3.21Å; Y272-R275 HydrophobicContact CD2-CB 3.95Å; Y272-R275 HydrophobicContact CE2-CB 3.89Å; Y272-R275 HydrophobicContact CE2-CG 4.5Å; Y272-R275 HydrophobicContact CG-CB 4.46Å; Y272-R275 VanDerWaalsContact O-CB 3.24Å; Y272-R275 WeakPolarHBondContact O-CB 3.43Å; Y272-R275 WeakPolarHBondContact O-CD 3.44Å; Y272-R275 VanDerWaalsContact O-CG 3.27Å; Y272-R275 WeakPolarHBondContact O-CG 3.06Å; Y272-R275 PolarHBondContact O-N 3.35Å; Y272-R275 VanDerWaalsContact O-N 3.15Å; Y272-R275 PolarHBondContact O-NH1 3.45Å; Y272-E446 HydrophobicContact CE1-CB 4.14Å; Y272-E446 HydrophobicContact CE1-CG 3.98Å; Y272-F449 HydrophobicContact CD1-CB 4.43Å; Y272-F449 AromaticContact CD1-CD1 3.41Å; Y272-F449 HydrophobicContact CD1-CD1 3.41Å; Y272-F449 VanDerWaalsContact CD1-CD1 3.41Å; Y272-F449 AromaticContact CD1-CE1 3.82Å; Y272-F449 HydrophobicContact CD1-CE1 3.82Å; Y272-F449 AromaticContact CD1-CG 3.93Å; Y272-F449 HydrophobicContact CD1-CG 3.93Å; Y272-F449 HydrophobicContact CD2-CD1 4.48Å; Y272-F449 HydrophobicContact CD2-CE1 4.31Å; Y272-F449 HydrophobicContact CD2-CZ 4.34Å; Y272-F449 HydrophobicContact CE1-CB 4.34Å; Y272-F449 HydrophobicContact CE1-CD1 4.13Å; Y272-F449 HydrophobicContact CE1-CG 4.21Å; Y272-F449 AromaticContact CG-CD1 3.63Å; Y272-F449 HydrophobicContact CG-CD1 3.63Å; Y272-F449 AromaticContact CG-CE1 3.52Å; Y272-F449 HydrophobicContact CG-CE1 3.52Å; Y272-F449 HydrophobicContact CG-CG 4.22Å; Y272-F449 AromaticContact CG-CZ 3.98Å; Y272-F449 HydrophobicContact CG-CZ 3.98Å; Y272-Y450 AromaticContact CD1-CE2 3.91Å; Y272-Y450 HydrophobicContact CD1-CE2 3.91Å
273	S	98.8	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-62.5	-23.2	167.8	-71.2	0	0	0	0	112.2	E269 S270 W271 Y450 Q527	E269-S273 WeakPolarHBondContact CB-OG 3.37Å; E269-S273 WeakPolarHBondContact OE2-CB 3.42Å; E269-S273 PolarHBondContact OE2-OG 3.36Å; S270-S273 WeakPolarHBondContact O-CB 3.43Å; S270-S273 PolarHBondContact O-N 3.17Å; W271-S273 PolarHBondContact O-N 2.64Å; S273-Y450 VanDerWaalsContact CA-OH 3.3Å; S273-Y450 WeakPolarHBondContact CA-OH 3.33Å; S273-Y450 PolarHBondContact N-OH 3.47Å; S273-Y450 PolarHBondContact OG-OH 3.37Å; S273-Q527 VanDerWaalsContact O-CB 3.23Å; S273-Q527 WeakPolarHBondContact O-CB 3.46Å
274	W	98.9	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-91.4	12.2	176.9	-60.1	101	0	0	0	114	L263 W271 Y272 Y276 Q277 I278 I332 H334 L358 Q527	L263-W274 HydrophobicContact CB-CD2 3.87Å; L263-W274 HydrophobicContact CB-CG 3.87Å; L263-W274 HydrophobicContact CD1-CB 3.71Å; L263-W274 HydrophobicContact CD1-CD2 3.91Å; L263-W274 HydrophobicContact CD1-CE3 4.05Å; L263-W274 HydrophobicContact CD1-CG 3.77Å; L263-W274 HydrophobicContact CD2-CE3 4.45Å; L263-W274 HydrophobicContact CG-CD2 4.35Å; L263-W274 HydrophobicContact CG-CG 4.44Å; W271-W274 WeakPolarHBondContact O-CB 3.3Å; W271-W274 PolarHBondContact O-N 3.34Å; Y272-W274 PolarHBondContact O-N 3.21Å; W274-Y276 PolarHBondContact O-N 3.48Å; W274-Q277 HydrophobicContact CE3-CB 4.02Å; W274-Q277 HydrophobicContact CE3-CG 3.81Å; W274-Q277 HydrophobicContact CZ3-CG 4.24Å; W274-Q277 PolarHBondContact O-N 3.32Å; W274-Q277 PolarHBondContact O-OE1 2.92Å; W274-I278 HydrophobicContact CB-CD1 4.22Å; W274-I278 HydrophobicContact CB-CG1 4.14Å; W274-I278 WeakPolarHBondContact O-CG1 3.31Å; W274-I278 PolarHBondContact O-N 2.99Å; W274-I332 HydrophobicContact CH2-CG2 3.99Å; W274-I332 HydrophobicContact CZ3-CG2 4.35Å; W274-H334 HydrophobicContact CH2-CB 4.14Å; W274-H334 HydrophobicContact CZ2-CB 3.91Å; W274-L358 HydrophobicContact CH2-CD1 3.57Å; W274-L358 HydrophobicContact CH2-CG 4.2Å; W274-L358 HydrophobicContact CZ3-CD1 3.73Å; W274-Q527 HydrophobicContact CD2-CG 4.05Å; W274-Q527 HydrophobicContact CE3-CB 4.48Å; W274-Q527 HydrophobicContact CE3-CG 3.61Å; W274-Q527 HydrophobicContact CH2-CG 3.84Å; W274-Q527 HydrophobicContact CZ2-CG 4.24Å; W274-Q527 HydrophobicContact CZ3-CG 3.5Å; W274-Q527 VanDerWaalsContact CZ3-CG 3.5Å
275	R	98.6	Very high	97.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.8	-173	64.9	-166.9	-178.7	-85.4	4.4	115.1	C231 C232 Y272 E446 Y450	C231-R275 CarbonylContact C-O 3.59Å; C231-R275 WeakPolarHBondContact CA-O 3.45Å; C231-R275 WeakPolarHBondContact SG-CD 3.37Å; C231-R275 VanDerWaalsContact SG-CG 3.52Å; C232-R275 HydrophobicContact CB-CB 4.24Å; C232-R275 PolarHBondContact N-O 3.2Å; C232-R275 VanDerWaalsContact N-O 3.13Å; C232-R275 PolarHBondContact SG-O 3.04Å; Y272-R275 HydrophobicContact CD2-CB 3.95Å; Y272-R275 HydrophobicContact CE2-CB 3.89Å; Y272-R275 HydrophobicContact CE2-CG 4.5Å; Y272-R275 HydrophobicContact CG-CB 4.46Å; Y272-R275 VanDerWaalsContact O-CB 3.24Å; Y272-R275 WeakPolarHBondContact O-CB 3.43Å; Y272-R275 WeakPolarHBondContact O-CD 3.44Å; Y272-R275 VanDerWaalsContact O-CG 3.27Å; Y272-R275 WeakPolarHBondContact O-CG 3.06Å; Y272-R275 PolarHBondContact O-N 3.35Å; Y272-R275 VanDerWaalsContact O-N 3.15Å; Y272-R275 PolarHBondContact O-NH1 3.45Å; R275-E446 IonicContact CZ-OE1 3.61Å; R275-E446 IonicContact CZ-OE2 3.76Å; R275-E446 VanDerWaalsContact NE-CD 3.31Å; R275-E446 IonicContact NE-OE1 3.76Å; R275-E446 PolarHBondContact NE-OE1 2.92Å; R275-E446 IonicContact NE-OE2 3.94Å; R275-E446 VanDerWaalsContact NH2-CD 3.34Å; R275-E446 IonicContact NH2-OE1 2.77Å; R275-E446 PolarHBondContact NH2-OE1 3.47Å; R275-E446 IonicContact NH2-OE2 3.53Å; R275-E446 PolarHBondContact NH2-OE2 2.94Å; R275-Y450 PolarHBondContact NH1-OH 3.48Å
276	Y	98.4	Very high	97.2	Very high	17 Å²	17	10.8 Å²	10.8	7%	0.067	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-17.1	176.5	-66.6	-62.8	0	0	0	113.9	L228 P229 C231 W274 P531 N535	L228-Y276 HydrophobicContact CB-CE1 4.15Å; L228-Y276 HydrophobicContact CD1-CE1 4.46Å; P229-Y276 HydrophobicContact CB-CD1 4.29Å; P229-Y276 WeakPolarHBondContact O-CD1 3.17Å; P229-Y276 WeakPolarHBondContact O-CE1 3.4Å; C231-Y276 HydrophobicContact CB-CD1 4.09Å; C231-Y276 HydrophobicContact CB-CE1 3.67Å; W274-Y276 PolarHBondContact O-N 3.48Å; Y276-P531 HydrophobicContact CD2-CB 3.88Å; Y276-P531 HydrophobicContact CD2-CG 4.22Å; Y276-P531 HydrophobicContact CG-CB 3.76Å; Y276-P531 HydrophobicContact CG-CG 4.32Å; Y276-N535 PolarHBondContact O-ND2 3.5Å; Y276-N535 PolarHBondContact O-OD1 3.38Å
277	Q	98.8	Very high	97.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-93.9	-36.2	-178.4	-68.9	63.5	41.9	0	0	111.3	W274 S279 A280 L281 Q527 V534 N535	W274-Q277 HydrophobicContact CE3-CB 4.02Å; W274-Q277 HydrophobicContact CE3-CG 3.81Å; W274-Q277 HydrophobicContact CZ3-CG 4.24Å; W274-Q277 PolarHBondContact O-N 3.32Å; W274-Q277 PolarHBondContact O-OE1 2.92Å; Q277-S279 PolarHBondContact O-N 2.97Å; Q277-A280 PolarHBondContact O-N 3.3Å; Q277-L281 HydrophobicContact CB-CD1 4.32Å; Q277-L281 WeakPolarHBondContact O-CB 3.26Å; Q277-L281 VanDerWaalsContact O-CG 3.25Å; Q277-L281 WeakPolarHBondContact O-CG 3.43Å; Q277-L281 PolarHBondContact O-N 3.37Å; Q277-Q527 PolarHBondContact NE2-O 3.4Å; Q277-V534 HydrophobicContact CG-CG1 3.86Å; Q277-N535 WeakPolarHBondContact CA-OD1 3.36Å; Q277-N535 VanDerWaalsContact CG-OD1 3.25Å; Q277-N535 WeakPolarHBondContact CG-OD1 3.4Å
278	I	98.6	Very high	97.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-55.2	-53.7	-175.3	-66.6	159.6	0	0	0	111.6	M237 V253 L255 L263 W271 W274 A282 V288 A290	M237-I278 HydrophobicContact CE-CG2 3.76Å; V253-I278 HydrophobicContact CG1-CD1 4.46Å; L255-I278 HydrophobicContact CB-CG2 3.72Å; L255-I278 HydrophobicContact CD2-CG2 3.89Å; L255-I278 HydrophobicContact CG-CG2 4.46Å; L263-I278 HydrophobicContact CD1-CG1 4.21Å; W271-I278 HydrophobicContact CE3-CD1 3.71Å; W271-I278 HydrophobicContact CZ3-CD1 3.78Å; W274-I278 HydrophobicContact CB-CD1 4.22Å; W274-I278 HydrophobicContact CB-CG1 4.14Å; W274-I278 WeakPolarHBondContact O-CG1 3.31Å; W274-I278 PolarHBondContact O-N 2.99Å; I278-A282 VanDerWaalsContact O-CB 3.26Å; I278-A282 WeakPolarHBondContact O-CB 3.47Å; I278-A282 PolarHBondContact O-N 3.41Å; I278-V288 HydrophobicContact CB-CG1 4.42Å; I278-V288 HydrophobicContact CG1-CG1 4.12Å; I278-V288 HydrophobicContact CG2-CG1 4.35Å; I278-A290 HydrophobicContact CD1-CB 3.64Å; I278-A290 HydrophobicContact CG1-CB 3.9Å
279	S	94.9	Very high	97.2	Very high	16 Å²	16	13.3 Å²	13.3	11%	0.112	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-43.6	178.7	-60.3	0	0	0	0	112.4	Q277 A282 Q283	Q277-S279 PolarHBondContact O-N 2.97Å; S279-A282 PolarHBondContact O-N 3.4Å; S279-Q283 WeakPolarHBondContact O-CB 3.48Å; S279-Q283 WeakPolarHBondContact O-CG 3.32Å; S279-Q283 PolarHBondContact O-N 3.33Å
280	A	96	Very high	97.3	Very high	15 Å²	15	13.3 Å²	13.3	12%	0.124	7%	0.074	C	C	.	.	H	α-helix	trans	-66.2	-43	-177.6	0	0	0	0	0	112.4	Q277 Q283 A284 N535 I539	Q277-A280 PolarHBondContact O-N 3.3Å; A280-Q283 PolarHBondContact O-N 2.89Å; A280-A284 WeakPolarHBondContact O-CB 3.22Å; A280-A284 PolarHBondContact O-N 3.01Å; A280-N535 HydrophobicContact CB-CB 4.18Å; A280-N535 VanDerWaalsContact CB-ND2 3.28Å; A280-N535 WeakPolarHBondContact CB-ND2 3.38Å; A280-I539 HydrophobicContact CB-CD1 4.35Å
281	L	98	Very high	97.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.5	-38.3	177.4	-65.4	-178.2	0	0	0	111.6	V261 L263 Q277 A284 G285 Y286 V288 L538 I539 L542	V261-L281 HydrophobicContact CG1-CD1 4.38Å; L263-L281 HydrophobicContact CD1-CD1 4.37Å; L263-L281 HydrophobicContact CD2-CD1 4.07Å; Q277-L281 HydrophobicContact CB-CD1 4.32Å; Q277-L281 WeakPolarHBondContact O-CB 3.26Å; Q277-L281 VanDerWaalsContact O-CG 3.25Å; Q277-L281 WeakPolarHBondContact O-CG 3.43Å; Q277-L281 PolarHBondContact O-N 3.37Å; L281-A284 PolarHBondContact O-N 2.6Å; L281-G285 PolarHBondContact O-N 3.45Å; L281-Y286 WeakPolarHBondContact O-CD2 3.39Å; L281-Y286 PolarHBondContact O-N 3.01Å; L281-V288 HydrophobicContact CB-CG2 3.52Å; L281-L538 HydrophobicContact CD2-CB 4.25Å; L281-I539 HydrophobicContact CD2-CG1 3.73Å; L281-L542 HydrophobicContact CD2-CD1 3.6Å
282	A	95.8	Very high	97.3	Very high	15 Å²	15	13.3 Å²	13.3	12%	0.124	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-44.4	173.8	0	0	0	0	0	111.7	L255 I278 S279 A284 G285 Y286 V288	L255-A282 HydrophobicContact CB-CB 4.18Å; L255-A282 HydrophobicContact CD2-CB 3.72Å; L255-A282 HydrophobicContact CG-CB 3.7Å; I278-A282 VanDerWaalsContact O-CB 3.26Å; I278-A282 WeakPolarHBondContact O-CB 3.47Å; I278-A282 PolarHBondContact O-N 3.41Å; S279-A282 PolarHBondContact O-N 3.4Å; A282-A284 VanDerWaalsContact C-N 3.28Å; A282-A284 PolarHBondContact O-N 3.39Å; A282-G285 PolarHBondContact O-N 2.87Å; A282-Y286 WeakPolarHBondContact CA-O 3.45Å; A282-V288 HydrophobicContact CB-CG2 4.28Å
283	Q	91.4	Very high	97.3	Very high	93 Å²	93	12.8 Å²	12.8	44%	0.435	7%	0.072	S	C	.	.	H	α-helix	trans	-64.1	-31.2	175	-73	169.4	8.7	0	0	112.6	S279 A280 G285	S279-Q283 WeakPolarHBondContact O-CB 3.48Å; S279-Q283 WeakPolarHBondContact O-CG 3.32Å; S279-Q283 PolarHBondContact O-N 3.33Å; A280-Q283 PolarHBondContact O-N 2.89Å; Q283-G285 PolarHBondContact O-N 3.35Å
284	A	92.8	Very high	97.3	Very high	18 Å²	18	12.9 Å²	12.9	15%	0.149	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	2.2	171.8	0	0	0	0	0	113.7	A280 L281 A282 Y286 I539 R547	A280-A284 WeakPolarHBondContact O-CB 3.22Å; A280-A284 PolarHBondContact O-N 3.01Å; L281-A284 PolarHBondContact O-N 2.6Å; A282-A284 VanDerWaalsContact C-N 3.28Å; A282-A284 PolarHBondContact O-N 3.39Å; A284-Y286 HydrophobicContact CB-CD2 3.92Å; A284-Y286 HydrophobicContact CB-CE2 3.95Å; A284-Y286 WeakPolarHBondContact O-CE2 3.09Å; A284-I539 HydrophobicContact CB-CD1 4.13Å; A284-I539 HydrophobicContact CB-CG1 3.93Å; A284-I539 HydrophobicContact CB-CG2 3.92Å; A284-R547 PolarHBondContact O-NH2 3.45Å; A284-R547 VanDerWaalsContact O-NH2 3.1Å
285	G	93.3	Very high	97.3	Very high	21 Å²	21	12.9 Å²	12.9	22%	0.216	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	42.7	175.3	0	0	0	0	0	113.2	S257 L281 A282 Q283 R547	S257-G285 CarbonylContact O-C 3.52Å; L281-G285 PolarHBondContact O-N 3.45Å; A282-G285 PolarHBondContact O-N 2.87Å; Q283-G285 PolarHBondContact O-N 3.35Å; G285-R547 PolarHBondContact O-NH2 2.82Å
286	Y	97	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.			trans	-117.6	151.5	170.3	-62.1	-82.4	0	0	0	111.1	S257 P259 V261 L281 A282 A284 V288 L542 E543 R547	S257-Y286 PolarHBondContact N-O 3.15Å; S257-Y286 CarbonylContact O-C 3.56Å; S257-Y286 WeakPolarHBondContact O-CA 3.38Å; S257-Y286 PolarHBondContact O-N 3.41Å; P259-Y286 HydrophobicContact CB-CD1 4.14Å; P259-Y286 HydrophobicContact CB-CE1 4.42Å; P259-Y286 HydrophobicContact CG-CD1 4.33Å; P259-Y286 HydrophobicContact CG-CE1 4.33Å; V261-Y286 HydrophobicContact CG2-CD1 3.73Å; V261-Y286 HydrophobicContact CG2-CG 3.92Å; L281-Y286 WeakPolarHBondContact O-CD2 3.39Å; L281-Y286 PolarHBondContact O-N 3.01Å; A282-Y286 WeakPolarHBondContact CA-O 3.45Å; A284-Y286 HydrophobicContact CB-CD2 3.92Å; A284-Y286 HydrophobicContact CB-CE2 3.95Å; A284-Y286 WeakPolarHBondContact O-CE2 3.09Å; Y286-V288 PolarHBondContact O-N 3.5Å; Y286-L542 HydrophobicContact CD2-CD1 4.17Å; Y286-L542 HydrophobicContact CE1-CB 3.97Å; Y286-L542 HydrophobicContact CE1-CD2 4.44Å; Y286-L542 HydrophobicContact CE2-CB 3.85Å; Y286-L542 HydrophobicContact CE2-CD1 4.08Å; Y286-L542 HydrophobicContact CG-CD1 4.49Å; Y286-L542 VanDerWaalsContact CZ-CB 3.46Å; Y286-L542 WeakPolarHBondContact OH-CB 3.47Å; Y286-L542 PolarHBondContact OH-O 3.49Å; Y286-E543 WeakPolarHBondContact OH-CA 3.29Å; Y286-E543 PolarHBondContact OH-N 2.95Å; Y286-E543 VanDerWaalsContact OH-N 3.16Å; Y286-R547 HydrophobicContact CE1-CG 4.24Å
287	R	98.1	Very high	97.3	Very high	66 Å²	66	12.5 Å²	12.5	25%	0.249	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	100.9	169.2	178.1	-174.7	176.2	-174.2	-0.3	107.8	E254 G258 P259 A260 V261	E254-R287 IonicContact OE1-CZ 3.86Å; E254-R287 IonicContact OE1-NE 2.95Å; E254-R287 PolarHBondContact OE1-NE 3.23Å; E254-R287 IonicContact OE1-NH2 2.82Å; E254-R287 PolarHBondContact OE1-NH2 3.4Å; E254-R287 IonicContact OE2-NH2 3.27Å; G258-R287 WeakPolarHBondContact O-CB 3.46Å; P259-R287 PolarHBondContact O-N 2.91Å; A260-R287 CarbonylContact C-O 3.59Å; A260-R287 WeakPolarHBondContact CA-O 3.35Å; V261-R287 PolarHBondContact N-O 2.85Å
288	V	98.8	Very high	97.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132	-176.1	-173	0	0	0	0	110.1	E254 L255 L263 I278 L281 A282 Y286	E254-V288 VanDerWaalsContact CA-O 3.32Å; E254-V288 WeakPolarHBondContact CA-O 3.44Å; L255-V288 PolarHBondContact N-O 3Å; L255-V288 VanDerWaalsContact N-O 3.12Å; L255-V288 PolarHBondContact O-N 3.45Å; L263-V288 HydrophobicContact CD1-CG1 3.57Å; L263-V288 HydrophobicContact CG-CG1 3.98Å; I278-V288 HydrophobicContact CB-CG1 4.42Å; I278-V288 HydrophobicContact CG1-CG1 4.12Å; I278-V288 HydrophobicContact CG2-CG1 4.35Å; L281-V288 HydrophobicContact CB-CG2 3.52Å; A282-V288 HydrophobicContact CB-CG2 4.28Å; Y286-V288 PolarHBondContact O-N 3.5Å
289	I	98.9	Very high	97.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	96.1	176.7	-60.1	175.6	0	0	0	106.7	F252 V253 A260 V261 C262 L263 M291 F320 L324 L326	F252-I289 HydrophobicContact CB-CG2 3.94Å; F252-I289 HydrophobicContact CD2-CB 4.45Å; F252-I289 HydrophobicContact CD2-CG2 3.57Å; F252-I289 HydrophobicContact CE2-CG2 4.22Å; F252-I289 HydrophobicContact CG-CG2 3.86Å; V253-I289 CarbonylContact O-C 3.59Å; V253-I289 WeakPolarHBondContact O-CA 3.32Å; A260-I289 HydrophobicContact CB-CD1 4.37Å; V261-I289 PolarHBondContact O-N 3.1Å; C262-I289 CarbonylContact C-O 3.59Å; C262-I289 WeakPolarHBondContact CA-O 3.25Å; L263-I289 PolarHBondContact N-O 3.48Å; I289-M291 HydrophobicContact CG2-SD 3.7Å; I289-F320 HydrophobicContact CG2-CE1 3.93Å; I289-F320 HydrophobicContact CG2-CZ 3.8Å; I289-L324 HydrophobicContact CD1-CD1 4.2Å; I289-L326 HydrophobicContact CD1-CD1 3.69Å
290	A	98.9	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.2	179.2	0	0	0	0	0	110.2	F252 V253 L263 W271 I278	F252-A290 CarbonylContact C-O 3.47Å; F252-A290 WeakPolarHBondContact CA-O 3.17Å; F252-A290 WeakPolarHBondContact CB-O 3.29Å; V253-A290 PolarHBondContact N-O 3.21Å; V253-A290 PolarHBondContact O-N 3Å; L263-A290 HydrophobicContact CB-CB 4.43Å; L263-A290 HydrophobicContact CD1-CB 4.35Å; W271-A290 HydrophobicContact CB-CB 4.16Å; W271-A290 WeakPolarHBondContact CB-O 3.29Å; I278-A290 HydrophobicContact CD1-CB 3.64Å; I278-A290 HydrophobicContact CG1-CB 3.9Å
291	M	98.9	Very high	97.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	141.9	-172.3	-58.2	-60.5	-62.3	0	0	111.4	L250 F252 C262 L263 H265 W271 I289 M293 M317 F320	L250-M291 HydrophobicContact CB-CE 4.01Å; L250-M291 HydrophobicContact CD1-CE 4.06Å; F252-M291 HydrophobicContact CB-CE 4.44Å; F252-M291 HydrophobicContact CB-SD 3.73Å; C262-M291 VanDerWaalsContact SG-CG 3.59Å; L263-M291 WeakPolarHBondContact O-CB 3.35Å; L263-M291 WeakPolarHBondContact O-CG 3.35Å; L263-M291 PolarHBondContact O-N 3.32Å; H265-M291 PolarHBondContact CD2-O 3.12Å; W271-M291 VanDerWaalsContact CA-O 3.31Å; W271-M291 WeakPolarHBondContact CA-O 3.48Å; W271-M291 WeakPolarHBondContact CB-O 3.27Å; W271-M291 PolarHBondContact N-O 3.37Å; I289-M291 HydrophobicContact CG2-SD 3.7Å; M291-M293 HydrophobicContact CB-SD 3.57Å; M291-M293 VanDerWaalsContact CB-SD 3.57Å; M291-M293 HydrophobicContact CG-SD 4.17Å; M291-M317 HydrophobicContact CE-CE 4.05Å; M291-M317 HydrophobicContact CE-SD 4.21Å; M291-M317 HydrophobicContact CG-CE 4.13Å; M291-M317 HydrophobicContact SD-CE 4.24Å; M291-F320 HydrophobicContact CE-CD1 4.31Å; M291-F320 HydrophobicContact CE-CD2 4.04Å; M291-F320 HydrophobicContact CE-CE1 4Å; M291-F320 HydrophobicContact CE-CE2 3.72Å; M291-F320 HydrophobicContact CE-CG 4.32Å; M291-F320 HydrophobicContact CE-CZ 3.69Å; M291-F320 HydrophobicContact SD-CD1 4.41Å; M291-F320 HydrophobicContact SD-CE1 3.64Å; M291-F320 HydrophobicContact SD-CE2 4.13Å; M291-F320 HydrophobicContact SD-CZ 3.47Å; M291-F320 WeakPolarHBondContact SD-CZ 3.31Å
292	D	98.9	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.			trans	-81.4	114.1	142.7	-87.4	-28.9	0	0	0	106.6	H251 S270 W271 E298 S299	H251-D292 HydrophobicContact CB-CB 4.35Å; H251-D292 IonicContact CE1-OD2 3.08Å; H251-D292 IonicContact CG-OD2 3.7Å; H251-D292 IonicContact ND1-OD2 3.68Å; H251-D292 PolarHBondContact ND1-OD2 3.23Å; H251-D292 PolarHBondContact O-N 2.97Å; S270-D292 PolarHBondContact OG-OD1 3.09Å; W271-D292 VanDerWaalsContact CD1-OD1 3.29Å; W271-D292 PolarHBondContact N-OD1 3Å; W271-D292 VanDerWaalsContact N-OD1 3.13Å; D292-E298 PolarHBondContact OD2-N 2.87Å; D292-E298 VanDerWaalsContact OD2-N 3.08Å; D292-S299 WeakPolarHBondContact O-CB 3.45Å; D292-S299 PolarHBondContact O-OG 3.34Å
293	M	98.9	Very high	97.7	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.03	11%	0.114	C	C	.	.			trans	-64.2	159.7	178.7	-59.4	-54	-67.1	0	0	110.3	C264 H265 M291 G295 Y296 M317 L340 W465	C264-M293 HydrophobicContact CB-CE 4.12Å; C264-M293 HydrophobicContact CB-SD 3.76Å; H265-M293 PolarHBondContact NE2-N 3Å; M291-M293 HydrophobicContact CB-SD 3.57Å; M291-M293 VanDerWaalsContact CB-SD 3.57Å; M291-M293 HydrophobicContact CG-SD 4.17Å; M293-G295 PolarHBondContact O-N 3.4Å; M293-Y296 HydrophobicContact CB-CD2 3.96Å; M293-Y296 HydrophobicContact CB-CE2 4.3Å; M293-Y296 WeakPolarHBondContact O-CB 3.36Å; M293-Y296 WeakPolarHBondContact O-CD2 3.43Å; M293-Y296 PolarHBondContact O-N 2.87Å; M293-M317 HydrophobicContact CE-SD 4.36Å; M293-L340 HydrophobicContact CE-CD1 3.68Å; M293-L340 HydrophobicContact CE-CD2 4.48Å; M293-W465 HydrophobicContact CB-CH2 4.2Å; M293-W465 HydrophobicContact CB-CZ2 3.9Å; M293-W465 HydrophobicContact CE-CH2 3.85Å
294	K	98.8	Very high	98.1	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.013	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	132.2	178.6	-170	-172.8	-166.3	165.5	0	110.7	L250 Y296 P302 E307 Y308 L313 E316 W465	L250-K294 HydrophobicContact CD2-CB 4.19Å; K294-Y296 VanDerWaalsContact O-CD2 3.3Å; K294-Y296 WeakPolarHBondContact O-CD2 3.42Å; K294-P302 VanDerWaalsContact CE-CG 3.49Å; K294-E307 PolarHBondContact NZ-O 3Å; K294-E307 IonicContact NZ-OE2 3.64Å; K294-E307 PolarHBondContact NZ-OE2 3.01Å; K294-Y308 HydrophobicContact CB-CE1 4.33Å; K294-Y308 HydrophobicContact CD-CD1 4.29Å; K294-Y308 HydrophobicContact CD-CE1 4.11Å; K294-Y308 HydrophobicContact CG-CD1 4.44Å; K294-Y308 HydrophobicContact CG-CE1 3.89Å; K294-Y308 WeakPolarHBondContact O-CE1 3.17Å; K294-L313 HydrophobicContact CB-CD2 3.82Å; K294-L313 HydrophobicContact CD-CD2 3.76Å; K294-L313 HydrophobicContact CG-CD2 4.45Å; K294-E316 VanDerWaalsContact CD-OE2 3.28Å; K294-E316 WeakPolarHBondContact CD-OE2 3.35Å; K294-E316 WeakPolarHBondContact CE-OE2 3.42Å; K294-E316 VanDerWaalsContact NZ-CD 3.27Å; K294-E316 IonicContact NZ-OE1 3.17Å; K294-E316 PolarHBondContact NZ-OE1 3.2Å; K294-E316 IonicContact NZ-OE2 2.68Å; K294-E316 PolarHBondContact NZ-OE2 3.08Å; K294-W465 PolarHBondContact O-NE1 3.03Å
295	G	98.7	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-11.5	-174.3	0	0	0	0	0	115.1	M293 S300 S457 P462	M293-G295 PolarHBondContact O-N 3.4Å; G295-S300 PolarHBondContact N-O 3.3Å; G295-S457 PolarHBondContact O-OG 3.12Å; G295-P462 WeakPolarHBondContact O-CD 3.3Å
296	Y	98.9	Very high	98.6	Very high	3 Å²	3	24 Å²	24	1%	0.012	13%	0.129	C	C	.	.	S	Bend	trans	-116.9	151.4	-171.8	-59.5	-98.9	0	0	0	112.6	H265 F267 E269 M293 K294 E298 S299 F454 P462 W465	H265-Y296 AromaticContact CE1-CD1 3.63Å; H265-Y296 AromaticContact CE1-CD2 3.65Å; H265-Y296 AromaticContact CE1-CE1 3.95Å; H265-Y296 AromaticContact CE1-CE2 3.98Å; H265-Y296 AromaticContact CE1-CG 3.45Å; H265-Y296 VanDerWaalsContact CE1-CG 3.45Å; H265-Y296 AromaticContact NE2-CG 3.99Å; F267-Y296 WeakPolarHBondContact CD2-OH 3.44Å; E269-Y296 VanDerWaalsContact O-CD1 3.3Å; E269-Y296 WeakPolarHBondContact O-CD1 3.34Å; M293-Y296 HydrophobicContact CB-CD2 3.96Å; M293-Y296 HydrophobicContact CB-CE2 4.3Å; M293-Y296 WeakPolarHBondContact O-CB 3.36Å; M293-Y296 WeakPolarHBondContact O-CD2 3.43Å; M293-Y296 PolarHBondContact O-N 2.87Å; K294-Y296 VanDerWaalsContact O-CD2 3.3Å; K294-Y296 WeakPolarHBondContact O-CD2 3.42Å; Y296-E298 PolarHBondContact O-N 3.45Å; Y296-E298 VanDerWaalsContact O-N 3.16Å; Y296-S299 WeakPolarHBondContact O-CB 3.3Å; Y296-S299 PolarHBondContact O-N 2.76Å; Y296-F454 HydrophobicContact CD1-CE1 4.21Å; Y296-F454 HydrophobicContact CD1-CE2 4.4Å; Y296-F454 AromaticContact CD1-CZ 3.65Å; Y296-F454 HydrophobicContact CD1-CZ 3.65Å; Y296-F454 HydrophobicContact CE1-CE1 4.34Å; Y296-F454 AromaticContact CE1-CZ 3.94Å; Y296-F454 HydrophobicContact CE1-CZ 3.94Å; Y296-P462 HydrophobicContact CD1-CB 4.32Å; Y296-P462 HydrophobicContact CD1-CG 3.76Å; Y296-P462 HydrophobicContact CD2-CG 4.43Å; Y296-P462 HydrophobicContact CE1-CB 3.54Å; Y296-P462 HydrophobicContact CE1-CG 3.49Å; Y296-P462 VanDerWaalsContact CE1-CG 3.49Å; Y296-P462 HydrophobicContact CE2-CB 4.26Å; Y296-P462 HydrophobicContact CE2-CG 4.2Å; Y296-P462 HydrophobicContact CG-CG 4.24Å; Y296-P462 WeakPolarHBondContact OH-CA 3.49Å; Y296-P462 WeakPolarHBondContact OH-CB 3.45Å; Y296-W465 AromaticContact CE2-NE1 3.55Å
297	G	98.3	Very high	98.7	Very high	5 Å²	5	25.8 Å²	25.8	5%	0.052	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-116.6	168.1	0	0	0	0	0	113.6	K456	G297-K456 WeakPolarHBondContact O-CD 3.19Å
298	E	98.6	Very high	98.7	Very high	44 Å²	44	22.7 Å²	22.7	21%	0.206	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-3	-177.9	-61.9	-172.9	-150.5	0	0	114.8	Y241 R249 H251 D292 Y296 K456	Y241-E298 HydrophobicContact CE1-CB 4.08Å; Y241-E298 WeakPolarHBondContact CE1-OE2 3.41Å; Y241-E298 PolarHBondContact OH-OE2 3.13Å; R249-E298 PolarHBondContact NE-O 2.92Å; R249-E298 PolarHBondContact NH2-O 2.91Å; H251-E298 HydrophobicContact CB-CB 3.67Å; D292-E298 PolarHBondContact OD2-N 2.87Å; D292-E298 VanDerWaalsContact OD2-N 3.08Å; Y296-E298 PolarHBondContact O-N 3.45Å; Y296-E298 VanDerWaalsContact O-N 3.16Å; E298-K456 VanDerWaalsContact CG-NZ 3.28Å; E298-K456 IonicContact OE1-NZ 3.66Å; E298-K456 PolarHBondContact OE1-NZ 3.25Å
299	S	98.9	Very high	98.7	Very high	7 Å²	7	23.3 Å²	23.3	5%	0.049	13%	0.129	C	C	.	.	S	Bend	trans	-71.5	151.4	168.1	-72.2	0	0	0	0	110.6	R249 L250 H251 D292 Y296	R249-S299 WeakPolarHBondContact O-CA 3.18Å; L250-S299 WeakPolarHBondContact CA-OG 3.34Å; H251-S299 PolarHBondContact N-OG 3.46Å; D292-S299 WeakPolarHBondContact O-CB 3.45Å; D292-S299 PolarHBondContact O-OG 3.34Å; Y296-S299 WeakPolarHBondContact O-CB 3.3Å; Y296-S299 PolarHBondContact O-N 2.76Å
300	S	98.8	Very high	98.7	Very high	25 Å²	25	23.3 Å²	23.3	18%	0.175	13%	0.129	C	C	.	.			trans	-61.5	143.9	176.9	-70.1	0	0	0	0	111.5	G247 V248 R249 G295 P302	G247-S300 PolarHBondContact O-OG 3.38Å; V248-S300 WeakPolarHBondContact CA-OG 3.44Å; R249-S300 PolarHBondContact N-OG 3.15Å; R249-S300 PolarHBondContact O-N 3.15Å; G295-S300 PolarHBondContact N-O 3.3Å; S300-P302 WeakPolarHBondContact O-CD 3.33Å
301	A	98.6	Very high	98.7	Very high	38 Å²	38	26 Å²	26	31%	0.314	14%	0.142	S	C	.	.			trans	-124.5	70.3	178.3	0	0	0	0	0	111.4	Y308	A301-Y308 WeakPolarHBondContact CA-OH 3.36Å
302	P	98.4	Very high	98.7	Very high	20 Å²	20	27.6 Å²	27.6	13%	0.13	15%	0.151	C	C	.	.			trans	-58.7	142.2	175.4	26	-34	0	0	0	111.1	V248 K294 S300 E304 E307 Y308	V248-P302 HydrophobicContact CG2-CG 4.5Å; K294-P302 VanDerWaalsContact CE-CG 3.49Å; S300-P302 WeakPolarHBondContact O-CD 3.33Å; P302-E304 WeakPolarHBondContact CB-OE2 3.49Å; P302-E304 PolarHBondContact O-N 2.92Å; P302-E307 HydrophobicContact CB-CB 4.49Å; P302-E307 HydrophobicContact CB-CG 4.2Å; P302-E307 HydrophobicContact CG-CB 3.91Å; P302-E307 HydrophobicContact CG-CG 4.03Å; P302-Y308 WeakPolarHBondContact CD-OH 3.28Å; P302-Y308 HydrophobicContact CG-CE2 4.32Å; P302-Y308 WeakPolarHBondContact O-CE2 3.15Å; P302-Y308 PolarHBondContact O-OH 2.89Å
303	P	98.3	Very high	98.7	Very high	57 Å²	57	27.8 Å²	27.8	37%	0.37	15%	0.153	S	C	.	.	S	Bend	trans	-77.7	-15.5	-172.6	29.5	-35.8	0	0	0	115	R460 N464	P303-R460 PolarHBondContact O-NE 3.44Å; P303-R460 PolarHBondContact O-NH2 2.7Å; P303-N464 PolarHBondContact O-ND2 2.89Å
304	E	98.6	Very high	98.7	Very high	88 Å²	88	27.5 Å²	27.5	41%	0.411	15%	0.151	S	C	.	.			trans	-69.8	137.7	-175.9	-62.6	73.5	-157.9	0	0	111.7	P302 E306 E307 Y308 N464	P302-E304 WeakPolarHBondContact CB-OE2 3.49Å; P302-E304 PolarHBondContact O-N 2.92Å; E304-E306 HydrophobicContact CB-CG 4.46Å; E304-E307 HydrophobicContact CB-CG 3.98Å; E304-Y308 VanDerWaalsContact O-CD2 3.23Å; E304-Y308 WeakPolarHBondContact O-CD2 3.21Å; E304-Y308 WeakPolarHBondContact O-CE2 3.49Å; E304-N464 PolarHBondContact O-ND2 3.27Å
305	I	98.8	Very high	98.7	Very high	53 Å²	53	31.8 Å²	31.8	27%	0.272	17%	0.17	S	C	.	.	S	Bend	trans	-67.5	-45.4	-176.1	-71	168.7	0	0	0	110.5	E307 Y308 P390 R467 N468	I305-E307 PolarHBondContact O-N 3.19Å; I305-E307 VanDerWaalsContact O-N 3.12Å; I305-Y308 PolarHBondContact O-N 3.23Å; I305-Y308 VanDerWaalsContact O-N 3.08Å; I305-P390 HydrophobicContact CD1-CG 4.2Å; I305-R467 HydrophobicContact CD1-CB 4.41Å; I305-R467 HydrophobicContact CG1-CB 4.4Å; I305-R467 HydrophobicContact CG2-CB 3.58Å; I305-R467 WeakPolarHBondContact CG2-O 3.25Å; I305-N468 PolarHBondContact O-ND2 3.31Å; I305-N468 PolarHBondContact O-OD1 3.23Å
