A0A3Q0KMP2_SCHMA Loading...

Phosphatidylinositol transfer protein

AlphaFold DB , UniProt , Accession A0A3Q0KMP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	89.2	Confident	97	Very high	79 Å²	79	15 Å²	15	39%	0.389	7%	0.072	S	C	.	.				0	105.9	0	-170.4	172.6	86.5	0	0	108.2	I3 L146 T208 C209 E221	M1-I3 HydrophobicContact CE-CD1 3.61Å; M1-I3 HydrophobicContact CE-CG1 3.88Å; M1-I3 HydrophobicContact CG-CG1 4.42Å; M1-L146 HydrophobicContact CE-CD2 3.79Å; M1-T208 HydrophobicContact CE-CG2 3.95Å; M1-T208 HydrophobicContact CG-CG2 3.77Å; M1-T208 HydrophobicContact SD-CG2 3.38Å; M1-T208 WeakPolarHBondContact SD-CG2 3.45Å; M1-C209 WeakPolarHBondContact CA-O 3.5Å; M1-C209 WeakPolarHBondContact CG-O 3.5Å; M1-E221 WeakPolarHBondContact CA-OE2 3.48Å; M1-E221 PolarHBondContact N-OE1 3.49Å; M1-E221 PolarHBondContact N-OE2 3.3Å
2	I	92.7	Very high	97.1	Very high	36 Å²	36	13.8 Å²	13.8	19%	0.185	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.7	173	-59.6	176.7	0	0	0	108.1	K4 C209 E221 N222 Q225	I2-K4 HydrophobicContact CG2-CG 4.06Å; I2-C209 PolarHBondContact O-N 3.33Å; I2-E221 HydrophobicContact CD1-CB 3.84Å; I2-E221 HydrophobicContact CG1-CB 4.11Å; I2-E221 PolarHBondContact N-OE2 2.82Å; I2-N222 HydrophobicContact CD1-CB 4.28Å; I2-N222 VanDerWaalsContact CD1-CG 3.41Å; I2-N222 WeakPolarHBondContact CD1-OD1 3.31Å; I2-Q225 HydrophobicContact CB-CG 4.25Å; I2-Q225 HydrophobicContact CG2-CG 3.82Å; I2-Q225 PolarHBondContact O-NE2 3.24Å; I2-Q225 VanDerWaalsContact O-NE2 3.14Å
3	I	97.1	Very high	97.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.6	178.6	-51.4	175.5	0	0	0	108	M1 L146 Q149 R150 E151 L206 T208	M1-I3 HydrophobicContact CE-CD1 3.61Å; M1-I3 HydrophobicContact CE-CG1 3.88Å; M1-I3 HydrophobicContact CG-CG1 4.42Å; I3-L146 HydrophobicContact CD1-CB 4.06Å; I3-L146 HydrophobicContact CD1-CD2 3.96Å; I3-L146 HydrophobicContact CD1-CG 4.5Å; I3-Q149 HydrophobicContact CD1-CB 4.21Å; I3-R150 HydrophobicContact CG2-CB 4.14Å; I3-R150 HydrophobicContact CG2-CG 4.21Å; I3-E151 PolarHBondContact O-N 3.49Å; I3-L206 HydrophobicContact CG2-CD1 3.57Å; I3-L206 HydrophobicContact CG2-CG 4.41Å; I3-T208 HydrophobicContact CG1-CG2 4.49Å
4	K	98.5	Very high	97.3	Very high	37 Å²	37	16.1 Å²	16.1	16%	0.161	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.6	173.5	-59	-158.7	178.3	-145.3	0	110.4	I2 F6 E151 V153 L206 V207 Q225	I2-K4 HydrophobicContact CG2-CG 4.06Å; K4-F6 HydrophobicContact CB-CD2 4.38Å; K4-F6 HydrophobicContact CB-CE2 3.75Å; K4-F6 HydrophobicContact CB-CZ 3.88Å; K4-F6 HydrophobicContact CD-CE1 4.46Å; K4-F6 HydrophobicContact CD-CZ 3.93Å; K4-E151 CarbonylContact C-O 3.53Å; K4-E151 VanDerWaalsContact CA-O 3.32Å; K4-E151 WeakPolarHBondContact CA-O 3.46Å; K4-E151 WeakPolarHBondContact CE-OE2 3.38Å; K4-E151 HydrophobicContact CG-CB 4.3Å; K4-E151 IonicContact NZ-OE1 3.1Å; K4-E151 PolarHBondContact NZ-OE1 3.16Å; K4-E151 IonicContact NZ-OE2 3.91Å; K4-E151 PolarHBondContact NZ-OE2 3.05Å; K4-V153 HydrophobicContact CD-CG2 4.33Å; K4-L206 CarbonylContact O-C 3.57Å; K4-L206 WeakPolarHBondContact O-CA 3.45Å; K4-V207 PolarHBondContact N-O 3.47Å; K4-V207 PolarHBondContact O-N 3.08Å; K4-Q225 HydrophobicContact CD-CB 4.2Å; K4-Q225 HydrophobicContact CD-CG 4.4Å; K4-Q225 HydrophobicContact CG-CG 4.37Å
5	E	98.7	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.2	168.8	179.5	-178.7	104.7	0	0	108.6	R7 H140 R150 E151 V152 V153 K205 L206	E5-R7 HydrophobicContact CG-CG 4.45Å; E5-R7 IonicContact OE1-CZ 3.57Å; E5-R7 VanDerWaalsContact OE1-CZ 3.26Å; E5-R7 IonicContact OE1-NE 2.93Å; E5-R7 PolarHBondContact OE1-NE 3Å; E5-R7 IonicContact OE1-NH2 2.7Å; E5-R7 PolarHBondContact OE1-NH2 3.05Å; E5-H140 IonicContact OE2-CE1 2.79Å; E5-H140 IonicContact OE2-ND1 3.77Å; E5-H140 PolarHBondContact OE2-ND1 2.98Å; E5-H140 VanDerWaalsContact OE2-ND1 3.1Å; E5-R150 HydrophobicContact CB-CG 3.95Å; E5-R150 VanDerWaalsContact CD-NH1 3.28Å; E5-R150 IonicContact OE1-CZ 2.8Å; E5-R150 IonicContact OE1-NH1 3.31Å; E5-R150 PolarHBondContact OE1-NH1 3.49Å; E5-R150 IonicContact OE2-CZ 2.91Å; E5-R150 IonicContact OE2-NH1 3.69Å; E5-R150 PolarHBondContact OE2-NH1 3.38Å; E5-E151 PolarHBondContact N-O 2.87Å; E5-V152 WeakPolarHBondContact O-CA 3.16Å; E5-V153 PolarHBondContact O-N 2.63Å; E5-K205 WeakPolarHBondContact CA-O 3.06Å; E5-L206 HydrophobicContact CB-CD1 4.07Å
6	F	98.8	Very high	97.4	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.5	173.9	-59.6	-83	0	0	0	109.6	K4 I8 V153 I155 Y204 K205 V207 R229 F232	K4-F6 HydrophobicContact CB-CD2 4.38Å; K4-F6 HydrophobicContact CB-CE2 3.75Å; K4-F6 HydrophobicContact CB-CZ 3.88Å; K4-F6 HydrophobicContact CD-CE1 4.46Å; K4-F6 HydrophobicContact CD-CZ 3.93Å; F6-I8 HydrophobicContact CB-CD1 3.98Å; F6-V153 CarbonylContact C-O 3.59Å; F6-V153 VanDerWaalsContact CA-O 3.23Å; F6-V153 WeakPolarHBondContact CA-O 3.49Å; F6-V153 HydrophobicContact CD1-CB 3.76Å; F6-V153 HydrophobicContact CD1-CG1 3.91Å; F6-V153 HydrophobicContact CD1-CG2 4.48Å; F6-V153 HydrophobicContact CE1-CB 4Å; F6-V153 HydrophobicContact CE1-CG1 4.04Å; F6-V153 HydrophobicContact CE1-CG2 4.28Å; F6-I155 HydrophobicContact CB-CD1 3.97Å; F6-I155 HydrophobicContact CB-CG1 4.43Å; F6-I155 HydrophobicContact CD1-CD1 3.75Å; F6-I155 HydrophobicContact CD1-CG1 4.15Å; F6-I155 HydrophobicContact CG-CD1 4.13Å; F6-Y204 CarbonylContact O-C 3.56Å; F6-Y204 WeakPolarHBondContact O-CA 3.23Å; F6-K205 HydrophobicContact CB-CB 4.42Å; F6-K205 PolarHBondContact N-O 3.06Å; F6-K205 PolarHBondContact O-N 3.14Å; F6-V207 HydrophobicContact CD2-CB 4.48Å; F6-V207 HydrophobicContact CD2-CG2 3.77Å; F6-V207 HydrophobicContact CE2-CB 4.06Å; F6-V207 HydrophobicContact CE2-CG2 3.68Å; F6-R229 HydrophobicContact CD1-CB 4.32Å; F6-R229 HydrophobicContact CD1-CG 4.26Å; F6-R229 HydrophobicContact CE1-CB 3.58Å; F6-R229 HydrophobicContact CE1-CG 3.84Å; F6-R229 HydrophobicContact CZ-CB 3.98Å; F6-F232 HydrophobicContact CB-CD2 4Å; F6-F232 HydrophobicContact CB-CE2 4.36Å; F6-F232 AromaticContact CD2-CD2 3.83Å; F6-F232 HydrophobicContact CD2-CD2 3.83Å; F6-F232 AromaticContact CD2-CE2 3.58Å; F6-F232 HydrophobicContact CD2-CE2 3.58Å; F6-F232 HydrophobicContact CE2-CD2 4.46Å; F6-F232 HydrophobicContact CE2-CE2 4.12Å; F6-F232 AromaticContact CG-CD2 3.9Å; F6-F232 HydrophobicContact CG-CD2 3.9Å; F6-F232 HydrophobicContact CG-CE2 4.13Å
7	R	98.6	Very high	97.5	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102	177.1	-64	-176.2	-179	-174.8	-3.1	108.3	E5 I134 D135 I136 E137 V152 V153 Y154 I155 Y204	E5-R7 HydrophobicContact CG-CG 4.45Å; E5-R7 IonicContact OE1-CZ 3.57Å; E5-R7 VanDerWaalsContact OE1-CZ 3.26Å; E5-R7 IonicContact OE1-NE 2.93Å; E5-R7 PolarHBondContact OE1-NE 3Å; E5-R7 IonicContact OE1-NH2 2.7Å; E5-R7 PolarHBondContact OE1-NH2 3.05Å; R7-I134 WeakPolarHBondContact CD-O 3.37Å; R7-D135 VanDerWaalsContact NH1-CA 3.33Å; R7-D135 IonicContact NH1-OD1 2.79Å; R7-I136 PolarHBondContact NH2-O 2.81Å; R7-I136 VanDerWaalsContact NH2-O 3.12Å; R7-E137 IonicContact NH2-OE2 3.17Å; R7-V152 HydrophobicContact CG-CG1 4.26Å; R7-V153 PolarHBondContact N-O 2.95Å; R7-Y154 HydrophobicContact CB-CD1 3.76Å; R7-Y154 HydrophobicContact CB-CE1 3.91Å; R7-Y154 HydrophobicContact CB-CG 4.47Å; R7-Y154 HydrophobicContact CG-CE1 4.35Å; R7-Y154 PolarHBondContact NH1-OH 3.48Å; R7-I155 PolarHBondContact O-N 3.32Å; R7-Y204 HydrophobicContact CG-CD1 3.77Å; R7-Y204 HydrophobicContact CG-CE1 4.04Å
8	I	98.7	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.3	-176.6	-52.2	84.5	0	0	0	108.7	F6 L10 I155 I157 C202 A203 K205 F232 N236	F6-I8 HydrophobicContact CB-CD1 3.98Å; I8-L10 HydrophobicContact CG2-CD1 4.42Å; I8-L10 HydrophobicContact CG2-CD2 4.45Å; I8-L10 HydrophobicContact CG2-CG 4.21Å; I8-I155 HydrophobicContact CD1-CD1 4.48Å; I8-I155 HydrophobicContact CG1-CB 4Å; I8-I155 HydrophobicContact CG1-CD1 3.99Å; I8-I155 HydrophobicContact CG1-CG1 4.36Å; I8-I155 HydrophobicContact CG1-CG2 4.41Å; I8-I155 HydrophobicContact CG2-CG2 4.44Å; I8-I157 HydrophobicContact CG2-CG2 3.97Å; I8-C202 CarbonylContact O-C 3.59Å; I8-C202 VanDerWaalsContact O-CA 3.31Å; I8-C202 WeakPolarHBondContact O-CA 3.02Å; I8-A203 HydrophobicContact CB-CB 4.28Å; I8-A203 HydrophobicContact CD1-CB 4.36Å; I8-A203 WeakPolarHBondContact CD1-O 3.47Å; I8-A203 PolarHBondContact N-O 3.06Å; I8-A203 PolarHBondContact O-N 3.13Å; I8-K205 HydrophobicContact CD1-CB 4.22Å; I8-K205 HydrophobicContact CD1-CD 3.79Å; I8-K205 HydrophobicContact CD1-CG 3.92Å; I8-F232 HydrophobicContact CD1-CB 4.41Å; I8-F232 HydrophobicContact CG1-CB 4.31Å; I8-N236 HydrophobicContact CG2-CB 3.8Å
9	I	98.3	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.3	-176.7	-54	170	0	0	0	109.1	I134 Y154 W192 W193 I200	I9-I134 HydrophobicContact CD1-CB 4.32Å; I9-I134 HydrophobicContact CD1-CD1 3.81Å; I9-I134 HydrophobicContact CD1-CG2 4.18Å; I9-I134 HydrophobicContact CG1-CB 4.3Å; I9-I134 HydrophobicContact CG1-CG2 3.91Å; I9-I134 HydrophobicContact CG2-CG2 4.09Å; I9-Y154 HydrophobicContact CD1-CD1 4.29Å; I9-W192 HydrophobicContact CG2-CH2 4.05Å; I9-W192 HydrophobicContact CG2-CZ2 4.26Å; I9-W192 WeakPolarHBondContact O-CZ2 3.43Å; I9-W193 HydrophobicContact CB-CD2 4.43Å; I9-W193 HydrophobicContact CB-CE3 4.24Å; I9-W193 HydrophobicContact CD1-CD2 3.61Å; I9-W193 VanDerWaalsContact CD1-CE2 3.45Å; I9-W193 HydrophobicContact CD1-CE3 3.86Å; I9-W193 HydrophobicContact CD1-CG 4.25Å; I9-W193 HydrophobicContact CD1-CH2 3.8Å; I9-W193 HydrophobicContact CD1-CZ2 3.55Å; I9-W193 HydrophobicContact CD1-CZ3 3.95Å; I9-W193 HydrophobicContact CG2-CB 3.71Å; I9-W193 HydrophobicContact CG2-CD2 3.87Å; I9-W193 HydrophobicContact CG2-CE3 3.97Å; I9-W193 HydrophobicContact CG2-CG 3.77Å; I9-I200 HydrophobicContact CG2-CG2 3.94Å