306	E	98.4	Very high	98.7	Very high	89 Å²	89	32.2 Å²	32.2	42%	0.416	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-62.3	-20.2	-175.9	59.5	-92.5	-142.2	0	0	114.3	E304 Y308 C309	E304-E306 HydrophobicContact CB-CG 4.46Å; E306-Y308 PolarHBondContact O-N 2.87Å; E306-Y308 VanDerWaalsContact O-N 3.13Å; E306-C309 PolarHBondContact O-N 3.19Å; E306-C309 PolarHBondContact O-SG 3.43Å
307	E	98.4	Very high	98.6	Very high	37 Å²	37	32.4 Å²	32.4	17%	0.173	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-65.1	-12.9	175.3	-78.4	-70.8	111.9	0	0	112.9	K245 K294 P302 E304 I305 V312	K245-E307 VanDerWaalsContact CE-OE2 3.25Å; K245-E307 WeakPolarHBondContact CE-OE2 3.43Å; K245-E307 IonicContact NZ-OE1 2.66Å; K245-E307 PolarHBondContact NZ-OE1 2.81Å; K245-E307 IonicContact NZ-OE2 2.98Å; K245-E307 PolarHBondContact NZ-OE2 3.22Å; K294-E307 PolarHBondContact NZ-O 3Å; K294-E307 IonicContact NZ-OE2 3.64Å; K294-E307 PolarHBondContact NZ-OE2 3.01Å; P302-E307 HydrophobicContact CB-CB 4.49Å; P302-E307 HydrophobicContact CB-CG 4.2Å; P302-E307 HydrophobicContact CG-CB 3.91Å; P302-E307 HydrophobicContact CG-CG 4.03Å; E304-E307 HydrophobicContact CB-CG 3.98Å; I305-E307 PolarHBondContact O-N 3.19Å; I305-E307 VanDerWaalsContact O-N 3.12Å; E307-V312 WeakPolarHBondContact O-CG1 3.34Å
308	Y	98.8	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-114.7	12.8	-177.1	-58.6	-90.8	0	0	0	113.3	K294 A301 P302 E304 I305 E306 L313 G461 N464 W465	K294-Y308 HydrophobicContact CB-CE1 4.33Å; K294-Y308 HydrophobicContact CD-CD1 4.29Å; K294-Y308 HydrophobicContact CD-CE1 4.11Å; K294-Y308 HydrophobicContact CG-CD1 4.44Å; K294-Y308 HydrophobicContact CG-CE1 3.89Å; K294-Y308 WeakPolarHBondContact O-CE1 3.17Å; A301-Y308 WeakPolarHBondContact CA-OH 3.36Å; P302-Y308 WeakPolarHBondContact CD-OH 3.28Å; P302-Y308 HydrophobicContact CG-CE2 4.32Å; P302-Y308 WeakPolarHBondContact O-CE2 3.15Å; P302-Y308 PolarHBondContact O-OH 2.89Å; E304-Y308 VanDerWaalsContact O-CD2 3.23Å; E304-Y308 WeakPolarHBondContact O-CD2 3.21Å; E304-Y308 WeakPolarHBondContact O-CE2 3.49Å; I305-Y308 PolarHBondContact O-N 3.23Å; I305-Y308 VanDerWaalsContact O-N 3.08Å; E306-Y308 PolarHBondContact O-N 2.87Å; E306-Y308 VanDerWaalsContact O-N 3.13Å; Y308-L313 VanDerWaalsContact O-CD1 3.22Å; Y308-L313 WeakPolarHBondContact O-CD1 3.47Å; Y308-G461 WeakPolarHBondContact CE1-O 3.38Å; Y308-G461 VanDerWaalsContact CZ-CA 3.48Å; Y308-G461 VanDerWaalsContact OH-CA 3.28Å; Y308-G461 WeakPolarHBondContact OH-CA 3.39Å; Y308-N464 HydrophobicContact CD1-CB 4.45Å; Y308-N464 HydrophobicContact CD2-CB 3.33Å; Y308-N464 HydrophobicContact CE2-CB 3.9Å; Y308-N464 HydrophobicContact CG-CB 3.64Å; Y308-W465 AromaticContact CD1-CD1 3.58Å; Y308-W465 HydrophobicContact CD1-CG 4.46Å; Y308-W465 AromaticContact CD1-NE1 3.34Å; Y308-W465 VanDerWaalsContact CD1-NE1 3.34Å; Y308-W465 AromaticContact CE1-NE1 3.86Å
309	C	98.8	Very high	98.7	Very high	13 Å²	13	33 Å²	33	9%	0.088	18%	0.179	C	C	.	.	S	Bend	trans	-70.3	148.9	168.6	72.7	0	0	0	0	111.1	E306 E311 V312 L313 N468 R471 N472	E306-C309 PolarHBondContact O-N 3.19Å; E306-C309 PolarHBondContact O-SG 3.43Å; C309-E311 PolarHBondContact O-N 2.98Å; C309-E311 VanDerWaalsContact O-N 3.16Å; C309-V312 PolarHBondContact O-N 3.3Å; C309-V312 VanDerWaalsContact SG-CG2 3.51Å; C309-L313 WeakPolarHBondContact O-CG 3.47Å; C309-L313 PolarHBondContact O-N 2.88Å; C309-N468 HydrophobicContact CB-CB 3.91Å; C309-N468 WeakPolarHBondContact CB-OD1 3.25Å; C309-R471 HydrophobicContact CB-CB 4.26Å; C309-N472 WeakPolarHBondContact CA-OD1 3.28Å; C309-N472 WeakPolarHBondContact CB-OD1 3.36Å
310	M	98.8	Very high	98.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-33.7	-174.8	-68.4	-65.4	124.9	0	0	112.4	L313 C314 W336 V339 L340 Y343 W465 N472 W475	M310-L313 HydrophobicContact CE-CD1 3.77Å; M310-L313 HydrophobicContact SD-CD1 4.48Å; M310-C314 VanDerWaalsContact O-CB 3.3Å; M310-C314 WeakPolarHBondContact O-CB 3.5Å; M310-C314 PolarHBondContact O-N 3.41Å; M310-C314 PolarHBondContact O-SG 3.45Å; M310-W336 HydrophobicContact CE-CE3 3.53Å; M310-W336 HydrophobicContact CE-CZ3 3.59Å; M310-V339 HydrophobicContact SD-CG1 3.98Å; M310-L340 HydrophobicContact SD-CB 4.42Å; M310-Y343 HydrophobicContact CB-CD2 4.23Å; M310-Y343 HydrophobicContact CG-CD2 4.01Å; M310-Y343 HydrophobicContact CG-CE2 4.19Å; M310-Y343 HydrophobicContact SD-CD2 4.29Å; M310-W465 HydrophobicContact CE-CE3 3.65Å; M310-W465 HydrophobicContact CE-CZ3 3.94Å; M310-N472 HydrophobicContact CG-CB 4.37Å; M310-N472 PolarHBondContact N-OD1 3.34Å; M310-W475 HydrophobicContact CB-CE3 3.83Å; M310-W475 HydrophobicContact CB-CZ3 3.6Å
311	E	98.8	Very high	98.7	Very high	57 Å²	57	31.5 Å²	31.5	27%	0.266	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-44.7	176.4	-177.5	171.7	-175.3	0	0	112	C309 K315 W475	C309-E311 PolarHBondContact O-N 2.98Å; C309-E311 VanDerWaalsContact O-N 3.16Å; E311-K315 HydrophobicContact CG-CD 4.33Å; E311-K315 VanDerWaalsContact O-CG 3.26Å; E311-K315 WeakPolarHBondContact O-CG 3.34Å; E311-K315 PolarHBondContact O-N 3.06Å; E311-K315 WeakPolarHBondContact OE1-CE 3.23Å; E311-K315 IonicContact OE1-NZ 2.71Å; E311-K315 PolarHBondContact OE1-NZ 3.31Å; E311-W475 HydrophobicContact CB-CD2 3.76Å; E311-W475 HydrophobicContact CB-CE3 4.32Å; E311-W475 HydrophobicContact CB-CG 3.87Å; E311-W475 HydrophobicContact CB-CZ2 4.24Å; E311-W475 HydrophobicContact CG-CD2 4.36Å; E311-W475 HydrophobicContact CG-CG 4.35Å; E311-W475 HydrophobicContact CG-CZ2 4.35Å
312	V	98.8	Very high	98.7	Very high	33 Å²	33	33.8 Å²	33.8	20%	0.2	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-50.1	178.1	169.3	0	0	0	0	109.9	E307 C309 C314 K315 E316	E307-V312 WeakPolarHBondContact O-CG1 3.34Å; C309-V312 PolarHBondContact O-N 3.3Å; C309-V312 VanDerWaalsContact SG-CG2 3.51Å; V312-C314 VanDerWaalsContact C-N 3.34Å; V312-C314 PolarHBondContact O-N 3.47Å; V312-K315 PolarHBondContact O-N 2.95Å; V312-K315 VanDerWaalsContact O-N 3.16Å; V312-E316 HydrophobicContact CG1-CG 4.28Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.45Å; V312-E316 WeakPolarHBondContact O-CG 3.37Å; V312-E316 PolarHBondContact O-N 3.31Å
313	L	98.9	Very high	98.7	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-43.6	-178.2	-66	166.8	0	0	0	112.2	K294 Y308 C309 M310 E316 M317 L340 W465	K294-L313 HydrophobicContact CB-CD2 3.82Å; K294-L313 HydrophobicContact CD-CD2 3.76Å; K294-L313 HydrophobicContact CG-CD2 4.45Å; Y308-L313 VanDerWaalsContact O-CD1 3.22Å; Y308-L313 WeakPolarHBondContact O-CD1 3.47Å; C309-L313 WeakPolarHBondContact O-CG 3.47Å; C309-L313 PolarHBondContact O-N 2.88Å; M310-L313 HydrophobicContact CE-CD1 3.77Å; M310-L313 HydrophobicContact SD-CD1 4.48Å; L313-E316 PolarHBondContact O-N 2.85Å; L313-M317 WeakPolarHBondContact O-CG 3.24Å; L313-M317 PolarHBondContact O-N 3.04Å; L313-L340 HydrophobicContact CB-CD1 3.84Å; L313-W465 HydrophobicContact CD1-CD2 3.94Å; L313-W465 HydrophobicContact CD1-CE3 3.68Å; L313-W465 HydrophobicContact CD1-CH2 3.52Å; L313-W465 HydrophobicContact CD1-CZ2 3.78Å; L313-W465 HydrophobicContact CD1-CZ3 3.48Å; L313-W465 VanDerWaalsContact CD1-CZ3 3.48Å; L313-W465 HydrophobicContact CD2-CH2 3.95Å; L313-W465 HydrophobicContact CD2-CZ2 3.69Å; L313-W465 HydrophobicContact CG-CH2 4.24Å; L313-W465 HydrophobicContact CG-CZ2 4.36Å
314	C	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-42.8	176.9	-66.3	0	0	0	0	112	M310 V312 E316 M317 V318 M344 Y348 W475	M310-C314 VanDerWaalsContact O-CB 3.3Å; M310-C314 WeakPolarHBondContact O-CB 3.5Å; M310-C314 PolarHBondContact O-N 3.41Å; M310-C314 PolarHBondContact O-SG 3.45Å; V312-C314 VanDerWaalsContact C-N 3.34Å; V312-C314 PolarHBondContact O-N 3.47Å; C314-E316 VanDerWaalsContact C-N 3.27Å; C314-E316 PolarHBondContact O-N 2.99Å; C314-M317 PolarHBondContact O-N 2.7Å; C314-V318 WeakPolarHBondContact O-CG2 3.22Å; C314-V318 PolarHBondContact O-N 2.97Å; C314-M344 HydrophobicContact CB-SD 3.57Å; C314-M344 VanDerWaalsContact CB-SD 3.57Å; C314-Y348 HydrophobicContact CB-CD2 4.25Å; C314-Y348 HydrophobicContact CB-CE2 3.73Å; C314-W475 HydrophobicContact CB-CH2 4.06Å
315	K	98.7	Very high	98.7	Very high	92 Å²	92	36.8 Å²	36.8	40%	0.4	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-38	175.6	-75.7	173	-173.3	172.3	0	112.2	E311 V312 V318 T319 Y348	E311-K315 HydrophobicContact CG-CD 4.33Å; E311-K315 VanDerWaalsContact O-CG 3.26Å; E311-K315 WeakPolarHBondContact O-CG 3.34Å; E311-K315 PolarHBondContact O-N 3.06Å; E311-K315 WeakPolarHBondContact OE1-CE 3.23Å; E311-K315 IonicContact OE1-NZ 2.71Å; E311-K315 PolarHBondContact OE1-NZ 3.31Å; V312-K315 PolarHBondContact O-N 2.95Å; V312-K315 VanDerWaalsContact O-N 3.16Å; K315-V318 PolarHBondContact O-N 2.93Å; K315-T319 PolarHBondContact O-N 2.84Å; K315-T319 PolarHBondContact O-OG1 3.2Å; K315-Y348 WeakPolarHBondContact CG-OH 3.4Å
316	E	98.7	Very high	98.6	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-38.1	177.3	-69.9	-178	172.6	0	0	111.3	I244 K245 K294 V312 L313 C314 T319 F320	I244-E316 HydrophobicContact CG2-CB 3.82Å; I244-E316 HydrophobicContact CG2-CG 3.69Å; K245-E316 WeakPolarHBondContact CE-OE1 3.48Å; K245-E316 IonicContact NZ-OE1 2.83Å; K245-E316 PolarHBondContact NZ-OE1 3.25Å; K294-E316 VanDerWaalsContact CD-OE2 3.28Å; K294-E316 WeakPolarHBondContact CD-OE2 3.35Å; K294-E316 WeakPolarHBondContact CE-OE2 3.42Å; K294-E316 VanDerWaalsContact NZ-CD 3.27Å; K294-E316 IonicContact NZ-OE1 3.17Å; K294-E316 PolarHBondContact NZ-OE1 3.2Å; K294-E316 IonicContact NZ-OE2 2.68Å; K294-E316 PolarHBondContact NZ-OE2 3.08Å; V312-E316 HydrophobicContact CG1-CG 4.28Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.45Å; V312-E316 WeakPolarHBondContact O-CG 3.37Å; V312-E316 PolarHBondContact O-N 3.31Å; L313-E316 PolarHBondContact O-N 2.85Å; C314-E316 VanDerWaalsContact C-N 3.27Å; C314-E316 PolarHBondContact O-N 2.99Å; E316-T319 PolarHBondContact O-N 2.73Å; E316-F320 WeakPolarHBondContact O-CB 3.45Å; E316-F320 PolarHBondContact O-N 3.36Å
317	M	98.8	Very high	98.6	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-34.4	171.9	-67.9	-52.9	-63.8	0	0	113.2	L250 C262 M291 M293 L313 C314 F320 L321 F331 L340 M344	L250-M317 HydrophobicContact CD1-SD 4.1Å; C262-M317 VanDerWaalsContact SG-CE 3.55Å; M291-M317 HydrophobicContact CE-CE 4.05Å; M291-M317 HydrophobicContact CE-SD 4.21Å; M291-M317 HydrophobicContact CG-CE 4.13Å; M291-M317 HydrophobicContact SD-CE 4.24Å; M293-M317 HydrophobicContact CE-SD 4.36Å; L313-M317 WeakPolarHBondContact O-CG 3.24Å; L313-M317 PolarHBondContact O-N 3.04Å; C314-M317 PolarHBondContact O-N 2.7Å; M317-F320 HydrophobicContact CE-CD1 4.14Å; M317-F320 WeakPolarHBondContact O-CB 3.27Å; M317-F320 PolarHBondContact O-N 2.7Å; M317-L321 WeakPolarHBondContact O-CG 3.43Å; M317-L321 PolarHBondContact O-N 2.96Å; M317-L321 VanDerWaalsContact O-N 3.13Å; M317-F331 HydrophobicContact CE-CE1 3.92Å; M317-L340 HydrophobicContact CG-CD1 4.4Å; M317-L340 HydrophobicContact CG-CD2 4.23Å; M317-M344 HydrophobicContact CB-CE 3.9Å; M317-M344 HydrophobicContact CB-SD 4.04Å
318	V	98.8	Very high	98.5	Very high	19 Å²	19	37.4 Å²	37.4	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-47.2	171.4	173.1	0	0	0	0	110.8	C314 K315 F320 L321 D322 M344 Y348	C314-V318 WeakPolarHBondContact O-CG2 3.22Å; C314-V318 PolarHBondContact O-N 2.97Å; K315-V318 PolarHBondContact O-N 2.93Å; V318-F320 VanDerWaalsContact C-N 3.26Å; V318-F320 PolarHBondContact O-N 3.13Å; V318-L321 WeakPolarHBondContact O-CB 3.46Å; V318-L321 PolarHBondContact O-N 3.11Å; V318-D322 PolarHBondContact O-N 3.46Å; V318-M344 HydrophobicContact CG2-CE 3.99Å; V318-Y348 HydrophobicContact CG2-CD1 3.62Å; V318-Y348 HydrophobicContact CG2-CD2 3.8Å; V318-Y348 HydrophobicContact CG2-CE1 3.89Å; V318-Y348 HydrophobicContact CG2-CE2 4.07Å; V318-Y348 HydrophobicContact CG2-CG 3.56Å
319	T	98.8	Very high	98.5	Very high	43 Å²	43	37.5 Å²	37.5	26%	0.264	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-35.9	177.2	-55.4	0	0	0	0	111.6	I244 K315 E316 D322 K323	I244-T319 HydrophobicContact CD1-CG2 4.49Å; I244-T319 HydrophobicContact CG2-CG2 3.89Å; K315-T319 PolarHBondContact O-N 2.84Å; K315-T319 PolarHBondContact O-OG1 3.2Å; E316-T319 PolarHBondContact O-N 2.73Å; T319-D322 PolarHBondContact O-N 3.15Å; T319-K323 HydrophobicContact CG2-CD 4.44Å; T319-K323 WeakPolarHBondContact O-CG 3.13Å; T319-K323 PolarHBondContact O-N 2.89Å
320	F	98.8	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-48.5	174.5	174.2	-100	0	0	0	111.3	V242 I244 L250 F252 I289 M291 E316 M317 V318 D322 K323 L324	V242-F320 HydrophobicContact CB-CD2 3.8Å; V242-F320 HydrophobicContact CB-CE2 4.01Å; V242-F320 HydrophobicContact CG1-CD2 4.15Å; V242-F320 HydrophobicContact CG2-CD2 3.9Å; V242-F320 HydrophobicContact CG2-CE2 3.72Å; I244-F320 HydrophobicContact CD1-CB 3.69Å; I244-F320 HydrophobicContact CD1-CD2 4.28Å; L250-F320 HydrophobicContact CB-CD2 4.31Å; L250-F320 HydrophobicContact CD1-CB 4.34Å; L250-F320 HydrophobicContact CD1-CD2 4.29Å; F252-F320 HydrophobicContact CB-CZ 4.45Å; F252-F320 AromaticContact CD1-CE2 3.63Å; F252-F320 HydrophobicContact CD1-CE2 3.63Å; F252-F320 AromaticContact CD1-CZ 3.69Å; F252-F320 HydrophobicContact CD1-CZ 3.69Å; F252-F320 AromaticContact CE1-CE2 3.89Å; F252-F320 HydrophobicContact CE1-CE2 3.89Å; F252-F320 HydrophobicContact CE1-CZ 4.01Å; F252-F320 HydrophobicContact CG-CE2 4.37Å; F252-F320 HydrophobicContact CG-CZ 4.02Å; I289-F320 HydrophobicContact CG2-CE1 3.93Å; I289-F320 HydrophobicContact CG2-CZ 3.8Å; M291-F320 HydrophobicContact CE-CD1 4.31Å; M291-F320 HydrophobicContact CE-CD2 4.04Å; M291-F320 HydrophobicContact CE-CE1 4Å; M291-F320 HydrophobicContact CE-CE2 3.72Å; M291-F320 HydrophobicContact CE-CG 4.32Å; M291-F320 HydrophobicContact CE-CZ 3.69Å; M291-F320 HydrophobicContact SD-CD1 4.41Å; M291-F320 HydrophobicContact SD-CE1 3.64Å; M291-F320 HydrophobicContact SD-CE2 4.13Å; M291-F320 HydrophobicContact SD-CZ 3.47Å; M291-F320 WeakPolarHBondContact SD-CZ 3.31Å; E316-F320 WeakPolarHBondContact O-CB 3.45Å; E316-F320 PolarHBondContact O-N 3.36Å; M317-F320 HydrophobicContact CE-CD1 4.14Å; M317-F320 WeakPolarHBondContact O-CB 3.27Å; M317-F320 PolarHBondContact O-N 2.7Å; V318-F320 VanDerWaalsContact C-N 3.26Å; V318-F320 PolarHBondContact O-N 3.13Å; F320-D322 PolarHBondContact O-N 3.1Å; F320-K323 PolarHBondContact O-N 3.14Å; F320-L324 HydrophobicContact CD1-CD1 4.25Å; F320-L324 HydrophobicContact CE1-CD1 3.56Å; F320-L324 HydrophobicContact CE2-CD1 3.9Å; F320-L324 HydrophobicContact CE2-CG 4.47Å; F320-L324 HydrophobicContact CZ-CD1 3.35Å; F320-L324 HydrophobicContact CZ-CG 4.35Å; F320-L324 PolarHBondContact O-N 2.7Å; F320-L324 VanDerWaalsContact O-N 3.15Å
321	L	98.8	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-43.6	175	-66.9	-175.8	0	0	0	112	M317 V318 K323 L324 G325 L326 A329 F331 R351	M317-L321 WeakPolarHBondContact O-CG 3.43Å; M317-L321 PolarHBondContact O-N 2.96Å; M317-L321 VanDerWaalsContact O-N 3.13Å; V318-L321 WeakPolarHBondContact O-CB 3.46Å; V318-L321 PolarHBondContact O-N 3.11Å; L321-K323 VanDerWaalsContact C-N 3.32Å; L321-K323 PolarHBondContact O-N 3.41Å; L321-L324 PolarHBondContact O-N 2.79Å; L321-G325 PolarHBondContact O-N 3.47Å; L321-G325 VanDerWaalsContact O-N 3.14Å; L321-L326 HydrophobicContact CB-CB 4.28Å; L321-L326 HydrophobicContact CD2-CB 4.01Å; L321-L326 HydrophobicContact CD2-CD1 4.02Å; L321-L326 PolarHBondContact O-N 3.3Å; L321-A329 HydrophobicContact CD2-CB 3.84Å; L321-F331 HydrophobicContact CD1-CE2 3.93Å; L321-F331 HydrophobicContact CD1-CZ 3.81Å; L321-F331 HydrophobicContact CD2-CZ 4.36Å; L321-F331 HydrophobicContact CG-CZ 4.24Å; L321-R351 HydrophobicContact CD1-CB 4.19Å
322	D	98.7	Very high	98.6	Very high	87 Å²	87	34.1 Å²	34.1	47%	0.465	20%	0.196	S	C	.	.	H	α-helix	trans	-57.4	-45.7	178.6	-66.1	-25.3	0	0	0	111.8	V318 T319 F320 L324 G325 R351	V318-D322 PolarHBondContact O-N 3.46Å; T319-D322 PolarHBondContact O-N 3.15Å; F320-D322 PolarHBondContact O-N 3.1Å; D322-L324 VanDerWaalsContact C-N 3.32Å; D322-L324 PolarHBondContact O-N 3.03Å; D322-G325 PolarHBondContact O-N 3.39Å; D322-R351 IonicContact OD1-CZ 2.71Å; D322-R351 IonicContact OD1-NH1 3.82Å; D322-R351 PolarHBondContact OD1-NH1 2.54Å; D322-R351 IonicContact OD1-NH2 3.16Å; D322-R351 PolarHBondContact OD1-NH2 3.32Å; D322-R351 IonicContact OD2-NH1 2.72Å
323	K	98.6	Very high	98.6	Very high	116 Å²	116	32.5 Å²	32.5	50%	0.504	19%	0.186	S	C	.	.	H	α-helix	trans	-71.8	-24.7	-178.7	-70.6	-169.3	179.3	-155.7	0	113.8	V242 T243 T319 F320 L321 G325	V242-K323 HydrophobicContact CG1-CB 3.56Å; V242-K323 HydrophobicContact CG1-CD 3.66Å; V242-K323 HydrophobicContact CG1-CG 4.18Å; T243-K323 WeakPolarHBondContact O-CD 3.33Å; T243-K323 VanDerWaalsContact O-CE 3.26Å; T243-K323 WeakPolarHBondContact O-CE 3.15Å; T243-K323 PolarHBondContact O-NZ 3.4Å; T319-K323 HydrophobicContact CG2-CD 4.44Å; T319-K323 WeakPolarHBondContact O-CG 3.13Å; T319-K323 PolarHBondContact O-N 2.89Å; F320-K323 PolarHBondContact O-N 3.14Å; L321-K323 VanDerWaalsContact C-N 3.32Å; L321-K323 PolarHBondContact O-N 3.41Å; K323-G325 VanDerWaalsContact C-N 3.29Å
324	L	97.8	Very high	98.6	Very high	44 Å²	44	32.3 Å²	32.3	23%	0.23	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.6	170.5	-68.7	-175.4	0	0	0	113.3	V242 F252 I289 F320 L321 D322 L326	V242-L324 HydrophobicContact CG2-CD2 3.69Å; V242-L324 HydrophobicContact CG2-CG 4.03Å; F252-L324 HydrophobicContact CE1-CD1 4.37Å; F252-L324 HydrophobicContact CE1-CD2 4.32Å; F252-L324 HydrophobicContact CZ-CD1 4.1Å; F252-L324 HydrophobicContact CZ-CD2 4.02Å; I289-L324 HydrophobicContact CD1-CD1 4.2Å; F320-L324 HydrophobicContact CD1-CD1 4.25Å; F320-L324 HydrophobicContact CE1-CD1 3.56Å; F320-L324 HydrophobicContact CE2-CD1 3.9Å; F320-L324 HydrophobicContact CE2-CG 4.47Å; F320-L324 HydrophobicContact CZ-CD1 3.35Å; F320-L324 HydrophobicContact CZ-CG 4.35Å; F320-L324 PolarHBondContact O-N 2.7Å; F320-L324 VanDerWaalsContact O-N 3.15Å; L321-L324 PolarHBondContact O-N 2.79Å; D322-L324 VanDerWaalsContact C-N 3.32Å; D322-L324 PolarHBondContact O-N 3.03Å; L324-L326 VanDerWaalsContact C-N 3.26Å; L324-L326 HydrophobicContact CB-CD1 3.97Å; L324-L326 HydrophobicContact CB-CG 3.96Å; L324-L326 HydrophobicContact CD1-CD1 4.13Å; L324-L326 PolarHBondContact O-N 2.86Å
325	G	98.2	Very high	98.6	Very high	67 Å²	67	32.8 Å²	32.8	69%	0.691	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	25.3	-175.9	0	0	0	0	0	113.2	L321 D322 K323	L321-G325 PolarHBondContact O-N 3.47Å; L321-G325 VanDerWaalsContact O-N 3.14Å; D322-G325 PolarHBondContact O-N 3.39Å; K323-G325 VanDerWaalsContact C-N 3.29Å
326	L	97.8	Very high	98.6	Very high	25 Å²	25	29.7 Å²	29.7	13%	0.131	17%	0.174	C	C	.	.			trans	-96.4	114.3	-179.1	-65.2	176.5	0	0	0	110.3	A260 I289 L321 L324 R351	A260-L326 HydrophobicContact CB-CD1 4.03Å; A260-L326 HydrophobicContact CB-CD2 4.21Å; I289-L326 HydrophobicContact CD1-CD1 3.69Å; L321-L326 HydrophobicContact CB-CB 4.28Å; L321-L326 HydrophobicContact CD2-CB 4.01Å; L321-L326 HydrophobicContact CD2-CD1 4.02Å; L321-L326 PolarHBondContact O-N 3.3Å; L324-L326 VanDerWaalsContact C-N 3.26Å; L324-L326 HydrophobicContact CB-CD1 3.97Å; L324-L326 HydrophobicContact CB-CG 3.96Å; L324-L326 HydrophobicContact CD1-CD1 4.13Å; L324-L326 PolarHBondContact O-N 2.86Å; L326-R351 PolarHBondContact O-NH2 3.39Å
327	S	97.5	Very high	98.6	Very high	94 Å²	94	29.2 Å²	29.2	66%	0.657	17%	0.171	S	C	*	.	S	Bend	trans	-66.3	-41.2	173.5	55.3	0	0	0	0	111.4	R351	S327-R351 PolarHBondContact O-NE 3.16Å
328	Q	97.8	Very high	98.6	Very high	74 Å²	74	29 Å²	29	35%	0.346	17%	0.17	S	C	.	.			trans	-142.5	156.1	178	-57.9	-171.6	-52.6	0	0	111.8	E350 R351 R353	Q328-E350 WeakPolarHBondContact CG-O 2.86Å; Q328-E350 PolarHBondContact NE2-O 3.16Å; Q328-R351 VanDerWaalsContact CA-O 3.29Å; Q328-R351 WeakPolarHBondContact CA-O 3.28Å; Q328-R353 HydrophobicContact CB-CB 4.05Å
329	A	98.7	Very high	98.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.4	164.3	0	0	0	0	0	110.1	A260 C262 L321 F331 R351 R353	A260-A329 HydrophobicContact CB-CB 4.05Å; A260-A329 WeakPolarHBondContact O-CA 3.2Å; C262-A329 HydrophobicContact CB-CB 4.33Å; L321-A329 HydrophobicContact CD2-CB 3.84Å; A329-F331 HydrophobicContact CB-CD2 4.42Å; A329-F331 HydrophobicContact CB-CE2 4.01Å; A329-F331 HydrophobicContact CB-CZ 4.46Å; A329-F331 WeakPolarHBondContact O-CD2 3.23Å; A329-R351 PolarHBondContact N-O 3.25Å; A329-R353 WeakPolarHBondContact O-CB 3.37Å; A329-R353 PolarHBondContact O-N 2.7Å
330	V	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.5	162.1	-178.8	0	0	0	0	107.4	A260 V261 C262 I332 R353 A354 W541 L542 A546	A260-V330 PolarHBondContact O-N 3.1Å; V261-V330 CarbonylContact C-O 3.54Å; V261-V330 HydrophobicContact CG1-CB 4.46Å; V261-V330 HydrophobicContact CG2-CB 4.14Å; V261-V330 HydrophobicContact CG2-CG2 4.39Å; C262-V330 PolarHBondContact N-O 3.3Å; V330-I332 HydrophobicContact CG1-CD1 4.5Å; V330-I332 HydrophobicContact CG1-CG1 4.08Å; V330-R353 HydrophobicContact CG2-CB 4.01Å; V330-R353 HydrophobicContact CG2-CG 3.92Å; V330-A354 WeakPolarHBondContact CA-O 3.47Å; V330-A354 HydrophobicContact CG1-CB 4.12Å; V330-A354 WeakPolarHBondContact CG1-O 3.33Å; V330-A354 HydrophobicContact CG2-CB 4.28Å; V330-W541 HydrophobicContact CG1-CH2 3.81Å; V330-W541 HydrophobicContact CG1-CZ3 3.74Å; V330-L542 HydrophobicContact CB-CD2 4.33Å; V330-L542 HydrophobicContact CG1-CD2 3.77Å; V330-L542 HydrophobicContact CG2-CD2 4.16Å; V330-A546 HydrophobicContact CG2-CB 3.76Å
331	F	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.4	178.6	-79.7	-91.3	0	0	0	110.1	C262 M317 L321 A329 V341 M344 V352 A354 V355 A356	C262-F331 HydrophobicContact CB-CD1 3.96Å; C262-F331 HydrophobicContact CB-CE1 3.97Å; C262-F331 HydrophobicContact CB-CG 4.49Å; M317-F331 HydrophobicContact CE-CE1 3.92Å; L321-F331 HydrophobicContact CD1-CE2 3.93Å; L321-F331 HydrophobicContact CD1-CZ 3.81Å; L321-F331 HydrophobicContact CD2-CZ 4.36Å; L321-F331 HydrophobicContact CG-CZ 4.24Å; A329-F331 HydrophobicContact CB-CD2 4.42Å; A329-F331 HydrophobicContact CB-CE2 4.01Å; A329-F331 HydrophobicContact CB-CZ 4.46Å; A329-F331 WeakPolarHBondContact O-CD2 3.23Å; F331-V341 HydrophobicContact CB-CB 3.92Å; F331-V341 HydrophobicContact CB-CG1 3.66Å; F331-V341 HydrophobicContact CD1-CG1 4.23Å; F331-V341 HydrophobicContact CG-CG1 4.41Å; F331-M344 HydrophobicContact CE1-CE 4.04Å; F331-M344 HydrophobicContact CE2-CE 4.04Å; F331-M344 HydrophobicContact CZ-CE 3.62Å; F331-V352 HydrophobicContact CD2-CB 4.32Å; F331-V352 HydrophobicContact CD2-CG1 4.07Å; F331-V352 HydrophobicContact CD2-CG2 3.83Å; F331-V352 HydrophobicContact CE2-CG2 4.1Å; F331-A354 PolarHBondContact N-O 3.28Å; F331-V355 CarbonylContact O-C 3.59Å; F331-V355 WeakPolarHBondContact O-CA 3.21Å; F331-A356 PolarHBondContact O-N 3.04Å
332	I	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.6	177.8	-51	-176.5	0	0	0	108	V261 C262 L263 C264 W274 V330 A356 L538 L542	V261-I332 HydrophobicContact CG1-CD1 3.57Å; V261-I332 HydrophobicContact CG1-CG1 4.01Å; C262-I332 PolarHBondContact O-N 3.33Å; L263-I332 WeakPolarHBondContact CA-O 3.35Å; L263-I332 HydrophobicContact CD2-CB 3.81Å; L263-I332 HydrophobicContact CD2-CD1 4.02Å; L263-I332 HydrophobicContact CD2-CG1 4.23Å; L263-I332 HydrophobicContact CD2-CG2 4.38Å; C264-I332 PolarHBondContact N-O 2.93Å; W274-I332 HydrophobicContact CH2-CG2 3.99Å; W274-I332 HydrophobicContact CZ3-CG2 4.35Å; V330-I332 HydrophobicContact CG1-CD1 4.5Å; V330-I332 HydrophobicContact CG1-CG1 4.08Å; I332-A356 CarbonylContact C-O 3.58Å; I332-A356 VanDerWaalsContact CA-O 3.31Å; I332-A356 WeakPolarHBondContact CA-O 3.16Å; I332-A356 HydrophobicContact CB-CB 4.45Å; I332-A356 HydrophobicContact CG1-CB 4.13Å; I332-A356 HydrophobicContact CG2-CB 4.12Å; I332-L538 HydrophobicContact CD1-CD1 4.25Å; I332-L538 HydrophobicContact CD1-CD2 4.23Å; I332-L538 HydrophobicContact CG2-CD1 4.24Å; I332-L538 HydrophobicContact CG2-CD2 4.22Å; I332-L542 HydrophobicContact CD1-CD1 4.5Å; I332-L542 HydrophobicContact CD1-CD2 4.49Å
333	G	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	153.6	-176.2	0	0	0	0	0	112.9	C264 G337 A356 S357 L358	C264-G333 WeakPolarHBondContact O-CA 3.29Å; G333-G337 VanDerWaalsContact CA-C 3.5Å; G333-A356 PolarHBondContact N-O 3.3Å; G333-S357 CarbonylContact O-C 3.39Å; G333-S357 VanDerWaalsContact O-CA 3.32Å; G333-S357 WeakPolarHBondContact O-CA 3.25Å; G333-L358 PolarHBondContact O-N 3.46Å
334	H	98.9	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.4	168.1	163.7	-100.2	0	0	0	109.5	C264 H265 G266 E269 W274 W336 G337 G338 L358 H524 Q527	C264-H334 PolarHBondContact O-N 3.5Å; H265-H334 CarbonylContact C-O 3.57Å; G266-H334 WeakPolarHBondContact CA-O 3.37Å; G266-H334 PolarHBondContact N-O 3.06Å; E269-H334 IonicContact OE1-CE1 3.84Å; E269-H334 PolarHBondContact OE1-CE1 3.03Å; E269-H334 IonicContact OE1-ND1 2.72Å; E269-H334 PolarHBondContact OE1-ND1 3.36Å; E269-H334 IonicContact OE2-ND1 2.74Å; W274-H334 HydrophobicContact CH2-CB 4.14Å; W274-H334 HydrophobicContact CZ2-CB 3.91Å; H334-W336 PolarHBondContact O-N 2.97Å; H334-G337 VanDerWaalsContact O-CA 3.28Å; H334-G337 WeakPolarHBondContact O-CA 3.24Å; H334-G337 PolarHBondContact O-N 2.96Å; H334-G338 PolarHBondContact O-N 3.26Å; H334-G338 VanDerWaalsContact O-N 3.11Å; H334-L358 HydrophobicContact CB-CB 4.05Å; H334-L358 HydrophobicContact CB-CD1 4.47Å; H334-H524 PolarHBondContact NE2-O 3.49Å; H334-Q527 PolarHBondContact ND1-NE2 2.82Å
335	D	98.7	Very high	98.7	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	48.8	-119.6	-176	173.1	77	0	0	0	111.3	G266 F267 G337 G338 V339 T360 H524	G266-D335 WeakPolarHBondContact CA-OD2 3.37Å; F267-D335 PolarHBondContact N-OD2 2.83Å; D335-G337 VanDerWaalsContact C-N 3.32Å; D335-G337 PolarHBondContact O-N 3.02Å; D335-G338 VanDerWaalsContact O-CA 3.27Å; D335-G338 WeakPolarHBondContact O-CA 3.41Å; D335-G338 PolarHBondContact O-N 3.41Å; D335-V339 PolarHBondContact O-N 3.03Å; D335-V339 VanDerWaalsContact O-N 3.09Å; D335-T360 VanDerWaalsContact C-OG1 3.25Å; D335-T360 WeakPolarHBondContact CA-OG1 3.22Å; D335-T360 PolarHBondContact N-OG1 2.98Å; D335-T360 WeakPolarHBondContact O-CB 3.41Å; D335-T360 PolarHBondContact O-OG1 3.32Å; D335-H524 IonicContact OD1-CE1 3.2Å; D335-H524 IonicContact OD1-NE2 3.57Å