10	L	98.6	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.9	-172	-68.3	160	0	0	0	111.5	I8 L12 Y17 I157 I200 M201 N236	I8-L10 HydrophobicContact CG2-CD1 4.42Å; I8-L10 HydrophobicContact CG2-CD2 4.45Å; I8-L10 HydrophobicContact CG2-CG 4.21Å; L10-L12 HydrophobicContact CB-CD1 4.44Å; L10-L12 HydrophobicContact CB-CG 4.44Å; L10-L12 PolarHBondContact O-N 3.42Å; L10-Y17 HydrophobicContact CD1-CD2 3.56Å; L10-Y17 HydrophobicContact CD1-CE2 3.35Å; L10-Y17 HydrophobicContact CD1-CG 4.48Å; L10-I157 HydrophobicContact CD2-CD1 3.82Å; L10-I157 HydrophobicContact CD2-CG2 4.25Å; L10-I200 WeakPolarHBondContact O-CA 3.47Å; L10-M201 HydrophobicContact CB-CG 3.86Å; L10-M201 HydrophobicContact CD1-CE 4.42Å; L10-M201 HydrophobicContact CD1-SD 4.42Å; L10-M201 PolarHBondContact N-O 3.4Å; L10-M201 PolarHBondContact O-N 3Å; L10-N236 WeakPolarHBondContact CD1-OD1 3.38Å; L10-N236 HydrophobicContact CD2-CB 3.92Å
11	P	97.8	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-83.7	52.4	177.1	38.7	-39.4	0	0	0	111.8	R184 L187 W192 L198 P199 F240	P11-R184 WeakPolarHBondContact O-CD 3.32Å; P11-L187 HydrophobicContact CB-CD2 4.28Å; P11-L187 HydrophobicContact CG-CD1 3.8Å; P11-L187 HydrophobicContact CG-CD2 4.22Å; P11-W192 HydrophobicContact CB-CH2 4.23Å; P11-W192 HydrophobicContact CB-CZ3 3.83Å; P11-W192 HydrophobicContact CG-CH2 4.28Å; P11-W192 HydrophobicContact CG-CZ3 4.28Å; P11-L198 HydrophobicContact CB-CB 4.33Å; P11-L198 HydrophobicContact CB-CD1 3.96Å; P11-P199 CarbonylContact C-O 3.54Å; P11-P199 WeakPolarHBondContact CA-O 3.22Å; P11-F240 HydrophobicContact CB-CE2 4.36Å; P11-F240 HydrophobicContact CG-CD2 3.37Å; P11-F240 HydrophobicContact CG-CE2 3.26Å; P11-F240 HydrophobicContact CG-CG 4.17Å; P11-F240 HydrophobicContact CG-CZ 3.97Å
12	L	98.4	Very high	98.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-133.4	158.4	-174.6	-61.4	175.5	0	0	0	109.9	L10 E16 Y17 P199 M201 V239 L243 W246	L10-L12 HydrophobicContact CB-CD1 4.44Å; L10-L12 HydrophobicContact CB-CG 4.44Å; L10-L12 PolarHBondContact O-N 3.42Å; L12-E16 WeakPolarHBondContact CA-OE2 3.18Å; L12-E16 HydrophobicContact CB-CB 4.45Å; L12-Y17 HydrophobicContact CD1-CD2 3.99Å; L12-P199 PolarHBondContact N-O 2.92Å; L12-M201 HydrophobicContact CB-CG 4.3Å; L12-M201 HydrophobicContact CB-SD 4.3Å; L12-M201 WeakPolarHBondContact O-CB 3.48Å; L12-M201 WeakPolarHBondContact O-CG 3.35Å; L12-M201 PolarHBondContact O-N 2.9Å; L12-V239 HydrophobicContact CD1-CG1 3.93Å; L12-L243 HydrophobicContact CD2-CD1 3.97Å; L12-L243 HydrophobicContact CD2-CD2 4.4Å; L12-W246 HydrophobicContact CD1-CH2 4.12Å; L12-W246 HydrophobicContact CD1-CZ2 4.19Å; L12-W246 HydrophobicContact CD2-CH2 3.81Å; L12-W246 HydrophobicContact CD2-CZ2 4.22Å
13	T	98.4	Very high	98.4	Very high	41 Å²	41	18.3 Å²	18.3	25%	0.252	9%	0.093	S	C	.	.			trans	-78.3	156.8	161.5	71.8	0	0	0	0	110.7	D15 E16 Y17 Q131 P199	T13-D15 PolarHBondContact O-N 3.37Å; T13-E16 PolarHBondContact N-OE2 3.29Å; T13-E16 PolarHBondContact O-N 3.19Å; T13-E16 WeakPolarHBondContact OG1-CB 3.29Å; T13-E16 VanDerWaalsContact OG1-CG 3.22Å; T13-E16 WeakPolarHBondContact OG1-CG 2.99Å; T13-E16 PolarHBondContact OG1-N 3.17Å; T13-Y17 PolarHBondContact O-N 3.37Å; T13-Q131 VanDerWaalsContact CA-OE1 3.22Å; T13-P199 HydrophobicContact CG2-CB 3.65Å; T13-P199 HydrophobicContact CG2-CG 4.12Å
14	V	98.4	Very high	98.4	Very high	19 Å²	19	18.1 Å²	18.1	12%	0.115	9%	0.092	C	C	.	.	H	α-helix	trans	-56.5	-37.5	171.7	170.6	0	0	0	0	111.3	Y17 H18 Y104 P105 H129 V130 Q131 M201	V14-Y17 PolarHBondContact O-N 3.03Å; V14-H18 PolarHBondContact O-N 2.95Å; V14-H18 VanDerWaalsContact O-N 3.1Å; V14-Y104 HydrophobicContact CG1-CE1 3.6Å; V14-Y104 WeakPolarHBondContact CG1-OH 3.45Å; V14-Y104 WeakPolarHBondContact O-CE1 3.46Å; V14-Y104 VanDerWaalsContact O-CZ 3.31Å; V14-Y104 PolarHBondContact O-OH 3.44Å; V14-P105 HydrophobicContact CG1-CB 4.3Å; V14-H129 HydrophobicContact CG1-CB 4.42Å; V14-V130 VanDerWaalsContact CG2-C 3.47Å; V14-Q131 HydrophobicContact CG2-CB 3.89Å; V14-M201 HydrophobicContact CG2-CB 4.07Å
15	D	98.2	Very high	98.4	Very high	126 Å²	126	18.7 Å²	18.7	67%	0.674	10%	0.099	S	C	*	.	H	α-helix	trans	-69	-40.4	177.8	-68.7	-21.1	0	0	0	112.5	T13 Y17 H18	T13-D15 PolarHBondContact O-N 3.37Å; D15-Y17 VanDerWaalsContact C-N 3.34Å; D15-Y17 PolarHBondContact O-N 3.12Å; D15-H18 VanDerWaalsContact O-CB 3.29Å; D15-H18 WeakPolarHBondContact O-CB 3.19Å; D15-H18 PolarHBondContact O-N 3.24Å
16	E	98.4	Very high	98.3	Very high	29 Å²	29	19 Å²	19	14%	0.136	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-42.6	175.3	-75.4	169.6	158	0	0	111.5	L12 T13 H18 V19 G20 R184 W246 H247	L12-E16 WeakPolarHBondContact CA-OE2 3.18Å; L12-E16 HydrophobicContact CB-CB 4.45Å; T13-E16 PolarHBondContact N-OE2 3.29Å; T13-E16 PolarHBondContact O-N 3.19Å; T13-E16 WeakPolarHBondContact OG1-CB 3.29Å; T13-E16 VanDerWaalsContact OG1-CG 3.22Å; T13-E16 WeakPolarHBondContact OG1-CG 2.99Å; T13-E16 PolarHBondContact OG1-N 3.17Å; E16-H18 VanDerWaalsContact C-N 3.28Å; E16-H18 PolarHBondContact O-N 3.24Å; E16-V19 PolarHBondContact O-N 3.34Å; E16-G20 PolarHBondContact O-N 2.82Å; E16-R184 VanDerWaalsContact CD-NH1 3.25Å; E16-R184 IonicContact OE1-CZ 3.75Å; E16-R184 IonicContact OE1-NH1 3.18Å; E16-R184 PolarHBondContact OE1-NH1 3.16Å; E16-R184 VanDerWaalsContact OE1-NH1 3.14Å; E16-R184 IonicContact OE1-NH2 3.81Å; E16-R184 PolarHBondContact OE1-NH2 2.77Å; E16-R184 IonicContact OE2-CZ 2.83Å; E16-R184 IonicContact OE2-NH1 2.81Å; E16-R184 PolarHBondContact OE2-NH1 3.19Å; E16-R184 IonicContact OE2-NH2 3.93Å; E16-R184 PolarHBondContact OE2-NH2 2.92Å; E16-W246 HydrophobicContact CB-CH2 4.12Å; E16-W246 HydrophobicContact CB-CZ3 3.99Å; E16-W246 WeakPolarHBondContact O-CZ3 3.4Å; E16-H247 IonicContact OE1-CD2 3.87Å; E16-H247 IonicContact OE1-NE2 3.75Å
17	Y	98.6	Very high	98.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.8	-26.4	179	-173.5	-94.8	0	0	0	113	L10 L12 T13 V14 D15 V19 Q21 Y104 H129 M201 N236 V239	L10-Y17 HydrophobicContact CD1-CD2 3.56Å; L10-Y17 HydrophobicContact CD1-CE2 3.35Å; L10-Y17 HydrophobicContact CD1-CG 4.48Å; L12-Y17 HydrophobicContact CD1-CD2 3.99Å; T13-Y17 PolarHBondContact O-N 3.37Å; V14-Y17 PolarHBondContact O-N 3.03Å; D15-Y17 VanDerWaalsContact C-N 3.34Å; D15-Y17 PolarHBondContact O-N 3.12Å; Y17-V19 VanDerWaalsContact C-N 3.29Å; Y17-V19 PolarHBondContact O-N 3.34Å; Y17-Q21 HydrophobicContact CD1-CB 4.24Å; Y17-Q21 HydrophobicContact CD1-CG 4.49Å; Y17-Q21 HydrophobicContact CE1-CB 3.81Å; Y17-Q21 HydrophobicContact CE1-CG 4.21Å; Y17-Q21 VanDerWaalsContact CE1-NE2 3.26Å; Y17-Q21 HydrophobicContact CE2-CB 4.21Å; Y17-Q21 VanDerWaalsContact O-CB 3.27Å; Y17-Q21 WeakPolarHBondContact O-CB 3.37Å; Y17-Q21 VanDerWaalsContact O-CG 3.23Å; Y17-Q21 WeakPolarHBondContact O-CG 2.97Å; Y17-Q21 PolarHBondContact O-N 2.91Å; Y17-Q21 PolarHBondContact O-NE2 3.23Å; Y17-Y104 HydrophobicContact CD1-CE2 4.42Å; Y17-H129 AromaticContact CD1-CD2 3.57Å; Y17-H129 AromaticContact CE1-CD2 3.26Å; Y17-H129 WeakPolarHBondContact CE1-CD2 3.36Å; Y17-H129 AromaticContact CE1-NE2 3.31Å; Y17-H129 VanDerWaalsContact CE1-NE2 3.31Å; Y17-H129 WeakPolarHBondContact CE1-NE2 3.28Å; Y17-M201 WeakPolarHBondContact CB-SD 3.21Å; Y17-M201 HydrophobicContact CD1-CE 3.76Å; Y17-M201 HydrophobicContact CD1-SD 4.13Å; Y17-M201 HydrophobicContact CD2-CE 4.37Å; Y17-M201 HydrophobicContact CD2-SD 4.08Å; Y17-M201 HydrophobicContact CE1-CE 4.37Å; Y17-M201 HydrophobicContact CG-CE 3.76Å; Y17-M201 HydrophobicContact CG-SD 3.54Å; Y17-M201 VanDerWaalsContact CG-SD 3.54Å; Y17-N236 WeakPolarHBondContact CE2-OD1 3.48Å; Y17-N236 PolarHBondContact OH-OD1 2.97Å; Y17-N236 VanDerWaalsContact OH-OD1 3.13Å; Y17-V239 HydrophobicContact CD2-CG1 3.98Å; Y17-V239 HydrophobicContact CE2-CG1 4.04Å; Y17-V239 HydrophobicContact CE2-CG2 4.48Å
18	H	98.4	Very high	97.9	Very high	44 Å²	44	22 Å²	22	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-55.5	-48.1	170.6	-169.4	-172.3	0	0	0	110.8	V14 D15 E16 L22 Y104	V14-H18 PolarHBondContact O-N 2.95Å; V14-H18 VanDerWaalsContact O-N 3.1Å; D15-H18 VanDerWaalsContact O-CB 3.29Å; D15-H18 WeakPolarHBondContact O-CB 3.19Å; D15-H18 PolarHBondContact O-N 3.24Å; E16-H18 VanDerWaalsContact C-N 3.28Å; E16-H18 PolarHBondContact O-N 3.24Å; H18-L22 WeakPolarHBondContact O-CD1 3.33Å; H18-L22 WeakPolarHBondContact O-CG 3.11Å; H18-Y104 HydrophobicContact CB-CD1 3.72Å; H18-Y104 HydrophobicContact CB-CE1 3.44Å; H18-Y104 VanDerWaalsContact CB-CE1 3.44Å; H18-Y104 HydrophobicContact CB-CE2 4.33Å; H18-Y104 HydrophobicContact CB-CG 4.23Å; H18-Y104 AromaticContact CD2-CD1 3.85Å; H18-Y104 AromaticContact CD2-CD2 3.98Å; H18-Y104 AromaticContact CD2-CG 3.59Å; H18-Y104 AromaticContact CG-CD1 3.44Å; H18-Y104 VanDerWaalsContact CG-CD1 3.44Å; H18-Y104 AromaticContact CG-CE1 3.76Å; H18-Y104 AromaticContact CG-CG 3.71Å; H18-Y104 PolarHBondContact N-OH 3.47Å; H18-Y104 AromaticContact ND1-CD1 3.63Å; H18-Y104 AromaticContact NE2-CG 3.93Å
19	V	98.5	Very high	97.7	Very high	19 Å²	19	22.3 Å²	22.3	12%	0.115	12%	0.122	C	C	.	.	H	α-helix	trans	-73.8	-51.6	179.3	177.1	0	0	0	0	110.7	E16 Y17 Q21 L22 W23 W246 L249 M251 I254	E16-V19 PolarHBondContact O-N 3.34Å; Y17-V19 VanDerWaalsContact C-N 3.29Å; Y17-V19 PolarHBondContact O-N 3.34Å; V19-Q21 PolarHBondContact O-N 3.19Å; V19-L22 PolarHBondContact O-N 2.92Å; V19-W23 PolarHBondContact O-N 3.34Å; V19-W246 HydrophobicContact CG1-CE3 4.41Å; V19-L249 HydrophobicContact CG1-CB 3.89Å; V19-M251 HydrophobicContact CG2-SD 4.13Å; V19-I254 HydrophobicContact CG1-CD1 3.86Å; V19-I254 HydrophobicContact CG1-CG1 3.92Å
20	G	98.5	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-39.3	-173.1	0	0	0	0	0	113.6	E16 A24	E16-G20 PolarHBondContact O-N 2.82Å; G20-A24 VanDerWaalsContact O-CB 3.22Å; G20-A24 WeakPolarHBondContact O-CB 3.23Å; G20-A24 PolarHBondContact O-N 3.29Å
21	Q	98.4	Very high	97.1	Very high	17 Å²	17	27.5 Å²	27.5	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-40.6	177.7	82.1	177.6	-78.4	0	0	111.7	Y17 V19 A24 V25 F235	Y17-Q21 HydrophobicContact CD1-CB 4.24Å; Y17-Q21 HydrophobicContact CD1-CG 4.49Å; Y17-Q21 HydrophobicContact CE1-CB 3.81Å; Y17-Q21 HydrophobicContact CE1-CG 4.21Å; Y17-Q21 VanDerWaalsContact CE1-NE2 3.26Å; Y17-Q21 HydrophobicContact CE2-CB 4.21Å; Y17-Q21 VanDerWaalsContact O-CB 3.27Å; Y17-Q21 WeakPolarHBondContact O-CB 3.37Å; Y17-Q21 VanDerWaalsContact O-CG 3.23Å; Y17-Q21 WeakPolarHBondContact O-CG 2.97Å; Y17-Q21 PolarHBondContact O-N 2.91Å; Y17-Q21 PolarHBondContact O-NE2 3.23Å; V19-Q21 PolarHBondContact O-N 3.19Å; Q21-A24 PolarHBondContact O-N 3.29Å; Q21-V25 WeakPolarHBondContact O-CB 3.45Å; Q21-V25 VanDerWaalsContact O-CG2 3.28Å; Q21-V25 WeakPolarHBondContact O-CG2 3.38Å; Q21-V25 PolarHBondContact O-N 3.02Å; Q21-F235 HydrophobicContact CB-CE1 4.31Å; Q21-F235 HydrophobicContact CB-CZ 4.31Å; Q21-F235 WeakPolarHBondContact O-CZ 3.43Å
22	L	98.3	Very high	96.7	Very high	16 Å²	16	29.9 Å²	29.9	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-70.8	-41.4	-176.5	-67.3	173.8	0	0	0	110.4	H18 V19 V25 A26 M251 I254	H18-L22 WeakPolarHBondContact O-CD1 3.33Å; H18-L22 WeakPolarHBondContact O-CG 3.11Å; V19-L22 PolarHBondContact O-N 2.92Å; L22-V25 PolarHBondContact O-N 3.3Å; L22-A26 PolarHBondContact O-N 3.15Å; L22-A26 VanDerWaalsContact O-N 3.12Å; L22-M251 HydrophobicContact CD1-CE 3.54Å; L22-M251 HydrophobicContact CD1-SD 4.29Å; L22-I254 HydrophobicContact CB-CG2 3.51Å; L22-I254 HydrophobicContact CD1-CG2 3.84Å; L22-I254 HydrophobicContact CG-CG2 4.31Å
23	W	98.5	Very high	96.4	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-47.6	172	-170.7	93.6	0	0	0	111.8	V19 V25 A26 E27 W242 K245 W246 L249 I254	V19-W23 PolarHBondContact O-N 3.34Å; W23-V25 VanDerWaalsContact C-N 3.34Å; W23-V25 PolarHBondContact O-N 2.93Å; W23-A26 WeakPolarHBondContact O-CB 3.18Å; W23-A26 PolarHBondContact O-N 3.39Å; W23-E27 HydrophobicContact CD2-CG 4.26Å; W23-E27 HydrophobicContact CE3-CG 4.11Å; W23-E27 HydrophobicContact CH2-CB 4.35Å; W23-E27 HydrophobicContact CH2-CG 3.48Å; W23-E27 VanDerWaalsContact CH2-CG 3.48Å; W23-E27 HydrophobicContact CZ2-CG 3.68Å; W23-E27 HydrophobicContact CZ3-CB 4.24Å; W23-E27 HydrophobicContact CZ3-CG 3.73Å; W23-E27 PolarHBondContact O-N 2.95Å; W23-E27 VanDerWaalsContact O-N 3.16Å; W23-W242 HydrophobicContact CE3-CB 4.36Å; W23-W242 HydrophobicContact CE3-CE3 4.15Å; W23-W242 HydrophobicContact CH2-CB 4.42Å; W23-W242 HydrophobicContact CH2-CD2 4.49Å; W23-W242 HydrophobicContact CH2-CG 4.49Å; W23-W242 HydrophobicContact CZ3-CB 3.68Å; W23-W242 AromaticContact CZ3-CD2 3.75Å; W23-W242 HydrophobicContact CZ3-CD2 3.75Å; W23-W242 AromaticContact CZ3-CE3 3.49Å; W23-W242 HydrophobicContact CZ3-CE3 3.49Å; W23-W242 VanDerWaalsContact CZ3-CE3 3.49Å; W23-W242 AromaticContact CZ3-CG 3.87Å; W23-W242 HydrophobicContact CZ3-CG 3.87Å; W23-W242 HydrophobicContact CZ3-CZ3 4.3Å; W23-K245 HydrophobicContact CH2-CB 3.6Å; W23-K245 HydrophobicContact CH2-CD 3.28Å; W23-K245 HydrophobicContact CH2-CG 4.1Å; W23-K245 HydrophobicContact CZ2-CB 3.63Å; W23-K245 HydrophobicContact CZ2-CD 3.92Å; W23-K245 HydrophobicContact CZ2-CG 4.43Å; W23-K245 HydrophobicContact CZ3-CB 4.17Å; W23-K245 HydrophobicContact CZ3-CD 4.07Å; W23-W246 HydrophobicContact CB-CB 3.76Å; W23-W246 HydrophobicContact CB-CG 4.36Å; W23-W246 HydrophobicContact CD2-CB 3.8Å; W23-W246 HydrophobicContact CD2-CG 4.4Å; W23-W246 HydrophobicContact CE3-CB 4.24Å; W23-W246 AromaticContact CE3-CD1 3.72Å; W23-W246 HydrophobicContact CE3-CG 4.37Å; W23-W246 HydrophobicContact CG-CB 3.54Å; W23-W246 HydrophobicContact CG-CG 4.39Å; W23-L249 HydrophobicContact CG-CD1 4.47Å; W23-I254 HydrophobicContact CB-CD1 3.79Å; W23-I254 HydrophobicContact CG-CD1 4.44Å
24	A	98.2	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-35.6	179.8	0	0	0	0	0	112.3	G20 Q21 A26 E27 A28 F235 V239 W242	G20-A24 VanDerWaalsContact O-CB 3.22Å; G20-A24 WeakPolarHBondContact O-CB 3.23Å; G20-A24 PolarHBondContact O-N 3.29Å; Q21-A24 PolarHBondContact O-N 3.29Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-E27 PolarHBondContact O-N 3.47Å; A24-A28 WeakPolarHBondContact O-CB 3.47Å; A24-A28 PolarHBondContact O-N 2.8Å; A24-F235 HydrophobicContact CB-CE2 3.64Å; A24-F235 HydrophobicContact CB-CZ 3.76Å; A24-V239 HydrophobicContact CB-CG2 3.54Å; A24-W242 HydrophobicContact CB-CE3 4Å; A24-W242 HydrophobicContact CB-CZ3 4.11Å
25	V	97.2	Very high	95.6	Very high	49 Å²	49	28.4 Å²	28.4	30%	0.297	16%	0.156	S	C	.	.	H	α-helix	trans	-60.8	-44	173.5	164.5	0	0	0	0	110.4	Q21 L22 W23 E27 S29 F235	Q21-V25 WeakPolarHBondContact O-CB 3.45Å; Q21-V25 VanDerWaalsContact O-CG2 3.28Å; Q21-V25 WeakPolarHBondContact O-CG2 3.38Å; Q21-V25 PolarHBondContact O-N 3.02Å; L22-V25 PolarHBondContact O-N 3.3Å; W23-V25 VanDerWaalsContact C-N 3.34Å; W23-V25 PolarHBondContact O-N 2.93Å; V25-E27 PolarHBondContact O-N 2.78Å; V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.46Å; V25-S29 PolarHBondContact O-N 3.01Å; V25-S29 PolarHBondContact O-OG 2.93Å; V25-F235 HydrophobicContact CG2-CE2 3.8Å; V25-F235 HydrophobicContact CG2-CZ 3.69Å
26	A	96.3	Very high	95.1	Very high	6 Å²	6	24.3 Å²	24.3	5%	0.05	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-46.5	178.6	0	0	0	0	0	111.8	L22 W23 A24 S29 K30 I257 T261	L22-A26 PolarHBondContact O-N 3.15Å; L22-A26 VanDerWaalsContact O-N 3.12Å; W23-A26 WeakPolarHBondContact O-CB 3.18Å; W23-A26 PolarHBondContact O-N 3.39Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A26-S29 PolarHBondContact O-N 2.9Å; A26-K30 WeakPolarHBondContact O-CG 3.26Å; A26-K30 PolarHBondContact O-N 3.01Å; A26-I257 HydrophobicContact CB-CG2 3.95Å; A26-T261 HydrophobicContact CB-CG2 4.07Å
27	E	96.3	Very high	94.7	Very high	53 Å²	53	23.9 Å²	23.9	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-72.4	-42.1	180	-69.1	-66	114.7	0	0	113.2	W23 A24 V25 S29 K30 N31 W242	W23-E27 HydrophobicContact CD2-CG 4.26Å; W23-E27 HydrophobicContact CE3-CG 4.11Å; W23-E27 HydrophobicContact CH2-CB 4.35Å; W23-E27 HydrophobicContact CH2-CG 3.48Å; W23-E27 VanDerWaalsContact CH2-CG 3.48Å; W23-E27 HydrophobicContact CZ2-CG 3.68Å; W23-E27 HydrophobicContact CZ3-CB 4.24Å; W23-E27 HydrophobicContact CZ3-CG 3.73Å; W23-E27 PolarHBondContact O-N 2.95Å; W23-E27 VanDerWaalsContact O-N 3.16Å; A24-E27 PolarHBondContact O-N 3.47Å; V25-E27 PolarHBondContact O-N 2.78Å; E27-S29 PolarHBondContact O-N 3.13Å; E27-K30 WeakPolarHBondContact O-CB 3.33Å; E27-K30 PolarHBondContact O-N 3.42Å; E27-K30 VanDerWaalsContact O-N 3.16Å; E27-K30 WeakPolarHBondContact OE1-CE 3.38Å; E27-K30 IonicContact OE1-NZ 3.97Å; E27-K30 PolarHBondContact OE1-NZ 3.25Å; E27-N31 PolarHBondContact O-N 3.27Å; E27-W242 HydrophobicContact CB-CH2 4.4Å; E27-W242 HydrophobicContact CB-CZ3 4.1Å
28	A	93.4	Very high	94.3	Very high	19 Å²	19	24 Å²	24	16%	0.157	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-36.6	175.3	0	0	0	0	0	111.3	A24 K30 N31 E32	A24-A28 WeakPolarHBondContact O-CB 3.47Å; A24-A28 PolarHBondContact O-N 2.8Å; A28-K30 VanDerWaalsContact C-N 3.29Å; A28-K30 PolarHBondContact O-N 2.76Å; A28-N31 PolarHBondContact O-N 3.21Å; A28-E32 WeakPolarHBondContact O-CB 3.4Å; A28-E32 WeakPolarHBondContact O-CG 3.46Å; A28-E32 PolarHBondContact O-N 2.9Å
29	S	93.4	Very high	94.1	Very high	8 Å²	8	22.5 Å²	22.5	6%	0.056	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-38.3	177.1	-60.7	0	0	0	0	112.4	V25 A26 E27 E32 T33 L265	V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.46Å; V25-S29 PolarHBondContact O-N 3.01Å; V25-S29 PolarHBondContact O-OG 2.93Å; A26-S29 PolarHBondContact O-N 2.9Å; E27-S29 PolarHBondContact O-N 3.13Å; S29-E32 PolarHBondContact O-N 3.04Å; S29-T33 VanDerWaalsContact O-CB 3.3Å; S29-T33 WeakPolarHBondContact O-CB 3.47Å; S29-T33 PolarHBondContact O-N 2.74Å; S29-T33 PolarHBondContact O-OG1 2.8Å; S29-L265 WeakPolarHBondContact O-CD2 3.2Å
30	K	93.3	Very high	93.9	Very high	26 Å²	26	23.2 Å²	23.2	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-68	-39.4	177.3	-61.6	170.5	-166.4	-178.2	0	111.7	A26 E27 A28 E32 T33 T261 E264 L265	A26-K30 WeakPolarHBondContact O-CG 3.26Å; A26-K30 PolarHBondContact O-N 3.01Å; E27-K30 WeakPolarHBondContact O-CB 3.33Å; E27-K30 PolarHBondContact O-N 3.42Å; E27-K30 VanDerWaalsContact O-N 3.16Å; E27-K30 WeakPolarHBondContact OE1-CE 3.38Å; E27-K30 IonicContact OE1-NZ 3.97Å; E27-K30 PolarHBondContact OE1-NZ 3.25Å; A28-K30 VanDerWaalsContact C-N 3.29Å; A28-K30 PolarHBondContact O-N 2.76Å; K30-E32 PolarHBondContact O-N 3.24Å; K30-T33 PolarHBondContact O-N 2.91Å; K30-T261 VanDerWaalsContact CE-OG1 3.29Å; K30-T261 WeakPolarHBondContact CE-OG1 3.49Å; K30-T261 HydrophobicContact CG-CG2 4.28Å; K30-T261 PolarHBondContact NZ-OG1 3.11Å; K30-E264 WeakPolarHBondContact CE-OE2 3.43Å; K30-E264 IonicContact NZ-OE2 2.94Å; K30-E264 PolarHBondContact NZ-OE2 3.21Å; K30-L265 HydrophobicContact CG-CD2 4.23Å