336	W	98.8	Very high	98.7	Very high	28 Å²	28	14.9 Å²	14.9	11%	0.106	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-32.2	175.7	-86.8	109.7	0	0	0	113.8	M310 H334 G338 V339 L340 W465 Y466	M310-W336 HydrophobicContact CE-CE3 3.53Å; M310-W336 HydrophobicContact CE-CZ3 3.59Å; H334-W336 PolarHBondContact O-N 2.97Å; W336-G338 PolarHBondContact O-N 3.48Å; W336-V339 HydrophobicContact CE3-CB 4Å; W336-V339 HydrophobicContact CE3-CG1 4.23Å; W336-V339 HydrophobicContact CE3-CG2 3.94Å; W336-V339 HydrophobicContact CZ3-CB 4.4Å; W336-V339 HydrophobicContact CZ3-CG1 4.16Å; W336-V339 HydrophobicContact CZ3-CG2 4.28Å; W336-V339 WeakPolarHBondContact O-CB 3.34Å; W336-V339 PolarHBondContact O-N 2.96Å; W336-L340 PolarHBondContact O-N 3.29Å; W336-W465 HydrophobicContact CB-CE3 3.84Å; W336-W465 HydrophobicContact CB-CZ3 4.26Å; W336-W465 HydrophobicContact CD2-CB 4.15Å; W336-W465 HydrophobicContact CD2-CE3 4.25Å; W336-W465 HydrophobicContact CE3-CE3 4.2Å; W336-W465 HydrophobicContact CG-CB 4.33Å; W336-W465 HydrophobicContact CG-CE3 4.14Å; W336-W465 WeakPolarHBondContact CH2-O 3.38Å; W336-W465 WeakPolarHBondContact CZ2-O 3.23Å; W336-Y466 AromaticContact CD1-CE2 3.84Å; W336-Y466 AromaticContact CD1-CZ 3.67Å; W336-Y466 AromaticContact CE2-CD1 3.85Å; W336-Y466 AromaticContact CE2-CE1 3.72Å; W336-Y466 AromaticContact CE2-CZ 3.91Å; W336-Y466 AromaticContact CZ2-CD1 3.46Å; W336-Y466 HydrophobicContact CZ2-CD1 3.46Å; W336-Y466 VanDerWaalsContact CZ2-CD1 3.46Å; W336-Y466 HydrophobicContact CZ2-CD2 4.36Å; W336-Y466 AromaticContact CZ2-CE1 3.76Å; W336-Y466 HydrophobicContact CZ2-CE1 3.76Å; W336-Y466 AromaticContact CZ2-CG 3.78Å; W336-Y466 HydrophobicContact CZ2-CG 3.78Å; W336-Y466 AromaticContact NE1-CD1 3.61Å; W336-Y466 AromaticContact NE1-CD2 3.55Å; W336-Y466 AromaticContact NE1-CE1 3.13Å; W336-Y466 AromaticContact NE1-CE2 3.1Å; W336-Y466 AromaticContact NE1-CG 3.79Å; W336-Y466 AromaticContact NE1-CZ 2.87Å; W336-Y466 PolarHBondContact NE1-OH 3.18Å
337	G	98.9	Very high	98.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-39.5	167.6	0	0	0	0	0	110.7	H265 G333 H334 D335 L340 V341	H265-G337 WeakPolarHBondContact O-CA 3.42Å; H265-G337 PolarHBondContact O-N 3.41Å; G333-G337 VanDerWaalsContact CA-C 3.5Å; H334-G337 VanDerWaalsContact O-CA 3.28Å; H334-G337 WeakPolarHBondContact O-CA 3.24Å; H334-G337 PolarHBondContact O-N 2.96Å; D335-G337 VanDerWaalsContact C-N 3.32Å; D335-G337 PolarHBondContact O-N 3.02Å; G337-L340 PolarHBondContact O-N 2.97Å; G337-V341 WeakPolarHBondContact O-CG1 3.45Å; G337-V341 PolarHBondContact O-N 2.66Å
338	G	98.8	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-44.5	173.4	0	0	0	0	0	112.8	H334 D335 W336 L340 V341 W342 S357	H334-G338 PolarHBondContact O-N 3.26Å; H334-G338 VanDerWaalsContact O-N 3.11Å; D335-G338 VanDerWaalsContact O-CA 3.27Å; D335-G338 WeakPolarHBondContact O-CA 3.41Å; D335-G338 PolarHBondContact O-N 3.41Å; W336-G338 PolarHBondContact O-N 3.48Å; G338-L340 PolarHBondContact O-N 2.7Å; G338-V341 VanDerWaalsContact O-CG2 3.29Å; G338-V341 WeakPolarHBondContact O-CG2 3.5Å; G338-V341 PolarHBondContact O-N 3.35Å; G338-W342 PolarHBondContact O-N 3.37Å; G338-S357 WeakPolarHBondContact CA-OG 3.38Å
339	V	98.8	Very high	98.8	Very high	38 Å²	38	11.7 Å²	11.7	23%	0.23	6%	0.059	C	C	.	.	H	α-helix	trans	-59.3	-48.1	174.2	-178.7	0	0	0	0	110.5	M310 D335 W336 V341 W342 Y343 T360	M310-V339 HydrophobicContact SD-CG1 3.98Å; D335-V339 PolarHBondContact O-N 3.03Å; D335-V339 VanDerWaalsContact O-N 3.09Å; W336-V339 HydrophobicContact CE3-CB 4Å; W336-V339 HydrophobicContact CE3-CG1 4.23Å; W336-V339 HydrophobicContact CE3-CG2 3.94Å; W336-V339 HydrophobicContact CZ3-CB 4.4Å; W336-V339 HydrophobicContact CZ3-CG1 4.16Å; W336-V339 HydrophobicContact CZ3-CG2 4.28Å; W336-V339 WeakPolarHBondContact O-CB 3.34Å; W336-V339 PolarHBondContact O-N 2.96Å; V339-V341 PolarHBondContact O-N 2.9Å; V339-W342 PolarHBondContact O-N 3.3Å; V339-Y343 HydrophobicContact CG1-CD2 3.81Å; V339-Y343 HydrophobicContact CG1-CE2 3.65Å; V339-Y343 VanDerWaalsContact O-CD2 3.27Å; V339-Y343 WeakPolarHBondContact O-CD2 3.37Å; V339-Y343 PolarHBondContact O-N 2.77Å; V339-T360 HydrophobicContact CB-CG2 4.47Å; V339-T360 HydrophobicContact CG2-CG2 3.55Å
340	L	98.9	Very high	98.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-46.5	-178.5	-179.6	148.4	0	0	0	111.8	M293 M310 L313 M317 W336 G337 G338 W342 Y343 M344 W465	M293-L340 HydrophobicContact CE-CD1 3.68Å; M293-L340 HydrophobicContact CE-CD2 4.48Å; M310-L340 HydrophobicContact SD-CB 4.42Å; L313-L340 HydrophobicContact CB-CD1 3.84Å; M317-L340 HydrophobicContact CG-CD1 4.4Å; M317-L340 HydrophobicContact CG-CD2 4.23Å; W336-L340 PolarHBondContact O-N 3.29Å; G337-L340 PolarHBondContact O-N 2.97Å; G338-L340 PolarHBondContact O-N 2.7Å; L340-W342 VanDerWaalsContact C-N 3.32Å; L340-W342 PolarHBondContact O-N 3.22Å; L340-Y343 PolarHBondContact O-N 2.8Å; L340-Y343 VanDerWaalsContact O-N 3.13Å; L340-M344 HydrophobicContact CD2-CG 3.74Å; L340-M344 HydrophobicContact CG-CG 4.46Å; L340-M344 WeakPolarHBondContact O-CG 3.3Å; L340-M344 PolarHBondContact O-N 2.92Å; L340-W465 HydrophobicContact CD1-CH2 3.87Å; L340-W465 HydrophobicContact CD1-CZ3 4.07Å
341	V	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.7	-31.5	-175.6	-59.3	0	0	0	0	112.5	C264 F331 G337 G338 V339 M344 A345 V355 A356	C264-V341 HydrophobicContact CB-CG1 4.23Å; F331-V341 HydrophobicContact CB-CB 3.92Å; F331-V341 HydrophobicContact CB-CG1 3.66Å; F331-V341 HydrophobicContact CD1-CG1 4.23Å; F331-V341 HydrophobicContact CG-CG1 4.41Å; G337-V341 WeakPolarHBondContact O-CG1 3.45Å; G337-V341 PolarHBondContact O-N 2.66Å; G338-V341 VanDerWaalsContact O-CG2 3.29Å; G338-V341 WeakPolarHBondContact O-CG2 3.5Å; G338-V341 PolarHBondContact O-N 3.35Å; V339-V341 PolarHBondContact O-N 2.9Å; V341-M344 PolarHBondContact O-N 2.94Å; V341-A345 PolarHBondContact O-N 3.44Å; V341-V355 HydrophobicContact CB-CG2 3.92Å; V341-V355 HydrophobicContact CG2-CG2 3.84Å; V341-V355 WeakPolarHBondContact O-CG2 3.44Å; V341-A356 WeakPolarHBondContact CG2-O 3.5Å
342	W	98.9	Very high	98.7	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-63.5	-42	170.4	-69.6	132.4	0	0	0	112.1	G338 V339 L340 A345 L346 V355 S357 T360 F362 I484 A488 M490 M507 I511 L514	G338-W342 PolarHBondContact O-N 3.37Å; V339-W342 PolarHBondContact O-N 3.3Å; L340-W342 VanDerWaalsContact C-N 3.32Å; L340-W342 PolarHBondContact O-N 3.22Å; W342-A345 PolarHBondContact O-N 3.12Å; W342-L346 PolarHBondContact O-N 3.45Å; W342-L346 VanDerWaalsContact O-N 3.12Å; W342-V355 HydrophobicContact CD2-CG2 4.5Å; W342-V355 HydrophobicContact CE3-CG1 4.08Å; W342-V355 HydrophobicContact CE3-CG2 3.82Å; W342-V355 HydrophobicContact CZ3-CB 4.39Å; W342-V355 HydrophobicContact CZ3-CG1 3.61Å; W342-V355 HydrophobicContact CZ3-CG2 3.88Å; W342-S357 VanDerWaalsContact CE2-CB 3.43Å; W342-S357 VanDerWaalsContact NE1-CB 3.3Å; W342-S357 PolarHBondContact NE1-OG 3.06Å; W342-T360 PolarHBondContact NE1-O 3.17Å; W342-F362 HydrophobicContact CB-CB 4.49Å; W342-F362 HydrophobicContact CB-CD2 3.96Å; W342-F362 HydrophobicContact CD2-CB 3.97Å; W342-F362 HydrophobicContact CG-CB 3.92Å; W342-F362 HydrophobicContact CG-CD2 4.29Å; W342-I484 HydrophobicContact CE3-CD1 3.8Å; W342-I484 HydrophobicContact CZ3-CD1 4.38Å; W342-A488 HydrophobicContact CH2-CB 4.38Å; W342-A488 HydrophobicContact CZ3-CB 4.07Å; W342-M490 HydrophobicContact CZ2-SD 4.21Å; W342-M507 HydrophobicContact CH2-CE 3.83Å; W342-M507 HydrophobicContact CZ2-CE 3.46Å; W342-M507 VanDerWaalsContact CZ2-CE 3.46Å; W342-I511 HydrophobicContact CE3-CD1 4.09Å; W342-I511 HydrophobicContact CH2-CD1 4.12Å; W342-I511 HydrophobicContact CZ3-CD1 3.71Å; W342-L514 HydrophobicContact CH2-CD1 4.24Å
343	Y	98.9	Very high	98.7	Very high	28 Å²	28	19.5 Å²	19.5	11%	0.11	9%	0.093	C	C	.	.	H	α-helix	trans	-69.4	-34.8	175.4	-78.6	-60.1	0	0	0	113.2	M310 V339 L340 A345 L346 F347 W475 A476	M310-Y343 HydrophobicContact CB-CD2 4.23Å; M310-Y343 HydrophobicContact CG-CD2 4.01Å; M310-Y343 HydrophobicContact CG-CE2 4.19Å; M310-Y343 HydrophobicContact SD-CD2 4.29Å; V339-Y343 HydrophobicContact CG1-CD2 3.81Å; V339-Y343 HydrophobicContact CG1-CE2 3.65Å; V339-Y343 VanDerWaalsContact O-CD2 3.27Å; V339-Y343 WeakPolarHBondContact O-CD2 3.37Å; V339-Y343 PolarHBondContact O-N 2.77Å; L340-Y343 PolarHBondContact O-N 2.8Å; L340-Y343 VanDerWaalsContact O-N 3.13Å; Y343-A345 VanDerWaalsContact C-N 3.31Å; Y343-A345 PolarHBondContact O-N 2.92Å; Y343-L346 HydrophobicContact CD1-CD1 4.13Å; Y343-L346 HydrophobicContact CE1-CD1 4.41Å; Y343-L346 PolarHBondContact O-N 3.11Å; Y343-F347 HydrophobicContact CD1-CD2 4.03Å; Y343-F347 AromaticContact CD1-CE2 3.72Å; Y343-F347 HydrophobicContact CD1-CE2 3.72Å; Y343-F347 HydrophobicContact CE1-CE2 4.26Å; Y343-F347 WeakPolarHBondContact O-CB 3.45Å; Y343-F347 WeakPolarHBondContact O-CD2 3.46Å; Y343-F347 PolarHBondContact O-N 3.21Å; Y343-W475 HydrophobicContact CD1-CE3 4.19Å; Y343-W475 HydrophobicContact CD1-CH2 4.43Å; Y343-W475 AromaticContact CD1-CZ3 3.69Å; Y343-W475 HydrophobicContact CD1-CZ3 3.69Å; Y343-W475 HydrophobicContact CD2-CZ3 4.35Å; Y343-W475 HydrophobicContact CE1-CE3 4.5Å; Y343-W475 HydrophobicContact CE1-CZ3 4.41Å; Y343-W475 HydrophobicContact CG-CE3 4.46Å; Y343-W475 HydrophobicContact CG-CH2 4.4Å; Y343-W475 AromaticContact CG-CZ3 3.66Å; Y343-W475 HydrophobicContact CG-CZ3 3.66Å; Y343-A476 HydrophobicContact CE1-CB 3.65Å; Y343-A476 WeakPolarHBondContact OH-CB 3.47Å
344	M	98.8	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.7	-45.6	170.5	-73.1	-67	-70.1	0	0	110.9	C314 M317 V318 F331 L340 V341 L346 Y348 V352	C314-M344 HydrophobicContact CB-SD 3.57Å; C314-M344 VanDerWaalsContact CB-SD 3.57Å; M317-M344 HydrophobicContact CB-CE 3.9Å; M317-M344 HydrophobicContact CB-SD 4.04Å; V318-M344 HydrophobicContact CG2-CE 3.99Å; F331-M344 HydrophobicContact CE1-CE 4.04Å; F331-M344 HydrophobicContact CE2-CE 4.04Å; F331-M344 HydrophobicContact CZ-CE 3.62Å; L340-M344 HydrophobicContact CD2-CG 3.74Å; L340-M344 HydrophobicContact CG-CG 4.46Å; L340-M344 WeakPolarHBondContact O-CG 3.3Å; L340-M344 PolarHBondContact O-N 2.92Å; V341-M344 PolarHBondContact O-N 2.94Å; M344-L346 VanDerWaalsContact C-N 3.32Å; M344-L346 PolarHBondContact O-N 2.96Å; M344-Y348 CarbonylContact O-C 3.41Å; M344-Y348 VanDerWaalsContact O-C 3.3Å; M344-Y348 WeakPolarHBondContact O-CA 3.47Å; M344-Y348 PolarHBondContact O-N 3.35Å; M344-Y348 HydrophobicContact SD-CD2 4.02Å; M344-V352 HydrophobicContact CB-CG2 3.85Å
345	A	98.7	Very high	98.7	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.033	9%	0.093	C	C	.	.	H	α-helix	trans	-64.4	-32.8	177.9	0	0	0	0	0	113.4	V341 W342 Y343 P349 V355 I484 I486	V341-A345 PolarHBondContact O-N 3.44Å; W342-A345 PolarHBondContact O-N 3.12Å; Y343-A345 VanDerWaalsContact C-N 3.31Å; Y343-A345 PolarHBondContact O-N 2.92Å; A345-P349 WeakPolarHBondContact O-CB 3.45Å; A345-V355 HydrophobicContact CB-CB 4.14Å; A345-V355 HydrophobicContact CB-CG1 3.87Å; A345-V355 HydrophobicContact CB-CG2 4.32Å; A345-I484 HydrophobicContact CB-CD1 4.24Å; A345-I484 HydrophobicContact CB-CG1 4.34Å; A345-I484 HydrophobicContact CB-CG2 4.04Å; A345-I486 HydrophobicContact CB-CD1 3.85Å; A345-I486 HydrophobicContact CB-CG1 4.46Å
346	L	98.2	Very high	98.7	Very high	8 Å²	8	19 Å²	19	4%	0.042	9%	0.091	C	C	.	.	H	α-helix	trans	-78.2	-38.1	179	-79	171.2	0	0	0	114.5	W342 Y343 M344 F362 R482 I484	W342-L346 PolarHBondContact O-N 3.45Å; W342-L346 VanDerWaalsContact O-N 3.12Å; Y343-L346 HydrophobicContact CD1-CD1 4.13Å; Y343-L346 HydrophobicContact CE1-CD1 4.41Å; Y343-L346 PolarHBondContact O-N 3.11Å; M344-L346 VanDerWaalsContact C-N 3.32Å; M344-L346 PolarHBondContact O-N 2.96Å; L346-F362 HydrophobicContact CD1-CD2 4.35Å; L346-F362 HydrophobicContact CD1-CE2 3.4Å; L346-F362 VanDerWaalsContact CD1-CE2 3.4Å; L346-F362 HydrophobicContact CD1-CZ 3.63Å; L346-F362 HydrophobicContact CD2-CZ 4.5Å; L346-F362 HydrophobicContact CG-CE2 4.48Å; L346-R482 HydrophobicContact CD2-CB 4.24Å; L346-R482 PolarHBondContact O-NH1 3.14Å; L346-I484 HydrophobicContact CD2-CD1 4.17Å; L346-I484 HydrophobicContact CD2-CG1 3.58Å; L346-I484 HydrophobicContact CG-CD1 3.98Å; L346-I484 HydrophobicContact CG-CG1 3.83Å
347	F	98.7	Very high	98.7	Very high	31 Å²	31	17.7 Å²	17.7	14%	0.136	9%	0.086	C	C	.	.	H	α-helix	trans	-102.3	-25.5	-171	-75.9	-82.6	0	0	0	113.7	Y343 P349 W475	Y343-F347 HydrophobicContact CD1-CD2 4.03Å; Y343-F347 AromaticContact CD1-CE2 3.72Å; Y343-F347 HydrophobicContact CD1-CE2 3.72Å; Y343-F347 HydrophobicContact CE1-CE2 4.26Å; Y343-F347 WeakPolarHBondContact O-CB 3.45Å; Y343-F347 WeakPolarHBondContact O-CD2 3.46Å; Y343-F347 PolarHBondContact O-N 3.21Å; F347-P349 VanDerWaalsContact C-CD 3.45Å; F347-W475 HydrophobicContact CB-CH2 4.2Å; F347-W475 HydrophobicContact CB-CZ2 3.93Å; F347-W475 AromaticContact CD1-CE2 3.95Å; F347-W475 HydrophobicContact CD1-CH2 4.48Å; F347-W475 AromaticContact CD1-CZ2 3.71Å; F347-W475 HydrophobicContact CD1-CZ2 3.71Å; F347-W475 HydrophobicContact CD2-CD2 4.46Å; F347-W475 AromaticContact CD2-CE2 3.95Å; F347-W475 HydrophobicContact CD2-CE3 4.39Å; F347-W475 AromaticContact CD2-CH2 3.29Å; F347-W475 HydrophobicContact CD2-CH2 3.29Å; F347-W475 AromaticContact CD2-CZ2 3.36Å; F347-W475 HydrophobicContact CD2-CZ2 3.36Å; F347-W475 AromaticContact CD2-CZ3 3.84Å; F347-W475 HydrophobicContact CD2-CZ3 3.84Å; F347-W475 HydrophobicContact CE1-CD2 4.43Å; F347-W475 AromaticContact CE1-CE2 3.78Å; F347-W475 HydrophobicContact CE1-CZ2 4Å; F347-W475 AromaticContact CE1-NE1 3.75Å; F347-W475 AromaticContact CE2-CD2 3.92Å; F347-W475 HydrophobicContact CE2-CD2 3.92Å; F347-W475 AromaticContact CE2-CE2 3.77Å; F347-W475 AromaticContact CE2-CE3 3.91Å; F347-W475 HydrophobicContact CE2-CE3 3.91Å; F347-W475 AromaticContact CE2-CH2 3.68Å; F347-W475 HydrophobicContact CE2-CH2 3.68Å; F347-W475 AromaticContact CE2-CZ2 3.67Å; F347-W475 HydrophobicContact CE2-CZ2 3.67Å; F347-W475 AromaticContact CE2-CZ3 3.79Å; F347-W475 HydrophobicContact CE2-CZ3 3.79Å; F347-W475 AromaticContact CG-CH2 3.74Å; F347-W475 HydrophobicContact CG-CH2 3.74Å; F347-W475 AromaticContact CG-CZ2 3.37Å; F347-W475 HydrophobicContact CG-CZ2 3.37Å; F347-W475 AromaticContact CZ-CD2 3.9Å; F347-W475 HydrophobicContact CZ-CD2 3.9Å; F347-W475 AromaticContact CZ-CE2 3.68Å; F347-W475 HydrophobicContact CZ-CE3 4.33Å; F347-W475 HydrophobicContact CZ-CG 4.35Å; F347-W475 HydrophobicContact CZ-CH2 4.42Å; F347-W475 AromaticContact CZ-CZ2 3.98Å; F347-W475 HydrophobicContact CZ-CZ2 3.98Å; F347-W475 AromaticContact CZ-NE1 3.97Å; F347-W475 WeakPolarHBondContact CZ-O 3.38Å
348	Y	98.6	Very high	98.7	Very high	41 Å²	41	17.8 Å²	17.8	16%	0.161	9%	0.086	C	C	.	.			trans	-134	48.9	-179	-54.3	-78.4	0	0	0	112.1	C314 K315 V318 M344 E350 R351 V352	C314-Y348 HydrophobicContact CB-CD2 4.25Å; C314-Y348 HydrophobicContact CB-CE2 3.73Å; K315-Y348 WeakPolarHBondContact CG-OH 3.4Å; V318-Y348 HydrophobicContact CG2-CD1 3.62Å; V318-Y348 HydrophobicContact CG2-CD2 3.8Å; V318-Y348 HydrophobicContact CG2-CE1 3.89Å; V318-Y348 HydrophobicContact CG2-CE2 4.07Å; V318-Y348 HydrophobicContact CG2-CG 3.56Å; M344-Y348 CarbonylContact O-C 3.41Å; M344-Y348 VanDerWaalsContact O-C 3.3Å; M344-Y348 WeakPolarHBondContact O-CA 3.47Å; M344-Y348 PolarHBondContact O-N 3.35Å; M344-Y348 HydrophobicContact SD-CD2 4.02Å; Y348-E350 VanDerWaalsContact C-OE2 3.22Å; Y348-E350 WeakPolarHBondContact CA-OE2 3.36Å; Y348-E350 PolarHBondContact O-N 3.3Å; Y348-E350 VanDerWaalsContact O-N 3.08Å; Y348-R351 PolarHBondContact O-N 3.33Å; Y348-V352 PolarHBondContact O-N 3.31Å
349	P	98.3	Very high	98.7	Very high	53 Å²	53	17.8 Å²	17.8	34%	0.344	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.4	-177.5	25.4	-35.3	0	0	0	113.1	A345 F347 R351 V352 I486	A345-P349 WeakPolarHBondContact O-CB 3.45Å; F347-P349 VanDerWaalsContact C-CD 3.45Å; P349-R351 PolarHBondContact O-N 2.96Å; P349-V352 PolarHBondContact O-N 3.1Å; P349-I486 HydrophobicContact CB-CG2 4.3Å
350	E	98	Very high	98.7	Very high	111 Å²	111	16.3 Å²	16.3	52%	0.519	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.4	175.6	74.7	-69.9	170.2	0	0	113.5	Q328 Y348	Q328-E350 WeakPolarHBondContact CG-O 2.86Å; Q328-E350 PolarHBondContact NE2-O 3.16Å; Y348-E350 VanDerWaalsContact C-OE2 3.22Å; Y348-E350 WeakPolarHBondContact CA-OE2 3.36Å; Y348-E350 PolarHBondContact O-N 3.3Å; Y348-E350 VanDerWaalsContact O-N 3.08Å
351	R	98.4	Very high	98.7	Very high	31 Å²	31	16.9 Å²	16.9	12%	0.117	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-12.1	178.1	-51	-52.1	-61.2	-88.4	1	113	L321 D322 L326 S327 Q328 A329 Y348 P349	L321-R351 HydrophobicContact CD1-CB 4.19Å; D322-R351 IonicContact OD1-CZ 2.71Å; D322-R351 IonicContact OD1-NH1 3.82Å; D322-R351 PolarHBondContact OD1-NH1 2.54Å; D322-R351 IonicContact OD1-NH2 3.16Å; D322-R351 PolarHBondContact OD1-NH2 3.32Å; D322-R351 IonicContact OD2-NH1 2.72Å; L326-R351 PolarHBondContact O-NH2 3.39Å; S327-R351 PolarHBondContact O-NE 3.16Å; Q328-R351 VanDerWaalsContact CA-O 3.29Å; Q328-R351 WeakPolarHBondContact CA-O 3.28Å; A329-R351 PolarHBondContact N-O 3.25Å; Y348-R351 PolarHBondContact O-N 3.33Å; P349-R351 PolarHBondContact O-N 2.96Å
352	V	98.8	Very high	98.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.5	-177.2	-176.6	0	0	0	0	109.5	F331 M344 Y348 P349 A354 V355 I486	F331-V352 HydrophobicContact CD2-CB 4.32Å; F331-V352 HydrophobicContact CD2-CG1 4.07Å; F331-V352 HydrophobicContact CD2-CG2 3.83Å; F331-V352 HydrophobicContact CE2-CG2 4.1Å; M344-V352 HydrophobicContact CB-CG2 3.85Å; Y348-V352 PolarHBondContact O-N 3.31Å; P349-V352 PolarHBondContact O-N 3.1Å; V352-A354 VanDerWaalsContact C-N 3.35Å; V352-A354 VanDerWaalsContact CG1-O 3.29Å; V352-A354 WeakPolarHBondContact CG1-O 3.43Å; V352-V355 HydrophobicContact CG1-CB 4.12Å; V352-I486 HydrophobicContact CB-CD1 3.65Å; V352-I486 HydrophobicContact CG1-CD1 3.37Å
353	R	98	Very high	98.5	Very high	23 Å²	23	22 Å²	22	9%	0.087	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-41.2	179	176.3	60.8	-170.9	76.1	10.5	111.8	Q328 A329 V330 D545 A546 R547 P549	Q328-R353 HydrophobicContact CB-CB 4.05Å; A329-R353 WeakPolarHBondContact O-CB 3.37Å; A329-R353 PolarHBondContact O-N 2.7Å; V330-R353 HydrophobicContact CG2-CB 4.01Å; V330-R353 HydrophobicContact CG2-CG 3.92Å; R353-D545 PolarHBondContact NH1-O 3.23Å; R353-D545 VanDerWaalsContact NH1-O 3.17Å; R353-D545 PolarHBondContact NH2-O 2.98Å; R353-A546 PolarHBondContact NE-O 2.72Å; R353-A546 PolarHBondContact NH2-O 3.19Å; R353-R547 PolarHBondContact NH2-O 3.29Å; R353-P549 VanDerWaalsContact CZ-CB 3.4Å; R353-P549 VanDerWaalsContact NH2-CA 3.33Å
354	A	98.8	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	160.2	174.4	0	0	0	0	0	108.1	V330 F331 V352 P487 W541 A546	V330-A354 WeakPolarHBondContact CA-O 3.47Å; V330-A354 HydrophobicContact CG1-CB 4.12Å; V330-A354 WeakPolarHBondContact CG1-O 3.33Å; V330-A354 HydrophobicContact CG2-CB 4.28Å; F331-A354 PolarHBondContact N-O 3.28Å; V352-A354 VanDerWaalsContact C-N 3.35Å; V352-A354 VanDerWaalsContact CG1-O 3.29Å; V352-A354 WeakPolarHBondContact CG1-O 3.43Å; A354-P487 CarbonylContact C-O 3.59Å; A354-P487 WeakPolarHBondContact CA-O 3.45Å; A354-P487 HydrophobicContact CB-CB 4.05Å; A354-W541 HydrophobicContact CB-CH2 3.5Å; A354-W541 VanDerWaalsContact CB-CH2 3.5Å; A354-W541 HydrophobicContact CB-CZ2 3.64Å; A354-A546 HydrophobicContact CB-CB 4.15Å
355	V	98.9	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.8	-178.5	58.3	0	0	0	0	111.8	F331 V341 W342 A345 V352 I484 I486 P487 A488 L489 W541	F331-V355 CarbonylContact O-C 3.59Å; F331-V355 WeakPolarHBondContact O-CA 3.21Å; V341-V355 HydrophobicContact CB-CG2 3.92Å; V341-V355 HydrophobicContact CG2-CG2 3.84Å; V341-V355 WeakPolarHBondContact O-CG2 3.44Å; W342-V355 HydrophobicContact CD2-CG2 4.5Å; W342-V355 HydrophobicContact CE3-CG1 4.08Å; W342-V355 HydrophobicContact CE3-CG2 3.82Å; W342-V355 HydrophobicContact CZ3-CB 4.39Å; W342-V355 HydrophobicContact CZ3-CG1 3.61Å; W342-V355 HydrophobicContact CZ3-CG2 3.88Å; A345-V355 HydrophobicContact CB-CB 4.14Å; A345-V355 HydrophobicContact CB-CG1 3.87Å; A345-V355 HydrophobicContact CB-CG2 4.32Å; V352-V355 HydrophobicContact CG1-CB 4.12Å; V355-I484 HydrophobicContact CG1-CG2 4.34Å; V355-I486 HydrophobicContact CG1-CD1 4.23Å; V355-I486 HydrophobicContact CG1-CG1 4.35Å; V355-P487 PolarHBondContact N-O 2.71Å; V355-A488 HydrophobicContact CG1-CB 3.82Å; V355-A488 CarbonylContact O-C 3.58Å; V355-A488 WeakPolarHBondContact O-CA 3.38Å; V355-L489 PolarHBondContact O-N 3.37Å; V355-W541 WeakPolarHBondContact O-CH2 2.97Å; V355-W541 WeakPolarHBondContact O-CZ2 3.44Å
356	A	98.9	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.4	170.9	0	0	0	0	0	111	F331 I332 G333 V341 L489 L538 W541	F331-A356 PolarHBondContact O-N 3.04Å; I332-A356 CarbonylContact C-O 3.58Å; I332-A356 VanDerWaalsContact CA-O 3.31Å; I332-A356 WeakPolarHBondContact CA-O 3.16Å; I332-A356 HydrophobicContact CB-CB 4.45Å; I332-A356 HydrophobicContact CG1-CB 4.13Å; I332-A356 HydrophobicContact CG2-CB 4.12Å; G333-A356 PolarHBondContact N-O 3.3Å; V341-A356 WeakPolarHBondContact CG2-O 3.5Å; A356-L489 CarbonylContact C-O 3.6Å; A356-L489 VanDerWaalsContact CA-O 3.27Å; A356-L489 WeakPolarHBondContact CA-O 3.37Å; A356-L489 HydrophobicContact CB-CB 3.85Å; A356-L489 HydrophobicContact CB-CD2 4.13Å; A356-L489 HydrophobicContact CB-CG 4.35Å; A356-L538 HydrophobicContact CB-CD2 4.41Å; A356-W541 HydrophobicContact CB-CE3 4.27Å; A356-W541 HydrophobicContact CB-CH2 3.89Å; A356-W541 HydrophobicContact CB-CZ2 4.49Å; A356-W541 HydrophobicContact CB-CZ3 3.77Å
357	S	98.9	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.4	172.8	-174.2	0	0	0	0	110.7	G333 G338 W342 T360 L489 V491	G333-S357 CarbonylContact O-C 3.39Å; G333-S357 VanDerWaalsContact O-CA 3.32Å; G333-S357 WeakPolarHBondContact O-CA 3.25Å; G338-S357 WeakPolarHBondContact CA-OG 3.38Å; W342-S357 VanDerWaalsContact CE2-CB 3.43Å; W342-S357 VanDerWaalsContact NE1-CB 3.3Å; W342-S357 PolarHBondContact NE1-OG 3.06Å; S357-T360 WeakPolarHBondContact CB-O 3.5Å; S357-T360 PolarHBondContact OG-O 3.03Å; S357-L489 PolarHBondContact N-O 2.77Å; S357-V491 PolarHBondContact O-N 3.46Å
358	L	98.9	Very high	97.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.1	166.9	-48.3	-174	0	0	0	108.2	W274 G333 H334 T360 V491 T526 Q527 V534 L538	W274-L358 HydrophobicContact CH2-CD1 3.57Å; W274-L358 HydrophobicContact CH2-CG 4.2Å; W274-L358 HydrophobicContact CZ3-CD1 3.73Å; G333-L358 PolarHBondContact O-N 3.46Å; H334-L358 HydrophobicContact CB-CB 4.05Å; H334-L358 HydrophobicContact CB-CD1 4.47Å; L358-T360 PolarHBondContact O-N 2.68Å; L358-V491 HydrophobicContact CD2-CB 3.59Å; L358-V491 HydrophobicContact CD2-CG1 4.09Å; L358-V491 HydrophobicContact CD2-CG2 3.66Å; L358-T526 HydrophobicContact CD1-CG2 4.4Å; L358-Q527 HydrophobicContact CD1-CG 3.93Å; L358-V534 HydrophobicContact CD1-CG1 4.13Å; L358-L538 HydrophobicContact CD2-CD2 4.38Å
359	N	98.8	Very high	97.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.19	C	C	.	.	S	Bend	trans	73.5	-49.6	174.3	-50.8	33.5	0	0	0	113.5	P361 M490 V491 D496 L499 H524 T526	N359-P361 VanDerWaalsContact O-CD 3.24Å; N359-P361 WeakPolarHBondContact O-CD 3.22Å; N359-M490 WeakPolarHBondContact O-CE 3.23Å; N359-V491 PolarHBondContact N-O 2.91Å; N359-D496 PolarHBondContact ND2-OD2 2.72Å; N359-L499 HydrophobicContact CB-CB 4.2Å; N359-L499 HydrophobicContact CB-CD1 3.93Å; N359-H524 PolarHBondContact ND2-O 3.09Å; N359-T526 VanDerWaalsContact CG-OG1 3.3Å; N359-T526 PolarHBondContact ND2-OG1 2.97Å; N359-T526 PolarHBondContact OD1-OG1 3.41Å
360	T	98.8	Very high	97	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.043	19%	0.19	C	C	.	.			trans	-73.5	114	-173.3	-56	0	0	0	0	112.1	D335 V339 W342 S357 L358	D335-T360 VanDerWaalsContact C-OG1 3.25Å; D335-T360 WeakPolarHBondContact CA-OG1 3.22Å; D335-T360 PolarHBondContact N-OG1 2.98Å; D335-T360 WeakPolarHBondContact O-CB 3.41Å; D335-T360 PolarHBondContact O-OG1 3.32Å; V339-T360 HydrophobicContact CB-CG2 4.47Å; V339-T360 HydrophobicContact CG2-CG2 3.55Å; W342-T360 PolarHBondContact NE1-O 3.17Å; S357-T360 WeakPolarHBondContact CB-O 3.5Å; S357-T360 PolarHBondContact OG-O 3.03Å; L358-T360 PolarHBondContact O-N 2.68Å
361	P	98.5	Very high	96.6	Very high	12 Å²	12	30.5 Å²	30.5	8%	0.078	17%	0.172	C	C	.	.			trans	-75.7	158.8	176.2	33.4	-35.6	0	0	0	111.4	N359 I363 M490 M503 M507	N359-P361 VanDerWaalsContact O-CD 3.24Å; N359-P361 WeakPolarHBondContact O-CD 3.22Å; P361-I363 HydrophobicContact CB-CG1 4.31Å; P361-I363 HydrophobicContact CG-CD1 3.91Å; P361-I363 HydrophobicContact CG-CG1 4.08Å; P361-M490 HydrophobicContact CB-CE 4.23Å; P361-M503 HydrophobicContact CG-CB 3.82Å; P361-M503 HydrophobicContact CG-CE 4.35Å; P361-M507 HydrophobicContact CB-SD 3.84Å
362	F	98.4	Very high	96.2	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.066	19%	0.185	C	C	.	.			trans	-84.4	116.5	163.1	176.7	-112.4	0	0	0	109.8	W342 L346 P364 I484 M507 W510 I511	W342-F362 HydrophobicContact CB-CB 4.49Å; W342-F362 HydrophobicContact CB-CD2 3.96Å; W342-F362 HydrophobicContact CD2-CB 3.97Å; W342-F362 HydrophobicContact CG-CB 3.92Å; W342-F362 HydrophobicContact CG-CD2 4.29Å; L346-F362 HydrophobicContact CD1-CD2 4.35Å; L346-F362 HydrophobicContact CD1-CE2 3.4Å; L346-F362 VanDerWaalsContact CD1-CE2 3.4Å; L346-F362 HydrophobicContact CD1-CZ 3.63Å; L346-F362 HydrophobicContact CD2-CZ 4.5Å; L346-F362 HydrophobicContact CG-CE2 4.48Å; F362-P364 HydrophobicContact CE1-CG 3.78Å; F362-P364 HydrophobicContact CZ-CB 4.28Å; F362-P364 HydrophobicContact CZ-CG 3.98Å; F362-I484 HydrophobicContact CG-CD1 4.46Å; F362-M507 HydrophobicContact CB-CE 3.88Å; F362-M507 HydrophobicContact CB-CG 4.41Å; F362-M507 PolarHBondContact N-SD 2.8Å; F362-M507 VanDerWaalsContact N-SD 3.43Å; F362-M507 WeakPolarHBondContact O-CG 3.48Å; F362-W510 HydrophobicContact CD1-CB 3.96Å; F362-W510 HydrophobicContact CD1-CG 4.41Å; F362-W510 HydrophobicContact CE1-CB 3.64Å; F362-W510 AromaticContact CE1-CG 3.96Å; F362-W510 HydrophobicContact CE1-CG 3.96Å; F362-I511 HydrophobicContact CB-CD1 4.12Å; F362-I511 HydrophobicContact CD1-CD1 4.25Å; F362-I511 HydrophobicContact CD1-CG1 4.33Å; F362-I511 HydrophobicContact CG-CD1 4.44Å
363	I	95.9	Very high	95.9	Very high	94 Å²	94	38.2 Å²	38.2	48%	0.482	21%	0.211	S	C	.	.			trans	-124.9	115.1	173.8	-57.2	175.5	0	0	0	107.5	P361 M503	P361-I363 HydrophobicContact CB-CG1 4.31Å; P361-I363 HydrophobicContact CG-CD1 3.91Å; P361-I363 HydrophobicContact CG-CG1 4.08Å; I363-M503 HydrophobicContact CD1-CB 4.4Å; I363-M503 HydrophobicContact CD1-CE 3.87Å
364	P	94.9	Very high	95.6	Very high	32 Å²	32	40.6 Å²	40.6	21%	0.208	23%	0.231	C	C	.	.			trans	-60.7	150.1	177.4	-15.6	23.4	0	0	0	112.2	F362 N366 W510	F362-P364 HydrophobicContact CE1-CG 3.78Å; F362-P364 HydrophobicContact CZ-CB 4.28Å; F362-P364 HydrophobicContact CZ-CG 3.98Å; P364-N366 PolarHBondContact O-N 3.12Å; P364-W510 HydrophobicContact CG-CD2 3.51Å; P364-W510 HydrophobicContact CG-CE3 4.08Å; P364-W510 HydrophobicContact CG-CG 3.8Å; P364-W510 HydrophobicContact CG-CH2 4.33Å; P364-W510 HydrophobicContact CG-CZ2 3.8Å; P364-W510 HydrophobicContact CG-CZ3 4.46Å
365	A	95.3	Very high	95.2	Very high	17 Å²	17	41.5 Å²	41.5	14%	0.14	24%	0.236	C	C	.	.			trans	-62.2	135.1	172	0	0	0	0	0	111	P367 A476 L480	A365-P367 WeakPolarHBondContact O-CD 3.1Å; A365-A476 HydrophobicContact CB-CB 3.72Å; A365-L480 VanDerWaalsContact O-CD2 3.28Å; A365-L480 WeakPolarHBondContact O-CD2 3.28Å
366	N	94.3	Very high	94.8	Very high	80 Å²	80	48 Å²	48	43%	0.428	26%	0.264	S	S	.	.			trans	-87.8	113.1	170.9	-175.1	-19.3	0	0	0	109.2	P364 N368 V369 W473	P364-N366 PolarHBondContact O-N 3.12Å; N366-N368 PolarHBondContact O-N 3.2Å; N366-N368 VanDerWaalsContact O-N 3.15Å; N366-N368 WeakPolarHBondContact OD1-CB 3.47Å; N366-N368 PolarHBondContact OD1-N 3.3Å; N366-V369 HydrophobicContact CB-CB 4.24Å; N366-V369 WeakPolarHBondContact ND2-CG2 3.39Å; N366-V369 PolarHBondContact O-N 3.45Å; N366-V369 VanDerWaalsContact O-O 3.12Å; N366-W473 PolarHBondContact O-NE1 3.44Å