31	N	91.5	Very high	93.8	Very high	83 Å²	83	24 Å²	24	44%	0.444	14%	0.142	S	C	.	.	H	α-helix	trans	-68	-26.3	176.8	-67.1	-27.2	0	0	0	112.5	E27 A28 R275 G276	E27-N31 PolarHBondContact O-N 3.27Å; A28-N31 PolarHBondContact O-N 3.21Å; N31-R275 VanDerWaalsContact O-CB 3.3Å; N31-R275 WeakPolarHBondContact O-CB 3.33Å; N31-G276 WeakPolarHBondContact O-CA 3.1Å; N31-G276 PolarHBondContact O-N 3.14Å
32	E	90.8	Very high	93.7	Very high	49 Å²	49	25.9 Å²	25.9	23%	0.229	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.7	-179.2	-68.2	-64	150.9	0	0	113.9	A28 S29 K30 G38 K80 G276 T277	A28-E32 WeakPolarHBondContact O-CB 3.4Å; A28-E32 WeakPolarHBondContact O-CG 3.46Å; A28-E32 PolarHBondContact O-N 2.9Å; S29-E32 PolarHBondContact O-N 3.04Å; K30-E32 PolarHBondContact O-N 3.24Å; E32-G38 VanDerWaalsContact O-CA 3.29Å; E32-G38 WeakPolarHBondContact O-CA 3.39Å; E32-K80 PolarHBondContact O-NZ 3.28Å; E32-K80 IonicContact OE2-NZ 2.67Å; E32-K80 PolarHBondContact OE2-NZ 3.04Å; E32-G276 WeakPolarHBondContact OE1-CA 3.34Å; E32-G276 WeakPolarHBondContact OE2-CA 3.32Å; E32-T277 VanDerWaalsContact CD-N 3.3Å; E32-T277 PolarHBondContact OE1-N 3.43Å; E32-T277 PolarHBondContact OE1-OG1 3.43Å; E32-T277 PolarHBondContact OE2-N 3.22Å
33	T	91.4	Very high	93.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.			trans	-123.5	131.6	-174.2	-58	0	0	0	0	112.8	S29 K30 I39 L265 R269 R275	S29-T33 VanDerWaalsContact O-CB 3.3Å; S29-T33 WeakPolarHBondContact O-CB 3.47Å; S29-T33 PolarHBondContact O-N 2.74Å; S29-T33 PolarHBondContact O-OG1 2.8Å; K30-T33 PolarHBondContact O-N 2.91Å; T33-I39 PolarHBondContact OG1-N 3.44Å; T33-L265 HydrophobicContact CG2-CD2 4.02Å; T33-R269 HydrophobicContact CG2-CB 3.67Å; T33-R269 HydrophobicContact CG2-CG 4.25Å; T33-R275 WeakPolarHBondContact O-CD 3.41Å
34	G	90.8	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	163.9	157.4	178.6	0	0	0	0	0	113.5	G36 E37 S273 I274	G34-G36 VanDerWaalsContact C-N 3.32Å; G34-G36 PolarHBondContact O-N 3.19Å; G34-E37 PolarHBondContact N-O 3.14Å; G34-E37 PolarHBondContact O-N 3.13Å; G34-E37 VanDerWaalsContact O-N 3.09Å; G34-S273 CarbonylContact C-O 3.59Å; G34-S273 VanDerWaalsContact C-O 3.29Å; G34-I274 WeakPolarHBondContact O-CA 3.23Å
35	G	88.1	Confident	93.4	Very high	30 Å²	30	31.8 Å²	31.8	31%	0.309	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	32	170.6	0	0	0	0	0	115.6	V271 G272 S273	G35-V271 PolarHBondContact N-O 2.79Å; G35-G272 WeakPolarHBondContact CA-O 3.24Å; G35-S273 PolarHBondContact N-O 3.31Å
36	G	87.7	Confident	93.4	Very high	39 Å²	39	33.7 Å²	33.7	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-3.9	-177.5	0	0	0	0	0	114.6	G34 R269	G34-G36 VanDerWaalsContact C-N 3.32Å; G34-G36 PolarHBondContact O-N 3.19Å; G36-R269 WeakPolarHBondContact CA-O 2.84Å; G36-R269 PolarHBondContact N-O 2.76Å
37	E	90.6	Very high	93.5	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.093	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-121.2	163.9	-176.4	-65.4	-167.6	-163	0	0	112.4	G34 Y76 G79 I274	G34-E37 PolarHBondContact N-O 3.14Å; G34-E37 PolarHBondContact O-N 3.13Å; G34-E37 VanDerWaalsContact O-N 3.09Å; E37-Y76 WeakPolarHBondContact CB-O 3.32Å; E37-G79 WeakPolarHBondContact OE1-CA 3.38Å; E37-G79 PolarHBondContact OE1-N 3.13Å; E37-G79 VanDerWaalsContact OE2-CA 3.32Å; E37-G79 WeakPolarHBondContact OE2-CA 3.46Å; E37-G79 PolarHBondContact OE2-N 3.09Å; E37-I274 HydrophobicContact CG-CD1 4.4Å; E37-I274 HydrophobicContact CG-CG1 4.32Å; E37-I274 WeakPolarHBondContact OE1-CD1 3.39Å
38	G	91.2	Very high	93.6	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.4	-142.8	-179.1	0	0	0	0	0	113.3	E32 F75 Y76	E32-G38 VanDerWaalsContact O-CA 3.29Å; E32-G38 WeakPolarHBondContact O-CA 3.39Å; G38-F75 CarbonylContact O-C 3.58Å; G38-F75 WeakPolarHBondContact O-CA 3.49Å; G38-Y76 PolarHBondContact N-O 2.86Å; G38-Y76 VanDerWaalsContact N-O 3.13Å; G38-Y76 PolarHBondContact O-N 3.38Å
39	I	93.9	Very high	93.7	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.2	-163.8	-52	-178.9	0	0	0	110.4	T33 V41 K73 F75	T33-I39 PolarHBondContact OG1-N 3.44Å; I39-V41 HydrophobicContact CG2-CG2 4.45Å; I39-K73 HydrophobicContact CG2-CB 4.26Å; I39-K73 HydrophobicContact CG2-CD 3.95Å; I39-K73 HydrophobicContact CG2-CG 4.49Å; I39-F75 HydrophobicContact CD1-CD1 4.21Å; I39-F75 HydrophobicContact CD1-CE1 3.51Å; I39-F75 HydrophobicContact CD1-CZ 4.24Å; I39-F75 HydrophobicContact CG1-CD1 3.71Å; I39-F75 HydrophobicContact CG1-CE1 3.53Å; I39-F75 HydrophobicContact CG1-CZ 4.43Å
40	E	94.9	Very high	93.9	Very high	35 Å²	35	45.1 Å²	45.1	16%	0.164	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130	167	176.4	-178.7	-143.6	0	0	109	L42 K73 R74 Y76 R269	E40-L42 HydrophobicContact CG-CD2 3.87Å; E40-K73 CarbonylContact O-C 2.95Å; E40-K73 WeakPolarHBondContact O-CA 3.25Å; E40-R74 PolarHBondContact N-O 3.3Å; E40-R74 PolarHBondContact O-N 2.78Å; E40-Y76 HydrophobicContact CB-CE2 3.78Å; E40-Y76 WeakPolarHBondContact OE2-CE2 3.32Å; E40-Y76 PolarHBondContact OE2-OH 2.7Å; E40-R269 IonicContact OE1-NH2 2.84Å
41	V	96	Very high	94.1	Very high	15 Å²	15	47.2 Å²	47.2	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.2	-180	-176.5	0	0	0	0	109.4	I39 N44 K73 K262 L265	I39-V41 HydrophobicContact CG2-CG2 4.45Å; V41-N44 HydrophobicContact CG1-CB 4.16Å; V41-K73 HydrophobicContact CG2-CD 4.39Å; V41-K73 HydrophobicContact CG2-CG 4.28Å; V41-K262 HydrophobicContact CB-CB 4.23Å; V41-K262 HydrophobicContact CB-CD 4.16Å; V41-K262 HydrophobicContact CB-CG 4.02Å; V41-K262 HydrophobicContact CG1-CD 4.13Å; V41-K262 HydrophobicContact CG1-CG 4.46Å; V41-K262 WeakPolarHBondContact O-CD 3.47Å; V41-K262 WeakPolarHBondContact O-CE 3.07Å; V41-K262 PolarHBondContact O-NZ 2.96Å; V41-L265 HydrophobicContact CG2-CD1 4.08Å
42	L	96.1	Very high	94.3	Very high	57 Å²	57	45.5 Å²	45.5	30%	0.298	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-51	-177.5	-57.5	173	0	0	0	110.9	E40 H72 R74 K262	E40-L42 HydrophobicContact CG-CD2 3.87Å; L42-H72 WeakPolarHBondContact CA-O 3.42Å; L42-H72 HydrophobicContact CB-CB 4.42Å; L42-H72 WeakPolarHBondContact CB-O 3.38Å; L42-H72 PolarHBondContact N-O 3.49Å; L42-R74 HydrophobicContact CD1-CB 4.23Å; L42-K262 PolarHBondContact O-NZ 3.3Å
43	V	96.8	Very high	94.7	Very high	35 Å²	35	46.4 Å²	46.4	21%	0.212	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.9	-179.5	-174.7	0	0	0	0	109.6	E45 Y70 T71 H72	V43-E45 HydrophobicContact CG1-CB 4.17Å; V43-E45 HydrophobicContact CG1-CG 3.99Å; V43-Y70 HydrophobicContact CB-CD1 4.34Å; V43-Y70 HydrophobicContact CB-CE1 4.02Å; V43-Y70 HydrophobicContact CG1-CD1 3.77Å; V43-Y70 HydrophobicContact CG1-CE1 3.84Å; V43-T71 CarbonylContact O-C 3.55Å; V43-T71 VanDerWaalsContact O-CA 3.23Å; V43-T71 WeakPolarHBondContact O-CA 3.47Å; V43-H72 HydrophobicContact CB-CB 3.88Å; V43-H72 HydrophobicContact CG2-CB 4.05Å; V43-H72 PolarHBondContact N-O 2.67Å; V43-H72 PolarHBondContact O-N 3.4Å
44	N	96	Very high	94.9	Very high	26 Å²	26	47.4 Å²	47.4	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	89.5	168.3	-176	10.5	0	0	0	108.4	V41 Q69 Y70 T71 E258	V41-N44 HydrophobicContact CG1-CB 4.16Å; N44-Q69 WeakPolarHBondContact OD1-CG 3.38Å; N44-Q69 PolarHBondContact OD1-NE2 3.1Å; N44-Y70 WeakPolarHBondContact CA-O 3.32Å; N44-T71 HydrophobicContact CB-CG2 4.3Å; N44-E258 PolarHBondContact ND2-OE2 3.22Å
45	E	96.1	Very high	95	Very high	103 Å²	103	54.6 Å²	54.6	48%	0.481	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155	-170.5	-66.7	177.7	178.2	0	0	110.8	V43 Q69 Y70	V43-E45 HydrophobicContact CG1-CB 4.17Å; V43-E45 HydrophobicContact CG1-CG 3.99Å; E45-Q69 VanDerWaalsContact C-NE2 3.34Å; E45-Y70 PolarHBondContact N-O 3.2Å; E45-Y70 WeakPolarHBondContact O-CA 3.38Å; E45-Y70 PolarHBondContact O-N 3.02Å; E45-Y70 VanDerWaalsContact O-O 3.08Å
46	P	97.2	Very high	95.4	Very high	88 Å²	88	56 Å²	56	57%	0.571	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	148.9	171	-25.1	35.2	0	0	0	112.5	G68	P46-G68 CarbonylContact C-O 3.55Å; P46-G68 VanDerWaalsContact CA-O 3.32Å; P46-G68 WeakPolarHBondContact CA-O 3.45Å
47	F	98.3	Very high	95.8	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.022	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.6	171.7	85.6	-91	0	0	0	112.3	V51 N52 L58 S67 G68 W101 A103	F47-V51 CarbonylContact C-O 3.26Å; F47-V51 VanDerWaalsContact CA-O 3.24Å; F47-V51 WeakPolarHBondContact CA-O 3.26Å; F47-V51 WeakPolarHBondContact CB-O 3.25Å; F47-N52 HydrophobicContact CB-CB 3.93Å; F47-L58 HydrophobicContact CE2-CD1 3.77Å; F47-L58 HydrophobicContact CZ-CD1 3.51Å; F47-S67 VanDerWaalsContact CZ-C 3.49Å; F47-S67 VanDerWaalsContact O-CA 3.24Å; F47-S67 WeakPolarHBondContact O-CA 3.49Å; F47-S67 WeakPolarHBondContact O-CB 3.17Å; F47-G68 WeakPolarHBondContact CD1-O 3.4Å; F47-G68 VanDerWaalsContact CE1-CA 3.41Å; F47-G68 VanDerWaalsContact CE1-N 3.28Å; F47-G68 PolarHBondContact N-O 2.85Å; F47-G68 PolarHBondContact O-N 2.67Å; F47-G68 VanDerWaalsContact O-N 3.17Å; F47-W101 HydrophobicContact CD1-CB 4.46Å; F47-W101 AromaticContact CD2-CD1 3.86Å; F47-W101 HydrophobicContact CE1-CB 3.9Å; F47-W101 AromaticContact CG-CD1 3.88Å; F47-W101 HydrophobicContact CZ-CB 3.95Å; F47-A103 HydrophobicContact CE1-CB 4.36Å; F47-A103 HydrophobicContact CZ-CB 3.98Å
48	N	98	Very high	96.2	Very high	59 Å²	59	56.6 Å²	56.6	32%	0.316	31%	0.31	S	S	.	.			trans	-148.9	-168.6	166.5	58.7	39	0	0	0	109	Q50 V51 S66	N48-Q50 PolarHBondContact O-N 2.88Å; N48-Q50 VanDerWaalsContact O-N 3.15Å; N48-Q50 WeakPolarHBondContact OD1-CA 3.41Å; N48-Q50 WeakPolarHBondContact OD1-CB 3.47Å; N48-Q50 PolarHBondContact OD1-N 2.84Å; N48-Q50 PolarHBondContact OD1-OE1 3.16Å; N48-V51 PolarHBondContact N-O 3.46Å; N48-V51 PolarHBondContact OD1-N 2.85Å; N48-S66 CarbonylContact C-O 3.54Å; N48-S66 VanDerWaalsContact CA-O 3.29Å; N48-S66 WeakPolarHBondContact CA-O 3.42Å
49	L	96.1	Very high	96.5	Very high	108 Å²	108	61 Å²	61	57%	0.565	33%	0.328	S	S	*	.	S	Bend	trans	-67.8	-10.2	179.5	-62.3	178.9	0	0	0	114
50	Q	97	Very high	96.7	Very high	155 Å²	155	60.4 Å²	60.4	72%	0.724	33%	0.325	S	S	*	.	S	Bend	trans	-110.6	-30.5	-179.9	-63.8	74.9	32.6	0	0	113	N48	N48-Q50 PolarHBondContact O-N 2.88Å; N48-Q50 VanDerWaalsContact O-N 3.15Å; N48-Q50 WeakPolarHBondContact OD1-CA 3.41Å; N48-Q50 WeakPolarHBondContact OD1-CB 3.47Å; N48-Q50 PolarHBondContact OD1-N 2.84Å; N48-Q50 PolarHBondContact OD1-OE1 3.16Å
51	V	97.6	Very high	96.7	Very high	69 Å²	69	61.9 Å²	61.9	42%	0.418	33%	0.334	S	S	.	.	S	Bend	trans	-117.4	121.4	-176	-179.8	0	0	0	0	108.8	F47 N48	F47-V51 CarbonylContact C-O 3.26Å; F47-V51 VanDerWaalsContact CA-O 3.24Å; F47-V51 WeakPolarHBondContact CA-O 3.26Å; F47-V51 WeakPolarHBondContact CB-O 3.25Å; N48-V51 PolarHBondContact N-O 3.46Å; N48-V51 PolarHBondContact OD1-N 2.85Å
52	N	96.6	Very high	96.7	Very high	48 Å²	48	64.3 Å²	64.3	26%	0.257	36%	0.363	S	S	.	.	S	Bend	trans	48.9	48	-175.4	-60.1	-47.8	0	0	0	113.9	F47 Y70 W101	F47-N52 HydrophobicContact CB-CB 3.93Å; N52-Y70 HydrophobicContact CB-CD1 3.64Å; N52-Y70 HydrophobicContact CB-CD2 4.25Å; N52-Y70 HydrophobicContact CB-CE1 4.16Å; N52-Y70 HydrophobicContact CB-CG 3.67Å; N52-Y70 VanDerWaalsContact CG-CD1 3.5Å; N52-W101 PolarHBondContact O-NE1 2.8Å
53	P	97.3	Very high	96.7	Very high	68 Å²	68	66.6 Å²	66.6	44%	0.442	37%	0.372	S	S	.	.			trans	-66.7	145.9	-173.6	29.7	-36.1	0	0	0	112
54	P	97.1	Very high	96.7	Very high	20 Å²	20	70.4 Å²	70.4	13%	0.13	39%	0.387	C	S	.	.			trans	-67.7	145.6	171.9	31	-36.1	0	0	0	110.9	S56 L58 W101	P54-S56 WeakPolarHBondContact CB-O 3.42Å; P54-S56 PolarHBondContact O-N 3.08Å; P54-L58 HydrophobicContact CB-CD1 4.2Å; P54-L58 HydrophobicContact CB-CD2 3.81Å; P54-L58 HydrophobicContact CB-CG 3.91Å; P54-L58 HydrophobicContact CG-CD1 3.9Å; P54-L58 HydrophobicContact CG-CD2 4.27Å; P54-L58 HydrophobicContact CG-CG 3.79Å; P54-W101 HydrophobicContact CB-CD2 4.08Å; P54-W101 HydrophobicContact CB-CG 4.07Å
55	E	93.3	Very high	96.9	Very high	152 Å²	152	70.4 Å²	70.4	71%	0.71	39%	0.386	S	S	*	.	S	Bend	trans	-65.3	-23	-178.5	-65.5	-178.8	-176.8	0	0	113.4
56	S	95.8	Very high	96.9	Very high	59 Å²	59	68.3 Å²	68.3	41%	0.413	38%	0.383	S	S	.	.	S	Bend	trans	-143	157.7	174.4	59.2	0	0	0	0	109.9	P54 L58 R108	P54-S56 WeakPolarHBondContact CB-O 3.42Å; P54-S56 PolarHBondContact O-N 3.08Å; S56-L58 PolarHBondContact O-N 3.14Å; S56-R108 PolarHBondContact O-NH1 3.47Å; S56-R108 PolarHBondContact OG-NH1 3.3Å
57	P	97	Very high	97	Very high	71 Å²	71	67.5 Å²	67.5	46%	0.461	38%	0.379	S	S	.	.			trans	-52.3	137.7	179.5	-29	36.5	0	0	0	113.1	K59 R108	P57-K59 HydrophobicContact CB-CD 4.17Å; P57-K59 HydrophobicContact CB-CG 4.09Å; P57-K59 PolarHBondContact O-N 3.07Å; P57-R108 PolarHBondContact O-NH1 2.94Å; P57-R108 PolarHBondContact O-NH2 3.25Å
58	L	98.1	Very high	96.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	105.7	175.5	-59	171.9	0	0	0	107.1	F47 P54 S56 E64 F65 W101 Y106 R108	F47-L58 HydrophobicContact CE2-CD1 3.77Å; F47-L58 HydrophobicContact CZ-CD1 3.51Å; P54-L58 HydrophobicContact CB-CD1 4.2Å; P54-L58 HydrophobicContact CB-CD2 3.81Å; P54-L58 HydrophobicContact CB-CG 3.91Å; P54-L58 HydrophobicContact CG-CD1 3.9Å; P54-L58 HydrophobicContact CG-CD2 4.27Å; P54-L58 HydrophobicContact CG-CG 3.79Å; S56-L58 PolarHBondContact O-N 3.14Å; L58-E64 CarbonylContact O-C 3.49Å; L58-E64 WeakPolarHBondContact O-CA 3.3Å; L58-F65 HydrophobicContact CB-CB 3.97Å; L58-F65 WeakPolarHBondContact CB-O 3.39Å; L58-F65 WeakPolarHBondContact O-CD2 3.12Å; L58-F65 PolarHBondContact O-N 3.16Å; L58-W101 HydrophobicContact CD1-CB 3.89Å; L58-W101 HydrophobicContact CD2-CB 4.13Å; L58-Y106 HydrophobicContact CB-CD1 3.95Å; L58-Y106 HydrophobicContact CB-CE1 3.54Å; L58-Y106 HydrophobicContact CD2-CE1 3.73Å; L58-Y106 HydrophobicContact CG-CE1 4.11Å; L58-R108 HydrophobicContact CD2-CB 3.72Å
59	K	97.4	Very high	96.9	Very high	95 Å²	95	67 Å²	67	41%	0.413	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.7	-173.5	-66.9	-174.1	177.5	-163.6	0	111.2	P57 E63 E64	P57-K59 HydrophobicContact CB-CD 4.17Å; P57-K59 HydrophobicContact CB-CG 4.09Å; P57-K59 PolarHBondContact O-N 3.07Å; K59-E63 VanDerWaalsContact CA-O 3.28Å; K59-E63 WeakPolarHBondContact CA-O 3.45Å; K59-E64 WeakPolarHBondContact CE-OE2 3.49Å; K59-E64 HydrophobicContact CG-CB 4.12Å; K59-E64 HydrophobicContact CG-CG 4.06Å; K59-E64 IonicContact NZ-OE2 3.07Å; K59-E64 PolarHBondContact NZ-OE2 3.12Å
60	A	97.3	Very high	97	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	154.3	171	0	0	0	0	0	109	G62 E63 F65 Y106 M128 I139 N141	A60-G62 PolarHBondContact O-N 3.46Å; A60-G62 VanDerWaalsContact O-N 3.1Å; A60-E63 PolarHBondContact N-O 2.76Å; A60-E63 PolarHBondContact O-N 2.82Å; A60-F65 HydrophobicContact CB-CE2 4.39Å; A60-Y106 HydrophobicContact CB-CD2 3.42Å; A60-Y106 VanDerWaalsContact CB-CD2 3.42Å; A60-Y106 HydrophobicContact CB-CE2 3.65Å; A60-Y106 HydrophobicContact CB-CG 4.43Å; A60-M128 HydrophobicContact CB-CB 4.33Å; A60-M128 HydrophobicContact CB-CG 4.32Å; A60-M128 HydrophobicContact CB-SD 4.16Å; A60-I139 CarbonylContact C-O 3.55Å; A60-N141 VanDerWaalsContact CA-OD1 3.22Å; A60-N141 WeakPolarHBondContact CA-OD1 3.16Å
61	N	96.1	Very high	97.1	Very high	66 Å²	66	56.2 Å²	56.2	35%	0.353	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	28.7	177.7	-163.1	45.4	0	0	0	113.8	E63 M128 I139 N141	N61-E63 PolarHBondContact O-N 2.93Å; N61-M128 HydrophobicContact CB-CE 4.37Å; N61-I139 HydrophobicContact CB-CG1 4.1Å; N61-I139 PolarHBondContact N-O 2.9Å; N61-N141 PolarHBondContact N-OD1 2.83Å
62	G	95.1	Very high	97.1	Very high	67 Å²	67	54.3 Å²	54.3	69%	0.691	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	4.9	-176.3	0	0	0	0	0	114.7	A60 N141	A60-G62 PolarHBondContact O-N 3.46Å; A60-G62 VanDerWaalsContact O-N 3.1Å; G62-N141 PolarHBondContact N-ND2 2.81Å; G62-N141 PolarHBondContact N-OD1 2.76Å
63	E	97	Very high	97.1	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	156	178.8	-63.9	177.8	-124.7	0	0	110.9	K59 A60 N61 F65	K59-E63 VanDerWaalsContact CA-O 3.28Å; K59-E63 WeakPolarHBondContact CA-O 3.45Å; A60-E63 PolarHBondContact N-O 2.76Å; A60-E63 PolarHBondContact O-N 2.82Å; N61-E63 PolarHBondContact O-N 2.93Å; E63-F65 HydrophobicContact CB-CE2 4.09Å; E63-F65 HydrophobicContact CB-CZ 4Å
64	E	97.5	Very high	97	Very high	115 Å²	115	52.2 Å²	52.2	54%	0.537	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.9	174.3	-176.6	170.2	172.4	0	0	109.3	L58 K59	L58-E64 CarbonylContact O-C 3.49Å; L58-E64 WeakPolarHBondContact O-CA 3.3Å; K59-E64 WeakPolarHBondContact CE-OE2 3.49Å; K59-E64 HydrophobicContact CG-CB 4.12Å; K59-E64 HydrophobicContact CG-CG 4.06Å; K59-E64 IonicContact NZ-OE2 3.07Å; K59-E64 PolarHBondContact NZ-OE2 3.12Å
65	F	98.2	Very high	96.8	Very high	26 Å²	26	53 Å²	53	11%	0.114	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.8	-174.9	-55.9	-91.8	0	0	0	110.4	L58 A60 E63 A103 Y106 M128	L58-F65 HydrophobicContact CB-CB 3.97Å; L58-F65 WeakPolarHBondContact CB-O 3.39Å; L58-F65 WeakPolarHBondContact O-CD2 3.12Å; L58-F65 PolarHBondContact O-N 3.16Å; A60-F65 HydrophobicContact CB-CE2 4.39Å; E63-F65 HydrophobicContact CB-CE2 4.09Å; E63-F65 HydrophobicContact CB-CZ 4Å; F65-A103 HydrophobicContact CB-CB 3.64Å; F65-A103 HydrophobicContact CD1-CB 4.23Å; F65-A103 WeakPolarHBondContact CD1-O 3.24Å; F65-A103 HydrophobicContact CG-CB 4.19Å; F65-Y106 AromaticContact CD2-CD1 3.93Å; F65-Y106 HydrophobicContact CD2-CD1 3.93Å; F65-Y106 AromaticContact CD2-CG 3.77Å; F65-Y106 HydrophobicContact CD2-CG 3.77Å; F65-Y106 VanDerWaalsContact CE2-CB 3.47Å; F65-Y106 HydrophobicContact CE2-CD1 4.46Å; F65-Y106 HydrophobicContact CE2-CD2 4.34Å; F65-Y106 AromaticContact CE2-CG 3.85Å; F65-Y106 HydrophobicContact CE2-CG 3.85Å; F65-Y106 HydrophobicContact CG-CD1 4.34Å; F65-Y106 HydrophobicContact CG-CG 4.4Å; F65-M128 HydrophobicContact CZ-CE 4.33Å; F65-M128 HydrophobicContact CZ-SD 4.25Å
66	S	97.6	Very high	96.8	Very high	60 Å²	60	47.8 Å²	47.8	42%	0.42	27%	0.272	S	S	.	.			trans	-121.9	-7	-171	60.2	0	0	0	0	115.1	N48	N48-S66 CarbonylContact C-O 3.54Å; N48-S66 VanDerWaalsContact CA-O 3.29Å; N48-S66 WeakPolarHBondContact CA-O 3.42Å