367	P	94.6	Very high	94.4	Very high	65 Å²	65	51.9 Å²	51.9	42%	0.422	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.4	-177.2	29.2	-36.4	0	0	0	113.5	A365 W473 L480	A365-P367 WeakPolarHBondContact O-CD 3.1Å; P367-W473 WeakPolarHBondContact O-CZ2 3.33Å; P367-L480 HydrophobicContact CB-CD1 3.86Å; P367-L480 HydrophobicContact CG-CD1 3.81Å
368	N	95.5	Very high	94	Very high	143 Å²	143	54.3 Å²	54.3	77%	0.765	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-7.2	-177.4	-57.6	-44.5	0	0	0	113.3	N366	N366-N368 PolarHBondContact O-N 3.2Å; N366-N368 VanDerWaalsContact O-N 3.15Å; N366-N368 WeakPolarHBondContact OD1-CB 3.47Å; N366-N368 PolarHBondContact OD1-N 3.3Å
369	V	92.4	Very high	93.6	Very high	47 Å²	47	58.6 Å²	58.6	29%	0.285	34%	0.337	S	S	.	.	S	Bend	trans	-125.6	117.6	-176.4	-179.5	0	0	0	0	108.8	N366 E373 W473	N366-V369 HydrophobicContact CB-CB 4.24Å; N366-V369 WeakPolarHBondContact ND2-CG2 3.39Å; N366-V369 PolarHBondContact O-N 3.45Å; N366-V369 VanDerWaalsContact O-O 3.12Å; V369-E373 HydrophobicContact CG1-CB 4.16Å; V369-W473 PolarHBondContact O-NE1 3.48Å
370	P	91.4	Very high	93.2	Very high	53 Å²	53	60.6 Å²	60.6	34%	0.344	35%	0.349	S	S	.	.			trans	-56.2	142.8	173.1	-24.5	34	0	0	0	111.6	L372 E373 S374	P370-L372 VanDerWaalsContact C-N 3.27Å; P370-L372 PolarHBondContact O-N 3.5Å; P370-E373 HydrophobicContact CB-CG 4.24Å; P370-E373 HydrophobicContact CG-CG 4.35Å; P370-E373 WeakPolarHBondContact O-CB 3.49Å; P370-E373 PolarHBondContact O-N 3.42Å; P370-S374 PolarHBondContact O-N 2.96Å
371	P	90.8	Very high	92.9	Very high	19 Å²	19	61.5 Å²	61.5	12%	0.123	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-34.6	-174	23.4	-33.4	0	0	0	113	E373 S374 I375 M469 W473	P371-E373 VanDerWaalsContact C-N 3.32Å; P371-E373 PolarHBondContact O-N 3.37Å; P371-S374 PolarHBondContact O-N 3.29Å; P371-I375 WeakPolarHBondContact O-CG1 3.19Å; P371-I375 PolarHBondContact O-N 2.98Å; P371-M469 HydrophobicContact CB-CB 4.21Å; P371-M469 HydrophobicContact CG-CB 4.31Å; P371-W473 HydrophobicContact CB-CB 4.1Å; P371-W473 HydrophobicContact CB-CG 4.35Å; P371-W473 HydrophobicContact CG-CB 3.82Å; P371-W473 HydrophobicContact CG-CG 4.07Å
372	L	90.4	Very high	92.7	Very high	75 Å²	75	62.7 Å²	62.7	39%	0.393	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-35.2	177.3	-171.2	67.3	0	0	0	112.4	P370 K376 L385	P370-L372 VanDerWaalsContact C-N 3.27Å; P370-L372 PolarHBondContact O-N 3.5Å; L372-K376 HydrophobicContact CG-CD 4.46Å; L372-K376 VanDerWaalsContact O-CG 3.32Å; L372-K376 WeakPolarHBondContact O-CG 3.31Å; L372-K376 PolarHBondContact O-N 3.06Å; L372-K376 VanDerWaalsContact O-N 3.09Å; L372-L385 HydrophobicContact CD1-CD2 3.56Å
373	E	92.2	Very high	92.6	Very high	119 Å²	119	62.8 Å²	62.8	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-69.2	-41.5	175.6	-67.4	-177.3	-168.7	0	0	111	V369 P370 P371 I375 K376 A377	V369-E373 HydrophobicContact CG1-CB 4.16Å; P370-E373 HydrophobicContact CB-CG 4.24Å; P370-E373 HydrophobicContact CG-CG 4.35Å; P370-E373 WeakPolarHBondContact O-CB 3.49Å; P370-E373 PolarHBondContact O-N 3.42Å; P371-E373 VanDerWaalsContact C-N 3.32Å; P371-E373 PolarHBondContact O-N 3.37Å; E373-I375 VanDerWaalsContact C-N 3.29Å; E373-I375 PolarHBondContact O-N 3.44Å; E373-K376 PolarHBondContact O-N 3Å; E373-A377 WeakPolarHBondContact O-CB 3.39Å; E373-A377 PolarHBondContact O-N 3.14Å
374	S	90.4	Very high	92.6	Very high	73 Å²	73	59.5 Å²	59.5	51%	0.51	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-37.2	176	-171.9	0	0	0	0	112.6	P370 P371	P370-S374 PolarHBondContact O-N 2.96Å; P371-S374 PolarHBondContact O-N 3.29Å
375	I	90.1	Very high	92.7	Very high	19 Å²	19	59.8 Å²	59.8	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-71.2	-46.3	178.1	-72.2	167.4	0	0	0	110.7	P371 E373 A377 N378 F381 Q384 L385 M469	P371-I375 WeakPolarHBondContact O-CG1 3.19Å; P371-I375 PolarHBondContact O-N 2.98Å; E373-I375 VanDerWaalsContact C-N 3.29Å; E373-I375 PolarHBondContact O-N 3.44Å; I375-A377 PolarHBondContact O-N 2.99Å; I375-N378 PolarHBondContact O-N 3.5Å; I375-N378 VanDerWaalsContact O-O 3.12Å; I375-F381 HydrophobicContact CG2-CB 3.9Å; I375-Q384 HydrophobicContact CG2-CB 4.49Å; I375-L385 HydrophobicContact CG2-CD2 3.8Å; I375-L385 HydrophobicContact CG2-CG 4.08Å; I375-M469 HydrophobicContact CD1-CE 3.24Å; I375-M469 HydrophobicContact CD1-CG 4.07Å; I375-M469 HydrophobicContact CD1-SD 3.2Å; I375-M469 WeakPolarHBondContact CD1-SD 3.45Å
376	K	90.9	Very high	92.8	Very high	135 Å²	135	60 Å²	60	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-60.2	-28.4	176.4	-74.8	175.4	178.3	-178.5	0	113	L372 E373 N378 L385	L372-K376 HydrophobicContact CG-CD 4.46Å; L372-K376 VanDerWaalsContact O-CG 3.32Å; L372-K376 WeakPolarHBondContact O-CG 3.31Å; L372-K376 PolarHBondContact O-N 3.06Å; L372-K376 VanDerWaalsContact O-N 3.09Å; E373-K376 PolarHBondContact O-N 3Å; K376-N378 PolarHBondContact O-N 2.9Å; K376-L385 HydrophobicContact CG-CD1 3.92Å; K376-L385 HydrophobicContact CG-CD2 4.36Å
377	A	91.8	Very high	93	Very high	83 Å²	83	56.5 Å²	56.5	69%	0.686	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.6	177.2	0	0	0	0	0	113.5	E373 I375	E373-A377 WeakPolarHBondContact O-CB 3.39Å; E373-A377 PolarHBondContact O-N 3.14Å; I375-A377 PolarHBondContact O-N 2.99Å
378	N	90.3	Very high	93.1	Very high	50 Å²	50	56 Å²	56	27%	0.267	31%	0.311	S	S	.	.			trans	-115.7	105.8	178.2	-171.6	-2.4	0	0	0	111.5	I375 K376 V380 F381	I375-N378 PolarHBondContact O-N 3.5Å; I375-N378 VanDerWaalsContact O-O 3.12Å; K376-N378 PolarHBondContact O-N 2.9Å; N378-V380 WeakPolarHBondContact ND2-CG2 3.34Å; N378-V380 PolarHBondContact O-N 2.99Å; N378-V380 WeakPolarHBondContact OD1-CG2 3.45Å; N378-V380 PolarHBondContact OD1-N 3.44Å; N378-F381 HydrophobicContact CB-CD2 3.79Å; N378-F381 HydrophobicContact CB-CE2 4.22Å; N378-F381 WeakPolarHBondContact ND2-CE2 3.5Å; N378-F381 PolarHBondContact O-N 3.36Å
379	P	90	Very high	93.3	Very high	92 Å²	92	55.2 Å²	55.2	60%	0.597	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.8	-176.5	-26.4	34.9	0	0	0	115.4	F381 D382	P379-F381 PolarHBondContact O-N 3.34Å; P379-D382 WeakPolarHBondContact O-CB 3.44Å; P379-D382 PolarHBondContact O-N 2.92Å
380	V	90.2	Very high	93.6	Very high	43 Å²	43	56.2 Å²	56.2	26%	0.261	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-71.1	-13.7	178.1	-59	0	0	0	0	113	N378 Y383	N378-V380 WeakPolarHBondContact ND2-CG2 3.34Å; N378-V380 PolarHBondContact O-N 2.99Å; N378-V380 WeakPolarHBondContact OD1-CG2 3.45Å; N378-V380 PolarHBondContact OD1-N 3.44Å; V380-Y383 VanDerWaalsContact O-CD1 3.24Å; V380-Y383 WeakPolarHBondContact O-CD1 3.41Å; V380-Y383 VanDerWaalsContact O-CE1 3.25Å; V380-Y383 WeakPolarHBondContact O-CE1 3.23Å
381	F	92.8	Very high	93.9	Very high	26 Å²	26	55.5 Å²	55.5	11%	0.114	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-97.6	10.9	176.2	-61.1	-36.7	0	0	0	113.9	I375 N378 P379 Y383 Q384 V498 M503	I375-F381 HydrophobicContact CG2-CB 3.9Å; N378-F381 HydrophobicContact CB-CD2 3.79Å; N378-F381 HydrophobicContact CB-CE2 4.22Å; N378-F381 WeakPolarHBondContact ND2-CE2 3.5Å; N378-F381 PolarHBondContact O-N 3.36Å; P379-F381 PolarHBondContact O-N 3.34Å; F381-Y383 HydrophobicContact CD1-CE1 4.14Å; F381-Y383 PolarHBondContact O-N 2.65Å; F381-Q384 HydrophobicContact CB-CG 4.29Å; F381-Q384 VanDerWaalsContact O-CB 3.31Å; F381-Q384 WeakPolarHBondContact O-CB 3.14Å; F381-Q384 PolarHBondContact O-N 3.22Å; F381-V498 HydrophobicContact CD1-CG1 3.97Å; F381-V498 HydrophobicContact CE1-CG1 3.65Å; F381-M503 HydrophobicContact CE2-CE 4.19Å; F381-M503 HydrophobicContact CZ-CE 3.62Å; F381-M503 HydrophobicContact CZ-SD 4.28Å
382	D	94.8	Very high	94.2	Very high	36 Å²	36	57.6 Å²	57.6	19%	0.193	33%	0.325	C	S	.	.	H	α-helix	trans	-57.4	-35.1	179.1	-171.3	72	0	0	0	112.5	P379 Q384 L385 Y386 K421 V422 C423	P379-D382 WeakPolarHBondContact O-CB 3.44Å; P379-D382 PolarHBondContact O-N 2.92Å; D382-Q384 PolarHBondContact O-N 2.98Å; D382-L385 VanDerWaalsContact O-CB 3.3Å; D382-L385 WeakPolarHBondContact O-CB 3.35Å; D382-L385 PolarHBondContact O-N 3.26Å; D382-Y386 PolarHBondContact O-N 3.06Å; D382-K421 WeakPolarHBondContact OD2-CA 3.37Å; D382-K421 PolarHBondContact OD2-N 3.35Å; D382-V422 PolarHBondContact OD2-N 3.39Å; D382-C423 PolarHBondContact OD2-N 2.65Å
383	Y	95.9	Very high	94.6	Very high	18 Å²	18	54 Å²	54	7%	0.071	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-29.3	173.1	77.3	-85	0	0	0	113.7	V380 F381 L385 Y386 F387 M419 Y466 V498	V380-Y383 VanDerWaalsContact O-CD1 3.24Å; V380-Y383 WeakPolarHBondContact O-CD1 3.41Å; V380-Y383 VanDerWaalsContact O-CE1 3.25Å; V380-Y383 WeakPolarHBondContact O-CE1 3.23Å; F381-Y383 HydrophobicContact CD1-CE1 4.14Å; F381-Y383 PolarHBondContact O-N 2.65Å; Y383-L385 VanDerWaalsContact C-N 3.27Å; Y383-L385 PolarHBondContact O-N 2.81Å; Y383-Y386 WeakPolarHBondContact O-CB 3.42Å; Y383-Y386 PolarHBondContact O-N 3.38Å; Y383-F387 HydrophobicContact CD2-CD2 4.04Å; Y383-F387 AromaticContact CD2-CE2 3.59Å; Y383-F387 HydrophobicContact CD2-CE2 3.59Å; Y383-F387 HydrophobicContact CD2-CZ 4.03Å; Y383-F387 HydrophobicContact CE2-CD2 4.41Å; Y383-F387 AromaticContact CE2-CE2 3.97Å; Y383-F387 HydrophobicContact CE2-CE2 3.97Å; Y383-F387 WeakPolarHBondContact O-CD1 3.22Å; Y383-F387 WeakPolarHBondContact O-CG 3.47Å; Y383-F387 PolarHBondContact O-N 3.03Å; Y383-F387 VanDerWaalsContact O-N 3.08Å; Y383-M419 HydrophobicContact CD1-CB 4.12Å; Y383-Y466 AromaticContact CE2-CE1 3.97Å; Y383-Y466 HydrophobicContact CE2-CE1 3.97Å; Y383-V498 HydrophobicContact CE1-CG1 3.95Å
384	Q	96.8	Very high	94.9	Very high	25 Å²	25	49 Å²	49	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-70.9	-26.9	177.3	-56.4	-171.1	12.9	0	0	111.9	I375 F381 D382 Q388 Y466 M469	I375-Q384 HydrophobicContact CG2-CB 4.49Å; F381-Q384 HydrophobicContact CB-CG 4.29Å; F381-Q384 VanDerWaalsContact O-CB 3.31Å; F381-Q384 WeakPolarHBondContact O-CB 3.14Å; F381-Q384 PolarHBondContact O-N 3.22Å; D382-Q384 PolarHBondContact O-N 2.98Å; Q384-Q388 WeakPolarHBondContact O-CG 3.41Å; Q384-Q388 PolarHBondContact O-NE2 2.99Å; Q384-Y466 HydrophobicContact CB-CD1 4.23Å; Q384-Y466 HydrophobicContact CG-CD1 3.89Å; Q384-Y466 HydrophobicContact CG-CE1 3.9Å; Q384-M469 HydrophobicContact CB-CE 3.93Å
385	L	96.4	Very high	95.3	Very high	38 Å²	38	48.6 Å²	48.6	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-70.9	-41.3	171.5	-57.1	177	0	0	0	110.3	L372 I375 K376 D382 Y383 F387 Q388	L372-L385 HydrophobicContact CD1-CD2 3.56Å; I375-L385 HydrophobicContact CG2-CD2 3.8Å; I375-L385 HydrophobicContact CG2-CG 4.08Å; K376-L385 HydrophobicContact CG-CD1 3.92Å; K376-L385 HydrophobicContact CG-CD2 4.36Å; D382-L385 VanDerWaalsContact O-CB 3.3Å; D382-L385 WeakPolarHBondContact O-CB 3.35Å; D382-L385 PolarHBondContact O-N 3.26Å; Y383-L385 VanDerWaalsContact C-N 3.27Å; Y383-L385 PolarHBondContact O-N 2.81Å; L385-F387 PolarHBondContact O-N 2.92Å; L385-Q388 WeakPolarHBondContact O-CB 3.39Å; L385-Q388 WeakPolarHBondContact O-CG 3.5Å; L385-Q388 PolarHBondContact O-N 3.27Å; L385-Q388 VanDerWaalsContact O-N 3.13Å
386	Y	97.1	Very high	95.7	Very high	22 Å²	22	49 Å²	49	9%	0.086	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-35.3	173.9	176.9	-108	0	0	0	112.1	D382 Y383 Q388 V392 A393 E396 V422 C423 L428	D382-Y386 PolarHBondContact O-N 3.06Å; Y383-Y386 WeakPolarHBondContact O-CB 3.42Å; Y383-Y386 PolarHBondContact O-N 3.38Å; Y386-Q388 VanDerWaalsContact C-N 3.28Å; Y386-Q388 PolarHBondContact O-N 3.28Å; Y386-V392 HydrophobicContact CD2-CG1 4.41Å; Y386-V392 HydrophobicContact CE2-CG1 3.6Å; Y386-A393 HydrophobicContact CD1-CB 4.21Å; Y386-A393 HydrophobicContact CE1-CB 3.78Å; Y386-E396 VanDerWaalsContact CE1-OE2 3.31Å; Y386-E396 WeakPolarHBondContact CE1-OE2 3.23Å; Y386-E396 PolarHBondContact OH-OE2 2.89Å; Y386-V422 HydrophobicContact CD1-CG1 3.79Å; Y386-V422 HydrophobicContact CD2-CG1 4.23Å; Y386-V422 HydrophobicContact CG-CG1 3.66Å; Y386-C423 PolarHBondContact N-SG 2.96Å; Y386-L428 HydrophobicContact CD1-CG 4.26Å; Y386-L428 HydrophobicContact CE1-CG 4.29Å
387	F	98.2	Very high	96.1	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.4	178.4	-67.9	-9.8	0	0	0	115.5	F267 Y383 L385 A393 L397 L428 L463 Y466 R467	F267-F387 HydrophobicContact CD1-CE2 4.24Å; F267-F387 HydrophobicContact CE1-CD2 4.46Å; F267-F387 AromaticContact CE1-CE2 3.49Å; F267-F387 HydrophobicContact CE1-CE2 3.49Å; F267-F387 VanDerWaalsContact CE1-CE2 3.49Å; F267-F387 AromaticContact CE1-CZ 3.74Å; F267-F387 HydrophobicContact CE1-CZ 3.74Å; F267-F387 AromaticContact CZ-CE2 3.91Å; F267-F387 HydrophobicContact CZ-CE2 3.91Å; F267-F387 HydrophobicContact CZ-CZ 4.08Å; Y383-F387 HydrophobicContact CD2-CD2 4.04Å; Y383-F387 AromaticContact CD2-CE2 3.59Å; Y383-F387 HydrophobicContact CD2-CE2 3.59Å; Y383-F387 HydrophobicContact CD2-CZ 4.03Å; Y383-F387 HydrophobicContact CE2-CD2 4.41Å; Y383-F387 AromaticContact CE2-CE2 3.97Å; Y383-F387 HydrophobicContact CE2-CE2 3.97Å; Y383-F387 WeakPolarHBondContact O-CD1 3.22Å; Y383-F387 WeakPolarHBondContact O-CG 3.47Å; Y383-F387 PolarHBondContact O-N 3.03Å; Y383-F387 VanDerWaalsContact O-N 3.08Å; L385-F387 PolarHBondContact O-N 2.92Å; F387-A393 HydrophobicContact CD1-CB 3.61Å; F387-A393 HydrophobicContact CE1-CB 4.05Å; F387-L397 HydrophobicContact CE1-CD1 4.47Å; F387-L428 HydrophobicContact CE1-CD1 3.49Å; F387-L428 VanDerWaalsContact CE1-CD1 3.49Å; F387-L428 HydrophobicContact CE1-CG 4.33Å; F387-L428 HydrophobicContact CZ-CD1 3.67Å; F387-L463 HydrophobicContact CB-CD2 3.86Å; F387-L463 HydrophobicContact CD1-CD2 3.66Å; F387-L463 HydrophobicContact CD2-CD2 3.79Å; F387-L463 HydrophobicContact CE1-CD2 4.04Å; F387-L463 HydrophobicContact CE2-CD2 4.17Å; F387-L463 HydrophobicContact CG-CD2 3.51Å; F387-L463 HydrophobicContact CZ-CD2 4.28Å; F387-Y466 HydrophobicContact CD2-CD1 4.17Å; F387-Y466 AromaticContact CD2-CD2 3.74Å; F387-Y466 HydrophobicContact CD2-CD2 3.74Å; F387-Y466 HydrophobicContact CD2-CE1 4.26Å; F387-Y466 AromaticContact CD2-CE2 3.78Å; F387-Y466 HydrophobicContact CD2-CE2 3.78Å; F387-Y466 AromaticContact CD2-CG 3.93Å; F387-Y466 HydrophobicContact CD2-CG 3.93Å; F387-Y466 HydrophobicContact CE2-CD2 4.35Å; F387-Y466 AromaticContact CE2-CE2 3.93Å; F387-Y466 HydrophobicContact CE2-CE2 3.93Å; F387-R467 PolarHBondContact O-NE 2.87Å; F387-R467 PolarHBondContact O-NH2 2.9Å
388	Q	97.9	Very high	96.4	Very high	56 Å²	56	42.6 Å²	42.6	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-70	-42.4	-174	-65.6	-54.3	-66.1	0	0	113.3	Q384 L385 Y386 P390 Y466 R467	Q384-Q388 WeakPolarHBondContact O-CG 3.41Å; Q384-Q388 PolarHBondContact O-NE2 2.99Å; L385-Q388 WeakPolarHBondContact O-CB 3.39Å; L385-Q388 WeakPolarHBondContact O-CG 3.5Å; L385-Q388 PolarHBondContact O-N 3.27Å; L385-Q388 VanDerWaalsContact O-N 3.13Å; Y386-Q388 VanDerWaalsContact C-N 3.28Å; Y386-Q388 PolarHBondContact O-N 3.28Å; Q388-P390 VanDerWaalsContact O-CD 3.24Å; Q388-P390 WeakPolarHBondContact O-CD 3.47Å; Q388-Y466 PolarHBondContact NE2-O 3.12Å; Q388-R467 PolarHBondContact O-NE 3.22Å
389	E	98	Very high	96.8	Very high	126 Å²	126	47.4 Å²	47.4	59%	0.589	26%	0.264	S	S	*	.	S	Bend	trans	-73.6	116.9	-174.9	-172.1	61.5	-151.6	0	0	110.7	G391 V392 R467	E389-G391 PolarHBondContact O-N 3.47Å; E389-V392 HydrophobicContact CB-CB 4.32Å; E389-V392 HydrophobicContact CB-CG2 3.83Å; E389-V392 HydrophobicContact CG-CG2 3.57Å; E389-V392 PolarHBondContact O-N 2.88Å; E389-R467 PolarHBondContact O-NH2 3.27Å
390	P	98.5	Very high	97.2	Very high	67 Å²	67	46.2 Å²	46.2	44%	0.435	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	127.7	-179.9	-23.7	36.1	0	0	0	112.7	I305 Q388	I305-P390 HydrophobicContact CD1-CG 4.2Å; Q388-P390 VanDerWaalsContact O-CD 3.24Å; Q388-P390 WeakPolarHBondContact O-CD 3.47Å
391	G	98.2	Very high	97.6	Very high	39 Å²	39	45.2 Å²	45.2	40%	0.402	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-21.2	177.4	0	0	0	0	0	114.4	E389 E394 A395	E389-G391 PolarHBondContact O-N 3.47Å; G391-E394 VanDerWaalsContact CA-OE2 3.28Å; G391-E394 WeakPolarHBondContact CA-OE2 3.45Å; G391-E394 VanDerWaalsContact N-CD 3.33Å; G391-E394 PolarHBondContact N-OE2 3.37Å; G391-A395 VanDerWaalsContact O-CB 3.24Å; G391-A395 WeakPolarHBondContact O-CB 3.39Å; G391-A395 PolarHBondContact O-N 2.66Å; G391-A395 VanDerWaalsContact O-N 3.12Å
392	V	98.4	Very high	97.9	Very high	63 Å²	63	45.3 Å²	45.3	38%	0.382	25%	0.25	S	C	.	.	H	α-helix	trans	-71.9	-59.3	-178.2	174.7	0	0	0	0	110.9	Y386 E389 A395 E396	Y386-V392 HydrophobicContact CD2-CG1 4.41Å; Y386-V392 HydrophobicContact CE2-CG1 3.6Å; E389-V392 HydrophobicContact CB-CB 4.32Å; E389-V392 HydrophobicContact CB-CG2 3.83Å; E389-V392 HydrophobicContact CG-CG2 3.57Å; E389-V392 PolarHBondContact O-N 2.88Å; V392-A395 PolarHBondContact O-N 2.91Å; V392-E396 PolarHBondContact O-N 3.47Å
393	A	98.4	Very high	98.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.9	-32.3	180	0	0	0	0	0	111.8	Y386 F387 A395 E396 L397 L463	Y386-A393 HydrophobicContact CD1-CB 4.21Å; Y386-A393 HydrophobicContact CE1-CB 3.78Å; F387-A393 HydrophobicContact CD1-CB 3.61Å; F387-A393 HydrophobicContact CE1-CB 4.05Å; A393-A395 VanDerWaalsContact C-N 3.33Å; A393-A395 PolarHBondContact O-N 2.97Å; A393-E396 PolarHBondContact O-N 3.23Å; A393-L397 HydrophobicContact CB-CD1 4.38Å; A393-L397 VanDerWaalsContact O-CB 3.29Å; A393-L397 WeakPolarHBondContact O-CB 3.31Å; A393-L397 WeakPolarHBondContact O-CD1 3.28Å; A393-L397 WeakPolarHBondContact O-CG 3.14Å; A393-L397 PolarHBondContact O-N 3.39Å; A393-L463 HydrophobicContact CB-CD1 3.75Å; A393-L463 HydrophobicContact CB-CD2 3.91Å
394	E	98.8	Very high	98.2	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	24%	0.241	C	C	.	.	H	α-helix	trans	-54.7	-50.4	170.5	-71.2	86.8	154.8	0	0	110.9	G391 E396 L397 E398 F459 R460 L463 R467	G391-E394 VanDerWaalsContact CA-OE2 3.28Å; G391-E394 WeakPolarHBondContact CA-OE2 3.45Å; G391-E394 VanDerWaalsContact N-CD 3.33Å; G391-E394 PolarHBondContact N-OE2 3.37Å; E394-E396 VanDerWaalsContact C-N 3.35Å; E394-E396 PolarHBondContact O-N 3.26Å; E394-L397 PolarHBondContact O-N 2.99Å; E394-E398 WeakPolarHBondContact O-CB 3.47Å; E394-E398 VanDerWaalsContact O-CG 3.23Å; E394-E398 WeakPolarHBondContact O-CG 3.42Å; E394-E398 PolarHBondContact O-N 2.83Å; E394-F459 HydrophobicContact CG-CB 4.49Å; E394-R460 HydrophobicContact CG-CB 4.14Å; E394-L463 HydrophobicContact CB-CD1 4.38Å; E394-L463 VanDerWaalsContact CD-CD1 3.43Å; E394-L463 HydrophobicContact CG-CD1 3.67Å; E394-L463 WeakPolarHBondContact OE2-CD1 3.31Å; E394-R467 IonicContact OE1-CZ 2.85Å; E394-R467 VanDerWaalsContact OE1-CZ 3.27Å; E394-R467 IonicContact OE1-NH1 2.71Å; E394-R467 PolarHBondContact OE1-NH1 2.98Å; E394-R467 IonicContact OE1-NH2 2.7Å; E394-R467 PolarHBondContact OE1-NH2 3.37Å; E394-R467 IonicContact OE2-CZ 2.91Å; E394-R467 IonicContact OE2-NH2 2.72Å; E394-R467 PolarHBondContact OE2-NH2 2.85Å
395	A	98.6	Very high	98.3	Very high	63 Å²	63	42.5 Å²	42.5	52%	0.521	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-42	-177.6	0	0	0	0	0	112.4	G391 V392 A393 Q399	G391-A395 VanDerWaalsContact O-CB 3.24Å; G391-A395 WeakPolarHBondContact O-CB 3.39Å; G391-A395 PolarHBondContact O-N 2.66Å; G391-A395 VanDerWaalsContact O-N 3.12Å; V392-A395 PolarHBondContact O-N 2.91Å; A393-A395 VanDerWaalsContact C-N 3.33Å; A393-A395 PolarHBondContact O-N 2.97Å; A395-Q399 WeakPolarHBondContact O-CB 3.49Å; A395-Q399 PolarHBondContact O-N 3.15Å
396	E	98.6	Very high	98.4	Very high	27 Å²	27	42.3 Å²	42.3	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-68.1	-48.6	177.3	-175.7	-179.8	-137	0	0	111.9	Y386 V392 A393 E394 E398 G427 L428 F429	Y386-E396 VanDerWaalsContact CE1-OE2 3.31Å; Y386-E396 WeakPolarHBondContact CE1-OE2 3.23Å; Y386-E396 PolarHBondContact OH-OE2 2.89Å; V392-E396 PolarHBondContact O-N 3.47Å; A393-E396 PolarHBondContact O-N 3.23Å; E394-E396 VanDerWaalsContact C-N 3.35Å; E394-E396 PolarHBondContact O-N 3.26Å; E396-E398 PolarHBondContact O-N 2.97Å; E396-G427 VanDerWaalsContact OE1-CA 3.32Å; E396-G427 WeakPolarHBondContact OE1-CA 3.29Å; E396-L428 VanDerWaalsContact CD-N 3.3Å; E396-L428 PolarHBondContact OE1-N 3.38Å; E396-L428 WeakPolarHBondContact OE2-CB 3.45Å; E396-L428 PolarHBondContact OE2-N 3.41Å; E396-F429 HydrophobicContact CG-CB 4.38Å; E396-F429 HydrophobicContact CG-CD2 3.7Å; E396-F429 HydrophobicContact CG-CE2 4.32Å; E396-F429 HydrophobicContact CG-CG 4.29Å; E396-F429 PolarHBondContact OE1-N 3.26Å
397	L	98.6	Very high	98.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-31.9	-174.6	-65.6	168.8	0	0	0	112.8	F267 F387 A393 E394 T404 L428 F429 F459 L463	F267-L397 HydrophobicContact CZ-CD1 4.13Å; F387-L397 HydrophobicContact CE1-CD1 4.47Å; A393-L397 HydrophobicContact CB-CD1 4.38Å; A393-L397 VanDerWaalsContact O-CB 3.29Å; A393-L397 WeakPolarHBondContact O-CB 3.31Å; A393-L397 WeakPolarHBondContact O-CD1 3.28Å; A393-L397 WeakPolarHBondContact O-CG 3.14Å; A393-L397 PolarHBondContact O-N 3.39Å; E394-L397 PolarHBondContact O-N 2.99Å; L397-T404 HydrophobicContact CB-CG2 4.39Å; L397-T404 HydrophobicContact CD2-CG2 3.8Å; L397-T404 PolarHBondContact O-OG1 2.68Å; L397-L428 HydrophobicContact CD2-CD1 4.15Å; L397-F429 HydrophobicContact CD2-CE2 3.74Å; L397-F429 HydrophobicContact CD2-CZ 3.56Å; L397-F459 HydrophobicContact CB-CB 4.41Å; L397-F459 HydrophobicContact CB-CD1 3.84Å; L397-F459 HydrophobicContact CB-CD2 3.81Å; L397-F459 HydrophobicContact CB-CE1 3.95Å; L397-F459 HydrophobicContact CB-CE2 3.93Å; L397-F459 HydrophobicContact CB-CG 3.75Å; L397-F459 HydrophobicContact CB-CZ 4.01Å; L397-F459 HydrophobicContact CD1-CB 4.34Å; L397-F459 HydrophobicContact CD1-CD1 3.51Å; L397-F459 HydrophobicContact CD1-CE1 3.96Å; L397-F459 HydrophobicContact CD1-CG 4.01Å; L397-F459 HydrophobicContact CD2-CE1 4.42Å; L397-F459 HydrophobicContact CG-CD1 4.22Å; L397-F459 HydrophobicContact CG-CE1 4.34Å; L397-L463 HydrophobicContact CD1-CD1 4.24Å; L397-L463 HydrophobicContact CD1-CD2 4.21Å; L397-L463 HydrophobicContact CD1-CG 4.48Å
398	E	98.7	Very high	98.4	Very high	83 Å²	83	41.9 Å²	41.9	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-86.8	-19	-178.7	-66.3	173.8	-163.7	0	0	113.3	E394 E396 N400 G458 F459	E394-E398 WeakPolarHBondContact O-CB 3.47Å; E394-E398 VanDerWaalsContact O-CG 3.23Å; E394-E398 WeakPolarHBondContact O-CG 3.42Å; E394-E398 PolarHBondContact O-N 2.83Å; E396-E398 PolarHBondContact O-N 2.97Å; E398-N400 VanDerWaalsContact C-N 3.26Å; E398-N400 PolarHBondContact O-N 2.97Å; E398-G458 WeakPolarHBondContact OE1-CA 3.49Å; E398-F459 HydrophobicContact CG-CB 4.39Å; E398-F459 HydrophobicContact CG-CD2 3.57Å; E398-F459 HydrophobicContact CG-CE2 4.36Å; E398-F459 HydrophobicContact CG-CG 4.43Å; E398-F459 PolarHBondContact OE1-N 2.99Å
399	Q	98.3	Very high	98.5	Very high	151 Å²	151	39.2 Å²	39.2	71%	0.706	22%	0.22	S	C	*	.	H	α-helix	trans	-54.7	-43.5	-178.1	-172.7	-172.2	3.3	0	0	112	A395	A395-Q399 WeakPolarHBondContact O-CB 3.49Å; A395-Q399 PolarHBondContact O-N 3.15Å
400	N	98.5	Very high	98.5	Very high	68 Å²	68	34.1 Å²	34.1	36%	0.364	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.6	91.5	175.8	-175.6	-17.8	0	0	0	110.4	E398 S402 R403 T404	E398-N400 VanDerWaalsContact C-N 3.26Å; E398-N400 PolarHBondContact O-N 2.97Å; N400-S402 PolarHBondContact O-N 3Å; N400-S402 PolarHBondContact OD1-N 3.14Å; N400-R403 HydrophobicContact CB-CB 3.9Å; N400-R403 WeakPolarHBondContact O-CB 3.18Å; N400-R403 PolarHBondContact O-N 3.44Å; N400-R403 VanDerWaalsContact O-N 3.1Å; N400-R403 PolarHBondContact OD1-N 3.05Å; N400-R403 VanDerWaalsContact OD1-N 3.08Å; N400-T404 PolarHBondContact O-N 3Å; N400-T404 PolarHBondContact O-OG1 3.26Å
401	L	98.7	Very high	98.4	Very high	21 Å²	21	31 Å²	31	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-55.2	-37.6	-179	-61.4	177	0	0	0	113.4	T404 F405 V451 F454 K455 F459	L401-T404 WeakPolarHBondContact O-CB 3.3Å; L401-T404 PolarHBondContact O-N 2.9Å; L401-F405 HydrophobicContact CB-CE2 4.39Å; L401-F405 WeakPolarHBondContact O-CD2 3.41Å; L401-F405 PolarHBondContact O-N 3.38Å; L401-V451 HydrophobicContact CB-CB 4.32Å; L401-V451 HydrophobicContact CB-CG1 4.02Å; L401-V451 HydrophobicContact CB-CG2 3.94Å; L401-V451 HydrophobicContact CD1-CG1 4.16Å; L401-F454 HydrophobicContact CD2-CB 4.25Å; L401-K455 HydrophobicContact CD1-CG 3.59Å; L401-F459 HydrophobicContact CD2-CD2 4.41Å; L401-F459 HydrophobicContact CD2-CE2 3.59Å
402	S	98.5	Very high	98.2	Very high	29 Å²	29	30.9 Å²	30.9	20%	0.203	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-46.3	178.8	-176	0	0	0	0	110.7	N400 T404 F405 K406	N400-S402 PolarHBondContact O-N 3Å; N400-S402 PolarHBondContact OD1-N 3.14Å; S402-T404 VanDerWaalsContact C-N 3.33Å; S402-T404 PolarHBondContact O-N 3.32Å; S402-F405 PolarHBondContact O-N 3.12Å; S402-K406 WeakPolarHBondContact O-CB 3.25Å; S402-K406 VanDerWaalsContact O-CG 3.29Å; S402-K406 WeakPolarHBondContact O-CG 3.23Å; S402-K406 PolarHBondContact O-N 2.87Å
403	R	98.5	Very high	98.1	Very high	19 Å²	19	33.1 Å²	33.1	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-44.4	173.4	179.7	-174.4	-179.9	-173.2	7.3	111.3	N400 K406 S407 F429 T432 P433 E434 P436	N400-R403 HydrophobicContact CB-CB 3.9Å; N400-R403 WeakPolarHBondContact O-CB 3.18Å; N400-R403 PolarHBondContact O-N 3.44Å; N400-R403 VanDerWaalsContact O-N 3.1Å; N400-R403 PolarHBondContact OD1-N 3.05Å; N400-R403 VanDerWaalsContact OD1-N 3.08Å; R403-K406 PolarHBondContact O-N 2.72Å; R403-S407 VanDerWaalsContact O-CB 3.23Å; R403-S407 WeakPolarHBondContact O-CB 3.5Å; R403-S407 PolarHBondContact O-N 3Å; R403-S407 PolarHBondContact O-OG 3.33Å; R403-F429 PolarHBondContact NH2-O 3.15Å; R403-F429 VanDerWaalsContact NH2-O 3.13Å; R403-T432 PolarHBondContact NH2-O 3.2Å; R403-T432 PolarHBondContact NH2-OG1 3.46Å; R403-P433 PolarHBondContact NE-O 2.84Å; R403-E434 VanDerWaalsContact CZ-CD 3.44Å; R403-E434 IonicContact CZ-OE1 2.62Å; R403-E434 IonicContact CZ-OE2 3.4Å; R403-E434 IonicContact NE-OE2 3.27Å; R403-E434 IonicContact NH1-OE1 3Å; R403-E434 PolarHBondContact NH1-OE1 2.82Å; R403-E434 IonicContact NH1-OE2 3.35Å; R403-E434 PolarHBondContact NH1-OE2 3.01Å; R403-E434 IonicContact NH2-OE1 2.7Å; R403-E434 PolarHBondContact NH2-OE1 3.33Å; R403-E434 VanDerWaalsContact NH2-OE1 3.11Å; R403-P436 HydrophobicContact CG-CG 4.1Å
404	T	98.7	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-55.3	-56.4	178.6	-64.3	0	0	0	0	111.2	L397 N400 L401 S402 S407 L408 F429 F459	L397-T404 HydrophobicContact CB-CG2 4.39Å; L397-T404 HydrophobicContact CD2-CG2 3.8Å; L397-T404 PolarHBondContact O-OG1 2.68Å; N400-T404 PolarHBondContact O-N 3Å; N400-T404 PolarHBondContact O-OG1 3.26Å; L401-T404 WeakPolarHBondContact O-CB 3.3Å; L401-T404 PolarHBondContact O-N 2.9Å; S402-T404 VanDerWaalsContact C-N 3.33Å; S402-T404 PolarHBondContact O-N 3.32Å; T404-S407 PolarHBondContact O-N 3.37Å; T404-L408 HydrophobicContact CG2-CD1 3.74Å; T404-L408 WeakPolarHBondContact O-CB 3.16Å; T404-L408 VanDerWaalsContact O-CG 3.26Å; T404-L408 WeakPolarHBondContact O-CG 3.41Å; T404-L408 PolarHBondContact O-N 3.02Å; T404-F429 HydrophobicContact CG2-CE2 4.25Å; T404-F429 HydrophobicContact CG2-CZ 3.99Å; T404-F429 WeakPolarHBondContact OG1-CE2 3.48Å; T404-F459 HydrophobicContact CG2-CE1 4.24Å; T404-F459 HydrophobicContact CG2-CE2 4.46Å; T404-F459 HydrophobicContact CG2-CZ 3.67Å
405	F	98.6	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.9	-35.9	-177.5	-66.5	-60.6	0	0	0	113.3	P268 L401 S402 S407 L408 F409 I447 Y450 V451 F454 F459	P268-F405 HydrophobicContact CG-CE1 4.45Å; L401-F405 HydrophobicContact CB-CE2 4.39Å; L401-F405 WeakPolarHBondContact O-CD2 3.41Å; L401-F405 PolarHBondContact O-N 3.38Å; S402-F405 PolarHBondContact O-N 3.12Å; F405-S407 VanDerWaalsContact C-N 3.3Å; F405-S407 PolarHBondContact O-N 2.75Å; F405-L408 PolarHBondContact O-N 2.75Å; F405-F409 HydrophobicContact CB-CD2 4.15Å; F405-F409 HydrophobicContact CB-CE2 4.11Å; F405-F409 HydrophobicContact CD1-CD2 4.26Å; F405-F409 HydrophobicContact CD1-CE1 4.45Å; F405-F409 AromaticContact CD1-CE2 3.47Å; F405-F409 HydrophobicContact CD1-CE2 3.47Å; F405-F409 VanDerWaalsContact CD1-CE2 3.47Å; F405-F409 AromaticContact CD1-CZ 3.59Å; F405-F409 HydrophobicContact CD1-CZ 3.59Å; F405-F409 HydrophobicContact CE1-CE2 4.29Å; F405-F409 HydrophobicContact CE1-CZ 4.09Å; F405-F409 HydrophobicContact CG-CE2 4.11Å; F405-F409 WeakPolarHBondContact O-CB 3.31Å; F405-F409 PolarHBondContact O-N 3.48Å; F405-I447 HydrophobicContact CB-CD1 3.82Å; F405-I447 HydrophobicContact CB-CG2 4.38Å; F405-Y450 HydrophobicContact CD1-CG 4.46Å; F405-V451 HydrophobicContact CD2-CG2 3.97Å; F405-F454 HydrophobicContact CE1-CD2 4.18Å; F405-F454 HydrophobicContact CE1-CE2 4.04Å; F405-F454 HydrophobicContact CE1-CZ 4.29Å; F405-F454 HydrophobicContact CE2-CB 4.13Å; F405-F454 HydrophobicContact CE2-CD2 4.09Å; F405-F454 HydrophobicContact CE2-CG 4.13Å; F405-F454 HydrophobicContact CZ-CB 4.01Å; F405-F454 AromaticContact CZ-CD1 3.97Å; F405-F454 HydrophobicContact CZ-CD1 3.97Å; F405-F454 AromaticContact CZ-CD2 3.36Å; F405-F454 HydrophobicContact CZ-CD2 3.36Å; F405-F454 HydrophobicContact CZ-CE1 4.23Å; F405-F454 AromaticContact CZ-CE2 3.67Å; F405-F454 HydrophobicContact CZ-CE2 3.67Å; F405-F454 AromaticContact CZ-CG 3.51Å; F405-F454 HydrophobicContact CZ-CG 3.51Å; F405-F454 HydrophobicContact CZ-CZ 4.09Å; F405-F459 HydrophobicContact CE1-CZ 4.38Å; F405-F459 AromaticContact CZ-CZ 3.92Å; F405-F459 HydrophobicContact CZ-CZ 3.92Å
406	K	98.5	Very high	97.3	Very high	34 Å²	34	36.1 Å²	36.1	15%	0.148	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-28.5	174.8	-70.7	-179.7	178.9	-174.3	0	113.4	S402 R403 R410 P436 E444 I447	S402-K406 WeakPolarHBondContact O-CB 3.25Å; S402-K406 VanDerWaalsContact O-CG 3.29Å; S402-K406 WeakPolarHBondContact O-CG 3.23Å; S402-K406 PolarHBondContact O-N 2.87Å; R403-K406 PolarHBondContact O-N 2.72Å; K406-R410 WeakPolarHBondContact O-CD 3.47Å; K406-R410 WeakPolarHBondContact O-CG 3.43Å; K406-R410 PolarHBondContact O-NH1 3.31Å; K406-P436 HydrophobicContact CB-CB 4.02Å; K406-P436 HydrophobicContact CB-CG 4.21Å; K406-E444 WeakPolarHBondContact CE-OE1 3.36Å; K406-E444 WeakPolarHBondContact CE-OE2 3.46Å; K406-E444 VanDerWaalsContact NZ-CD 3.32Å; K406-E444 IonicContact NZ-OE1 3.24Å; K406-E444 PolarHBondContact NZ-OE1 2.89Å; K406-E444 IonicContact NZ-OE2 2.85Å; K406-E444 PolarHBondContact NZ-OE2 3.47Å; K406-I447 HydrophobicContact CG-CD1 4.15Å; K406-I447 HydrophobicContact CG-CG1 4.13Å; K406-I447 HydrophobicContact CG-CG2 4.11Å
407	S	98.2	Very high	96.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-77.3	-39.1	175.2	-58.5	0	0	0	0	111.6	R403 T404 F405 R410 L417 P436	R403-S407 VanDerWaalsContact O-CB 3.23Å; R403-S407 WeakPolarHBondContact O-CB 3.5Å; R403-S407 PolarHBondContact O-N 3Å; R403-S407 PolarHBondContact O-OG 3.33Å; T404-S407 PolarHBondContact O-N 3.37Å; F405-S407 VanDerWaalsContact C-N 3.3Å; F405-S407 PolarHBondContact O-N 2.75Å; S407-R410 WeakPolarHBondContact O-CD 3.25Å; S407-R410 WeakPolarHBondContact O-CG 3.48Å; S407-L417 WeakPolarHBondContact O-CD1 3.42Å; S407-P436 WeakPolarHBondContact OG-CG 3.42Å
408	L	98.1	Very high	96.4	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.089	20%	0.198	C	C	.	.	H	α-helix	trans	-75.6	-58.8	-178.2	-70.7	169.9	0	0	0	112.1	P268 T404 F405 R410 L417 W525	P268-L408 HydrophobicContact CG-CD1 3.45Å; P268-L408 VanDerWaalsContact CG-CD1 3.45Å; T404-L408 HydrophobicContact CG2-CD1 3.74Å; T404-L408 WeakPolarHBondContact O-CB 3.16Å; T404-L408 VanDerWaalsContact O-CG 3.26Å; T404-L408 WeakPolarHBondContact O-CG 3.41Å; T404-L408 PolarHBondContact O-N 3.02Å; F405-L408 PolarHBondContact O-N 2.75Å; L408-R410 VanDerWaalsContact C-N 3.35Å; L408-R410 PolarHBondContact O-N 2.86Å; L408-L417 HydrophobicContact CD2-CD1 3.72Å; L408-L417 HydrophobicContact CG-CD1 4.35Å; L408-W525 HydrophobicContact CB-CZ2 3.94Å; L408-W525 PolarHBondContact O-NE1 2.93Å
409	F	98.3	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-77.5	80.3	-171.1	-58.3	-25.4	0	0	0	112	E269 F405 S439 V442 I447 Y450 W525	E269-F409 HydrophobicContact CG-CE1 4.43Å; F405-F409 HydrophobicContact CB-CD2 4.15Å; F405-F409 HydrophobicContact CB-CE2 4.11Å; F405-F409 HydrophobicContact CD1-CD2 4.26Å; F405-F409 HydrophobicContact CD1-CE1 4.45Å; F405-F409 AromaticContact CD1-CE2 3.47Å; F405-F409 HydrophobicContact CD1-CE2 3.47Å; F405-F409 VanDerWaalsContact CD1-CE2 3.47Å; F405-F409 AromaticContact CD1-CZ 3.59Å; F405-F409 HydrophobicContact CD1-CZ 3.59Å; F405-F409 HydrophobicContact CE1-CE2 4.29Å; F405-F409 HydrophobicContact CE1-CZ 4.09Å; F405-F409 HydrophobicContact CG-CE2 4.11Å; F405-F409 WeakPolarHBondContact O-CB 3.31Å; F405-F409 PolarHBondContact O-N 3.48Å; F409-S439 WeakPolarHBondContact O-CB 3.36Å; F409-V442 HydrophobicContact CB-CG1 4.34Å; F409-I447 HydrophobicContact CD2-CD1 4.11Å; F409-Y450 HydrophobicContact CD2-CD2 4.32Å; F409-Y450 HydrophobicContact CD2-CE2 4.33Å; F409-Y450 AromaticContact CE2-CD1 3.81Å; F409-Y450 HydrophobicContact CE2-CD1 3.81Å; F409-Y450 AromaticContact CE2-CD2 3.62Å; F409-Y450 HydrophobicContact CE2-CD2 3.62Å; F409-Y450 AromaticContact CE2-CE1 3.88Å; F409-Y450 HydrophobicContact CE2-CE1 3.88Å; F409-Y450 AromaticContact CE2-CE2 3.73Å; F409-Y450 HydrophobicContact CE2-CE2 3.73Å; F409-Y450 AromaticContact CE2-CG 3.68Å; F409-Y450 HydrophobicContact CE2-CG 3.68Å; F409-Y450 AromaticContact CE2-CZ 3.85Å; F409-Y450 AromaticContact CZ-CD1 4Å; F409-Y450 HydrophobicContact CZ-CD1 4Å; F409-Y450 AromaticContact CZ-CE1 3.93Å; F409-Y450 HydrophobicContact CZ-CE1 3.93Å; F409-Y450 HydrophobicContact CZ-CG 4.32Å; F409-W525 AromaticContact CD1-CD2 3.66Å; F409-W525 HydrophobicContact CD1-CD2 3.66Å; F409-W525 AromaticContact CD1-CE2 3.66Å; F409-W525 AromaticContact CD1-CE3 3.8Å; F409-W525 HydrophobicContact CD1-CE3 3.8Å; F409-W525 HydrophobicContact CD1-CG 4.3Å; F409-W525 AromaticContact CD1-CH2 3.96Å; F409-W525 HydrophobicContact CD1-CH2 3.96Å; F409-W525 AromaticContact CD1-CZ2 3.8Å; F409-W525 HydrophobicContact CD1-CZ2 3.8Å; F409-W525 AromaticContact CD1-CZ3 3.96Å; F409-W525 HydrophobicContact CD1-CZ3 3.96Å; F409-W525 HydrophobicContact CE1-CD2 4.16Å; F409-W525 AromaticContact CE1-CE3 3.81Å; F409-W525 HydrophobicContact CE1-CE3 3.81Å; F409-W525 AromaticContact CE1-CH2 3.75Å; F409-W525 HydrophobicContact CE1-CH2 3.75Å; F409-W525 HydrophobicContact CE1-CZ2 4.07Å; F409-W525 AromaticContact CE1-CZ3 3.61Å; F409-W525 HydrophobicContact CE1-CZ3 3.61Å
410	R	98.1	Very high	95.3	Very high	19 Å²	19	32.4 Å²	32.4	7%	0.072	18%	0.177	C	C	.	.			trans	-135.5	144.2	-175.6	-52.5	-170.5	71	76.5	1.8	111.2	K406 S407 L408 E414 S437 M441	K406-R410 WeakPolarHBondContact O-CD 3.47Å; K406-R410 WeakPolarHBondContact O-CG 3.43Å; K406-R410 PolarHBondContact O-NH1 3.31Å; S407-R410 WeakPolarHBondContact O-CD 3.25Å; S407-R410 WeakPolarHBondContact O-CG 3.48Å; L408-R410 VanDerWaalsContact C-N 3.35Å; L408-R410 PolarHBondContact O-N 2.86Å; R410-E414 HydrophobicContact CB-CB 4.14Å; R410-E414 PolarHBondContact NE-O 3.29Å; R410-E414 PolarHBondContact NH2-O 3.38Å; R410-S437 PolarHBondContact NH1-O 3.29Å; R410-S437 PolarHBondContact NH2-OG 2.93Å; R410-S437 VanDerWaalsContact NH2-OG 3.09Å; R410-M441 VanDerWaalsContact N-CE 3.34Å; R410-M441 WeakPolarHBondContact O-CE 3.48Å
411	A	97.2	Very high	94.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	18%	0.182	C	C	.	.			trans	-66.1	163.3	171.9	0	0	0	0	0	110.3	D413 E414 M441	A411-D413 VanDerWaalsContact C-N 3.27Å; A411-D413 PolarHBondContact O-N 2.98Å; A411-E414 HydrophobicContact CB-CG 4.21Å; A411-E414 PolarHBondContact N-OE2 3.13Å; A411-E414 PolarHBondContact O-N 3.33Å; A411-M441 HydrophobicContact CB-CG 4.24Å; A411-M441 HydrophobicContact CB-SD 4.02Å
412	S	94.6	Very high	94.6	Very high	36 Å²	36	33.4 Å²	33.4	25%	0.252	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.6	-172.8	50.4	0	0	0	0	114.7	E414 K495	S412-E414 VanDerWaalsContact C-N 3.33Å; S412-K495 VanDerWaalsContact CB-CB 3.44Å
413	D	95.3	Very high	94.3	Very high	110 Å²	110	34.8 Å²	34.8	59%	0.588	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.3	177.5	63.2	-39.2	0	0	0	113.5	A411 R440	A411-D413 VanDerWaalsContact C-N 3.27Å; A411-D413 PolarHBondContact O-N 2.98Å; D413-R440 VanDerWaalsContact CG-NH1 3.29Å; D413-R440 IonicContact OD1-CZ 3.49Å; D413-R440 IonicContact OD1-NH1 3.9Å; D413-R440 PolarHBondContact OD1-NH1 2.91Å; D413-R440 IonicContact OD1-NH2 3.42Å; D413-R440 PolarHBondContact OD1-NH2 3.46Å; D413-R440 IonicContact OD2-CZ 3.64Å; D413-R440 IonicContact OD2-NH1 3.18Å; D413-R440 PolarHBondContact OD2-NH1 3.37Å; D413-R440 IonicContact OD2-NH2 3.44Å; D413-R440 PolarHBondContact OD2-NH2 2.92Å
414	E	96.4	Very high	94	Very high	40 Å²	40	40.6 Å²	40.6	19%	0.187	21%	0.214	C	C	.	.	S	Bend	trans	-106.6	-3.3	-178.2	-65.5	175	167.5	0	0	112.5	R410 A411 S412 V416 S439 R440	R410-E414 HydrophobicContact CB-CB 4.14Å; R410-E414 PolarHBondContact NE-O 3.29Å; R410-E414 PolarHBondContact NH2-O 3.38Å; A411-E414 HydrophobicContact CB-CG 4.21Å; A411-E414 PolarHBondContact N-OE2 3.13Å; A411-E414 PolarHBondContact O-N 3.33Å; S412-E414 VanDerWaalsContact C-N 3.33Å; E414-V416 PolarHBondContact O-N 3.46Å; E414-S439 WeakPolarHBondContact OE2-CA 3.34Å; E414-S439 VanDerWaalsContact OE2-CB 3.25Å; E414-S439 WeakPolarHBondContact OE2-CB 3.33Å; E414-S439 PolarHBondContact OE2-OG 3.46Å; E414-R440 WeakPolarHBondContact OE1-CD 3.43Å; E414-R440 VanDerWaalsContact OE1-CG 3.25Å; E414-R440 WeakPolarHBondContact OE1-CG 3.3Å; E414-R440 IonicContact OE1-CZ 2.89Å; E414-R440 IonicContact OE1-NE 3.69Å; E414-R440 IonicContact OE1-NH1 3.11Å; E414-R440 PolarHBondContact OE1-NH1 3.31Å
415	S	91.8	Very high	93.7	Very high	57 Å²	57	42.4 Å²	42.4	40%	0.399	22%	0.223	S	C	.	.			trans	-54.1	132.4	-170.9	-173.7	0	0	0	0	113.1	L417	S415-L417 PolarHBondContact OG-N 3.3Å; S415-L417 PolarHBondContact OG-O 3.36Å
416	V	91.4	Very high	93.5	Very high	43 Å²	43	45 Å²	45	26%	0.261	25%	0.25	S	C	.	.			trans	-110.5	-2	170.2	-60.3	0	0	0	0	111.8	E414 T432	E414-V416 PolarHBondContact O-N 3.46Å; V416-T432 HydrophobicContact CG2-CG2 4.35Å; V416-T432 WeakPolarHBondContact O-CG2 3.44Å
417	L	90.2	Very high	93.3	Very high	19 Å²	19	43.4 Å²	43.4	10%	0.099	24%	0.243	C	C	.	.			trans	-104.3	147.6	-173.4	-71	170	0	0	0	111.6	S407 L408 S415 M419 L428 F429 T432	S407-L417 WeakPolarHBondContact O-CD1 3.42Å; L408-L417 HydrophobicContact CD2-CD1 3.72Å; L408-L417 HydrophobicContact CG-CD1 4.35Å; S415-L417 PolarHBondContact OG-N 3.3Å; S415-L417 PolarHBondContact OG-O 3.36Å; L417-M419 HydrophobicContact CB-CE 4.06Å; L417-M419 HydrophobicContact CD1-CE 3.79Å; L417-L428 WeakPolarHBondContact CD2-O 3.29Å; L417-F429 HydrophobicContact CD2-CD1 3.59Å; L417-F429 HydrophobicContact CD2-CE1 3.7Å; L417-T432 HydrophobicContact CD2-CG2 3.42Å; L417-T432 VanDerWaalsContact CD2-CG2 3.42Å; L417-T432 HydrophobicContact CG-CG2 4.28Å
418	S	88.2	Confident	93.1	Very high	30 Å²	30	43.6 Å²	43.6	21%	0.21	24%	0.243	C	C	.	.			trans	-114.6	115.9	166.9	172.4	0	0	0	0	108.9	H420 V422	S418-H420 VanDerWaalsContact C-N 3.3Å; S418-H420 PolarHBondContact OG-CE1 3.02Å; S418-H420 PolarHBondContact OG-ND1 2.79Å; S418-H420 PolarHBondContact OG-NE2 3.18Å; S418-H420 PolarHBondContact OG-O 3.42Å; S418-V422 WeakPolarHBondContact O-CG2 3.44Å
419	M	87.3	Confident	93	Very high	30 Å²	30	43.1 Å²	43.1	15%	0.148	24%	0.241	C	C	.	.			trans	-85.3	-5.5	176	-58.3	-57.7	178.3	0	0	113.2	Y383 L417 L428 F497 V498	Y383-M419 HydrophobicContact CD1-CB 4.12Å; L417-M419 HydrophobicContact CB-CE 4.06Å; L417-M419 HydrophobicContact CD1-CE 3.79Å; M419-L428 HydrophobicContact SD-CD2 4.01Å; M419-F497 HydrophobicContact CB-CE2 4Å; M419-F497 HydrophobicContact CG-CE2 3.51Å; M419-F497 HydrophobicContact CG-CZ 3.98Å; M419-V498 HydrophobicContact CB-CG2 4.28Å; M419-V498 HydrophobicContact CG-CG2 4.14Å
420	H	86.6	Confident	92.7	Very high	106 Å²	106	47.1 Å²	47.1	49%	0.491	27%	0.265	S	S	.	.	S	Bend	trans	-95.3	147.2	173.5	68.8	-88.3	0	0	0	110.4	S418 V422 M425	S418-H420 VanDerWaalsContact C-N 3.3Å; S418-H420 PolarHBondContact OG-CE1 3.02Å; S418-H420 PolarHBondContact OG-ND1 2.79Å; S418-H420 PolarHBondContact OG-NE2 3.18Å; S418-H420 PolarHBondContact OG-O 3.42Å; H420-V422 PolarHBondContact O-N 3.02Å; H420-M425 WeakPolarHBondContact O-CE 3.36Å
421	K	90.5	Very high	92.4	Very high	109 Å²	109	55.9 Å²	55.9	47%	0.474	30%	0.298	S	S	.	.	S	Bend	trans	56.2	28.4	175.3	-63.5	178	158.3	-123.3	0	114.2	D382 C423 E424 M425	D382-K421 WeakPolarHBondContact OD2-CA 3.37Å; D382-K421 PolarHBondContact OD2-N 3.35Å; K421-C423 VanDerWaalsContact C-N 3.29Å; K421-C423 PolarHBondContact O-N 3.18Å; K421-E424 HydrophobicContact CB-CB 4.2Å; K421-E424 WeakPolarHBondContact CD-OE2 3.28Å; K421-E424 WeakPolarHBondContact CE-OE2 3.27Å; K421-E424 IonicContact NZ-OE1 3.01Å; K421-E424 IonicContact NZ-OE2 2.75Å; K421-E424 PolarHBondContact NZ-OE2 2.79Å; K421-E424 PolarHBondContact O-N 3.01Å; K421-M425 VanDerWaalsContact O-CG 3.31Å; K421-M425 WeakPolarHBondContact O-CG 3.45Å; K421-M425 PolarHBondContact O-N 2.81Å
422	V	92.8	Very high	92.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-42.4	178.2	-179.2	0	0	0	0	110.8	D382 Y386 S418 H420 E424 M425 G426 G427 L428	D382-V422 PolarHBondContact OD2-N 3.39Å; Y386-V422 HydrophobicContact CD1-CG1 3.79Å; Y386-V422 HydrophobicContact CD2-CG1 4.23Å; Y386-V422 HydrophobicContact CG-CG1 3.66Å; S418-V422 WeakPolarHBondContact O-CG2 3.44Å; H420-V422 PolarHBondContact O-N 3.02Å; V422-E424 PolarHBondContact O-N 2.8Å; V422-M425 HydrophobicContact CG2-CE 4.3Å; V422-M425 PolarHBondContact O-N 3.11Å; V422-G426 PolarHBondContact O-N 3.29Å; V422-G427 PolarHBondContact O-N 2.92Å; V422-L428 HydrophobicContact CG1-CD2 3.79Å; V422-L428 HydrophobicContact CG1-CG 3.92Å; V422-L428 HydrophobicContact CG2-CD2 3.89Å
423	C	90.8	Very high	92.2	Very high	58 Å²	58	57.7 Å²	57.7	39%	0.392	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.4	-70.2	0	0	0	0	112.2	D382 Y386 K421 G426	D382-C423 PolarHBondContact OD2-N 2.65Å; Y386-C423 PolarHBondContact N-SG 2.96Å; K421-C423 VanDerWaalsContact C-N 3.29Å; K421-C423 PolarHBondContact O-N 3.18Å; C423-G426 PolarHBondContact O-N 3.14Å
424	E	92.7	Very high	92.2	Very high	142 Å²	142	58 Å²	58	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-67.1	-38.2	178.2	-171.4	-173.5	160.7	0	0	111.4	K421 V422 G426	K421-E424 HydrophobicContact CB-CB 4.2Å; K421-E424 WeakPolarHBondContact CD-OE2 3.28Å; K421-E424 WeakPolarHBondContact CE-OE2 3.27Å; K421-E424 IonicContact NZ-OE1 3.01Å; K421-E424 IonicContact NZ-OE2 2.75Å; K421-E424 PolarHBondContact NZ-OE2 2.79Å; K421-E424 PolarHBondContact O-N 3.01Å; V422-E424 PolarHBondContact O-N 2.8Å; E424-G426 VanDerWaalsContact C-N 3.28Å; E424-G426 PolarHBondContact O-N 2.97Å
425	M	92.7	Very high	92.2	Very high	38 Å²	38	64.7 Å²	64.7	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-70.2	-25.4	176.2	-69.8	-174.3	-59.9	0	0	112.6	H420 K421 V422 V430 R431	H420-M425 WeakPolarHBondContact O-CE 3.36Å; K421-M425 VanDerWaalsContact O-CG 3.31Å; K421-M425 WeakPolarHBondContact O-CG 3.45Å; K421-M425 PolarHBondContact O-N 2.81Å; V422-M425 HydrophobicContact CG2-CE 4.3Å; V422-M425 PolarHBondContact O-N 3.11Å; M425-V430 HydrophobicContact CB-CB 4.49Å; M425-V430 WeakPolarHBondContact O-CG2 3.44Å; M425-R431 HydrophobicContact SD-CG 4.47Å
426	G	93.6	Very high	92.4	Very high	55 Å²	55	62.4 Å²	62.4	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	13.1	-178.8	0	0	0	0	0	114.7	V422 C423 E424	V422-G426 PolarHBondContact O-N 3.29Å; C423-G426 PolarHBondContact O-N 3.14Å; E424-G426 VanDerWaalsContact C-N 3.28Å; E424-G426 PolarHBondContact O-N 2.97Å
427	G	94.4	Very high	92.7	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	163.1	160.5	-179.7	0	0	0	0	0	113.2	E396 V422	E396-G427 VanDerWaalsContact OE1-CA 3.32Å; E396-G427 WeakPolarHBondContact OE1-CA 3.29Å; V422-G427 PolarHBondContact O-N 2.92Å
428	L	94.6	Very high	93.1	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	35%	0.349	C	S	.	.	S	Bend	trans	-68.7	-35.5	175.6	-77.2	171.1	0	0	0	112.2	Y386 F387 E396 L397 L417 M419 V422	Y386-L428 HydrophobicContact CD1-CG 4.26Å; Y386-L428 HydrophobicContact CE1-CG 4.29Å; F387-L428 HydrophobicContact CE1-CD1 3.49Å; F387-L428 VanDerWaalsContact CE1-CD1 3.49Å; F387-L428 HydrophobicContact CE1-CG 4.33Å; F387-L428 HydrophobicContact CZ-CD1 3.67Å; E396-L428 VanDerWaalsContact CD-N 3.3Å; E396-L428 PolarHBondContact OE1-N 3.38Å; E396-L428 WeakPolarHBondContact OE2-CB 3.45Å; E396-L428 PolarHBondContact OE2-N 3.41Å; L397-L428 HydrophobicContact CD2-CD1 4.15Å; L417-L428 WeakPolarHBondContact CD2-O 3.29Å; M419-L428 HydrophobicContact SD-CD2 4.01Å; V422-L428 HydrophobicContact CG1-CD2 3.79Å; V422-L428 HydrophobicContact CG1-CG 3.92Å; V422-L428 HydrophobicContact CG2-CD2 3.89Å
429	F	95.6	Very high	93.6	Very high	8 Å²	8	65.6 Å²	65.6	4%	0.035	34%	0.341	C	S	.	.	S	Bend	trans	-101.8	1.7	-167	-59.7	-26	0	0	0	113.9	E396 L397 R403 T404 L417 R431 T432	E396-F429 HydrophobicContact CG-CB 4.38Å; E396-F429 HydrophobicContact CG-CD2 3.7Å; E396-F429 HydrophobicContact CG-CE2 4.32Å; E396-F429 HydrophobicContact CG-CG 4.29Å; E396-F429 PolarHBondContact OE1-N 3.26Å; L397-F429 HydrophobicContact CD2-CE2 3.74Å; L397-F429 HydrophobicContact CD2-CZ 3.56Å; R403-F429 PolarHBondContact NH2-O 3.15Å; R403-F429 VanDerWaalsContact NH2-O 3.13Å; T404-F429 HydrophobicContact CG2-CE2 4.25Å; T404-F429 HydrophobicContact CG2-CZ 3.99Å; T404-F429 WeakPolarHBondContact OG1-CE2 3.48Å; L417-F429 HydrophobicContact CD2-CD1 3.59Å; L417-F429 HydrophobicContact CD2-CE1 3.7Å; F429-R431 PolarHBondContact O-N 3.11Å; F429-T432 VanDerWaalsContact CA-OG1 3.29Å; F429-T432 WeakPolarHBondContact CA-OG1 3.25Å; F429-T432 HydrophobicContact CB-CG2 4.41Å; F429-T432 VanDerWaalsContact CB-OG1 3.32Å; F429-T432 WeakPolarHBondContact CB-OG1 3.09Å; F429-T432 HydrophobicContact CD1-CG2 4.12Å; F429-T432 PolarHBondContact O-N 2.97Å; F429-T432 PolarHBondContact O-OG1 3Å
430	V	93.1	Very high	94	Very high	83 Å²	83	70.5 Å²	70.5	50%	0.503	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.9	-176.4	176.7	0	0	0	0	113.6	M425	M425-V430 HydrophobicContact CB-CB 4.49Å; M425-V430 WeakPolarHBondContact O-CG2 3.44Å
431	R	91.1	Very high	94.5	Very high	204 Å²	204	66.2 Å²	66.2	77%	0.77	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	15.9	179.9	-61.6	-175.5	-179.4	178.4	1.9	113.5	M425 F429	M425-R431 HydrophobicContact SD-CG 4.47Å; F429-R431 PolarHBondContact O-N 3.11Å
432	T	92.4	Very high	94.8	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.08	32%	0.318	C	S	.	.	S	Bend	trans	-97	150	179.9	65.7	0	0	0	0	111	R403 V416 L417 F429	R403-T432 PolarHBondContact NH2-O 3.2Å; R403-T432 PolarHBondContact NH2-OG1 3.46Å; V416-T432 HydrophobicContact CG2-CG2 4.35Å; V416-T432 WeakPolarHBondContact O-CG2 3.44Å; L417-T432 HydrophobicContact CD2-CG2 3.42Å; L417-T432 VanDerWaalsContact CD2-CG2 3.42Å; L417-T432 HydrophobicContact CG-CG2 4.28Å; F429-T432 VanDerWaalsContact CA-OG1 3.29Å; F429-T432 WeakPolarHBondContact CA-OG1 3.25Å; F429-T432 HydrophobicContact CB-CG2 4.41Å; F429-T432 VanDerWaalsContact CB-OG1 3.32Å; F429-T432 WeakPolarHBondContact CB-OG1 3.09Å; F429-T432 HydrophobicContact CD1-CG2 4.12Å; F429-T432 PolarHBondContact O-N 2.97Å; F429-T432 PolarHBondContact O-OG1 3Å
433	P	94.7	Very high	95	Very high	61 Å²	61	64.2 Å²	64.2	40%	0.396	34%	0.335	S	S	.	.			trans	-57.3	145.1	170.7	-22.2	33.3	0	0	0	112.1	R403 E435	R403-P433 PolarHBondContact NE-O 2.84Å; P433-E435 VanDerWaalsContact C-N 3.27Å
434	E	95.2	Very high	95.3	Very high	118 Å²	118	64.4 Å²	64.4	55%	0.551	33%	0.33	S	S	*	.	S	Bend	trans	-65.7	-33.1	170.9	-71.1	-59.6	143	0	0	111.8	R403 P436	R403-E434 VanDerWaalsContact CZ-CD 3.44Å; R403-E434 IonicContact CZ-OE1 2.62Å; R403-E434 IonicContact CZ-OE2 3.4Å; R403-E434 IonicContact NE-OE2 3.27Å; R403-E434 IonicContact NH1-OE1 3Å; R403-E434 PolarHBondContact NH1-OE1 2.82Å; R403-E434 IonicContact NH1-OE2 3.35Å; R403-E434 PolarHBondContact NH1-OE2 3.01Å; R403-E434 IonicContact NH2-OE1 2.7Å; R403-E434 PolarHBondContact NH2-OE1 3.33Å; R403-E434 VanDerWaalsContact NH2-OE1 3.11Å; E434-P436 WeakPolarHBondContact O-CD 3.24Å
435	E	96.2	Very high	95.6	Very high	179 Å²	179	64.1 Å²	64.1	84%	0.836	33%	0.329	S	S	*	.	S	Bend	trans	-122.8	81.3	175.3	-63.8	-174	164.8	0	0	110	P433	P433-E435 VanDerWaalsContact C-N 3.27Å
436	P	96.9	Very high	95.8	Very high	9 Å²	9	62.8 Å²	62.8	6%	0.058	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.1	144.4	176.8	-15.7	27	0	0	0	111.1	R403 K406 S407 E434	R403-P436 HydrophobicContact CG-CG 4.1Å; K406-P436 HydrophobicContact CB-CB 4.02Å; K406-P436 HydrophobicContact CB-CG 4.21Å; S407-P436 WeakPolarHBondContact OG-CG 3.42Å; E434-P436 WeakPolarHBondContact O-CD 3.24Å
437	S	97.4	Very high	96.1	Very high	77 Å²	77	60.2 Å²	60.2	54%	0.538	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-61.1	153.3	172.7	60.6	0	0	0	0	111.2	R410 S439	R410-S437 PolarHBondContact NH1-O 3.29Å; R410-S437 PolarHBondContact NH2-OG 2.93Å; R410-S437 VanDerWaalsContact NH2-OG 3.09Å; S437-S439 PolarHBondContact O-N 3.05Å
438	L	98	Very high	96.3	Very high	78 Å²	78	63.2 Å²	63.2	41%	0.408	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-69.8	129.2	173.3	-169	67.4	0	0	0	109.7	V442 I447	L438-V442 HydrophobicContact CD1-CG2 3.99Å; L438-V442 WeakPolarHBondContact CG-O 3.21Å; L438-I447 HydrophobicContact CD1-CG1 3.99Å
439	S	98.2	Very high	96.5	Very high	4 Å²	4	64.3 Å²	64.3	3%	0.028	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-70.1	151.4	174.8	171.1	0	0	0	0	110.7	F409 E414 S437 M441 V442	F409-S439 WeakPolarHBondContact O-CB 3.36Å; E414-S439 WeakPolarHBondContact OE2-CA 3.34Å; E414-S439 VanDerWaalsContact OE2-CB 3.25Å; E414-S439 WeakPolarHBondContact OE2-CB 3.33Å; E414-S439 PolarHBondContact OE2-OG 3.46Å; S437-S439 PolarHBondContact O-N 3.05Å; S439-M441 PolarHBondContact O-N 3.23Å; S439-M441 VanDerWaalsContact O-N 3.16Å; S439-M441 PolarHBondContact OG-N 3.07Å; S439-V442 PolarHBondContact O-N 2.65Å; S439-V442 VanDerWaalsContact O-O 3.07Å
440	R	96.4	Very high	96.6	Very high	134 Å²	134	63.9 Å²	63.9	51%	0.506	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.2	173.7	70.6	-175.4	174.5	-116.1	9.5	114.3	D413 E414	D413-R440 VanDerWaalsContact CG-NH1 3.29Å; D413-R440 IonicContact OD1-CZ 3.49Å; D413-R440 IonicContact OD1-NH1 3.9Å; D413-R440 PolarHBondContact OD1-NH1 2.91Å; D413-R440 IonicContact OD1-NH2 3.42Å; D413-R440 PolarHBondContact OD1-NH2 3.46Å; D413-R440 IonicContact OD2-CZ 3.64Å; D413-R440 IonicContact OD2-NH1 3.18Å; D413-R440 PolarHBondContact OD2-NH1 3.37Å; D413-R440 IonicContact OD2-NH2 3.44Å; D413-R440 PolarHBondContact OD2-NH2 2.92Å; E414-R440 WeakPolarHBondContact OE1-CD 3.43Å; E414-R440 VanDerWaalsContact OE1-CG 3.25Å; E414-R440 WeakPolarHBondContact OE1-CG 3.3Å; E414-R440 IonicContact OE1-CZ 2.89Å; E414-R440 IonicContact OE1-NE 3.69Å; E414-R440 IonicContact OE1-NH1 3.11Å; E414-R440 PolarHBondContact OE1-NH1 3.31Å
441	M	96.6	Very high	96.9	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.074	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-18.3	-177.9	-58.8	-172.3	-48.4	0	0	113.6	R410 A411 S439 W525 M528 D529	R410-M441 VanDerWaalsContact N-CE 3.34Å; R410-M441 WeakPolarHBondContact O-CE 3.48Å; A411-M441 HydrophobicContact CB-CG 4.24Å; A411-M441 HydrophobicContact CB-SD 4.02Å; S439-M441 PolarHBondContact O-N 3.23Å; S439-M441 VanDerWaalsContact O-N 3.16Å; S439-M441 PolarHBondContact OG-N 3.07Å; M441-W525 HydrophobicContact CE-CB 4.06Å; M441-W525 HydrophobicContact CE-CG 4.28Å; M441-M528 HydrophobicContact CE-CG 4.5Å; M441-D529 VanDerWaalsContact SD-CA 3.57Å; M441-D529 HydrophobicContact SD-CB 3.56Å; M441-D529 VanDerWaalsContact SD-CB 3.56Å
442	V	97.4	Very high	97.2	Very high	8 Å²	8	56 Å²	56	5%	0.048	28%	0.279	C	S	.	.			trans	-136	149.2	-169.6	-66.1	0	0	0	0	112.4	F409 L438 S439 E446 I447 M528	F409-V442 HydrophobicContact CB-CG1 4.34Å; L438-V442 HydrophobicContact CD1-CG2 3.99Å; L438-V442 WeakPolarHBondContact CG-O 3.21Å; S439-V442 PolarHBondContact O-N 2.65Å; S439-V442 VanDerWaalsContact O-O 3.07Å; V442-E446 WeakPolarHBondContact CA-OE2 3.49Å; V442-I447 HydrophobicContact CB-CG1 4.48Å; V442-I447 HydrophobicContact CG2-CD1 3.97Å; V442-I447 HydrophobicContact CG2-CG1 4.05Å; V442-M528 HydrophobicContact CG1-SD 3.84Å
443	T	97.3	Very high	97.5	Very high	59 Å²	59	55.9 Å²	55.9	36%	0.362	28%	0.278	S	S	.	.			trans	-93.2	167.3	167.9	84.3	0	0	0	0	111.6	E445 E446 I447	T443-E445 VanDerWaalsContact C-N 3.28Å; T443-E445 VanDerWaalsContact CB-OE2 3.22Å; T443-E445 WeakPolarHBondContact CB-OE2 3.34Å; T443-E445 PolarHBondContact O-N 3.25Å; T443-E445 PolarHBondContact OG1-N 2.93Å; T443-E445 PolarHBondContact OG1-OE2 3.48Å; T443-E446 PolarHBondContact N-OE2 3.28Å; T443-E446 PolarHBondContact O-N 2.92Å; T443-E446 WeakPolarHBondContact OG1-CG 3.49Å; T443-E446 PolarHBondContact OG1-N 3.26Å; T443-I447 PolarHBondContact O-N 2.92Å
444	E	97.9	Very high	97.7	Very high	62 Å²	62	53.2 Å²	53.2	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-39.1	175.4	-172.1	63.5	-145.6	0	0	110.9	K406 E446 I447 Q448	K406-E444 WeakPolarHBondContact CE-OE1 3.36Å; K406-E444 WeakPolarHBondContact CE-OE2 3.46Å; K406-E444 VanDerWaalsContact NZ-CD 3.32Å; K406-E444 IonicContact NZ-OE1 3.24Å; K406-E444 PolarHBondContact NZ-OE1 2.89Å; K406-E444 IonicContact NZ-OE2 2.85Å; K406-E444 PolarHBondContact NZ-OE2 3.47Å; E444-E446 VanDerWaalsContact C-N 3.3Å; E444-E446 PolarHBondContact O-N 2.9Å; E444-I447 PolarHBondContact O-N 2.92Å; E444-Q448 WeakPolarHBondContact O-CG 3.42Å; E444-Q448 PolarHBondContact O-N 3.23Å; E444-Q448 PolarHBondContact OE1-NE2 3.43Å
445	E	97.5	Very high	97.9	Very high	137 Å²	137	54.7 Å²	54.7	64%	0.64	26%	0.264	S	S	*	.	H	α-helix	trans	-61.7	-39.9	177.3	-58.8	72.4	-156.4	0	0	111.4	T443 Q448 F449	T443-E445 VanDerWaalsContact C-N 3.28Å; T443-E445 VanDerWaalsContact CB-OE2 3.22Å; T443-E445 WeakPolarHBondContact CB-OE2 3.34Å; T443-E445 PolarHBondContact O-N 3.25Å; T443-E445 PolarHBondContact OG1-N 2.93Å; T443-E445 PolarHBondContact OG1-OE2 3.48Å; E445-Q448 PolarHBondContact O-N 3.34Å; E445-F449 PolarHBondContact O-N 2.94Å