67	S	98.2	Very high	96.4	Very high	70 Å²	70	46.8 Å²	46.8	49%	0.49	26%	0.262	S	S	.	.			trans	-154.7	157.8	-177.3	56.9	0	0	0	0	111.9	F47 A103	F47-S67 VanDerWaalsContact CZ-C 3.49Å; F47-S67 VanDerWaalsContact O-CA 3.24Å; F47-S67 WeakPolarHBondContact O-CA 3.49Å; F47-S67 WeakPolarHBondContact O-CB 3.17Å; S67-A103 WeakPolarHBondContact O-CB 3.25Å
68	G	97.6	Very high	95.8	Very high	27 Å²	27	45.8 Å²	45.8	28%	0.278	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-144.8	179.6	0	0	0	0	0	110.9	P46 F47 N102	P46-G68 CarbonylContact C-O 3.55Å; P46-G68 VanDerWaalsContact CA-O 3.32Å; P46-G68 WeakPolarHBondContact CA-O 3.45Å; F47-G68 WeakPolarHBondContact CD1-O 3.4Å; F47-G68 VanDerWaalsContact CE1-CA 3.41Å; F47-G68 VanDerWaalsContact CE1-N 3.28Å; F47-G68 PolarHBondContact N-O 2.85Å; F47-G68 PolarHBondContact O-N 2.67Å; F47-G68 VanDerWaalsContact O-N 3.17Å; G68-N102 CarbonylContact C-O 3.52Å; G68-N102 VanDerWaalsContact CA-O 3.29Å; G68-N102 WeakPolarHBondContact CA-O 3.36Å
69	Q	97.8	Very high	95.2	Very high	26 Å²	26	46.8 Å²	46.8	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.6	174.6	-166.3	74	4.6	0	0	110.9	N44 E45 N102	N44-Q69 WeakPolarHBondContact OD1-CG 3.38Å; N44-Q69 PolarHBondContact OD1-NE2 3.1Å; E45-Q69 VanDerWaalsContact C-NE2 3.34Å; Q69-N102 PolarHBondContact N-O 2.85Å; Q69-N102 PolarHBondContact O-N 3.42Å
70	Y	98.4	Very high	94.6	Very high	17 Å²	17	43 Å²	43	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.3	172.1	170	-101.6	0	0	0	110.8	V43 N44 E45 N52 H72 K99 A100 W101	V43-Y70 HydrophobicContact CB-CD1 4.34Å; V43-Y70 HydrophobicContact CB-CE1 4.02Å; V43-Y70 HydrophobicContact CG1-CD1 3.77Å; V43-Y70 HydrophobicContact CG1-CE1 3.84Å; N44-Y70 WeakPolarHBondContact CA-O 3.32Å; E45-Y70 PolarHBondContact N-O 3.2Å; E45-Y70 WeakPolarHBondContact O-CA 3.38Å; E45-Y70 PolarHBondContact O-N 3.02Å; E45-Y70 VanDerWaalsContact O-O 3.08Å; N52-Y70 HydrophobicContact CB-CD1 3.64Å; N52-Y70 HydrophobicContact CB-CD2 4.25Å; N52-Y70 HydrophobicContact CB-CE1 4.16Å; N52-Y70 HydrophobicContact CB-CG 3.67Å; N52-Y70 VanDerWaalsContact CG-CD1 3.5Å; Y70-H72 HydrophobicContact CE1-CB 4.02Å; Y70-K99 HydrophobicContact CE2-CB 4.05Å; Y70-K99 HydrophobicContact CE2-CG 4.35Å; Y70-A100 CarbonylContact C-O 3.59Å; Y70-A100 VanDerWaalsContact CA-O 3.29Å; Y70-A100 WeakPolarHBondContact CA-O 3.37Å; Y70-A100 WeakPolarHBondContact CD2-O 3.49Å; Y70-W101 AromaticContact CD2-CD1 3.85Å; Y70-W101 HydrophobicContact CD2-CD2 4.18Å; Y70-W101 AromaticContact CD2-CE2 3.75Å; Y70-W101 HydrophobicContact CD2-CG 4.25Å; Y70-W101 HydrophobicContact CD2-CZ2 4.28Å; Y70-W101 AromaticContact CD2-NE1 3.51Å; Y70-W101 HydrophobicContact CE2-CD2 4.44Å; Y70-W101 AromaticContact CE2-CE2 3.78Å; Y70-W101 HydrophobicContact CE2-CH2 4.48Å; Y70-W101 AromaticContact CE2-CZ2 3.83Å; Y70-W101 HydrophobicContact CE2-CZ2 3.83Å; Y70-W101 AromaticContact CE2-NE1 3.92Å
71	T	98.1	Very high	93.8	Very high	20 Å²	20	44 Å²	44	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.7	169	63.7	0	0	0	0	110.8	V43 N44 K99 A100	V43-T71 CarbonylContact O-C 3.55Å; V43-T71 VanDerWaalsContact O-CA 3.23Å; V43-T71 WeakPolarHBondContact O-CA 3.47Å; N44-T71 HydrophobicContact CB-CG2 4.3Å; T71-K99 CarbonylContact O-C 3.58Å; T71-K99 WeakPolarHBondContact O-CA 3.38Å; T71-A100 PolarHBondContact N-O 2.91Å; T71-A100 PolarHBondContact O-N 2.74Å
72	H	97.8	Very high	93	Very high	30 Å²	30	41.1 Å²	41.1	14%	0.139	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.8	167	-175.8	-174	0	0	0	107.4	L42 V43 Y70 D97 E98	L42-H72 WeakPolarHBondContact CA-O 3.42Å; L42-H72 HydrophobicContact CB-CB 4.42Å; L42-H72 WeakPolarHBondContact CB-O 3.38Å; L42-H72 PolarHBondContact N-O 3.49Å; V43-H72 HydrophobicContact CB-CB 3.88Å; V43-H72 HydrophobicContact CG2-CB 4.05Å; V43-H72 PolarHBondContact N-O 2.67Å; V43-H72 PolarHBondContact O-N 3.4Å; Y70-H72 HydrophobicContact CE1-CB 4.02Å; H72-D97 IonicContact CE1-OD2 3.57Å; H72-D97 IonicContact NE2-OD2 3.19Å; H72-D97 PolarHBondContact NE2-OD2 3.48Å; H72-E98 CarbonylContact C-O 3.57Å; H72-E98 VanDerWaalsContact CA-O 3.31Å; H72-E98 WeakPolarHBondContact CA-O 3.36Å
73	K	97.1	Very high	92.2	Very high	26 Å²	26	39.6 Å²	39.6	11%	0.113	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.7	177.9	-55.1	-179.5	-161.6	149.3	0	110.3	I39 E40 V41 F75 D97 E98	I39-K73 HydrophobicContact CG2-CB 4.26Å; I39-K73 HydrophobicContact CG2-CD 3.95Å; I39-K73 HydrophobicContact CG2-CG 4.49Å; E40-K73 CarbonylContact O-C 2.95Å; E40-K73 WeakPolarHBondContact O-CA 3.25Å; V41-K73 HydrophobicContact CG2-CD 4.39Å; V41-K73 HydrophobicContact CG2-CG 4.28Å; K73-F75 HydrophobicContact CB-CE2 4.47Å; K73-D97 WeakPolarHBondContact O-CA 3.3Å; K73-E98 HydrophobicContact CB-CB 4.4Å; K73-E98 WeakPolarHBondContact CD-OE1 3.3Å; K73-E98 PolarHBondContact N-O 2.92Å; K73-E98 IonicContact NZ-OE1 3.26Å; K73-E98 PolarHBondContact NZ-OE1 2.99Å; K73-E98 PolarHBondContact O-N 2.81Å
74	R	95.2	Very high	91.2	Very high	45 Å²	45	36.4 Å²	36.4	17%	0.17	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.5	169.7	-178.4	164	-71.4	149	6.7	109.8	E40 L42 Y76 E95 I96 D97	E40-R74 PolarHBondContact N-O 3.3Å; E40-R74 PolarHBondContact O-N 2.78Å; L42-R74 HydrophobicContact CD1-CB 4.23Å; R74-Y76 HydrophobicContact CB-CE2 4.27Å; R74-Y76 WeakPolarHBondContact CD-OH 3.33Å; R74-Y76 HydrophobicContact CG-CD2 4.42Å; R74-Y76 HydrophobicContact CG-CE1 4.35Å; R74-Y76 HydrophobicContact CG-CE2 3.88Å; R74-E95 HydrophobicContact CG-CB 4.38Å; R74-E95 IonicContact NE-OE2 3.75Å; R74-I96 CarbonylContact C-O 3.53Å; R74-I96 WeakPolarHBondContact CA-O 3.29Å; R74-D97 IonicContact CZ-OD1 3.73Å; R74-D97 VanDerWaalsContact CZ-OD1 3.25Å; R74-D97 IonicContact NE-OD1 2.98Å; R74-D97 PolarHBondContact NE-OD1 2.84Å; R74-D97 IonicContact NH2-OD1 2.88Å; R74-D97 PolarHBondContact NH2-OD1 2.93Å; R74-D97 IonicContact NH2-OD2 3.78Å; R74-D97 PolarHBondContact NH2-OD2 3.48Å
75	F	93.4	Very high	90.2	Very high	38 Å²	38	32.1 Å²	32.1	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.5	173.4	-66.3	-93.3	0	0	0	110.2	G38 I39 K73 L77 E95 I96 E98 L111	G38-F75 CarbonylContact O-C 3.58Å; G38-F75 WeakPolarHBondContact O-CA 3.49Å; I39-F75 HydrophobicContact CD1-CD1 4.21Å; I39-F75 HydrophobicContact CD1-CE1 3.51Å; I39-F75 HydrophobicContact CD1-CZ 4.24Å; I39-F75 HydrophobicContact CG1-CD1 3.71Å; I39-F75 HydrophobicContact CG1-CE1 3.53Å; I39-F75 HydrophobicContact CG1-CZ 4.43Å; K73-F75 HydrophobicContact CB-CE2 4.47Å; F75-L77 HydrophobicContact CB-CD1 4.18Å; F75-L77 HydrophobicContact CB-CD2 4Å; F75-L77 HydrophobicContact CB-CG 3.91Å; F75-E95 CarbonylContact O-C 3.59Å; F75-E95 VanDerWaalsContact O-CA 3.26Å; F75-E95 WeakPolarHBondContact O-CA 3.46Å; F75-I96 HydrophobicContact CB-CB 4.28Å; F75-I96 PolarHBondContact N-O 2.96Å; F75-I96 PolarHBondContact O-N 2.78Å; F75-E98 HydrophobicContact CD2-CB 4.06Å; F75-E98 HydrophobicContact CE2-CB 3.51Å; F75-E98 HydrophobicContact CE2-CG 4.14Å; F75-E98 WeakPolarHBondContact CE2-OE2 3.17Å; F75-E98 WeakPolarHBondContact CZ-OE2 3.5Å; F75-L111 HydrophobicContact CE2-CD2 4.48Å
76	Y	92.1	Very high	89.2	Confident	41 Å²	41	36.2 Å²	36.2	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	106.2	173.9	-62.4	-89.1	0	0	0	108.5	E37 G38 E40 R74 E95	E37-Y76 WeakPolarHBondContact CB-O 3.32Å; G38-Y76 PolarHBondContact N-O 2.86Å; G38-Y76 VanDerWaalsContact N-O 3.13Å; G38-Y76 PolarHBondContact O-N 3.38Å; E40-Y76 HydrophobicContact CB-CE2 3.78Å; E40-Y76 WeakPolarHBondContact OE2-CE2 3.32Å; E40-Y76 PolarHBondContact OE2-OH 2.7Å; R74-Y76 HydrophobicContact CB-CE2 4.27Å; R74-Y76 WeakPolarHBondContact CD-OH 3.33Å; R74-Y76 HydrophobicContact CG-CD2 4.42Å; R74-Y76 HydrophobicContact CG-CE1 4.35Å; R74-Y76 HydrophobicContact CG-CE2 3.88Å; Y76-E95 HydrophobicContact CD1-CG 3.84Å; Y76-E95 HydrophobicContact CE1-CG 3.95Å
77	L	88.6	Confident	88.2	Confident	39 Å²	39	40.6 Å²	40.6	20%	0.204	23%	0.226	C	C	.	.			trans	-117.9	18.9	-164.2	-57.8	177.2	0	0	0	114.2	F75 G79 K80 V81 L94 I96	F75-L77 HydrophobicContact CB-CD1 4.18Å; F75-L77 HydrophobicContact CB-CD2 4Å; F75-L77 HydrophobicContact CB-CG 3.91Å; L77-G79 VanDerWaalsContact C-N 3.32Å; L77-G79 PolarHBondContact O-N 2.79Å; L77-K80 HydrophobicContact CB-CB 4.35Å; L77-K80 HydrophobicContact CD2-CB 4.15Å; L77-K80 HydrophobicContact CD2-CD 4.11Å; L77-K80 PolarHBondContact O-N 2.66Å; L77-V81 HydrophobicContact CB-CG1 3.89Å; L77-V81 HydrophobicContact CD1-CG1 4.48Å; L77-V81 PolarHBondContact O-N 3.29Å; L77-L94 PolarHBondContact N-O 2.77Å; L77-I96 HydrophobicContact CD1-CB 4.47Å; L77-I96 HydrophobicContact CD1-CG1 3.77Å
78	A	84.6	Confident	87	Confident	50 Å²	50	40.6 Å²	40.6	41%	0.413	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-43.8	-171.9	0	0	0	0	0	113.1	R86	A78-R86 WeakPolarHBondContact O-CD 3.5Å
79	G	83.6	Confident	85.9	Confident	20 Å²	20	39.9 Å²	39.9	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-16	176.3	0	0	0	0	0	114.1	E37 L77 R86	E37-G79 WeakPolarHBondContact OE1-CA 3.38Å; E37-G79 PolarHBondContact OE1-N 3.13Å; E37-G79 VanDerWaalsContact OE2-CA 3.32Å; E37-G79 WeakPolarHBondContact OE2-CA 3.46Å; E37-G79 PolarHBondContact OE2-N 3.09Å; L77-G79 VanDerWaalsContact C-N 3.32Å; L77-G79 PolarHBondContact O-N 2.79Å; G79-R86 PolarHBondContact O-NH1 3.18Å
80	K	84.7	Confident	84.8	Confident	17 Å²	17	41.8 Å²	41.8	7%	0.074	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-14.8	-172.9	-64.1	-168.2	171.7	-155.2	0	115.7	E32 L77 R275 A279	E32-K80 PolarHBondContact O-NZ 3.28Å; E32-K80 IonicContact OE2-NZ 2.67Å; E32-K80 PolarHBondContact OE2-NZ 3.04Å; L77-K80 HydrophobicContact CB-CB 4.35Å; L77-K80 HydrophobicContact CD2-CB 4.15Å; L77-K80 HydrophobicContact CD2-CD 4.11Å; L77-K80 PolarHBondContact O-N 2.66Å; K80-R275 WeakPolarHBondContact CE-O 3.2Å; K80-R275 PolarHBondContact NZ-O 3.28Å; K80-A279 WeakPolarHBondContact O-CB 3.48Å; K80-A279 PolarHBondContact O-N 3.21Å
81	V	81.2	Confident	83.6	Confident	21 Å²	21	51.3 Å²	51.3	13%	0.127	27%	0.268	C	S	.	.	S	Bend	trans	-93.9	156	176.8	-56.5	0	0	0	0	112.6	L77 V85 R86 L94	L77-V81 HydrophobicContact CB-CG1 3.89Å; L77-V81 HydrophobicContact CD1-CG1 4.48Å; L77-V81 PolarHBondContact O-N 3.29Å; V81-V85 HydrophobicContact CB-CB 4.2Å; V81-V85 HydrophobicContact CB-CG1 4.11Å; V81-V85 HydrophobicContact CG2-CB 4.09Å; V81-V85 HydrophobicContact CG2-CG1 3.98Å; V81-R86 HydrophobicContact CG2-CG 3.56Å; V81-R86 PolarHBondContact O-NH1 3.5Å; V81-L94 HydrophobicContact CG2-CD1 3.52Å; V81-L94 HydrophobicContact CG2-CD2 4.04Å; V81-L94 HydrophobicContact CG2-CG 4.38Å
82	P	79.5	Confident	82.3	Confident	5 Å²	5	53 Å²	53	3%	0.032	29%	0.289	C	S	.	.			trans	-66.6	160.1	-179.3	-14.3	27.7	0	0	0	113.2	Y84 V85 R86 M223 A279 D281	P82-Y84 VanDerWaalsContact C-N 3.32Å; P82-Y84 HydrophobicContact CB-CD1 3.98Å; P82-Y84 HydrophobicContact CB-CE1 3.69Å; P82-Y84 HydrophobicContact CG-CE1 4.14Å; P82-Y84 PolarHBondContact O-N 3.28Å; P82-V85 HydrophobicContact CG-CG2 4.49Å; P82-V85 WeakPolarHBondContact O-CB 3.28Å; P82-V85 PolarHBondContact O-N 2.88Å; P82-R86 PolarHBondContact O-N 2.91Å; P82-R86 VanDerWaalsContact O-N 3.12Å; P82-M223 HydrophobicContact CG-SD 3.6Å; P82-A279 HydrophobicContact CG-CB 4.01Å; P82-D281 WeakPolarHBondContact CB-OD1 3.37Å
83	G	77.9	Confident	81.5	Confident	34 Å²	34	52 Å²	52	35%	0.351	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-37.4	-170.6	0	0	0	0	0	114.2	V85 R86 L87	G83-V85 VanDerWaalsContact C-N 3.34Å; G83-R86 WeakPolarHBondContact O-CB 3.46Å; G83-R86 PolarHBondContact O-N 3.15Å; G83-L87 PolarHBondContact O-N 3.47Å
84	Y	75.6	Confident	80.9	Confident	38 Å²	38	51.7 Å²	51.7	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-70.4	-30.8	178.3	71.6	-90.4	0	0	0	112.5	P82 L87 L88 V220 M223 D281	P82-Y84 VanDerWaalsContact C-N 3.32Å; P82-Y84 HydrophobicContact CB-CD1 3.98Å; P82-Y84 HydrophobicContact CB-CE1 3.69Å; P82-Y84 HydrophobicContact CG-CE1 4.14Å; P82-Y84 PolarHBondContact O-N 3.28Å; Y84-L87 PolarHBondContact O-N 2.72Å; Y84-L88 WeakPolarHBondContact O-CD1 3.39Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.38Å; Y84-L88 PolarHBondContact O-N 2.96Å; Y84-V220 HydrophobicContact CE2-CG2 4.37Å; Y84-M223 PolarHBondContact OH-SD 3.33Å; Y84-D281 WeakPolarHBondContact CD1-OD1 3.44Å; Y84-D281 WeakPolarHBondContact CE1-OD1 3.48Å
85	V	78.2	Confident	80.7	Confident	24 Å²	24	51.2 Å²	51.2	15%	0.145	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-42.8	173.8	179.7	0	0	0	0	109.6	V81 P82 G83 L87 L88 A89 L94 M223	V81-V85 HydrophobicContact CB-CB 4.2Å; V81-V85 HydrophobicContact CB-CG1 4.11Å; V81-V85 HydrophobicContact CG2-CB 4.09Å; V81-V85 HydrophobicContact CG2-CG1 3.98Å; P82-V85 HydrophobicContact CG-CG2 4.49Å; P82-V85 WeakPolarHBondContact O-CB 3.28Å; P82-V85 PolarHBondContact O-N 2.88Å; G83-V85 VanDerWaalsContact C-N 3.34Å; V85-L87 VanDerWaalsContact C-N 3.29Å; V85-L87 PolarHBondContact O-N 3.03Å; V85-L88 PolarHBondContact O-N 3.25Å; V85-A89 WeakPolarHBondContact O-CB 3.45Å; V85-A89 PolarHBondContact O-N 3.06Å; V85-L94 HydrophobicContact CG1-CD2 4.17Å; V85-M223 HydrophobicContact CG2-SD 4.46Å
86	R	77.2	Confident	80.7	Confident	112 Å²	112	50.2 Å²	50.2	42%	0.423	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-37.9	174.1	-65.7	-166.3	-77.7	-116.5	0.2	113.1	A78 G79 V81 P82 G83 L88 A89 L94	A78-R86 WeakPolarHBondContact O-CD 3.5Å; G79-R86 PolarHBondContact O-NH1 3.18Å; V81-R86 HydrophobicContact CG2-CG 3.56Å; V81-R86 PolarHBondContact O-NH1 3.5Å; P82-R86 PolarHBondContact O-N 2.91Å; P82-R86 VanDerWaalsContact O-N 3.12Å; G83-R86 WeakPolarHBondContact O-CB 3.46Å; G83-R86 PolarHBondContact O-N 3.15Å; R86-L88 PolarHBondContact O-N 3.38Å; R86-A89 PolarHBondContact O-N 2.83Å; R86-L94 HydrophobicContact CG-CD1 4Å
87	L	75.2	Confident	80.9	Confident	153 Å²	153	49.1 Å²	49.1	80%	0.801	28%	0.278	S	S	*	.	H	α-helix	trans	-65.8	-29.7	-179.8	-169.9	68.6	0	0	0	112.3	G83 Y84 V85	G83-L87 PolarHBondContact O-N 3.47Å; Y84-L87 PolarHBondContact O-N 2.72Å; V85-L87 VanDerWaalsContact C-N 3.29Å; V85-L87 PolarHBondContact O-N 3.03Å
88	L	73.5	Confident	81.3	Confident	70 Å²	70	48.5 Å²	48.5	37%	0.366	27%	0.274	S	S	.	.	H	α-helix	trans	-86	-18	179.3	-61.4	163.7	0	0	0	113.1	Y84 V85 R86 Y116 W213 I216	Y84-L88 WeakPolarHBondContact O-CD1 3.39Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.38Å; Y84-L88 PolarHBondContact O-N 2.96Å; V85-L88 PolarHBondContact O-N 3.25Å; R86-L88 PolarHBondContact O-N 3.38Å; L88-Y116 PolarHBondContact O-OH 3.02Å; L88-W213 HydrophobicContact CB-CZ3 3.85Å; L88-W213 HydrophobicContact CD1-CZ3 4.43Å; L88-I216 HydrophobicContact CD1-CD1 3.26Å
89	A	73.8	Confident	81.9	Confident	12 Å²	12	48.9 Å²	48.9	10%	0.099	27%	0.267	C	S	.	.	S	Bend	trans	-104.3	121.6	-174.6	0	0	0	0	0	111	V85 R86 S93 L94	V85-A89 WeakPolarHBondContact O-CB 3.45Å; V85-A89 PolarHBondContact O-N 3.06Å; R86-A89 PolarHBondContact O-N 2.83Å; A89-S93 WeakPolarHBondContact CB-OG 3.36Å; A89-L94 HydrophobicContact CB-CD1 4.26Å; A89-L94 HydrophobicContact CB-CD2 3.5Å; A89-L94 HydrophobicContact CB-CG 3.74Å
90	P	75	Confident	82.6	Confident	65 Å²	65	48.3 Å²	48.3	42%	0.422	26%	0.26	S	S	.	.			trans	-51.7	151.4	170.5	-26.4	33.5	0	0	0	112.2	G92 S93 Y116	P90-G92 PolarHBondContact O-N 2.86Å; P90-S93 WeakPolarHBondContact CD-OG 3.35Å; P90-S93 VanDerWaalsContact O-CB 3.29Å; P90-S93 WeakPolarHBondContact O-CB 3.39Å; P90-S93 PolarHBondContact O-N 3.48Å; P90-S93 PolarHBondContact O-OG 2.86Å; P90-Y116 WeakPolarHBondContact CD-OH 3.31Å; P90-Y116 HydrophobicContact CG-CD2 4.12Å; P90-Y116 HydrophobicContact CG-CE1 4.35Å; P90-Y116 HydrophobicContact CG-CE2 3.65Å
91	K	72.8	Confident	83.3	Confident	217 Å²	217	48 Å²	48	94%	0.943	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	131.1	174.4	-72.7	-173.9	178.1	-178.3	0	110.1	S93	K91-S93 VanDerWaalsContact C-N 3.3Å
92	G	71.2	Confident	84.1	Confident	55 Å²	55	48 Å²	48	57%	0.567	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	1.3	-177.8	0	0	0	0	0	115	P90	P90-G92 PolarHBondContact O-N 2.86Å
93	S	80.8	Confident	85	Confident	11 Å²	11	48 Å²	48	8%	0.077	26%	0.258	C	S	.	.			trans	-91.6	-0.9	179	83.2	0	0	0	0	114	A89 P90 K91 E95 N113 Y116	A89-S93 WeakPolarHBondContact CB-OG 3.36Å; P90-S93 WeakPolarHBondContact CD-OG 3.35Å; P90-S93 VanDerWaalsContact O-CB 3.29Å; P90-S93 WeakPolarHBondContact O-CB 3.39Å; P90-S93 PolarHBondContact O-N 3.48Å; P90-S93 PolarHBondContact O-OG 2.86Å; K91-S93 VanDerWaalsContact C-N 3.3Å; S93-E95 PolarHBondContact O-N 2.82Å; S93-N113 PolarHBondContact O-ND2 2.98Å; S93-Y116 WeakPolarHBondContact OG-CD1 3.45Å
94	L	85.5	Confident	86	Confident	19 Å²	19	48.3 Å²	48.3	10%	0.099	25%	0.249	C	C	.	.			trans	-90.6	44.7	-179	-67.9	170.9	0	0	0	112	L77 V81 V85 R86 A89	L77-L94 PolarHBondContact N-O 2.77Å; V81-L94 HydrophobicContact CG2-CD1 3.52Å; V81-L94 HydrophobicContact CG2-CD2 4.04Å; V81-L94 HydrophobicContact CG2-CG 4.38Å; V85-L94 HydrophobicContact CG1-CD2 4.17Å; R86-L94 HydrophobicContact CG-CD1 4Å; A89-L94 HydrophobicContact CB-CD1 4.26Å; A89-L94 HydrophobicContact CB-CD2 3.5Å; A89-L94 HydrophobicContact CB-CG 3.74Å
95	E	90.7	Very high	87.1	Confident	34 Å²	34	48.3 Å²	48.3	16%	0.159	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.1	171.8	-64.6	175.5	-164.6	0	0	109.1	R74 F75 Y76 S93 N113 K115	R74-E95 HydrophobicContact CG-CB 4.38Å; R74-E95 IonicContact NE-OE2 3.75Å; F75-E95 CarbonylContact O-C 3.59Å; F75-E95 VanDerWaalsContact O-CA 3.26Å; F75-E95 WeakPolarHBondContact O-CA 3.46Å; Y76-E95 HydrophobicContact CD1-CG 3.84Å; Y76-E95 HydrophobicContact CE1-CG 3.95Å; S93-E95 PolarHBondContact O-N 2.82Å; E95-N113 PolarHBondContact O-ND2 2.73Å; E95-K115 IonicContact OE1-NZ 2.85Å; E95-K115 WeakPolarHBondContact OE2-CE 3.17Å; E95-K115 IonicContact OE2-NZ 2.84Å; E95-K115 PolarHBondContact OE2-NZ 2.94Å
96	I	93.2	Very high	88.1	Confident	18 Å²	18	47.2 Å²	47.2	9%	0.092	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125	177.9	-56.6	-60.4	0	0	0	108.7	R74 F75 L77 L111 Q112 N113 F121	R74-I96 CarbonylContact C-O 3.53Å; R74-I96 WeakPolarHBondContact CA-O 3.29Å; F75-I96 HydrophobicContact CB-CB 4.28Å; F75-I96 PolarHBondContact N-O 2.96Å; F75-I96 PolarHBondContact O-N 2.78Å; L77-I96 HydrophobicContact CD1-CB 4.47Å; L77-I96 HydrophobicContact CD1-CG1 3.77Å; I96-L111 HydrophobicContact CG2-CB 3.8Å; I96-L111 HydrophobicContact CG2-CD2 3.91Å; I96-L111 HydrophobicContact CG2-CG 4.34Å; I96-Q112 CarbonylContact C-O 3.29Å; I96-Q112 WeakPolarHBondContact CA-O 3.21Å; I96-N113 HydrophobicContact CD1-CB 3.74Å; I96-F121 HydrophobicContact CD1-CD1 4.37Å; I96-F121 HydrophobicContact CD1-CE1 3.97Å