446	E	98.1	Very high	98	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-43.9	174.9	-65.3	-179.9	150.3	0	0	111.2	Y272 R275 V442 T443 E444 Q448 F449 Y450	Y272-E446 HydrophobicContact CE1-CB 4.14Å; Y272-E446 HydrophobicContact CE1-CG 3.98Å; R275-E446 IonicContact CZ-OE1 3.61Å; R275-E446 IonicContact CZ-OE2 3.76Å; R275-E446 VanDerWaalsContact NE-CD 3.31Å; R275-E446 IonicContact NE-OE1 3.76Å; R275-E446 PolarHBondContact NE-OE1 2.92Å; R275-E446 IonicContact NE-OE2 3.94Å; R275-E446 VanDerWaalsContact NH2-CD 3.34Å; R275-E446 IonicContact NH2-OE1 2.77Å; R275-E446 PolarHBondContact NH2-OE1 3.47Å; R275-E446 IonicContact NH2-OE2 3.53Å; R275-E446 PolarHBondContact NH2-OE2 2.94Å; V442-E446 WeakPolarHBondContact CA-OE2 3.49Å; T443-E446 PolarHBondContact N-OE2 3.28Å; T443-E446 PolarHBondContact O-N 2.92Å; T443-E446 WeakPolarHBondContact OG1-CG 3.49Å; T443-E446 PolarHBondContact OG1-N 3.26Å; E444-E446 VanDerWaalsContact C-N 3.3Å; E444-E446 PolarHBondContact O-N 2.9Å; E446-Q448 VanDerWaalsContact C-N 3.32Å; E446-Q448 PolarHBondContact O-N 3.03Å; E446-F449 WeakPolarHBondContact O-CB 3.37Å; E446-F449 PolarHBondContact O-N 2.91Å; E446-Y450 WeakPolarHBondContact O-CD2 3.36Å; E446-Y450 PolarHBondContact O-N 3.42Å
447	I	98.6	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-45.3	172.5	-69.3	-65.4	0	0	0	111	F405 K406 F409 L438 V442 T443 E444 F449 Y450 V451	F405-I447 HydrophobicContact CB-CD1 3.82Å; F405-I447 HydrophobicContact CB-CG2 4.38Å; K406-I447 HydrophobicContact CG-CD1 4.15Å; K406-I447 HydrophobicContact CG-CG1 4.13Å; K406-I447 HydrophobicContact CG-CG2 4.11Å; F409-I447 HydrophobicContact CD2-CD1 4.11Å; L438-I447 HydrophobicContact CD1-CG1 3.99Å; V442-I447 HydrophobicContact CB-CG1 4.48Å; V442-I447 HydrophobicContact CG2-CD1 3.97Å; V442-I447 HydrophobicContact CG2-CG1 4.05Å; T443-I447 PolarHBondContact O-N 2.92Å; E444-I447 PolarHBondContact O-N 2.92Å; I447-F449 PolarHBondContact O-N 3.01Å; I447-Y450 PolarHBondContact O-N 3.01Å; I447-Y450 VanDerWaalsContact O-N 3.14Å; I447-V451 HydrophobicContact CG2-CG2 4.26Å; I447-V451 WeakPolarHBondContact O-CG2 3.36Å; I447-V451 PolarHBondContact O-N 2.77Å
448	Q	98.6	Very high	98.1	Very high	64 Å²	64	49.7 Å²	49.7	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-30.7	179.1	-68.4	-51.3	-45.3	0	0	112.5	E444 E445 E446 V451 Q452	E444-Q448 WeakPolarHBondContact O-CG 3.42Å; E444-Q448 PolarHBondContact O-N 3.23Å; E444-Q448 PolarHBondContact OE1-NE2 3.43Å; E445-Q448 PolarHBondContact O-N 3.34Å; E446-Q448 VanDerWaalsContact C-N 3.32Å; E446-Q448 PolarHBondContact O-N 3.03Å; Q448-V451 PolarHBondContact O-N 2.95Å; Q448-Q452 WeakPolarHBondContact O-CB 3.4Å; Q448-Q452 WeakPolarHBondContact O-CG 3.05Å; Q448-Q452 PolarHBondContact O-N 2.97Å
449	F	98.6	Very high	98.1	Very high	27 Å²	27	46 Å²	46	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-52.3	170.7	175.2	-86.7	0	0	0	111.2	P234 W271 Y272 E445 E446 I447 V451 Q452 Q453	P234-F449 HydrophobicContact CB-CD2 4.35Å; P234-F449 HydrophobicContact CB-CE2 3.9Å; P234-F449 HydrophobicContact CG-CD2 3.68Å; P234-F449 HydrophobicContact CG-CE2 3.57Å; W271-F449 AromaticContact CE2-CZ 3.97Å; W271-F449 HydrophobicContact CZ2-CE2 4.3Å; W271-F449 HydrophobicContact CZ2-CZ 4.04Å; W271-F449 AromaticContact NE1-CZ 3.69Å; Y272-F449 HydrophobicContact CD1-CB 4.43Å; Y272-F449 AromaticContact CD1-CD1 3.41Å; Y272-F449 HydrophobicContact CD1-CD1 3.41Å; Y272-F449 VanDerWaalsContact CD1-CD1 3.41Å; Y272-F449 AromaticContact CD1-CE1 3.82Å; Y272-F449 HydrophobicContact CD1-CE1 3.82Å; Y272-F449 AromaticContact CD1-CG 3.93Å; Y272-F449 HydrophobicContact CD1-CG 3.93Å; Y272-F449 HydrophobicContact CD2-CD1 4.48Å; Y272-F449 HydrophobicContact CD2-CE1 4.31Å; Y272-F449 HydrophobicContact CD2-CZ 4.34Å; Y272-F449 HydrophobicContact CE1-CB 4.34Å; Y272-F449 HydrophobicContact CE1-CD1 4.13Å; Y272-F449 HydrophobicContact CE1-CG 4.21Å; Y272-F449 AromaticContact CG-CD1 3.63Å; Y272-F449 HydrophobicContact CG-CD1 3.63Å; Y272-F449 AromaticContact CG-CE1 3.52Å; Y272-F449 HydrophobicContact CG-CE1 3.52Å; Y272-F449 HydrophobicContact CG-CG 4.22Å; Y272-F449 AromaticContact CG-CZ 3.98Å; Y272-F449 HydrophobicContact CG-CZ 3.98Å; E445-F449 PolarHBondContact O-N 2.94Å; E446-F449 WeakPolarHBondContact O-CB 3.37Å; E446-F449 PolarHBondContact O-N 2.91Å; I447-F449 PolarHBondContact O-N 3.01Å; F449-V451 VanDerWaalsContact C-N 3.34Å; F449-V451 PolarHBondContact O-N 3.47Å; F449-Q452 PolarHBondContact O-N 2.93Å; F449-Q452 VanDerWaalsContact O-N 3.15Å; F449-Q453 HydrophobicContact CD1-CG 4.1Å; F449-Q453 HydrophobicContact CE1-CG 3.58Å; F449-Q453 HydrophobicContact CE2-CG 4.24Å; F449-Q453 HydrophobicContact CZ-CG 3.68Å; F449-Q453 WeakPolarHBondContact O-CG 3.49Å; F449-Q453 PolarHBondContact O-N 3.4Å
450	Y	98.8	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-41.2	178.4	-68.5	-86.3	0	0	0	111.8	Y272 S273 R275 F405 F409 E446 I447 Q452 Q453 F454	Y272-Y450 AromaticContact CD1-CE2 3.91Å; Y272-Y450 HydrophobicContact CD1-CE2 3.91Å; S273-Y450 VanDerWaalsContact CA-OH 3.3Å; S273-Y450 WeakPolarHBondContact CA-OH 3.33Å; S273-Y450 PolarHBondContact N-OH 3.47Å; S273-Y450 PolarHBondContact OG-OH 3.37Å; R275-Y450 PolarHBondContact NH1-OH 3.48Å; F405-Y450 HydrophobicContact CD1-CG 4.46Å; F409-Y450 HydrophobicContact CD2-CD2 4.32Å; F409-Y450 HydrophobicContact CD2-CE2 4.33Å; F409-Y450 AromaticContact CE2-CD1 3.81Å; F409-Y450 HydrophobicContact CE2-CD1 3.81Å; F409-Y450 AromaticContact CE2-CD2 3.62Å; F409-Y450 HydrophobicContact CE2-CD2 3.62Å; F409-Y450 AromaticContact CE2-CE1 3.88Å; F409-Y450 HydrophobicContact CE2-CE1 3.88Å; F409-Y450 AromaticContact CE2-CE2 3.73Å; F409-Y450 HydrophobicContact CE2-CE2 3.73Å; F409-Y450 AromaticContact CE2-CG 3.68Å; F409-Y450 HydrophobicContact CE2-CG 3.68Å; F409-Y450 AromaticContact CE2-CZ 3.85Å; F409-Y450 AromaticContact CZ-CD1 4Å; F409-Y450 HydrophobicContact CZ-CD1 4Å; F409-Y450 AromaticContact CZ-CE1 3.93Å; F409-Y450 HydrophobicContact CZ-CE1 3.93Å; F409-Y450 HydrophobicContact CZ-CG 4.32Å; E446-Y450 WeakPolarHBondContact O-CD2 3.36Å; E446-Y450 PolarHBondContact O-N 3.42Å; I447-Y450 PolarHBondContact O-N 3.01Å; I447-Y450 VanDerWaalsContact O-N 3.14Å; Y450-Q452 VanDerWaalsContact C-N 3.32Å; Y450-Q452 PolarHBondContact O-N 3.39Å; Y450-Q453 PolarHBondContact O-N 3.23Å; Y450-F454 WeakPolarHBondContact O-CD2 3.41Å; Y450-F454 PolarHBondContact O-N 2.95Å
451	V	98.8	Very high	98.2	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-55.7	-46.7	173.6	170.1	0	0	0	0	111.1	L401 F405 I447 Q448 F449 F454 K455	L401-V451 HydrophobicContact CB-CB 4.32Å; L401-V451 HydrophobicContact CB-CG1 4.02Å; L401-V451 HydrophobicContact CB-CG2 3.94Å; L401-V451 HydrophobicContact CD1-CG1 4.16Å; F405-V451 HydrophobicContact CD2-CG2 3.97Å; I447-V451 HydrophobicContact CG2-CG2 4.26Å; I447-V451 WeakPolarHBondContact O-CG2 3.36Å; I447-V451 PolarHBondContact O-N 2.77Å; Q448-V451 PolarHBondContact O-N 2.95Å; F449-V451 VanDerWaalsContact C-N 3.34Å; F449-V451 PolarHBondContact O-N 3.47Å; V451-F454 PolarHBondContact O-N 2.93Å; V451-K455 HydrophobicContact CG1-CD 4.42Å; V451-K455 WeakPolarHBondContact O-CG 3.33Å; V451-K455 PolarHBondContact O-N 3.35Å; V451-K455 VanDerWaalsContact O-N 3.09Å
452	Q	98.6	Very high	98.3	Very high	115 Å²	115	44.6 Å²	44.6	54%	0.537	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-38.9	179.3	-72.9	171.7	35.3	0	0	112.5	Q448 F449 Y450	Q448-Q452 WeakPolarHBondContact O-CB 3.4Å; Q448-Q452 WeakPolarHBondContact O-CG 3.05Å; Q448-Q452 PolarHBondContact O-N 2.97Å; F449-Q452 PolarHBondContact O-N 2.93Å; F449-Q452 VanDerWaalsContact O-N 3.15Å; Y450-Q452 VanDerWaalsContact C-N 3.32Å; Y450-Q452 PolarHBondContact O-N 3.39Å
453	Q	98.4	Very high	98.4	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-45	178	-67	-62.8	84.6	0	0	111.6	F449 Y450 K455 K456	F449-Q453 HydrophobicContact CD1-CG 4.1Å; F449-Q453 HydrophobicContact CE1-CG 3.58Å; F449-Q453 HydrophobicContact CE2-CG 4.24Å; F449-Q453 HydrophobicContact CZ-CG 3.68Å; F449-Q453 WeakPolarHBondContact O-CG 3.49Å; F449-Q453 PolarHBondContact O-N 3.4Å; Y450-Q453 PolarHBondContact O-N 3.23Å; Q453-K455 VanDerWaalsContact C-N 3.33Å; Q453-K455 PolarHBondContact O-N 3.27Å; Q453-K456 WeakPolarHBondContact O-CB 3.14Å; Q453-K456 PolarHBondContact O-N 3.45Å
454	F	98.6	Very high	98.5	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-78.1	-14.9	-177.6	-80.4	-108.9	0	0	0	113.9	P268 E269 Y296 L401 F405 Y450 V451 K456 G458 F459 P462	P268-F454 HydrophobicContact CB-CE1 3.83Å; P268-F454 HydrophobicContact CB-CZ 3.8Å; E269-F454 VanDerWaalsContact O-CE2 3.29Å; E269-F454 WeakPolarHBondContact O-CE2 3.32Å; E269-F454 WeakPolarHBondContact O-CZ 3.35Å; Y296-F454 HydrophobicContact CD1-CE1 4.21Å; Y296-F454 HydrophobicContact CD1-CE2 4.4Å; Y296-F454 AromaticContact CD1-CZ 3.65Å; Y296-F454 HydrophobicContact CD1-CZ 3.65Å; Y296-F454 HydrophobicContact CE1-CE1 4.34Å; Y296-F454 AromaticContact CE1-CZ 3.94Å; Y296-F454 HydrophobicContact CE1-CZ 3.94Å; L401-F454 HydrophobicContact CD2-CB 4.25Å; F405-F454 HydrophobicContact CE1-CD2 4.18Å; F405-F454 HydrophobicContact CE1-CE2 4.04Å; F405-F454 HydrophobicContact CE1-CZ 4.29Å; F405-F454 HydrophobicContact CE2-CB 4.13Å; F405-F454 HydrophobicContact CE2-CD2 4.09Å; F405-F454 HydrophobicContact CE2-CG 4.13Å; F405-F454 HydrophobicContact CZ-CB 4.01Å; F405-F454 AromaticContact CZ-CD1 3.97Å; F405-F454 HydrophobicContact CZ-CD1 3.97Å; F405-F454 AromaticContact CZ-CD2 3.36Å; F405-F454 HydrophobicContact CZ-CD2 3.36Å; F405-F454 HydrophobicContact CZ-CE1 4.23Å; F405-F454 AromaticContact CZ-CE2 3.67Å; F405-F454 HydrophobicContact CZ-CE2 3.67Å; F405-F454 AromaticContact CZ-CG 3.51Å; F405-F454 HydrophobicContact CZ-CG 3.51Å; F405-F454 HydrophobicContact CZ-CZ 4.09Å; Y450-F454 WeakPolarHBondContact O-CD2 3.41Å; Y450-F454 PolarHBondContact O-N 2.95Å; V451-F454 PolarHBondContact O-N 2.93Å; F454-K456 PolarHBondContact O-N 3.25Å; F454-G458 VanDerWaalsContact O-CA 3.26Å; F454-G458 WeakPolarHBondContact O-CA 3.36Å; F454-G458 PolarHBondContact O-N 2.83Å; F454-F459 HydrophobicContact CB-CE2 4.38Å; F454-F459 HydrophobicContact CD1-CD1 4.3Å; F454-F459 AromaticContact CD1-CD2 3.93Å; F454-F459 HydrophobicContact CD1-CD2 3.93Å; F454-F459 HydrophobicContact CD1-CE1 4Å; F454-F459 AromaticContact CD1-CE2 3.6Å; F454-F459 HydrophobicContact CD1-CE2 3.6Å; F454-F459 HydrophobicContact CD1-CG 4.29Å; F454-F459 AromaticContact CD1-CZ 3.63Å; F454-F459 HydrophobicContact CD1-CZ 3.63Å; F454-F459 HydrophobicContact CE1-CD1 4.11Å; F454-F459 AromaticContact CE1-CE1 3.82Å; F454-F459 HydrophobicContact CE1-CE1 3.82Å; F454-F459 HydrophobicContact CE1-CE2 4.27Å; F454-F459 HydrophobicContact CE1-CG 4.48Å; F454-F459 AromaticContact CE1-CZ 3.9Å; F454-F459 HydrophobicContact CE1-CZ 3.9Å; F454-F459 HydrophobicContact CG-CE2 4.32Å; F454-F459 HydrophobicContact CG-CZ 4.41Å; F454-P462 HydrophobicContact CE1-CG 3.99Å
455	K	98.5	Very high	98.5	Very high	149 Å²	149	38.6 Å²	38.6	65%	0.648	18%	0.178	S	C	*	.	H	α-helix	trans	-61.7	-22	166.5	-80.6	174.3	-179.5	176.1	0	113.4	L401 V451 Q453	L401-K455 HydrophobicContact CD1-CG 3.59Å; V451-K455 HydrophobicContact CG1-CD 4.42Å; V451-K455 WeakPolarHBondContact O-CG 3.33Å; V451-K455 PolarHBondContact O-N 3.35Å; V451-K455 VanDerWaalsContact O-N 3.09Å; Q453-K455 VanDerWaalsContact C-N 3.33Å; Q453-K455 PolarHBondContact O-N 3.27Å
456	K	97.9	Very high	98.6	Very high	117 Å²	117	32.2 Å²	32.2	51%	0.509	15%	0.148	S	C	.	.	H	α-helix	trans	-74.4	-45.3	-177.1	-65.5	171.8	176.3	166.1	0	112.4	G297 E298 Q453 F454	G297-K456 WeakPolarHBondContact O-CD 3.19Å; E298-K456 VanDerWaalsContact CG-NZ 3.28Å; E298-K456 IonicContact OE1-NZ 3.66Å; E298-K456 PolarHBondContact OE1-NZ 3.25Å; Q453-K456 WeakPolarHBondContact O-CB 3.14Å; Q453-K456 PolarHBondContact O-N 3.45Å; F454-K456 PolarHBondContact O-N 3.25Å
457	S	97.9	Very high	98.6	Very high	35 Å²	35	32.8 Å²	32.8	25%	0.245	15%	0.15	C	C	.	.	H	α-helix	trans	-133	-4	-171.1	54.2	0	0	0	0	115.2	G295	G295-S457 PolarHBondContact O-OG 3.12Å
458	G	98.5	Very high	98.6	Very high	9 Å²	9	32.9 Å²	32.9	9%	0.093	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-151.6	-177.4	0	0	0	0	0	113.1	E398 F454	E398-G458 WeakPolarHBondContact OE1-CA 3.49Å; F454-G458 VanDerWaalsContact O-CA 3.26Å; F454-G458 WeakPolarHBondContact O-CA 3.36Å; F454-G458 PolarHBondContact O-N 2.83Å
459	F	98.9	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-6.4	-174.5	-77.4	-100.4	0	0	0	113.7	F267 P268 E394 L397 E398 L401 T404 F405 F454 G461 P462 L463	F267-F459 HydrophobicContact CE2-CD1 4.3Å; F267-F459 HydrophobicContact CZ-CD1 4.21Å; P268-F459 HydrophobicContact CB-CD1 4.12Å; P268-F459 HydrophobicContact CB-CE1 3.49Å; P268-F459 VanDerWaalsContact CB-CE1 3.49Å; P268-F459 HydrophobicContact CB-CZ 4.4Å; P268-F459 HydrophobicContact CG-CE1 3.75Å; E394-F459 HydrophobicContact CG-CB 4.49Å; L397-F459 HydrophobicContact CB-CB 4.41Å; L397-F459 HydrophobicContact CB-CD1 3.84Å; L397-F459 HydrophobicContact CB-CD2 3.81Å; L397-F459 HydrophobicContact CB-CE1 3.95Å; L397-F459 HydrophobicContact CB-CE2 3.93Å; L397-F459 HydrophobicContact CB-CG 3.75Å; L397-F459 HydrophobicContact CB-CZ 4.01Å; L397-F459 HydrophobicContact CD1-CB 4.34Å; L397-F459 HydrophobicContact CD1-CD1 3.51Å; L397-F459 HydrophobicContact CD1-CE1 3.96Å; L397-F459 HydrophobicContact CD1-CG 4.01Å; L397-F459 HydrophobicContact CD2-CE1 4.42Å; L397-F459 HydrophobicContact CG-CD1 4.22Å; L397-F459 HydrophobicContact CG-CE1 4.34Å; E398-F459 HydrophobicContact CG-CB 4.39Å; E398-F459 HydrophobicContact CG-CD2 3.57Å; E398-F459 HydrophobicContact CG-CE2 4.36Å; E398-F459 HydrophobicContact CG-CG 4.43Å; E398-F459 PolarHBondContact OE1-N 2.99Å; L401-F459 HydrophobicContact CD2-CD2 4.41Å; L401-F459 HydrophobicContact CD2-CE2 3.59Å; T404-F459 HydrophobicContact CG2-CE1 4.24Å; T404-F459 HydrophobicContact CG2-CE2 4.46Å; T404-F459 HydrophobicContact CG2-CZ 3.67Å; F405-F459 HydrophobicContact CE1-CZ 4.38Å; F405-F459 AromaticContact CZ-CZ 3.92Å; F405-F459 HydrophobicContact CZ-CZ 3.92Å; F454-F459 HydrophobicContact CB-CE2 4.38Å; F454-F459 HydrophobicContact CD1-CD1 4.3Å; F454-F459 AromaticContact CD1-CD2 3.93Å; F454-F459 HydrophobicContact CD1-CD2 3.93Å; F454-F459 HydrophobicContact CD1-CE1 4Å; F454-F459 AromaticContact CD1-CE2 3.6Å; F454-F459 HydrophobicContact CD1-CE2 3.6Å; F454-F459 HydrophobicContact CD1-CG 4.29Å; F454-F459 AromaticContact CD1-CZ 3.63Å; F454-F459 HydrophobicContact CD1-CZ 3.63Å; F454-F459 HydrophobicContact CE1-CD1 4.11Å; F454-F459 AromaticContact CE1-CE1 3.82Å; F454-F459 HydrophobicContact CE1-CE1 3.82Å; F454-F459 HydrophobicContact CE1-CE2 4.27Å; F454-F459 HydrophobicContact CE1-CG 4.48Å; F454-F459 AromaticContact CE1-CZ 3.9Å; F454-F459 HydrophobicContact CE1-CZ 3.9Å; F454-F459 HydrophobicContact CG-CE2 4.32Å; F454-F459 HydrophobicContact CG-CZ 4.41Å; F459-G461 PolarHBondContact O-N 3.41Å; F459-P462 WeakPolarHBondContact O-CD 3.3Å; F459-L463 HydrophobicContact CB-CD1 3.85Å; F459-L463 HydrophobicContact CB-CG 4.28Å; F459-L463 VanDerWaalsContact O-CB 3.26Å; F459-L463 WeakPolarHBondContact O-CB 3.24Å; F459-L463 VanDerWaalsContact O-CG 3.3Å; F459-L463 WeakPolarHBondContact O-CG 3.48Å; F459-L463 PolarHBondContact O-N 3.39Å
460	R	98.8	Very high	98.4	Very high	122 Å²	122	33.6 Å²	33.6	46%	0.46	15%	0.154	S	C	.	.	H	α-helix	trans	-56.2	-53.6	-179.3	-178.4	173.9	178.6	146.1	1.3	112.9	P303 E394 L463 N464	P303-R460 PolarHBondContact O-NE 3.44Å; P303-R460 PolarHBondContact O-NH2 2.7Å; E394-R460 HydrophobicContact CG-CB 4.14Å; R460-L463 PolarHBondContact O-N 3.19Å; R460-N464 PolarHBondContact O-N 3.16Å; R460-N464 PolarHBondContact O-ND2 3.31Å; R460-N464 PolarHBondContact O-OD1 2.93Å
461	G	98.7	Very high	98.3	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-53.4	176.3	0	0	0	0	0	112.2	Y308 F459 L463 N464	Y308-G461 WeakPolarHBondContact CE1-O 3.38Å; Y308-G461 VanDerWaalsContact CZ-CA 3.48Å; Y308-G461 VanDerWaalsContact OH-CA 3.28Å; Y308-G461 WeakPolarHBondContact OH-CA 3.39Å; F459-G461 PolarHBondContact O-N 3.41Å; G461-L463 PolarHBondContact O-N 2.95Å; G461-N464 WeakPolarHBondContact O-CB 3.46Å; G461-N464 PolarHBondContact O-N 3.36Å; G461-N464 VanDerWaalsContact O-N 3.16Å
462	P	98.8	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-51.1	-47.7	173.6	-33.2	39.2	0	0	0	114.5	F267 G295 Y296 F454 F459 N464 W465	F267-P462 HydrophobicContact CD2-CB 3.66Å; F267-P462 HydrophobicContact CE2-CB 3.59Å; G295-P462 WeakPolarHBondContact O-CD 3.3Å; Y296-P462 HydrophobicContact CD1-CB 4.32Å; Y296-P462 HydrophobicContact CD1-CG 3.76Å; Y296-P462 HydrophobicContact CD2-CG 4.43Å; Y296-P462 HydrophobicContact CE1-CB 3.54Å; Y296-P462 HydrophobicContact CE1-CG 3.49Å; Y296-P462 VanDerWaalsContact CE1-CG 3.49Å; Y296-P462 HydrophobicContact CE2-CB 4.26Å; Y296-P462 HydrophobicContact CE2-CG 4.2Å; Y296-P462 HydrophobicContact CG-CG 4.24Å; Y296-P462 WeakPolarHBondContact OH-CA 3.49Å; Y296-P462 WeakPolarHBondContact OH-CB 3.45Å; F454-P462 HydrophobicContact CE1-CG 3.99Å; F459-P462 WeakPolarHBondContact O-CD 3.3Å; P462-N464 VanDerWaalsContact C-N 3.31Å; P462-N464 PolarHBondContact O-N 2.94Å; P462-W465 WeakPolarHBondContact O-CB 3.41Å; P462-W465 VanDerWaalsContact O-CD1 3.29Å; P462-W465 PolarHBondContact O-N 3.05Å
463	L	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-28.9	179.9	-74.8	163.7	0	0	0	112.6	F267 F387 A393 E394 L397 F459 R460 G461 W465 Y466	F267-L463 HydrophobicContact CE2-CD2 3.92Å; F267-L463 HydrophobicContact CE2-CG 3.98Å; F267-L463 HydrophobicContact CZ-CD2 3.64Å; F267-L463 HydrophobicContact CZ-CG 4.11Å; F387-L463 HydrophobicContact CB-CD2 3.86Å; F387-L463 HydrophobicContact CD1-CD2 3.66Å; F387-L463 HydrophobicContact CD2-CD2 3.79Å; F387-L463 HydrophobicContact CE1-CD2 4.04Å; F387-L463 HydrophobicContact CE2-CD2 4.17Å; F387-L463 HydrophobicContact CG-CD2 3.51Å; F387-L463 HydrophobicContact CZ-CD2 4.28Å; A393-L463 HydrophobicContact CB-CD1 3.75Å; A393-L463 HydrophobicContact CB-CD2 3.91Å; E394-L463 HydrophobicContact CB-CD1 4.38Å; E394-L463 VanDerWaalsContact CD-CD1 3.43Å; E394-L463 HydrophobicContact CG-CD1 3.67Å; E394-L463 WeakPolarHBondContact OE2-CD1 3.31Å; L397-L463 HydrophobicContact CD1-CD1 4.24Å; L397-L463 HydrophobicContact CD1-CD2 4.21Å; L397-L463 HydrophobicContact CD1-CG 4.48Å; F459-L463 HydrophobicContact CB-CD1 3.85Å; F459-L463 HydrophobicContact CB-CG 4.28Å; F459-L463 VanDerWaalsContact O-CB 3.26Å; F459-L463 WeakPolarHBondContact O-CB 3.24Å; F459-L463 VanDerWaalsContact O-CG 3.3Å; F459-L463 WeakPolarHBondContact O-CG 3.48Å; F459-L463 PolarHBondContact O-N 3.39Å; R460-L463 PolarHBondContact O-N 3.19Å; G461-L463 PolarHBondContact O-N 2.95Å; L463-W465 PolarHBondContact O-N 3.3Å; L463-W465 VanDerWaalsContact O-N 3.14Å; L463-Y466 PolarHBondContact O-N 3.36Å
464	N	98.9	Very high	98.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-19.7	176.6	-72.9	-10.4	0	0	0	113.2	P303 E304 Y308 R460 G461 P462 Y466 R467 N468	P303-N464 PolarHBondContact O-ND2 2.89Å; E304-N464 PolarHBondContact O-ND2 3.27Å; Y308-N464 HydrophobicContact CD1-CB 4.45Å; Y308-N464 HydrophobicContact CD2-CB 3.33Å; Y308-N464 HydrophobicContact CE2-CB 3.9Å; Y308-N464 HydrophobicContact CG-CB 3.64Å; R460-N464 PolarHBondContact O-N 3.16Å; R460-N464 PolarHBondContact O-ND2 3.31Å; R460-N464 PolarHBondContact O-OD1 2.93Å; G461-N464 WeakPolarHBondContact O-CB 3.46Å; G461-N464 PolarHBondContact O-N 3.36Å; G461-N464 VanDerWaalsContact O-N 3.16Å; P462-N464 VanDerWaalsContact C-N 3.31Å; P462-N464 PolarHBondContact O-N 2.94Å; N464-Y466 PolarHBondContact O-N 2.69Å; N464-R467 PolarHBondContact O-N 3.41Å; N464-R467 VanDerWaalsContact O-N 3.1Å; N464-R467 WeakPolarHBondContact OD1-CD 3.3Å; N464-R467 PolarHBondContact OD1-NH1 3.04Å; N464-N468 PolarHBondContact O-ND2 3.16Å
465	W	98.8	Very high	98.2	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.4	-34.5	170.2	-71.1	70.3	0	0	0	112.1	M293 K294 Y296 Y308 M310 L313 W336 L340 P462 L463	M293-W465 HydrophobicContact CB-CH2 4.2Å; M293-W465 HydrophobicContact CB-CZ2 3.9Å; M293-W465 HydrophobicContact CE-CH2 3.85Å; K294-W465 PolarHBondContact O-NE1 3.03Å; Y296-W465 AromaticContact CE2-NE1 3.55Å; Y308-W465 AromaticContact CD1-CD1 3.58Å; Y308-W465 HydrophobicContact CD1-CG 4.46Å; Y308-W465 AromaticContact CD1-NE1 3.34Å; Y308-W465 VanDerWaalsContact CD1-NE1 3.34Å; Y308-W465 AromaticContact CE1-NE1 3.86Å; M310-W465 HydrophobicContact CE-CE3 3.65Å; M310-W465 HydrophobicContact CE-CZ3 3.94Å; L313-W465 HydrophobicContact CD1-CD2 3.94Å; L313-W465 HydrophobicContact CD1-CE3 3.68Å; L313-W465 HydrophobicContact CD1-CH2 3.52Å; L313-W465 HydrophobicContact CD1-CZ2 3.78Å; L313-W465 HydrophobicContact CD1-CZ3 3.48Å; L313-W465 VanDerWaalsContact CD1-CZ3 3.48Å; L313-W465 HydrophobicContact CD2-CH2 3.95Å; L313-W465 HydrophobicContact CD2-CZ2 3.69Å; L313-W465 HydrophobicContact CG-CH2 4.24Å; L313-W465 HydrophobicContact CG-CZ2 4.36Å; W336-W465 HydrophobicContact CB-CE3 3.84Å; W336-W465 HydrophobicContact CB-CZ3 4.26Å; W336-W465 HydrophobicContact CD2-CB 4.15Å; W336-W465 HydrophobicContact CD2-CE3 4.25Å; W336-W465 HydrophobicContact CE3-CE3 4.2Å; W336-W465 HydrophobicContact CG-CB 4.33Å; W336-W465 HydrophobicContact CG-CE3 4.14Å; W336-W465 WeakPolarHBondContact CH2-O 3.38Å; W336-W465 WeakPolarHBondContact CZ2-O 3.23Å; L340-W465 HydrophobicContact CD1-CH2 3.87Å; L340-W465 HydrophobicContact CD1-CZ3 4.07Å; P462-W465 WeakPolarHBondContact O-CB 3.41Å; P462-W465 VanDerWaalsContact O-CD1 3.29Å; P462-W465 PolarHBondContact O-N 3.05Å; L463-W465 PolarHBondContact O-N 3.3Å; L463-W465 VanDerWaalsContact O-N 3.14Å
466	Y	98.5	Very high	98.2	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.016	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-81.7	-13.3	176.2	-65.2	-91.2	0	0	0	113.8	F267 W336 Y383 Q384 F387 Q388 L463 N464 N468 M469	F267-Y466 HydrophobicContact CB-CE2 3.93Å; F267-Y466 AromaticContact CD1-CE2 3.62Å; F267-Y466 HydrophobicContact CD1-CE2 3.62Å; F267-Y466 AromaticContact CD1-CZ 3.96Å; F267-Y466 WeakPolarHBondContact CD1-OH 3.36Å; F267-Y466 HydrophobicContact CD2-CD2 4.45Å; F267-Y466 AromaticContact CD2-CE2 3.75Å; F267-Y466 HydrophobicContact CD2-CE2 3.75Å; F267-Y466 HydrophobicContact CE1-CE2 4.03Å; F267-Y466 HydrophobicContact CE2-CE2 4.14Å; F267-Y466 AromaticContact CG-CE2 3.5Å; F267-Y466 HydrophobicContact CG-CE2 3.5Å; F267-Y466 VanDerWaalsContact CG-CE2 3.5Å; F267-Y466 HydrophobicContact CZ-CE2 4.28Å; W336-Y466 AromaticContact CD1-CE2 3.84Å; W336-Y466 AromaticContact CD1-CZ 3.67Å; W336-Y466 AromaticContact CE2-CD1 3.85Å; W336-Y466 AromaticContact CE2-CE1 3.72Å; W336-Y466 AromaticContact CE2-CZ 3.91Å; W336-Y466 AromaticContact CZ2-CD1 3.46Å; W336-Y466 HydrophobicContact CZ2-CD1 3.46Å; W336-Y466 VanDerWaalsContact CZ2-CD1 3.46Å; W336-Y466 HydrophobicContact CZ2-CD2 4.36Å; W336-Y466 AromaticContact CZ2-CE1 3.76Å; W336-Y466 HydrophobicContact CZ2-CE1 3.76Å; W336-Y466 AromaticContact CZ2-CG 3.78Å; W336-Y466 HydrophobicContact CZ2-CG 3.78Å; W336-Y466 AromaticContact NE1-CD1 3.61Å; W336-Y466 AromaticContact NE1-CD2 3.55Å; W336-Y466 AromaticContact NE1-CE1 3.13Å; W336-Y466 AromaticContact NE1-CE2 3.1Å; W336-Y466 AromaticContact NE1-CG 3.79Å; W336-Y466 AromaticContact NE1-CZ 2.87Å; W336-Y466 PolarHBondContact NE1-OH 3.18Å; Y383-Y466 AromaticContact CE2-CE1 3.97Å; Y383-Y466 HydrophobicContact CE2-CE1 3.97Å; Q384-Y466 HydrophobicContact CB-CD1 4.23Å; Q384-Y466 HydrophobicContact CG-CD1 3.89Å; Q384-Y466 HydrophobicContact CG-CE1 3.9Å; F387-Y466 HydrophobicContact CD2-CD1 4.17Å; F387-Y466 AromaticContact CD2-CD2 3.74Å; F387-Y466 HydrophobicContact CD2-CD2 3.74Å; F387-Y466 HydrophobicContact CD2-CE1 4.26Å; F387-Y466 AromaticContact CD2-CE2 3.78Å; F387-Y466 HydrophobicContact CD2-CE2 3.78Å; F387-Y466 AromaticContact CD2-CG 3.93Å; F387-Y466 HydrophobicContact CD2-CG 3.93Å; F387-Y466 HydrophobicContact CE2-CD2 4.35Å; F387-Y466 AromaticContact CE2-CE2 3.93Å; F387-Y466 HydrophobicContact CE2-CE2 3.93Å; Q388-Y466 PolarHBondContact NE2-O 3.12Å; L463-Y466 PolarHBondContact O-N 3.36Å; N464-Y466 PolarHBondContact O-N 2.69Å; Y466-N468 PolarHBondContact O-N 3.16Å; Y466-M469 WeakPolarHBondContact O-CE 3.32Å; Y466-M469 WeakPolarHBondContact O-CG 3.44Å
467	R	98.6	Very high	98.2	Very high	21 Å²	21	32.3 Å²	32.3	8%	0.079	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-95.6	13.1	-171.1	-64.5	175.8	-176	155.6	-4.8	114.1	I305 F387 Q388 E389 E394 N464	I305-R467 HydrophobicContact CD1-CB 4.41Å; I305-R467 HydrophobicContact CG1-CB 4.4Å; I305-R467 HydrophobicContact CG2-CB 3.58Å; I305-R467 WeakPolarHBondContact CG2-O 3.25Å; F387-R467 PolarHBondContact O-NE 2.87Å; F387-R467 PolarHBondContact O-NH2 2.9Å; Q388-R467 PolarHBondContact O-NE 3.22Å; E389-R467 PolarHBondContact O-NH2 3.27Å; E394-R467 IonicContact OE1-CZ 2.85Å; E394-R467 VanDerWaalsContact OE1-CZ 3.27Å; E394-R467 IonicContact OE1-NH1 2.71Å; E394-R467 PolarHBondContact OE1-NH1 2.98Å; E394-R467 IonicContact OE1-NH2 2.7Å; E394-R467 PolarHBondContact OE1-NH2 3.37Å; E394-R467 IonicContact OE2-CZ 2.91Å; E394-R467 IonicContact OE2-NH2 2.72Å; E394-R467 PolarHBondContact OE2-NH2 2.85Å; N464-R467 PolarHBondContact O-N 3.41Å; N464-R467 VanDerWaalsContact O-N 3.1Å; N464-R467 WeakPolarHBondContact OD1-CD 3.3Å; N464-R467 PolarHBondContact OD1-NH1 3.04Å
468	N	98.2	Very high	98.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-115	17.2	-177.3	-76.2	-79	0	0	0	113.8	I305 C309 N464 Y466 E470 R471 N472	I305-N468 PolarHBondContact O-ND2 3.31Å; I305-N468 PolarHBondContact O-OD1 3.23Å; C309-N468 HydrophobicContact CB-CB 3.91Å; C309-N468 WeakPolarHBondContact CB-OD1 3.25Å; N464-N468 PolarHBondContact O-ND2 3.16Å; Y466-N468 PolarHBondContact O-N 3.16Å; N468-E470 PolarHBondContact O-N 3.33Å; N468-R471 PolarHBondContact O-N 3.47Å; N468-R471 WeakPolarHBondContact OD1-CD 3.41Å; N468-N472 WeakPolarHBondContact O-CB 3.34Å; N468-N472 PolarHBondContact O-N 2.94Å; N468-N472 PolarHBondContact O-ND2 3.12Å
469	M	95.8	Very high	97.9	Very high	23 Å²	23	37.2 Å²	37.2	11%	0.113	16%	0.16	C	C	.	.	H	α-helix	trans	-48.9	-50.2	-172.7	-66.8	170.9	176.8	0	0	113.6	P371 I375 Q384 Y466 N472 W473	P371-M469 HydrophobicContact CB-CB 4.21Å; P371-M469 HydrophobicContact CG-CB 4.31Å; I375-M469 HydrophobicContact CD1-CE 3.24Å; I375-M469 HydrophobicContact CD1-CG 4.07Å; I375-M469 HydrophobicContact CD1-SD 3.2Å; I375-M469 WeakPolarHBondContact CD1-SD 3.45Å; Q384-M469 HydrophobicContact CB-CE 3.93Å; Y466-M469 WeakPolarHBondContact O-CE 3.32Å; Y466-M469 WeakPolarHBondContact O-CG 3.44Å; M469-N472 PolarHBondContact O-N 3.47Å; M469-W473 VanDerWaalsContact O-CB 3.25Å; M469-W473 WeakPolarHBondContact O-CB 3.46Å; M469-W473 PolarHBondContact O-N 3.36Å
470	E	96.9	Very high	97.5	Very high	83 Å²	83	40.6 Å²	40.6	39%	0.388	18%	0.178	S	C	.	.	H	α-helix	trans	-65.7	-42	179.3	-179.4	64.4	-167	0	0	112.8	N468 K474	N468-E470 PolarHBondContact O-N 3.33Å; E470-K474 WeakPolarHBondContact O-CG 3.47Å; E470-K474 PolarHBondContact O-N 3.17Å; E470-K474 WeakPolarHBondContact OE1-CE 3.44Å; E470-K474 IonicContact OE1-NZ 2.7Å; E470-K474 PolarHBondContact OE1-NZ 3.37Å
471	R	98.3	Very high	97.2	Very high	143 Å²	143	38.4 Å²	38.4	54%	0.54	19%	0.193	S	C	.	.	H	α-helix	trans	-67	-43.9	178.2	-68.1	180	-175.8	-95.6	4.5	110.9	C309 N468 K474 W475	C309-R471 HydrophobicContact CB-CB 4.26Å; N468-R471 PolarHBondContact O-N 3.47Å; N468-R471 WeakPolarHBondContact OD1-CD 3.41Å; R471-K474 PolarHBondContact O-N 3.48Å; R471-W475 PolarHBondContact O-N 3.24Å
472	N	98.2	Very high	97.1	Very high	14 Å²	14	44 Å²	44	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-44.8	178.3	-67.6	-12.4	0	0	0	110.6	C309 M310 N468 M469 W475 A476	C309-N472 WeakPolarHBondContact CA-OD1 3.28Å; C309-N472 WeakPolarHBondContact CB-OD1 3.36Å; M310-N472 HydrophobicContact CG-CB 4.37Å; M310-N472 PolarHBondContact N-OD1 3.34Å; N468-N472 WeakPolarHBondContact O-CB 3.34Å; N468-N472 PolarHBondContact O-N 2.94Å; N468-N472 PolarHBondContact O-ND2 3.12Å; M469-N472 PolarHBondContact O-N 3.47Å; N472-W475 PolarHBondContact O-N 2.99Å; N472-A476 WeakPolarHBondContact O-CB 3.41Å; N472-A476 PolarHBondContact O-N 2.83Å
473	W	97.9	Very high	97.1	Very high	58 Å²	58	49.3 Å²	49.3	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-49.2	175.1	175.4	86.4	0	0	0	111.9	N366 P367 V369 P371 M469 W475 A476 C477	N366-W473 PolarHBondContact O-NE1 3.44Å; P367-W473 WeakPolarHBondContact O-CZ2 3.33Å; V369-W473 PolarHBondContact O-NE1 3.48Å; P371-W473 HydrophobicContact CB-CB 4.1Å; P371-W473 HydrophobicContact CB-CG 4.35Å; P371-W473 HydrophobicContact CG-CB 3.82Å; P371-W473 HydrophobicContact CG-CG 4.07Å; M469-W473 VanDerWaalsContact O-CB 3.25Å; M469-W473 WeakPolarHBondContact O-CB 3.46Å; M469-W473 PolarHBondContact O-N 3.36Å; W473-W475 VanDerWaalsContact C-N 3.31Å; W473-W475 PolarHBondContact O-N 2.77Å; W473-A476 PolarHBondContact O-N 3.41Å; W473-C477 PolarHBondContact O-N 3.06Å; W473-C477 PolarHBondContact O-SG 3.04Å
474	K	98.1	Very high	97	Very high	116 Å²	116	49.4 Å²	49.4	50%	0.504	24%	0.237	S	C	.	.	H	α-helix	trans	-57.2	-42.1	176	-78.9	175.4	176.7	143	0	112.8	E470 R471	E470-K474 WeakPolarHBondContact O-CG 3.47Å; E470-K474 PolarHBondContact O-N 3.17Å; E470-K474 WeakPolarHBondContact OE1-CE 3.44Å; E470-K474 IonicContact OE1-NZ 2.7Å; E470-K474 PolarHBondContact OE1-NZ 3.37Å; R471-K474 PolarHBondContact O-N 3.48Å
475	W	98.3	Very high	97	Very high	13 Å²	13	53.5 Å²	53.5	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-45.4	178.3	-176.2	66.3	0	0	0	111.6	M310 E311 C314 Y343 F347 R471 N472 W473 C477 K478	M310-W475 HydrophobicContact CB-CE3 3.83Å; M310-W475 HydrophobicContact CB-CZ3 3.6Å; E311-W475 HydrophobicContact CB-CD2 3.76Å; E311-W475 HydrophobicContact CB-CE3 4.32Å; E311-W475 HydrophobicContact CB-CG 3.87Å; E311-W475 HydrophobicContact CB-CZ2 4.24Å; E311-W475 HydrophobicContact CG-CD2 4.36Å; E311-W475 HydrophobicContact CG-CG 4.35Å; E311-W475 HydrophobicContact CG-CZ2 4.35Å; C314-W475 HydrophobicContact CB-CH2 4.06Å; Y343-W475 HydrophobicContact CD1-CE3 4.19Å; Y343-W475 HydrophobicContact CD1-CH2 4.43Å; Y343-W475 AromaticContact CD1-CZ3 3.69Å; Y343-W475 HydrophobicContact CD1-CZ3 3.69Å; Y343-W475 HydrophobicContact CD2-CZ3 4.35Å; Y343-W475 HydrophobicContact CE1-CE3 4.5Å; Y343-W475 HydrophobicContact CE1-CZ3 4.41Å; Y343-W475 HydrophobicContact CG-CE3 4.46Å; Y343-W475 HydrophobicContact CG-CH2 4.4Å; Y343-W475 AromaticContact CG-CZ3 3.66Å; Y343-W475 HydrophobicContact CG-CZ3 3.66Å; F347-W475 HydrophobicContact CB-CH2 4.2Å; F347-W475 HydrophobicContact CB-CZ2 3.93Å; F347-W475 AromaticContact CD1-CE2 3.95Å; F347-W475 HydrophobicContact CD1-CH2 4.48Å; F347-W475 AromaticContact CD1-CZ2 3.71Å; F347-W475 HydrophobicContact CD1-CZ2 3.71Å; F347-W475 HydrophobicContact CD2-CD2 4.46Å; F347-W475 AromaticContact CD2-CE2 3.95Å; F347-W475 HydrophobicContact CD2-CE3 4.39Å; F347-W475 AromaticContact CD2-CH2 3.29Å; F347-W475 HydrophobicContact CD2-CH2 3.29Å; F347-W475 AromaticContact CD2-CZ2 3.36Å; F347-W475 HydrophobicContact CD2-CZ2 3.36Å; F347-W475 AromaticContact CD2-CZ3 3.84Å; F347-W475 HydrophobicContact CD2-CZ3 3.84Å; F347-W475 HydrophobicContact CE1-CD2 4.43Å; F347-W475 AromaticContact CE1-CE2 3.78Å; F347-W475 HydrophobicContact CE1-CZ2 4Å; F347-W475 AromaticContact CE1-NE1 3.75Å; F347-W475 AromaticContact CE2-CD2 3.92Å; F347-W475 HydrophobicContact CE2-CD2 3.92Å; F347-W475 AromaticContact CE2-CE2 3.77Å; F347-W475 AromaticContact CE2-CE3 3.91Å; F347-W475 HydrophobicContact CE2-CE3 3.91Å; F347-W475 AromaticContact CE2-CH2 3.68Å; F347-W475 HydrophobicContact CE2-CH2 3.68Å; F347-W475 AromaticContact CE2-CZ2 3.67Å; F347-W475 HydrophobicContact CE2-CZ2 3.67Å; F347-W475 AromaticContact CE2-CZ3 3.79Å; F347-W475 HydrophobicContact CE2-CZ3 3.79Å; F347-W475 AromaticContact CG-CH2 3.74Å; F347-W475 HydrophobicContact CG-CH2 3.74Å; F347-W475 AromaticContact CG-CZ2 3.37Å; F347-W475 HydrophobicContact CG-CZ2 3.37Å; F347-W475 AromaticContact CZ-CD2 3.9Å; F347-W475 HydrophobicContact CZ-CD2 3.9Å; F347-W475 AromaticContact CZ-CE2 3.68Å; F347-W475 HydrophobicContact CZ-CE3 4.33Å; F347-W475 HydrophobicContact CZ-CG 4.35Å; F347-W475 HydrophobicContact CZ-CH2 4.42Å; F347-W475 AromaticContact CZ-CZ2 3.98Å; F347-W475 HydrophobicContact CZ-CZ2 3.98Å; F347-W475 AromaticContact CZ-NE1 3.97Å; F347-W475 WeakPolarHBondContact CZ-O 3.38Å; R471-W475 PolarHBondContact O-N 3.24Å; N472-W475 PolarHBondContact O-N 2.99Å; W473-W475 VanDerWaalsContact C-N 3.31Å; W473-W475 PolarHBondContact O-N 2.77Å; W475-C477 VanDerWaalsContact C-N 3.31Å; W475-C477 PolarHBondContact O-N 3.46Å; W475-K478 VanDerWaalsContact O-CB 3.23Å; W475-K478 WeakPolarHBondContact O-CB 3.35Å; W475-K478 WeakPolarHBondContact O-CG 3.36Å; W475-K478 PolarHBondContact O-N 3.02Å
476	A	97.6	Very high	96.9	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-38	177.8	0	0	0	0	0	112.8	Y343 A365 N472 W473 K478 S479	Y343-A476 HydrophobicContact CE1-CB 3.65Å; Y343-A476 WeakPolarHBondContact OH-CB 3.47Å; A365-A476 HydrophobicContact CB-CB 3.72Å; N472-A476 WeakPolarHBondContact O-CB 3.41Å; N472-A476 PolarHBondContact O-N 2.83Å; W473-A476 PolarHBondContact O-N 3.41Å; A476-K478 PolarHBondContact O-N 3.31Å; A476-K478 VanDerWaalsContact O-N 3.09Å; A476-S479 WeakPolarHBondContact O-CB 3.45Å; A476-S479 PolarHBondContact O-N 2.98Å; A476-S479 PolarHBondContact O-OG 2.86Å
477	C	97.3	Very high	96.9	Very high	30 Å²	30	55.4 Å²	55.4	20%	0.203	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-56.6	-25.1	174.5	-75.5	0	0	0	0	113.2	W473 W475 S479 L480	W473-C477 PolarHBondContact O-N 3.06Å; W473-C477 PolarHBondContact O-SG 3.04Å; W475-C477 VanDerWaalsContact C-N 3.31Å; W475-C477 PolarHBondContact O-N 3.46Å; C477-S479 PolarHBondContact O-N 3.27Å; C477-L480 HydrophobicContact CB-CD1 3.99Å; C477-L480 WeakPolarHBondContact O-CB 3.48Å; C477-L480 WeakPolarHBondContact O-CD1 3.34Å; C477-L480 VanDerWaalsContact O-CG 3.27Å; C477-L480 WeakPolarHBondContact O-CG 3.48Å; C477-L480 PolarHBondContact O-N 3.05Å
478	K	96.4	Very high	97	Very high	137 Å²	137	54.4 Å²	54.4	60%	0.596	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-69.7	-16.1	174.4	-56.7	178.5	-179.6	177.9	0	113.6	W475 A476	W475-K478 VanDerWaalsContact O-CB 3.23Å; W475-K478 WeakPolarHBondContact O-CB 3.35Å; W475-K478 WeakPolarHBondContact O-CG 3.36Å; W475-K478 PolarHBondContact O-N 3.02Å; A476-K478 PolarHBondContact O-N 3.31Å; A476-K478 VanDerWaalsContact O-N 3.09Å
479	S	94.6	Very high	97	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.07	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-95.8	1	176.5	71	0	0	0	0	113.2	A476 C477 G481 R482	A476-S479 WeakPolarHBondContact O-CB 3.45Å; A476-S479 PolarHBondContact O-N 2.98Å; A476-S479 PolarHBondContact O-OG 2.86Å; C477-S479 PolarHBondContact O-N 3.27Å; S479-G481 PolarHBondContact O-N 2.9Å; S479-R482 VanDerWaalsContact O-CB 3.3Å; S479-R482 WeakPolarHBondContact O-CB 3.48Å; S479-R482 PolarHBondContact O-N 3.2Å
480	L	90.9	Very high	97.1	Very high	71 Å²	71	53.5 Å²	53.5	37%	0.372	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	123.8	175.5	-67.6	168.1	0	0	0	109.7	A365 P367 C477	A365-L480 VanDerWaalsContact O-CD2 3.28Å; A365-L480 WeakPolarHBondContact O-CD2 3.28Å; P367-L480 HydrophobicContact CB-CD1 3.86Å; P367-L480 HydrophobicContact CG-CD1 3.81Å; C477-L480 HydrophobicContact CB-CD1 3.99Å; C477-L480 WeakPolarHBondContact O-CB 3.48Å; C477-L480 WeakPolarHBondContact O-CD1 3.34Å; C477-L480 VanDerWaalsContact O-CG 3.27Å; C477-L480 WeakPolarHBondContact O-CG 3.48Å; C477-L480 PolarHBondContact O-N 3.05Å
481	G	91.4	Very high	97.2	Very high	75 Å²	75	49.6 Å²	49.6	77%	0.773	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.3	-9.8	-173.6	0	0	0	0	0	114.8	S479	S479-G481 PolarHBondContact O-N 2.9Å
482	R	96.9	Very high	97.3	Very high	120 Å²	120	43.3 Å²	43.3	45%	0.453	22%	0.221	S	C	.	.			trans	-82.1	155.8	169.4	-59.3	-173.7	-175.6	-166.5	-2.3	110.9	L346 S479	L346-R482 HydrophobicContact CD2-CB 4.24Å; L346-R482 PolarHBondContact O-NH1 3.14Å; S479-R482 VanDerWaalsContact O-CB 3.3Å; S479-R482 WeakPolarHBondContact O-CB 3.48Å; S479-R482 PolarHBondContact O-N 3.2Å
483	K	98	Very high	97.3	Very high	112 Å²	112	42.7 Å²	42.7	49%	0.487	22%	0.218	S	C	.	.			trans	-124.6	151.9	168.8	-67.8	-163.1	-179.3	-151	0	109.7	L485 D509 W510	K483-L485 HydrophobicContact CB-CD2 3.96Å; K483-L485 HydrophobicContact CB-CG 4.34Å; K483-D509 WeakPolarHBondContact CE-O 3.41Å; K483-D509 PolarHBondContact NZ-O 3.34Å; K483-W510 CarbonylContact C-O 3.05Å; K483-W510 VanDerWaalsContact CA-O 3.28Å; K483-W510 WeakPolarHBondContact CA-O 3.15Å; K483-W510 VanDerWaalsContact CB-O 3.26Å; K483-W510 WeakPolarHBondContact CB-O 3.43Å
484	I	98.3	Very high	97.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.225	C	C	.	.			trans	-87.5	113.2	170	-60.8	167.8	0	0	0	107.1	W342 A345 L346 V355 F362 I486 A488 W510 I511	W342-I484 HydrophobicContact CE3-CD1 3.8Å; W342-I484 HydrophobicContact CZ3-CD1 4.38Å; A345-I484 HydrophobicContact CB-CD1 4.24Å; A345-I484 HydrophobicContact CB-CG1 4.34Å; A345-I484 HydrophobicContact CB-CG2 4.04Å; L346-I484 HydrophobicContact CD2-CD1 4.17Å; L346-I484 HydrophobicContact CD2-CG1 3.58Å; L346-I484 HydrophobicContact CG-CD1 3.98Å; L346-I484 HydrophobicContact CG-CG1 3.83Å; V355-I484 HydrophobicContact CG1-CG2 4.34Å; F362-I484 HydrophobicContact CG-CD1 4.46Å; I484-I486 HydrophobicContact CG2-CG1 3.86Å; I484-A488 HydrophobicContact CG2-CB 4.48Å; I484-W510 PolarHBondContact N-O 2.93Å; I484-I511 HydrophobicContact CB-CD1 4.32Å; I484-I511 HydrophobicContact CB-CG1 4.01Å; I484-I511 HydrophobicContact CB-CG2 4.16Å; I484-I511 HydrophobicContact CD1-CD1 3.75Å; I484-I511 HydrophobicContact CD1-CG1 4.12Å; I484-I511 HydrophobicContact CG1-CG1 4.46Å; I484-I511 HydrophobicContact CG2-CG2 4.27Å
485	L	98.1	Very high	97.3	Very high	86 Å²	86	42.2 Å²	42.2	45%	0.45	22%	0.219	S	C	.	.			trans	-110.2	-12.2	-176.2	-58	-179.7	0	0	0	113.6	K483 P512	K483-L485 HydrophobicContact CB-CD2 3.96Å; K483-L485 HydrophobicContact CB-CG 4.34Å; L485-P512 HydrophobicContact CD2-CG 3.75Å
486	I	97.8	Very high	97.3	Very high	27 Å²	27	41.7 Å²	41.7	14%	0.138	22%	0.217	C	C	.	.	S	Bend	trans	-70.5	161.2	171.7	62.8	170.6	0	0	0	110.4	A345 P349 V352 V355 I484 A488	A345-I486 HydrophobicContact CB-CD1 3.85Å; A345-I486 HydrophobicContact CB-CG1 4.46Å; P349-I486 HydrophobicContact CB-CG2 4.3Å; V352-I486 HydrophobicContact CB-CD1 3.65Å; V352-I486 HydrophobicContact CG1-CD1 3.37Å; V355-I486 HydrophobicContact CG1-CD1 4.23Å; V355-I486 HydrophobicContact CG1-CG1 4.35Å; I484-I486 HydrophobicContact CG2-CG1 3.86Å; I486-A488 PolarHBondContact O-N 3.06Å
487	P	98.6	Very high	97.2	Very high	18 Å²	18	45.9 Å²	45.9	12%	0.117	24%	0.235	C	C	.	.			trans	-57.1	127.6	178.5	-23.2	32.8	0	0	0	112.2	A354 V355 D545	A354-P487 CarbonylContact C-O 3.59Å; A354-P487 WeakPolarHBondContact CA-O 3.45Å; A354-P487 HydrophobicContact CB-CB 4.05Å; V355-P487 PolarHBondContact N-O 2.71Å; P487-D545 HydrophobicContact CB-CB 3.87Å
488	A	98.8	Very high	97.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.6	-172	0	0	0	0	0	111.8	W342 V355 I484 I486 I511 L514 K515	W342-A488 HydrophobicContact CH2-CB 4.38Å; W342-A488 HydrophobicContact CZ3-CB 4.07Å; V355-A488 HydrophobicContact CG1-CB 3.82Å; V355-A488 CarbonylContact O-C 3.58Å; V355-A488 WeakPolarHBondContact O-CA 3.38Å; I484-A488 HydrophobicContact CG2-CB 4.48Å; I486-A488 PolarHBondContact O-N 3.06Å; A488-I511 HydrophobicContact CB-CG2 3.6Å; A488-L514 HydrophobicContact CB-CD1 3.94Å; A488-K515 PolarHBondContact O-N 3.17Å
489	L	98.9	Very high	97.1	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.1	175.1	175.8	67.9	0	0	0	111.1	V355 A356 S357 V491 K515 I537 L538 W541	V355-L489 PolarHBondContact O-N 3.37Å; A356-L489 CarbonylContact C-O 3.6Å; A356-L489 VanDerWaalsContact CA-O 3.27Å; A356-L489 WeakPolarHBondContact CA-O 3.37Å; A356-L489 HydrophobicContact CB-CB 3.85Å; A356-L489 HydrophobicContact CB-CD2 4.13Å; A356-L489 HydrophobicContact CB-CG 4.35Å; S357-L489 PolarHBondContact N-O 2.77Å; L489-V491 HydrophobicContact CD1-CG2 4.33Å; L489-V491 HydrophobicContact CD2-CG2 3.76Å; L489-V491 HydrophobicContact CG-CG2 3.84Å; L489-K515 WeakPolarHBondContact CA-O 3.36Å; L489-K515 HydrophobicContact CD1-CB 4.17Å; L489-I537 HydrophobicContact CD2-CG2 3.98Å; L489-L538 HydrophobicContact CD2-CD2 4.01Å; L489-W541 HydrophobicContact CB-CD2 3.85Å; L489-W541 HydrophobicContact CB-CE3 4.49Å; L489-W541 HydrophobicContact CB-CG 4.03Å; L489-W541 HydrophobicContact CB-CZ2 4.06Å; L489-W541 HydrophobicContact CD2-CB 3.85Å; L489-W541 HydrophobicContact CD2-CD2 3.84Å; L489-W541 HydrophobicContact CD2-CE3 4.12Å; L489-W541 HydrophobicContact CD2-CG 3.71Å; L489-W541 HydrophobicContact CG-CD2 4.44Å; L489-W541 HydrophobicContact CG-CG 4.3Å
490	M	98.9	Very high	97.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118	167.2	178.6	63.2	-166	0	0	109.7	W342 N359 P361 T492 M507 L514 K515 R516 G517	W342-M490 HydrophobicContact CZ2-SD 4.21Å; N359-M490 WeakPolarHBondContact O-CE 3.23Å; P361-M490 HydrophobicContact CB-CE 4.23Å; M490-T492 HydrophobicContact CE-CG2 3.69Å; M490-T492 HydrophobicContact CG-CG2 4.2Å; M490-M507 HydrophobicContact CB-CE 3.87Å; M490-M507 HydrophobicContact CB-SD 4.19Å; M490-M507 HydrophobicContact CG-CE 4.03Å; M490-M507 HydrophobicContact CG-SD 3.74Å; M490-M507 HydrophobicContact SD-CE 3.96Å; M490-M507 HydrophobicContact SD-SD 3.78Å; M490-L514 HydrophobicContact CB-CD1 3.94Å; M490-L514 HydrophobicContact CB-CD2 4.07Å; M490-L514 HydrophobicContact CB-CG 4.31Å; M490-K515 PolarHBondContact N-O 3.36Å; M490-R516 CarbonylContact O-C 3.58Å; M490-R516 VanDerWaalsContact O-CA 3.29Å; M490-R516 WeakPolarHBondContact O-CA 3.36Å; M490-G517 PolarHBondContact O-N 2.85Å
491	V	98.9	Very high	97.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.9	172.4	-172.6	0	0	0	0	108.9	S357 L358 N359 L489 G517 I519 I537	S357-V491 PolarHBondContact O-N 3.46Å; L358-V491 HydrophobicContact CD2-CB 3.59Å; L358-V491 HydrophobicContact CD2-CG1 4.09Å; L358-V491 HydrophobicContact CD2-CG2 3.66Å; N359-V491 PolarHBondContact N-O 2.91Å; L489-V491 HydrophobicContact CD1-CG2 4.33Å; L489-V491 HydrophobicContact CD2-CG2 3.76Å; L489-V491 HydrophobicContact CG-CG2 3.84Å; V491-G517 WeakPolarHBondContact CA-O 3.3Å; V491-I519 HydrophobicContact CG1-CD1 3.94Å; V491-I519 HydrophobicContact CG1-CG1 3.99Å; V491-I537 HydrophobicContact CG1-CD1 4.3Å; V491-I537 HydrophobicContact CG2-CG2 3.84Å
492	T	98.9	Very high	97.9	Very high	11 Å²	11	42 Å²	42	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.3	178.3	52.3	0	0	0	0	111	M490 P501 G517 H518 I519	M490-T492 HydrophobicContact CE-CG2 3.69Å; M490-T492 HydrophobicContact CG-CG2 4.2Å; T492-P501 HydrophobicContact CG2-CB 4.13Å; T492-G517 PolarHBondContact N-O 2.79Å; T492-G517 PolarHBondContact OG1-O 3.36Å; T492-H518 WeakPolarHBondContact O-CA 3.32Å; T492-H518 PolarHBondContact O-ND1 3.3Å; T492-H518 PolarHBondContact OG1-ND1 3.05Å; T492-I519 PolarHBondContact O-N 3.05Å
493	A	98.8	Very high	97.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.1	176.1	0	0	0	0	0	109.5	K495 D496 P501 C522 G523	A493-K495 VanDerWaalsContact C-N 3.32Å; A493-K495 PolarHBondContact O-N 3.15Å; A493-D496 HydrophobicContact CB-CB 4.11Å; A493-D496 PolarHBondContact O-N 2.82Å; A493-P501 WeakPolarHBondContact O-CG 3.36Å; A493-C522 CarbonylContact C-O 3.59Å; A493-C522 HydrophobicContact CB-CB 3.95Å; A493-C522 WeakPolarHBondContact CB-O 3.33Å; A493-G523 WeakPolarHBondContact CB-O 3.27Å
494	E	98.6	Very high	97.9	Very high	78 Å²	78	33.4 Å²	33.4	36%	0.364	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.9	-169.6	-165.6	-150.2	158.2	0	0	113.9	I519 D521	E494-I519 PolarHBondContact N-O 2.86Å; E494-D521 PolarHBondContact OE2-N 2.88Å
495	K	98.2	Very high	97.9	Very high	86 Å²	86	40.4 Å²	40.4	37%	0.374	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.2	-174.2	-51	-58.2	-169.1	-160.2	0	113	S412 A493 F497 C522	S412-K495 VanDerWaalsContact CB-CB 3.44Å; A493-K495 VanDerWaalsContact C-N 3.32Å; A493-K495 PolarHBondContact O-N 3.15Å; K495-F497 PolarHBondContact O-N 3.34Å; K495-F497 VanDerWaalsContact O-N 3.09Å; K495-C522 CarbonylContact C-O 3.52Å; K495-C522 VanDerWaalsContact CA-O 3.28Å; K495-C522 WeakPolarHBondContact CA-O 3.33Å; K495-C522 WeakPolarHBondContact CB-O 3.37Å; K495-C522 PolarHBondContact N-O 3.32Å
496	D	98.1	Very high	97.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.011	20%	0.202	C	C	.	.			trans	-68.9	106.7	164.9	-168.9	-30.9	0	0	0	108.7	N359 A493 V498 L499 V500 C522 H524	N359-D496 PolarHBondContact ND2-OD2 2.72Å; A493-D496 HydrophobicContact CB-CB 4.11Å; A493-D496 PolarHBondContact O-N 2.82Å; D496-V498 VanDerWaalsContact C-N 3.32Å; D496-V498 PolarHBondContact OD1-N 3.15Å; D496-L499 PolarHBondContact OD1-N 3.48Å; D496-V500 WeakPolarHBondContact O-CA 3.48Å; D496-V500 VanDerWaalsContact O-CG1 3.29Å; D496-V500 WeakPolarHBondContact O-CG1 3.44Å; D496-C522 PolarHBondContact N-O 2.95Å; D496-H524 IonicContact OD1-ND1 3.68Å; D496-H524 IonicContact OD2-CE1 2.83Å; D496-H524 IonicContact OD2-CG 2.97Å; D496-H524 IonicContact OD2-ND1 2.97Å; D496-H524 PolarHBondContact OD2-ND1 3Å
497	F	95.4	Very high	97.9	Very high	91 Å²	91	40.7 Å²	40.7	40%	0.399	20%	0.195	S	C	.	.	S	Bend	trans	-85.8	-4.4	-175.5	61	-93	0	0	0	113.3	M419 K495	M419-F497 HydrophobicContact CB-CE2 4Å; M419-F497 HydrophobicContact CG-CE2 3.51Å; M419-F497 HydrophobicContact CG-CZ 3.98Å; K495-F497 PolarHBondContact O-N 3.34Å; K495-F497 VanDerWaalsContact O-N 3.09Å
498	V	94.4	Very high	97.9	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.048	21%	0.206	C	C	.	.	S	Bend	trans	-102.3	-54.2	174.9	176.9	0	0	0	0	109.8	F381 Y383 M419 D496 V500	F381-V498 HydrophobicContact CD1-CG1 3.97Å; F381-V498 HydrophobicContact CE1-CG1 3.65Å; Y383-V498 HydrophobicContact CE1-CG1 3.95Å; M419-V498 HydrophobicContact CB-CG2 4.28Å; M419-V498 HydrophobicContact CG-CG2 4.14Å; D496-V498 VanDerWaalsContact C-N 3.32Å; D496-V498 PolarHBondContact OD1-N 3.15Å; V498-V500 PolarHBondContact O-N 3.41Å
499	L	96.5	Very high	97.9	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.089	23%	0.229	C	C	.	.	S	Bend	trans	-98.6	59.6	178.8	-57.8	175.4	0	0	0	110.1	N359 D496	N359-L499 HydrophobicContact CB-CB 4.2Å; N359-L499 HydrophobicContact CB-CD1 3.93Å; D496-L499 PolarHBondContact OD1-N 3.48Å
500	V	97.7	Very high	97.8	Very high	50 Å²	50	51.5 Å²	51.5	30%	0.303	24%	0.244	S	C	.	.			trans	-59.4	143.4	-173.4	-61.2	0	0	0	0	111.7	D496 V498 Q502 M503	D496-V500 WeakPolarHBondContact O-CA 3.48Å; D496-V500 VanDerWaalsContact O-CG1 3.29Å; D496-V500 WeakPolarHBondContact O-CG1 3.44Å; V498-V500 PolarHBondContact O-N 3.41Å; V500-Q502 HydrophobicContact CG2-CB 4.36Å; V500-Q502 PolarHBondContact O-N 2.97Å; V500-M503 HydrophobicContact CG2-CG 3.7Å; V500-M503 HydrophobicContact CG2-SD 4.15Å; V500-M503 WeakPolarHBondContact O-CB 3.43Å; V500-M503 PolarHBondContact O-N 3.03Å
501	P	98.3	Very high	97.8	Very high	25 Å²	25	51.5 Å²	51.5	16%	0.162	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-51.1	-33.9	-178.4	-29.6	34.7	0	0	0	114.4	T492 A493 M503 S504	T492-P501 HydrophobicContact CG2-CB 4.13Å; A493-P501 WeakPolarHBondContact O-CG 3.36Å; P501-M503 PolarHBondContact O-N 2.85Å; P501-S504 WeakPolarHBondContact O-CB 3.42Å; P501-S504 PolarHBondContact O-N 3.27Å; P501-S504 PolarHBondContact O-OG 3.36Å
502	Q	98	Very high	97.8	Very high	142 Å²	142	54.2 Å²	54.2	66%	0.664	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-60.2	-27.9	179.5	-70.2	76.5	6.6	0	0	113.1	V500 S504 K505	V500-Q502 HydrophobicContact CG2-CB 4.36Å; V500-Q502 PolarHBondContact O-N 2.97Å; Q502-S504 PolarHBondContact O-N 3.24Å; Q502-K505 WeakPolarHBondContact O-CB 3.3Å; Q502-K505 PolarHBondContact O-N 3.14Å; Q502-K505 VanDerWaalsContact O-N 3.17Å
503	M	97.6	Very high	97.7	Very high	45 Å²	45	59.8 Å²	59.8	22%	0.222	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-64.1	-22.7	176	-68.6	176.8	69.1	0	0	112.7	P361 I363 F381 V500 P501	P361-M503 HydrophobicContact CG-CB 3.82Å; P361-M503 HydrophobicContact CG-CE 4.35Å; I363-M503 HydrophobicContact CD1-CB 4.4Å; I363-M503 HydrophobicContact CD1-CE 3.87Å; F381-M503 HydrophobicContact CE2-CE 4.19Å; F381-M503 HydrophobicContact CZ-CE 3.62Å; F381-M503 HydrophobicContact CZ-SD 4.28Å; V500-M503 HydrophobicContact CG2-CG 3.7Å; V500-M503 HydrophobicContact CG2-SD 4.15Å; V500-M503 WeakPolarHBondContact O-CB 3.43Å; V500-M503 PolarHBondContact O-N 3.03Å; P501-M503 PolarHBondContact O-N 2.85Å
504	S	98.3	Very high	97.7	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.035	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-85.7	-2.8	178.5	78.4	0	0	0	0	114.2	P501 Q502 H506 M507 R516	P501-S504 WeakPolarHBondContact O-CB 3.42Å; P501-S504 PolarHBondContact O-N 3.27Å; P501-S504 PolarHBondContact O-OG 3.36Å; Q502-S504 PolarHBondContact O-N 3.24Å; S504-H506 PolarHBondContact O-N 3.07Å; S504-H506 VanDerWaalsContact O-N 3.11Å; S504-M507 WeakPolarHBondContact O-CB 3.38Å; S504-M507 WeakPolarHBondContact O-CG 3.32Å; S504-M507 PolarHBondContact O-N 2.93Å; S504-R516 PolarHBondContact O-NH2 2.79Å; S504-R516 PolarHBondContact OG-NH1 3.31Å
505	K	97.6	Very high	97.7	Very high	149 Å²	149	61.2 Å²	61.2	65%	0.648	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.2	-168.2	-178.2	-179.5	177.8	-174.9	0	114.7	Q502	Q502-K505 WeakPolarHBondContact O-CB 3.3Å; Q502-K505 PolarHBondContact O-N 3.14Å; Q502-K505 VanDerWaalsContact O-N 3.17Å
506	H	97.6	Very high	97.7	Very high	118 Å²	118	61.9 Å²	61.9	55%	0.546	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	13.8	-174	-65.4	-71.1	0	0	0	113.5	S504 E508 D509	S504-H506 PolarHBondContact O-N 3.07Å; S504-H506 VanDerWaalsContact O-N 3.11Å; H506-E508 VanDerWaalsContact C-N 3.3Å; H506-E508 PolarHBondContact O-N 3.23Å; H506-D509 IonicContact ND1-OD2 2.65Å; H506-D509 WeakPolarHBondContact O-CB 3.43Å; H506-D509 PolarHBondContact O-N 3.24Å
507	M	98.4	Very high	97.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65.9	-31.7	-176.5	-75.3	178.8	61.1	0	0	112.9	W342 P361 F362 M490 S504 D509 W510 I511 L514	W342-M507 HydrophobicContact CH2-CE 3.83Å; W342-M507 HydrophobicContact CZ2-CE 3.46Å; W342-M507 VanDerWaalsContact CZ2-CE 3.46Å; P361-M507 HydrophobicContact CB-SD 3.84Å; F362-M507 HydrophobicContact CB-CE 3.88Å; F362-M507 HydrophobicContact CB-CG 4.41Å; F362-M507 PolarHBondContact N-SD 2.8Å; F362-M507 VanDerWaalsContact N-SD 3.43Å; F362-M507 WeakPolarHBondContact O-CG 3.48Å; M490-M507 HydrophobicContact CB-CE 3.87Å; M490-M507 HydrophobicContact CB-SD 4.19Å; M490-M507 HydrophobicContact CG-CE 4.03Å; M490-M507 HydrophobicContact CG-SD 3.74Å; M490-M507 HydrophobicContact SD-CE 3.96Å; M490-M507 HydrophobicContact SD-SD 3.78Å; S504-M507 WeakPolarHBondContact O-CB 3.38Å; S504-M507 WeakPolarHBondContact O-CG 3.32Å; S504-M507 PolarHBondContact O-N 2.93Å; M507-D509 PolarHBondContact O-N 3.08Å; M507-W510 PolarHBondContact O-N 2.73Å; M507-I511 HydrophobicContact CE-CD1 3.79Å; M507-I511 PolarHBondContact O-N 3.45Å; M507-L514 HydrophobicContact CB-CD2 3.55Å; M507-L514 HydrophobicContact CE-CD1 4.14Å; M507-L514 HydrophobicContact CE-CD2 3.9Å; M507-L514 HydrophobicContact SD-CD2 4.38Å
508	E	98.5	Very high	97.9	Very high	73 Å²	73	62 Å²	62	34%	0.341	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-61.7	-23.9	179.1	-73.1	81.4	173.7	0	0	113.3	H506 W510 I511 R516	H506-E508 VanDerWaalsContact C-N 3.3Å; H506-E508 PolarHBondContact O-N 3.23Å; E508-W510 PolarHBondContact O-N 2.99Å; E508-I511 CarbonylContact O-C 3.6Å; E508-R516 VanDerWaalsContact CD-NH2 3.25Å; E508-R516 IonicContact OE1-CZ 2.68Å; E508-R516 VanDerWaalsContact OE1-CZ 3.27Å; E508-R516 IonicContact OE1-NE 2.65Å; E508-R516 PolarHBondContact OE1-NE 3.11Å; E508-R516 IonicContact OE1-NH2 2.68Å; E508-R516 PolarHBondContact OE1-NH2 3.42Å; E508-R516 IonicContact OE2-CZ 3.27Å; E508-R516 IonicContact OE2-NE 3.78Å; E508-R516 IonicContact OE2-NH2 2.92Å; E508-R516 PolarHBondContact OE2-NH2 2.85Å
509	D	98.1	Very high	98.1	Very high	92 Å²	92	62 Å²	62	49%	0.492	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-61.1	-31.1	174.9	-63.6	-29.3	0	0	0	111.1	K483 H506 M507	K483-D509 WeakPolarHBondContact CE-O 3.41Å; K483-D509 PolarHBondContact NZ-O 3.34Å; H506-D509 IonicContact ND1-OD2 2.65Å; H506-D509 WeakPolarHBondContact O-CB 3.43Å; H506-D509 PolarHBondContact O-N 3.24Å; M507-D509 PolarHBondContact O-N 3.08Å
510	W	98.2	Very high	98.2	Very high	86 Å²	86	68.1 Å²	68.1	33%	0.326	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-20.5	-175.4	-48.5	96.4	0	0	0	113.6	F362 P364 K483 I484 M507 E508	F362-W510 HydrophobicContact CD1-CB 3.96Å; F362-W510 HydrophobicContact CD1-CG 4.41Å; F362-W510 HydrophobicContact CE1-CB 3.64Å; F362-W510 AromaticContact CE1-CG 3.96Å; F362-W510 HydrophobicContact CE1-CG 3.96Å; P364-W510 HydrophobicContact CG-CD2 3.51Å; P364-W510 HydrophobicContact CG-CE3 4.08Å; P364-W510 HydrophobicContact CG-CG 3.8Å; P364-W510 HydrophobicContact CG-CH2 4.33Å; P364-W510 HydrophobicContact CG-CZ2 3.8Å; P364-W510 HydrophobicContact CG-CZ3 4.46Å; K483-W510 CarbonylContact C-O 3.05Å; K483-W510 VanDerWaalsContact CA-O 3.28Å; K483-W510 WeakPolarHBondContact CA-O 3.15Å; K483-W510 VanDerWaalsContact CB-O 3.26Å; K483-W510 WeakPolarHBondContact CB-O 3.43Å; I484-W510 PolarHBondContact N-O 2.93Å; M507-W510 PolarHBondContact O-N 2.73Å; E508-W510 PolarHBondContact O-N 2.99Å
511	I	98.5	Very high	98.2	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	33%	0.327	C	S	.	.			trans	-130.6	77.4	-178.5	-41.4	-173.3	0	0	0	108.1	W342 F362 I484 A488 M507 E508 H513 L514	W342-I511 HydrophobicContact CE3-CD1 4.09Å; W342-I511 HydrophobicContact CH2-CD1 4.12Å; W342-I511 HydrophobicContact CZ3-CD1 3.71Å; F362-I511 HydrophobicContact CB-CD1 4.12Å; F362-I511 HydrophobicContact CD1-CD1 4.25Å; F362-I511 HydrophobicContact CD1-CG1 4.33Å; F362-I511 HydrophobicContact CG-CD1 4.44Å; I484-I511 HydrophobicContact CB-CD1 4.32Å; I484-I511 HydrophobicContact CB-CG1 4.01Å; I484-I511 HydrophobicContact CB-CG2 4.16Å; I484-I511 HydrophobicContact CD1-CD1 3.75Å; I484-I511 HydrophobicContact CD1-CG1 4.12Å; I484-I511 HydrophobicContact CG1-CG1 4.46Å; I484-I511 HydrophobicContact CG2-CG2 4.27Å; A488-I511 HydrophobicContact CB-CG2 3.6Å; M507-I511 HydrophobicContact CE-CD1 3.79Å; M507-I511 PolarHBondContact O-N 3.45Å; E508-I511 CarbonylContact O-C 3.6Å; I511-H513 PolarHBondContact O-N 3.24Å; I511-L514 HydrophobicContact CB-CB 4.07Å; I511-L514 HydrophobicContact CD1-CD1 4.36Å; I511-L514 HydrophobicContact CG2-CB 3.88Å; I511-L514 HydrophobicContact CG2-CD1 4.1Å; I511-L514 VanDerWaalsContact O-CB 3.26Å; I511-L514 WeakPolarHBondContact O-CB 3.5Å; I511-L514 PolarHBondContact O-N 2.98Å; I511-L514 VanDerWaalsContact O-N 3.07Å
512	P	98.2	Very high	98.2	Very high	58 Å²	58	67.9 Å²	67.9	38%	0.377	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.1	-168.7	25.6	-35.1	0	0	0	114.2	L485	L485-P512 HydrophobicContact CD2-CG 3.75Å
513	H	97.3	Very high	98.2	Very high	128 Å²	128	61.2 Å²	61.2	59%	0.593	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	21.6	179	-52.4	-46.5	0	0	0	112.6	I511 K515	I511-H513 PolarHBondContact O-N 3.24Å; H513-K515 PolarHBondContact O-N 3.38Å
514	L	98.6	Very high	98.3	Very high	21 Å²	21	60.4 Å²	60.4	11%	0.11	29%	0.285	C	S	.	.			trans	-59.8	127.9	-179.4	-175.3	66.2	0	0	0	111.2	W342 A488 M490 M507 I511	W342-L514 HydrophobicContact CH2-CD1 4.24Å; A488-L514 HydrophobicContact CB-CD1 3.94Å; M490-L514 HydrophobicContact CB-CD1 3.94Å; M490-L514 HydrophobicContact CB-CD2 4.07Å; M490-L514 HydrophobicContact CB-CG 4.31Å; M507-L514 HydrophobicContact CB-CD2 3.55Å; M507-L514 HydrophobicContact CE-CD1 4.14Å; M507-L514 HydrophobicContact CE-CD2 3.9Å; M507-L514 HydrophobicContact SD-CD2 4.38Å; I511-L514 HydrophobicContact CB-CB 4.07Å; I511-L514 HydrophobicContact CD1-CD1 4.36Å; I511-L514 HydrophobicContact CG2-CB 3.88Å; I511-L514 HydrophobicContact CG2-CD1 4.1Å; I511-L514 VanDerWaalsContact O-CB 3.26Å; I511-L514 WeakPolarHBondContact O-CB 3.5Å; I511-L514 PolarHBondContact O-N 2.98Å; I511-L514 VanDerWaalsContact O-N 3.07Å
515	K	98.7	Very high	98.3	Very high	87 Å²	87	61 Å²	61	38%	0.378	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	156.3	163.3	-66	-169.9	-176.7	177.3	0	109.9	A488 L489 M490 H513 D545	A488-K515 PolarHBondContact O-N 3.17Å; L489-K515 WeakPolarHBondContact CA-O 3.36Å; L489-K515 HydrophobicContact CD1-CB 4.17Å; M490-K515 PolarHBondContact N-O 3.36Å; H513-K515 PolarHBondContact O-N 3.38Å; K515-D545 WeakPolarHBondContact CD-OD2 3.49Å; K515-D545 VanDerWaalsContact CE-OD1 3.29Å; K515-D545 WeakPolarHBondContact CE-OD1 3.45Å; K515-D545 VanDerWaalsContact CE-OD2 3.31Å; K515-D545 WeakPolarHBondContact CE-OD2 3.37Å; K515-D545 IonicContact NZ-OD1 3.03Å; K515-D545 PolarHBondContact NZ-OD1 2.99Å; K515-D545 IonicContact NZ-OD2 3.39Å; K515-D545 PolarHBondContact NZ-OD2 3.29Å
516	R	98.7	Very high	98.4	Very high	100 Å²	100	54 Å²	54	38%	0.377	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.1	-178.4	-69	-177.3	175.2	-88.8	1.8	112.4	M490 S504 E508	M490-R516 CarbonylContact O-C 3.58Å; M490-R516 VanDerWaalsContact O-CA 3.29Å; M490-R516 WeakPolarHBondContact O-CA 3.36Å; S504-R516 PolarHBondContact O-NH2 2.79Å; S504-R516 PolarHBondContact OG-NH1 3.31Å; E508-R516 VanDerWaalsContact CD-NH2 3.25Å; E508-R516 IonicContact OE1-CZ 2.68Å; E508-R516 VanDerWaalsContact OE1-CZ 3.27Å; E508-R516 IonicContact OE1-NE 2.65Å; E508-R516 PolarHBondContact OE1-NE 3.11Å; E508-R516 IonicContact OE1-NH2 2.68Å; E508-R516 PolarHBondContact OE1-NH2 3.42Å; E508-R516 IonicContact OE2-CZ 3.27Å; E508-R516 IonicContact OE2-NE 3.78Å; E508-R516 IonicContact OE2-NH2 2.92Å; E508-R516 PolarHBondContact OE2-NH2 2.85Å
517	G	98.7	Very high	98.4	Very high	9 Å²	9	48.3 Å²	48.3	9%	0.093	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.8	158.6	0	0	0	0	0	109.6	M490 V491 T492	M490-G517 PolarHBondContact O-N 2.85Å; V491-G517 WeakPolarHBondContact CA-O 3.3Å; T492-G517 PolarHBondContact N-O 2.79Å; T492-G517 PolarHBondContact OG1-O 3.36Å
518	H	98.8	Very high	98.4	Very high	88 Å²	88	48.6 Å²	48.6	41%	0.407	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136.5	172.3	-176.3	63.1	0	0	0	108.5	T492	T492-H518 WeakPolarHBondContact O-CA 3.32Å; T492-H518 PolarHBondContact O-ND1 3.3Å; T492-H518 PolarHBondContact OG1-ND1 3.05Å
519	I	98.6	Very high	98.3	Very high	6 Å²	6	46 Å²	46	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112	178.3	-49.7	-178.8	0	0	0	107.9	V491 T492 E494 C522 T526 K530 E533 V534 I537	V491-I519 HydrophobicContact CG1-CD1 3.94Å; V491-I519 HydrophobicContact CG1-CG1 3.99Å; T492-I519 PolarHBondContact O-N 3.05Å; E494-I519 PolarHBondContact N-O 2.86Å; I519-C522 HydrophobicContact CB-CB 3.91Å; I519-C522 HydrophobicContact CG2-CB 3.65Å; I519-C522 WeakPolarHBondContact O-CB 3.26Å; I519-T526 HydrophobicContact CD1-CG2 3.87Å; I519-K530 HydrophobicContact CG2-CB 3.67Å; I519-K530 HydrophobicContact CG2-CG 3.67Å; I519-E533 HydrophobicContact CD1-CB 4.24Å; I519-E533 HydrophobicContact CG1-CB 4.46Å; I519-E533 HydrophobicContact CG2-CB 4.02Å; I519-E533 HydrophobicContact CG2-CG 4.34Å; I519-V534 HydrophobicContact CD1-CG2 3.56Å; I519-I537 HydrophobicContact CD1-CD1 4.07Å; I519-I537 HydrophobicContact CG1-CD1 3.68Å
520	E	98.3	Very high	98.4	Very high	146 Å²	146	43.3 Å²	43.3	68%	0.682	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	151.9	174.9	-63.8	-177.2	170.9	0	0	110.6	C522	E520-C522 PolarHBondContact O-N 3.43Å
521	D	97.8	Very high	98.4	Very high	71 Å²	71	39.4 Å²	39.4	38%	0.38	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	29.8	177	-170.9	54.4	0	0	0	113.9	E494 K530	E494-D521 PolarHBondContact OE2-N 2.88Å; D521-K530 WeakPolarHBondContact O-CE 3.44Å; D521-K530 PolarHBondContact O-NZ 2.92Å; D521-K530 IonicContact OD2-NZ 3.64Å; D521-K530 PolarHBondContact OD2-NZ 3.27Å
522	C	98.5	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.			trans	-110.4	127	-177.8	-175.4	0	0	0	0	110.6	A493 K495 D496 I519 E520 K530	A493-C522 CarbonylContact C-O 3.59Å; A493-C522 HydrophobicContact CB-CB 3.95Å; A493-C522 WeakPolarHBondContact CB-O 3.33Å; K495-C522 CarbonylContact C-O 3.52Å; K495-C522 VanDerWaalsContact CA-O 3.28Å; K495-C522 WeakPolarHBondContact CA-O 3.33Å; K495-C522 WeakPolarHBondContact CB-O 3.37Å; K495-C522 PolarHBondContact N-O 3.32Å; D496-C522 PolarHBondContact N-O 2.95Å; I519-C522 HydrophobicContact CB-CB 3.91Å; I519-C522 HydrophobicContact CG2-CB 3.65Å; I519-C522 WeakPolarHBondContact O-CB 3.26Å; E520-C522 PolarHBondContact O-N 3.43Å; C522-K530 HydrophobicContact CB-CG 3.78Å
523	G	98.3	Very high	98.3	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	21%	0.208	C	C	.	.			trans	-81.9	-161.4	171.2	0	0	0	0	0	113.4	A493 T526 D529	A493-G523 WeakPolarHBondContact CB-O 3.27Å; G523-T526 PolarHBondContact O-OG1 3.43Å; G523-T526 VanDerWaalsContact O-OG1 3.12Å; G523-D529 PolarHBondContact N-OD2 2.97Å
524	H	98.5	Very high	98.4	Very high	28 Å²	28	36.7 Å²	36.7	13%	0.13	18%	0.18	C	C	.	.	S	Bend	trans	-67.8	-36.5	-175.4	-174.2	72.8	0	0	0	113.7	H334 D335 N359 D496 T526	H334-H524 PolarHBondContact NE2-O 3.49Å; D335-H524 IonicContact OD1-CE1 3.2Å; D335-H524 IonicContact OD1-NE2 3.57Å; N359-H524 PolarHBondContact ND2-O 3.09Å; D496-H524 IonicContact OD1-ND1 3.68Å; D496-H524 IonicContact OD2-CE1 2.83Å; D496-H524 IonicContact OD2-CG 2.97Å; D496-H524 IonicContact OD2-ND1 2.97Å; D496-H524 PolarHBondContact OD2-ND1 3Å; H524-T526 PolarHBondContact O-N 3.16Å; H524-T526 PolarHBondContact O-OG1 3.34Å
525	W	98.6	Very high	98.4	Very high	18 Å²	18	36.2 Å²	36.2	7%	0.068	18%	0.177	C	C	.	.			trans	-84.4	53.5	-174.3	-50.3	107.4	0	0	0	112.3	E269 L408 F409 M441 Q527 M528 D529	E269-W525 HydrophobicContact CG-CE3 4.32Å; E269-W525 HydrophobicContact CG-CZ3 3.74Å; L408-W525 HydrophobicContact CB-CZ2 3.94Å; L408-W525 PolarHBondContact O-NE1 2.93Å; F409-W525 AromaticContact CD1-CD2 3.66Å; F409-W525 HydrophobicContact CD1-CD2 3.66Å; F409-W525 AromaticContact CD1-CE2 3.66Å; F409-W525 AromaticContact CD1-CE3 3.8Å; F409-W525 HydrophobicContact CD1-CE3 3.8Å; F409-W525 HydrophobicContact CD1-CG 4.3Å; F409-W525 AromaticContact CD1-CH2 3.96Å; F409-W525 HydrophobicContact CD1-CH2 3.96Å; F409-W525 AromaticContact CD1-CZ2 3.8Å; F409-W525 HydrophobicContact CD1-CZ2 3.8Å; F409-W525 AromaticContact CD1-CZ3 3.96Å; F409-W525 HydrophobicContact CD1-CZ3 3.96Å; F409-W525 HydrophobicContact CE1-CD2 4.16Å; F409-W525 AromaticContact CE1-CE3 3.81Å; F409-W525 HydrophobicContact CE1-CE3 3.81Å; F409-W525 AromaticContact CE1-CH2 3.75Å; F409-W525 HydrophobicContact CE1-CH2 3.75Å; F409-W525 HydrophobicContact CE1-CZ2 4.07Å; F409-W525 AromaticContact CE1-CZ3 3.61Å; F409-W525 HydrophobicContact CE1-CZ3 3.61Å; M441-W525 HydrophobicContact CE-CB 4.06Å; M441-W525 HydrophobicContact CE-CG 4.28Å; W525-Q527 VanDerWaalsContact C-N 3.29Å; W525-Q527 PolarHBondContact O-N 2.88Å; W525-Q527 VanDerWaalsContact O-N 3.12Å; W525-M528 HydrophobicContact CB-CG 3.86Å; W525-M528 HydrophobicContact CB-SD 4.32Å; W525-M528 WeakPolarHBondContact O-CG 3.4Å; W525-M528 PolarHBondContact O-N 3.35Å; W525-D529 WeakPolarHBondContact O-CB 3.49Å; W525-D529 PolarHBondContact O-N 3.29Å
526	T	98.8	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.3	-37.1	-161.9	-60.2	0	0	0	0	114.6	L358 N359 I519 G523 H524 M528 K530 V534	L358-T526 HydrophobicContact CD1-CG2 4.4Å; N359-T526 VanDerWaalsContact CG-OG1 3.3Å; N359-T526 PolarHBondContact ND2-OG1 2.97Å; N359-T526 PolarHBondContact OD1-OG1 3.41Å; I519-T526 HydrophobicContact CD1-CG2 3.87Å; G523-T526 PolarHBondContact O-OG1 3.43Å; G523-T526 VanDerWaalsContact O-OG1 3.12Å; H524-T526 PolarHBondContact O-N 3.16Å; H524-T526 PolarHBondContact O-OG1 3.34Å; T526-M528 VanDerWaalsContact C-N 3.26Å; T526-M528 PolarHBondContact O-N 3.28Å; T526-K530 PolarHBondContact O-N 3.47Å; T526-V534 HydrophobicContact CG2-CG2 3.61Å; T526-V534 WeakPolarHBondContact O-CG2 3.37Å
527	Q	98.4	Very high	98.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-30.6	179.7	-54.2	93.6	-41.8	0	0	113.3	S273 W274 Q277 H334 L358 W525 P531	S273-Q527 VanDerWaalsContact O-CB 3.23Å; S273-Q527 WeakPolarHBondContact O-CB 3.46Å; W274-Q527 HydrophobicContact CD2-CG 4.05Å; W274-Q527 HydrophobicContact CE3-CB 4.48Å; W274-Q527 HydrophobicContact CE3-CG 3.61Å; W274-Q527 HydrophobicContact CH2-CG 3.84Å; W274-Q527 HydrophobicContact CZ2-CG 4.24Å; W274-Q527 HydrophobicContact CZ3-CG 3.5Å; W274-Q527 VanDerWaalsContact CZ3-CG 3.5Å; Q277-Q527 PolarHBondContact NE2-O 3.4Å; H334-Q527 PolarHBondContact ND1-NE2 2.82Å; L358-Q527 HydrophobicContact CD1-CG 3.93Å; W525-Q527 VanDerWaalsContact C-N 3.29Å; W525-Q527 PolarHBondContact O-N 2.88Å; W525-Q527 VanDerWaalsContact O-N 3.12Å; Q527-P531 WeakPolarHBondContact O-CA 3.27Å; Q527-P531 WeakPolarHBondContact O-CB 3.35Å
528	M	97.8	Very high	98.3	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-110.6	-17.2	-178.1	67.1	-174.7	87.3	0	0	113.8	M441 V442 W525 T526	M441-M528 HydrophobicContact CE-CG 4.5Å; V442-M528 HydrophobicContact CG1-SD 3.84Å; W525-M528 HydrophobicContact CB-CG 3.86Å; W525-M528 HydrophobicContact CB-SD 4.32Å; W525-M528 WeakPolarHBondContact O-CG 3.4Å; W525-M528 PolarHBondContact O-N 3.35Å; T526-M528 VanDerWaalsContact C-N 3.26Å; T526-M528 PolarHBondContact O-N 3.28Å
529	D	98.1	Very high	98.3	Very high	18 Å²	18	32.9 Å²	32.9	10%	0.096	17%	0.167	C	C	.	.	H	α-helix	trans	-72.6	-54.3	171.6	-165.6	-22	0	0	0	110.8	M441 G523 W525 P531	M441-D529 VanDerWaalsContact SD-CA 3.57Å; M441-D529 HydrophobicContact SD-CB 3.56Å; M441-D529 VanDerWaalsContact SD-CB 3.56Å; G523-D529 PolarHBondContact N-OD2 2.97Å; W525-D529 WeakPolarHBondContact O-CB 3.49Å; W525-D529 PolarHBondContact O-N 3.29Å; D529-P531 WeakPolarHBondContact O-CD 3.35Å
530	K	98.3	Very high	98.3	Very high	37 Å²	37	40 Å²	40	16%	0.161	20%	0.198	C	C	.	.	S	Bend	trans	-126.5	60.4	-176.8	-58	-62.6	-174.8	-171.7	0	112	I519 D521 C522 T526 A532 E533 V534	I519-K530 HydrophobicContact CG2-CB 3.67Å; I519-K530 HydrophobicContact CG2-CG 3.67Å; D521-K530 WeakPolarHBondContact O-CE 3.44Å; D521-K530 PolarHBondContact O-NZ 2.92Å; D521-K530 IonicContact OD2-NZ 3.64Å; D521-K530 PolarHBondContact OD2-NZ 3.27Å; C522-K530 HydrophobicContact CB-CG 3.78Å; T526-K530 PolarHBondContact O-N 3.47Å; K530-A532 VanDerWaalsContact C-N 3.31Å; K530-A532 PolarHBondContact O-N 3.14Å; K530-E533 VanDerWaalsContact C-OE2 3.31Å; K530-E533 WeakPolarHBondContact CA-OE2 3.28Å; K530-E533 HydrophobicContact CB-CB 4.2Å; K530-E533 HydrophobicContact CB-CG 4.4Å; K530-E533 WeakPolarHBondContact CB-OE2 3.47Å; K530-E533 PolarHBondContact O-N 3.29Å; K530-V534 WeakPolarHBondContact O-CG2 3.34Å; K530-V534 PolarHBondContact O-N 2.91Å
531	P	98.3	Very high	98.3	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-34.7	-171.4	22.3	-32.8	0	0	0	113.6	L228 P229 Y276 Q527 D529 N535	L228-P531 HydrophobicContact CD2-CG 3.82Å; P229-P531 HydrophobicContact CG-CB 4.03Å; P229-P531 HydrophobicContact CG-CG 4.44Å; Y276-P531 HydrophobicContact CD2-CB 3.88Å; Y276-P531 HydrophobicContact CD2-CG 4.22Å; Y276-P531 HydrophobicContact CG-CB 3.76Å; Y276-P531 HydrophobicContact CG-CG 4.32Å; Q527-P531 WeakPolarHBondContact O-CA 3.27Å; Q527-P531 WeakPolarHBondContact O-CB 3.35Å; D529-P531 WeakPolarHBondContact O-CD 3.35Å; P531-N535 WeakPolarHBondContact O-CB 3.43Å; P531-N535 PolarHBondContact O-N 2.7Å; P531-N535 PolarHBondContact O-ND2 3.37Å; P531-N535 PolarHBondContact O-OD1 3.47Å
532	A	97	Very high	98.3	Very high	50 Å²	50	30.1 Å²	30.1	41%	0.413	15%	0.149	S	C	.	.	H	α-helix	trans	-69.3	-43.5	-178.5	0	0	0	0	0	111.6	P229 K530 N535 Q536	P229-A532 HydrophobicContact CG-CB 4.28Å; K530-A532 VanDerWaalsContact C-N 3.31Å; K530-A532 PolarHBondContact O-N 3.14Å; A532-N535 PolarHBondContact O-N 2.78Å; A532-Q536 WeakPolarHBondContact O-CB 3.28Å; A532-Q536 PolarHBondContact O-N 2.98Å
533	E	98.4	Very high	98.1	Very high	79 Å²	79	35.4 Å²	35.4	37%	0.369	17%	0.173	S	C	.	.	H	α-helix	trans	-66.1	-43.7	177.8	-63.4	80.5	174.8	0	0	110.8	I519 K530 N535 Q536 I537	I519-E533 HydrophobicContact CD1-CB 4.24Å; I519-E533 HydrophobicContact CG1-CB 4.46Å; I519-E533 HydrophobicContact CG2-CB 4.02Å; I519-E533 HydrophobicContact CG2-CG 4.34Å; K530-E533 VanDerWaalsContact C-OE2 3.31Å; K530-E533 WeakPolarHBondContact CA-OE2 3.28Å; K530-E533 HydrophobicContact CB-CB 4.2Å; K530-E533 HydrophobicContact CB-CG 4.4Å; K530-E533 WeakPolarHBondContact CB-OE2 3.47Å; K530-E533 PolarHBondContact O-N 3.29Å; E533-N535 PolarHBondContact O-N 2.57Å; E533-Q536 PolarHBondContact O-N 3.37Å; E533-I537 WeakPolarHBondContact O-CG1 3.33Å; E533-I537 PolarHBondContact O-N 3.37Å
534	V	98.8	Very high	98	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-50.6	172.6	170.8	0	0	0	0	110.5	Q277 L358 I519 T526 K530 Q536 I537 L538	Q277-V534 HydrophobicContact CG-CG1 3.86Å; L358-V534 HydrophobicContact CD1-CG1 4.13Å; I519-V534 HydrophobicContact CD1-CG2 3.56Å; T526-V534 HydrophobicContact CG2-CG2 3.61Å; T526-V534 WeakPolarHBondContact O-CG2 3.37Å; K530-V534 WeakPolarHBondContact O-CG2 3.34Å; K530-V534 PolarHBondContact O-N 2.91Å; V534-Q536 VanDerWaalsContact C-N 3.33Å; V534-Q536 PolarHBondContact O-N 2.79Å; V534-I537 PolarHBondContact O-N 3.48Å; V534-L538 HydrophobicContact CG1-CD1 3.73Å; V534-L538 HydrophobicContact CG1-CG 4.2Å; V534-L538 WeakPolarHBondContact O-CB 3.41Å; V534-L538 VanDerWaalsContact O-CG 3.31Å; V534-L538 WeakPolarHBondContact O-CG 3.29Å; V534-L538 PolarHBondContact O-N 2.98Å
535	N	98.6	Very high	97.7	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.053	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-45.6	179.4	-73	-12.5	0	0	0	111.5	P229 Y276 Q277 A280 P531 A532 E533 I537 L538 I539	P229-N535 WeakPolarHBondContact CB-ND2 3.45Å; P229-N535 WeakPolarHBondContact CG-ND2 3.28Å; Y276-N535 PolarHBondContact O-ND2 3.5Å; Y276-N535 PolarHBondContact O-OD1 3.38Å; Q277-N535 WeakPolarHBondContact CA-OD1 3.36Å; Q277-N535 VanDerWaalsContact CG-OD1 3.25Å; Q277-N535 WeakPolarHBondContact CG-OD1 3.4Å; A280-N535 HydrophobicContact CB-CB 4.18Å; A280-N535 VanDerWaalsContact CB-ND2 3.28Å; A280-N535 WeakPolarHBondContact CB-ND2 3.38Å; P531-N535 WeakPolarHBondContact O-CB 3.43Å; P531-N535 PolarHBondContact O-N 2.7Å; P531-N535 PolarHBondContact O-ND2 3.37Å; P531-N535 PolarHBondContact O-OD1 3.47Å; A532-N535 PolarHBondContact O-N 2.78Å; E533-N535 PolarHBondContact O-N 2.57Å; N535-I537 PolarHBondContact O-N 3.05Å; N535-L538 PolarHBondContact O-N 3.33Å; N535-I539 HydrophobicContact CB-CD1 4.45Å; N535-I539 VanDerWaalsContact O-CB 3.3Å; N535-I539 WeakPolarHBondContact O-CB 3.32Å; N535-I539 WeakPolarHBondContact O-CD1 3.47Å; N535-I539 WeakPolarHBondContact O-CG1 3.29Å; N535-I539 PolarHBondContact O-N 3.38Å
536	Q	98.1	Very high	97.2	Very high	141 Å²	141	37.3 Å²	37.3	66%	0.659	19%	0.191	S	C	*	.	H	α-helix	trans	-60.4	-47.1	179.5	-173.2	-176.7	27.7	0	0	112.1	A532 E533 V534 K540	A532-Q536 WeakPolarHBondContact O-CB 3.28Å; A532-Q536 PolarHBondContact O-N 2.98Å; E533-Q536 PolarHBondContact O-N 3.37Å; V534-Q536 VanDerWaalsContact C-N 3.33Å; V534-Q536 PolarHBondContact O-N 2.79Å; Q536-K540 VanDerWaalsContact O-CB 3.27Å; Q536-K540 WeakPolarHBondContact O-CB 3.35Å; Q536-K540 PolarHBondContact O-N 3.37Å
537	I	98.8	Very high	96.1	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.185	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-49.1	-179.8	-70.8	165.1	0	0	0	110.5	L489 V491 I519 E533 V534 N535 W541	L489-I537 HydrophobicContact CD2-CG2 3.98Å; V491-I537 HydrophobicContact CG1-CD1 4.3Å; V491-I537 HydrophobicContact CG2-CG2 3.84Å; I519-I537 HydrophobicContact CD1-CD1 4.07Å; I519-I537 HydrophobicContact CG1-CD1 3.68Å; E533-I537 WeakPolarHBondContact O-CG1 3.33Å; E533-I537 PolarHBondContact O-N 3.37Å; V534-I537 PolarHBondContact O-N 3.48Å; N535-I537 PolarHBondContact O-N 3.05Å; I537-W541 WeakPolarHBondContact O-CB 3.23Å; I537-W541 PolarHBondContact O-N 2.9Å
538	L	98.8	Very high	94.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-46.7	-176.9	-67.5	-176.6	0	0	0	111.8	L281 I332 A356 L358 L489 V534 N535 K540 W541 L542	L281-L538 HydrophobicContact CD2-CB 4.25Å; I332-L538 HydrophobicContact CD1-CD1 4.25Å; I332-L538 HydrophobicContact CD1-CD2 4.23Å; I332-L538 HydrophobicContact CG2-CD1 4.24Å; I332-L538 HydrophobicContact CG2-CD2 4.22Å; A356-L538 HydrophobicContact CB-CD2 4.41Å; L358-L538 HydrophobicContact CD2-CD2 4.38Å; L489-L538 HydrophobicContact CD2-CD2 4.01Å; V534-L538 HydrophobicContact CG1-CD1 3.73Å; V534-L538 HydrophobicContact CG1-CG 4.2Å; V534-L538 WeakPolarHBondContact O-CB 3.41Å; V534-L538 VanDerWaalsContact O-CG 3.31Å; V534-L538 WeakPolarHBondContact O-CG 3.29Å; V534-L538 PolarHBondContact O-N 2.98Å; N535-L538 PolarHBondContact O-N 3.33Å; L538-K540 PolarHBondContact O-N 3.07Å; L538-W541 PolarHBondContact O-N 3.04Å; L538-L542 WeakPolarHBondContact O-CB 3.39Å; L538-L542 WeakPolarHBondContact O-CG 3.45Å; L538-L542 PolarHBondContact O-N 3Å
539	I	98.4	Very high	92.7	Very high	38 Å²	38	52 Å²	52	20%	0.195	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-48.1	-179.7	-68.7	167.6	0	0	0	110.4	A280 L281 A284 N535 W541 L542 E543	A280-I539 HydrophobicContact CB-CD1 4.35Å; L281-I539 HydrophobicContact CD2-CG1 3.73Å; A284-I539 HydrophobicContact CB-CD1 4.13Å; A284-I539 HydrophobicContact CB-CG1 3.93Å; A284-I539 HydrophobicContact CB-CG2 3.92Å; N535-I539 HydrophobicContact CB-CD1 4.45Å; N535-I539 VanDerWaalsContact O-CB 3.3Å; N535-I539 WeakPolarHBondContact O-CB 3.32Å; N535-I539 WeakPolarHBondContact O-CD1 3.47Å; N535-I539 WeakPolarHBondContact O-CG1 3.29Å; N535-I539 PolarHBondContact O-N 3.38Å; I539-W541 VanDerWaalsContact C-N 3.31Å; I539-W541 PolarHBondContact O-N 2.96Å; I539-L542 PolarHBondContact O-N 3.16Å; I539-E543 HydrophobicContact CG2-CG 4.36Å; I539-E543 WeakPolarHBondContact O-CB 3.34Å; I539-E543 WeakPolarHBondContact O-CG 3.32Å; I539-E543 PolarHBondContact O-N 2.77Å
540	K	97.8	Very high	90.3	Very high	156 Å²	156	55.2 Å²	55.2	68%	0.678	29%	0.286	S	S	*	.	H	α-helix	trans	-58.3	-43.1	178.4	-177.8	-177.1	-176.2	-176.2	0	112.1	Q536 L538 S544	Q536-K540 VanDerWaalsContact O-CB 3.27Å; Q536-K540 WeakPolarHBondContact O-CB 3.35Å; Q536-K540 PolarHBondContact O-N 3.37Å; L538-K540 PolarHBondContact O-N 3.07Å; K540-S544 PolarHBondContact O-N 2.72Å; K540-S544 PolarHBondContact O-OG 3.35Å
541	W	98.3	Very high	87.7	Confident	9 Å²	9	60.1 Å²	60.1	3%	0.034	32%	0.319	C	S	.	.	H	α-helix	trans	-68.5	-45.6	178.1	172.9	71.5	0	0	0	111.9	V330 A354 V355 A356 L489 I537 L538 I539 E543 S544 D545	V330-W541 HydrophobicContact CG1-CH2 3.81Å; V330-W541 HydrophobicContact CG1-CZ3 3.74Å; A354-W541 HydrophobicContact CB-CH2 3.5Å; A354-W541 VanDerWaalsContact CB-CH2 3.5Å; A354-W541 HydrophobicContact CB-CZ2 3.64Å; V355-W541 WeakPolarHBondContact O-CH2 2.97Å; V355-W541 WeakPolarHBondContact O-CZ2 3.44Å; A356-W541 HydrophobicContact CB-CE3 4.27Å; A356-W541 HydrophobicContact CB-CH2 3.89Å; A356-W541 HydrophobicContact CB-CZ2 4.49Å; A356-W541 HydrophobicContact CB-CZ3 3.77Å; L489-W541 HydrophobicContact CB-CD2 3.85Å; L489-W541 HydrophobicContact CB-CE3 4.49Å; L489-W541 HydrophobicContact CB-CG 4.03Å; L489-W541 HydrophobicContact CB-CZ2 4.06Å; L489-W541 HydrophobicContact CD2-CB 3.85Å; L489-W541 HydrophobicContact CD2-CD2 3.84Å; L489-W541 HydrophobicContact CD2-CE3 4.12Å; L489-W541 HydrophobicContact CD2-CG 3.71Å; L489-W541 HydrophobicContact CG-CD2 4.44Å; L489-W541 HydrophobicContact CG-CG 4.3Å; I537-W541 WeakPolarHBondContact O-CB 3.23Å; I537-W541 PolarHBondContact O-N 2.9Å; L538-W541 PolarHBondContact O-N 3.04Å; I539-W541 VanDerWaalsContact C-N 3.31Å; I539-W541 PolarHBondContact O-N 2.96Å; W541-E543 VanDerWaalsContact C-N 3.33Å; W541-E543 PolarHBondContact O-N 3.5Å; W541-S544 PolarHBondContact O-N 2.82Å; W541-S544 PolarHBondContact O-OG 3.27Å; W541-D545 PolarHBondContact O-N 3.05Å
542	L	97.9	Very high	85.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.341	C	S	.	.	I	π-helix	trans	-59.7	-43.8	179.3	-73	167	0	0	0	111.7	V261 L281 Y286 V330 I332 L538 I539 S544 A546 R547	V261-L542 HydrophobicContact CG2-CD1 4.46Å; V261-L542 HydrophobicContact CG2-CD2 4.13Å; L281-L542 HydrophobicContact CD2-CD1 3.6Å; Y286-L542 HydrophobicContact CD2-CD1 4.17Å; Y286-L542 HydrophobicContact CE1-CB 3.97Å; Y286-L542 HydrophobicContact CE1-CD2 4.44Å; Y286-L542 HydrophobicContact CE2-CB 3.85Å; Y286-L542 HydrophobicContact CE2-CD1 4.08Å; Y286-L542 HydrophobicContact CG-CD1 4.49Å; Y286-L542 VanDerWaalsContact CZ-CB 3.46Å; Y286-L542 WeakPolarHBondContact OH-CB 3.47Å; Y286-L542 PolarHBondContact OH-O 3.49Å; V330-L542 HydrophobicContact CB-CD2 4.33Å; V330-L542 HydrophobicContact CG1-CD2 3.77Å; V330-L542 HydrophobicContact CG2-CD2 4.16Å; I332-L542 HydrophobicContact CD1-CD1 4.5Å; I332-L542 HydrophobicContact CD1-CD2 4.49Å; L538-L542 WeakPolarHBondContact O-CB 3.39Å; L538-L542 WeakPolarHBondContact O-CG 3.45Å; L538-L542 PolarHBondContact O-N 3Å; I539-L542 PolarHBondContact O-N 3.16Å; L542-S544 VanDerWaalsContact C-N 3.3Å; L542-S544 PolarHBondContact O-N 3.33Å; L542-A546 HydrophobicContact CB-CB 4.27Å; L542-A546 HydrophobicContact CD2-CB 3.63Å; L542-A546 CarbonylContact O-C 3.51Å; L542-A546 WeakPolarHBondContact O-CA 3.44Å; L542-A546 VanDerWaalsContact O-CB 3.31Å; L542-A546 WeakPolarHBondContact O-CB 3.48Å; L542-A546 PolarHBondContact O-N 3.04Å; L542-R547 PolarHBondContact O-N 3.03Å
543	E	95.1	Very high	82	Confident	110 Å²	110	65.3 Å²	65.3	51%	0.514	35%	0.348	S	S	.	.	I	π-helix	trans	-61.9	-37.5	178.1	-75.1	178.8	166.6	0	0	112.7	Y286 I539 W541	Y286-E543 WeakPolarHBondContact OH-CA 3.29Å; Y286-E543 PolarHBondContact OH-N 2.95Å; Y286-E543 VanDerWaalsContact OH-N 3.16Å; I539-E543 HydrophobicContact CG2-CG 4.36Å; I539-E543 WeakPolarHBondContact O-CB 3.34Å; I539-E543 WeakPolarHBondContact O-CG 3.32Å; I539-E543 PolarHBondContact O-N 2.77Å; W541-E543 VanDerWaalsContact C-N 3.33Å; W541-E543 PolarHBondContact O-N 3.5Å
544	S	94.4	Very high	78.8	Confident	68 Å²	68	71.5 Å²	71.5	48%	0.476	37%	0.374	S	S	.	.	I	π-helix	trans	-86	-32	-175.9	56.3	0	0	0	0	114.3	K540 W541 L542	K540-S544 PolarHBondContact O-N 2.72Å; K540-S544 PolarHBondContact O-OG 3.35Å; W541-S544 PolarHBondContact O-N 2.82Å; W541-S544 PolarHBondContact O-OG 3.27Å; L542-S544 VanDerWaalsContact C-N 3.3Å; L542-S544 PolarHBondContact O-N 3.33Å
545	D	93.6	Very high	75.6	Confident	20 Å²	20	83.4 Å²	83.4	11%	0.107	43%	0.433	C	S	.	.	I	π-helix	trans	-123	-22	-170.6	-61.1	-74.6	0	0	0	114.7	R353 P487 K515 W541	R353-D545 PolarHBondContact NH1-O 3.23Å; R353-D545 VanDerWaalsContact NH1-O 3.17Å; R353-D545 PolarHBondContact NH2-O 2.98Å; P487-D545 HydrophobicContact CB-CB 3.87Å; K515-D545 WeakPolarHBondContact CD-OD2 3.49Å; K515-D545 VanDerWaalsContact CE-OD1 3.29Å; K515-D545 WeakPolarHBondContact CE-OD1 3.45Å; K515-D545 VanDerWaalsContact CE-OD2 3.31Å; K515-D545 WeakPolarHBondContact CE-OD2 3.37Å; K515-D545 IonicContact NZ-OD1 3.03Å; K515-D545 PolarHBondContact NZ-OD1 2.99Å; K515-D545 IonicContact NZ-OD2 3.39Å; K515-D545 PolarHBondContact NZ-OD2 3.29Å; W541-D545 PolarHBondContact O-N 3.05Å
546	A	86.9	Confident	74.5	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	45%	0.451	C	S	.	.	I	π-helix	trans	-107	-15	-169.2	0	0	0	0	0	115.2	V330 R353 A354 L542	V330-A546 HydrophobicContact CG2-CB 3.76Å; R353-A546 PolarHBondContact NE-O 2.72Å; R353-A546 PolarHBondContact NH2-O 3.19Å; A354-A546 HydrophobicContact CB-CB 4.15Å; L542-A546 HydrophobicContact CB-CB 4.27Å; L542-A546 HydrophobicContact CD2-CB 3.63Å; L542-A546 CarbonylContact O-C 3.51Å; L542-A546 WeakPolarHBondContact O-CA 3.44Å; L542-A546 VanDerWaalsContact O-CB 3.31Å; L542-A546 WeakPolarHBondContact O-CB 3.48Å; L542-A546 PolarHBondContact O-N 3.04Å
547	R	77.3	Confident	73.2	Confident	115 Å²	115	84.2 Å²	84.2	43%	0.434	44%	0.441	S	S	.	.	S	Bend	trans	-75.7	-59.3	170.4	-97.7	178.8	179.3	-177.1	2.9	112.7	P259 A284 G285 Y286 R353 L542	P259-R547 HydrophobicContact CG-CG 4.23Å; A284-R547 PolarHBondContact O-NH2 3.45Å; A284-R547 VanDerWaalsContact O-NH2 3.1Å; G285-R547 PolarHBondContact O-NH2 2.82Å; Y286-R547 HydrophobicContact CE1-CG 4.24Å; R353-R547 PolarHBondContact NH2-O 3.29Å; L542-R547 PolarHBondContact O-N 3.03Å
548	N	67.2	Low	71.8	Confident	138 Å²	138	86.9 Å²	86.9	74%	0.738	46%	0.455	S	S	*	.	S	Bend	trans	-117.7	106.1	177.9	-63.3	-37.2	0	0	0	109.6
549	P	56.3	Low	70.2	Confident	62 Å²	62	92 Å²	92	40%	0.403	48%	0.482	S	S	.	.			trans	-68.3	136.9	-177	8.6	-3	0	0	0	106.3	R353 V551	R353-P549 VanDerWaalsContact CZ-CB 3.4Å; R353-P549 VanDerWaalsContact NH2-CA 3.33Å; P549-V551 PolarHBondContact O-N 3.5Å; P549-V551 VanDerWaalsContact O-N 3.1Å
550	P	48.3	Very low	68.4	Low	85 Å²	85	95.4 Å²	95.4	55%	0.552	50%	0.499	S	S	*	.			trans	-53.3	126	157.2	22.7	-28.6	0	0	0	106.7	V552	P550-V552 VanDerWaalsContact C-N 3.29Å; P550-V552 PolarHBondContact O-N 2.89Å
551	V	42.4	Very low	66.5	Low	140 Å²	140	91.3 Å²	91.3	85%	0.848	49%	0.488	S	S	*	.			trans	-60.9	97.1	177.8	178.8	0	0	0	0	106.6	P549 S553	P549-V551 PolarHBondContact O-N 3.5Å; P549-V551 VanDerWaalsContact O-N 3.1Å; V551-S553 PolarHBondContact O-N 3.16Å
552	V	45.9	Very low	64.2	Low	83 Å²	83	97.2 Å²	97.2	50%	0.503	52%	0.52	S	S	.	.			trans	-71.9	104.5	169.2	-174.5	0	0	0	0	104.7	P550 K554	P550-V552 VanDerWaalsContact C-N 3.29Å; P550-V552 PolarHBondContact O-N 2.89Å; V552-K554 PolarHBondContact O-N 3.32Å
553	S	31.6	Very low	61.6	Low	80 Å²	80	104.7 Å²	104.7	56%	0.559	56%	0.56	S	S	*	*			trans	-49.8	117	172	48.9	0	0	0	0	107.8	V551 M555	V551-S553 PolarHBondContact O-N 3.16Å; S553-M555 PolarHBondContact O-N 2.92Å
554	K	30.6	Very low	58.8	Low	210 Å²	210	104.3 Å²	104.3	91%	0.913	56%	0.564	S	S	*	*			trans	-47.5	115.2	168.7	-68.9	-179.2	177.1	-178.3	0	107.5	V552	V552-K554 PolarHBondContact O-N 3.32Å
555	M	31.5	Very low	55.6	Low	250 Å²	250	107.5 Å²	107.5	100%	1.232	57%	0.572	S	S	*	*			trans	-100.9	0	160.4	-77	-165.7	-170.1	0	0	108.3	S553	S553-M555 PolarHBondContact O-N 2.92Å

Retrieved 555 of 555 residues in 502.8 ms (Link to these results)

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