97	D	95.7	Very high	89.1	Confident	17 Å²	17	42.4 Å²	42.4	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.7	170.8	-81.3	26	0	0	0	108.4	H72 K73 R74 L111 Q112 P114	H72-D97 IonicContact CE1-OD2 3.57Å; H72-D97 IonicContact NE2-OD2 3.19Å; H72-D97 PolarHBondContact NE2-OD2 3.48Å; K73-D97 WeakPolarHBondContact O-CA 3.3Å; R74-D97 IonicContact CZ-OD1 3.73Å; R74-D97 VanDerWaalsContact CZ-OD1 3.25Å; R74-D97 IonicContact NE-OD1 2.98Å; R74-D97 PolarHBondContact NE-OD1 2.84Å; R74-D97 IonicContact NH2-OD1 2.88Å; R74-D97 PolarHBondContact NH2-OD1 2.93Å; R74-D97 IonicContact NH2-OD2 3.78Å; R74-D97 PolarHBondContact NH2-OD2 3.48Å; D97-L111 WeakPolarHBondContact O-CA 3.23Å; D97-Q112 PolarHBondContact N-O 2.92Å; D97-Q112 PolarHBondContact O-N 3.04Å; D97-P114 HydrophobicContact CB-CG 4.24Å
98	E	97.3	Very high	90.2	Very high	26 Å²	26	35.9 Å²	35.9	12%	0.121	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.9	170.7	174.4	-172.8	98.1	0	0	108.9	H72 K73 F75 T109 V110 L111	H72-E98 CarbonylContact C-O 3.57Å; H72-E98 VanDerWaalsContact CA-O 3.31Å; H72-E98 WeakPolarHBondContact CA-O 3.36Å; K73-E98 HydrophobicContact CB-CB 4.4Å; K73-E98 WeakPolarHBondContact CD-OE1 3.3Å; K73-E98 PolarHBondContact N-O 2.92Å; K73-E98 IonicContact NZ-OE1 3.26Å; K73-E98 PolarHBondContact NZ-OE1 2.99Å; K73-E98 PolarHBondContact O-N 2.81Å; F75-E98 HydrophobicContact CD2-CB 4.06Å; F75-E98 HydrophobicContact CE2-CB 3.51Å; F75-E98 HydrophobicContact CE2-CG 4.14Å; F75-E98 WeakPolarHBondContact CE2-OE2 3.17Å; F75-E98 WeakPolarHBondContact CZ-OE2 3.5Å; E98-T109 HydrophobicContact CG-CG2 3.4Å; E98-T109 VanDerWaalsContact CG-CG2 3.4Å; E98-V110 WeakPolarHBondContact CA-O 3.36Å; E98-L111 HydrophobicContact CB-CD2 4.38Å; E98-L111 HydrophobicContact CB-CG 4.18Å; E98-L111 HydrophobicContact CG-CG 4.29Å
99	K	98.2	Very high	91.4	Very high	59 Å²	59	33.5 Å²	33.5	26%	0.257	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.5	168	-65.4	-179.8	-174.7	172.2	0	108.7	Y70 T71 W101 T109 V110	Y70-K99 HydrophobicContact CE2-CB 4.05Å; Y70-K99 HydrophobicContact CE2-CG 4.35Å; T71-K99 CarbonylContact O-C 3.58Å; T71-K99 WeakPolarHBondContact O-CA 3.38Å; K99-W101 HydrophobicContact CB-CH2 3.75Å; K99-W101 HydrophobicContact CB-CZ2 4.46Å; K99-W101 HydrophobicContact CB-CZ3 3.84Å; K99-W101 HydrophobicContact CD-CH2 4.16Å; K99-T109 CarbonylContact O-C 3.54Å; K99-T109 WeakPolarHBondContact O-CA 3.42Å; K99-V110 PolarHBondContact N-O 2.94Å; K99-V110 PolarHBondContact O-N 2.87Å
100	A	98.5	Very high	92.5	Very high	7 Å²	7	33.9 Å²	33.9	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132	179.3	0	0	0	0	0	111.3	Y70 T71 R108 T109	Y70-A100 CarbonylContact C-O 3.59Å; Y70-A100 VanDerWaalsContact CA-O 3.29Å; Y70-A100 WeakPolarHBondContact CA-O 3.37Å; Y70-A100 WeakPolarHBondContact CD2-O 3.49Å; T71-A100 PolarHBondContact N-O 2.91Å; T71-A100 PolarHBondContact O-N 2.74Å; A100-R108 CarbonylContact C-O 3.49Å; A100-R108 VanDerWaalsContact CA-O 3.3Å; A100-R108 WeakPolarHBondContact CA-O 3.38Å; A100-T109 HydrophobicContact CB-CG2 4.17Å
101	W	98.7	Very high	93.5	Very high	11 Å²	11	31.8 Å²	31.8	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	95.7	172.1	-64.8	-93.6	0	0	0	108.4	F47 N52 P54 L58 Y70 K99 A103 C107 R108 V110	F47-W101 HydrophobicContact CD1-CB 4.46Å; F47-W101 AromaticContact CD2-CD1 3.86Å; F47-W101 HydrophobicContact CE1-CB 3.9Å; F47-W101 AromaticContact CG-CD1 3.88Å; F47-W101 HydrophobicContact CZ-CB 3.95Å; N52-W101 PolarHBondContact O-NE1 2.8Å; P54-W101 HydrophobicContact CB-CD2 4.08Å; P54-W101 HydrophobicContact CB-CG 4.07Å; L58-W101 HydrophobicContact CD1-CB 3.89Å; L58-W101 HydrophobicContact CD2-CB 4.13Å; Y70-W101 AromaticContact CD2-CD1 3.85Å; Y70-W101 HydrophobicContact CD2-CD2 4.18Å; Y70-W101 AromaticContact CD2-CE2 3.75Å; Y70-W101 HydrophobicContact CD2-CG 4.25Å; Y70-W101 HydrophobicContact CD2-CZ2 4.28Å; Y70-W101 AromaticContact CD2-NE1 3.51Å; Y70-W101 HydrophobicContact CE2-CD2 4.44Å; Y70-W101 AromaticContact CE2-CE2 3.78Å; Y70-W101 HydrophobicContact CE2-CH2 4.48Å; Y70-W101 AromaticContact CE2-CZ2 3.83Å; Y70-W101 HydrophobicContact CE2-CZ2 3.83Å; Y70-W101 AromaticContact CE2-NE1 3.92Å; K99-W101 HydrophobicContact CB-CH2 3.75Å; K99-W101 HydrophobicContact CB-CZ2 4.46Å; K99-W101 HydrophobicContact CB-CZ3 3.84Å; K99-W101 HydrophobicContact CD-CH2 4.16Å; W101-A103 PolarHBondContact O-N 2.83Å; W101-C107 WeakPolarHBondContact O-CA 3.37Å; W101-R108 PolarHBondContact N-O 3.05Å; W101-R108 PolarHBondContact O-N 3.49Å; W101-R108 VanDerWaalsContact O-N 3.1Å; W101-V110 HydrophobicContact CZ3-CB 4.41Å; W101-V110 HydrophobicContact CZ3-CG2 4.07Å
102	N	98.3	Very high	94.6	Very high	20 Å²	20	23.6 Å²	23.6	11%	0.107	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	97.9	179.1	-173.5	-7.6	0	0	0	109.9	G68 Q69 Y104 C107	G68-N102 CarbonylContact C-O 3.52Å; G68-N102 VanDerWaalsContact CA-O 3.29Å; G68-N102 WeakPolarHBondContact CA-O 3.36Å; Q69-N102 PolarHBondContact N-O 2.85Å; Q69-N102 PolarHBondContact O-N 3.42Å; N102-Y104 PolarHBondContact OD1-N 3.28Å; N102-C107 HydrophobicContact CB-CB 4.33Å
103	A	98.1	Very high	95.6	Very high	5 Å²	5	21 Å²	21	4%	0.041	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	58.8	172.3	0	0	0	0	0	109.6	F47 F65 S67 W101 Y106	F47-A103 HydrophobicContact CE1-CB 4.36Å; F47-A103 HydrophobicContact CZ-CB 3.98Å; F65-A103 HydrophobicContact CB-CB 3.64Å; F65-A103 HydrophobicContact CD1-CB 4.23Å; F65-A103 WeakPolarHBondContact CD1-O 3.24Å; F65-A103 HydrophobicContact CG-CB 4.19Å; S67-A103 WeakPolarHBondContact O-CB 3.25Å; W101-A103 PolarHBondContact O-N 2.83Å; A103-Y106 CarbonylContact C-O 3.51Å; A103-Y106 WeakPolarHBondContact CA-O 3.33Å; A103-Y106 PolarHBondContact N-O 3.16Å; A103-Y106 PolarHBondContact O-N 3.37Å; A103-Y106 VanDerWaalsContact O-N 3.09Å; A103-Y106 VanDerWaalsContact O-O 3.11Å
104	Y	98.5	Very high	95.9	Very high	41 Å²	41	23.3 Å²	23.3	16%	0.161	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	131.2	-171.3	-162.6	-98.2	0	0	0	112.7	V14 Y17 H18 N102 Y106 H129	V14-Y104 HydrophobicContact CG1-CE1 3.6Å; V14-Y104 WeakPolarHBondContact CG1-OH 3.45Å; V14-Y104 WeakPolarHBondContact O-CE1 3.46Å; V14-Y104 VanDerWaalsContact O-CZ 3.31Å; V14-Y104 PolarHBondContact O-OH 3.44Å; Y17-Y104 HydrophobicContact CD1-CE2 4.42Å; H18-Y104 HydrophobicContact CB-CD1 3.72Å; H18-Y104 HydrophobicContact CB-CE1 3.44Å; H18-Y104 VanDerWaalsContact CB-CE1 3.44Å; H18-Y104 HydrophobicContact CB-CE2 4.33Å; H18-Y104 HydrophobicContact CB-CG 4.23Å; H18-Y104 AromaticContact CD2-CD1 3.85Å; H18-Y104 AromaticContact CD2-CD2 3.98Å; H18-Y104 AromaticContact CD2-CG 3.59Å; H18-Y104 AromaticContact CG-CD1 3.44Å; H18-Y104 VanDerWaalsContact CG-CD1 3.44Å; H18-Y104 AromaticContact CG-CE1 3.76Å; H18-Y104 AromaticContact CG-CG 3.71Å; H18-Y104 PolarHBondContact N-OH 3.47Å; H18-Y104 AromaticContact ND1-CD1 3.63Å; H18-Y104 AromaticContact NE2-CG 3.93Å; N102-Y104 PolarHBondContact OD1-N 3.28Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 VanDerWaalsContact CA-N 3.35Å; Y104-Y106 PolarHBondContact N-O 2.96Å; Y104-H129 HydrophobicContact CE2-CB 4.1Å; Y104-H129 AromaticContact CE2-CG 3.76Å; Y104-H129 AromaticContact CE2-ND1 3.55Å
105	P	98.2	Very high	95.9	Very high	39 Å²	39	28.6 Å²	28.6	25%	0.253	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.3	3.2	17.7	7.6	8	0	0	0	115.3	V14 M128 H129	V14-P105 HydrophobicContact CG1-CB 4.3Å; P105-M128 HydrophobicContact CB-CE 3.89Å; P105-M128 HydrophobicContact CB-SD 4.38Å; P105-M128 HydrophobicContact CG-CE 3.83Å; P105-H129 HydrophobicContact CB-CB 4.14Å; P105-H129 WeakPolarHBondContact CB-O 3.39Å; P105-H129 PolarHBondContact O-N 2.81Å; P105-H129 VanDerWaalsContact O-N 3.12Å; P105-H129 PolarHBondContact O-ND1 3.01Å
106	Y	98.6	Very high	95.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.8	177.1	178.4	-95.5	0	0	0	112.2	L58 A60 F65 A103 Y104 R108 E126 S127 M128	L58-Y106 HydrophobicContact CB-CD1 3.95Å; L58-Y106 HydrophobicContact CB-CE1 3.54Å; L58-Y106 HydrophobicContact CD2-CE1 3.73Å; L58-Y106 HydrophobicContact CG-CE1 4.11Å; A60-Y106 HydrophobicContact CB-CD2 3.42Å; A60-Y106 VanDerWaalsContact CB-CD2 3.42Å; A60-Y106 HydrophobicContact CB-CE2 3.65Å; A60-Y106 HydrophobicContact CB-CG 4.43Å; F65-Y106 AromaticContact CD2-CD1 3.93Å; F65-Y106 HydrophobicContact CD2-CD1 3.93Å; F65-Y106 AromaticContact CD2-CG 3.77Å; F65-Y106 HydrophobicContact CD2-CG 3.77Å; F65-Y106 VanDerWaalsContact CE2-CB 3.47Å; F65-Y106 HydrophobicContact CE2-CD1 4.46Å; F65-Y106 HydrophobicContact CE2-CD2 4.34Å; F65-Y106 AromaticContact CE2-CG 3.85Å; F65-Y106 HydrophobicContact CE2-CG 3.85Å; F65-Y106 HydrophobicContact CG-CD1 4.34Å; F65-Y106 HydrophobicContact CG-CG 4.4Å; A103-Y106 CarbonylContact C-O 3.51Å; A103-Y106 WeakPolarHBondContact CA-O 3.33Å; A103-Y106 PolarHBondContact N-O 3.16Å; A103-Y106 PolarHBondContact O-N 3.37Å; A103-Y106 VanDerWaalsContact O-N 3.09Å; A103-Y106 VanDerWaalsContact O-O 3.11Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 VanDerWaalsContact CA-N 3.35Å; Y104-Y106 PolarHBondContact N-O 2.96Å; Y106-R108 HydrophobicContact CE1-CB 3.92Å; Y106-R108 PolarHBondContact OH-NE 2.85Å; Y106-R108 PolarHBondContact OH-NH2 2.9Å; Y106-E126 HydrophobicContact CE2-CB 4.32Å; Y106-E126 WeakPolarHBondContact OH-CG 3.2Å; Y106-E126 PolarHBondContact OH-OE1 2.98Å; Y106-S127 CarbonylContact C-O 3.53Å; Y106-S127 VanDerWaalsContact CA-O 3.27Å; Y106-S127 WeakPolarHBondContact CA-O 3.31Å; Y106-S127 WeakPolarHBondContact CD2-O 3.33Å; Y106-M128 HydrophobicContact CD2-SD 4.39Å
107	C	98.6	Very high	95.5	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	133.9	168.3	179.3	0	0	0	0	110.6	W101 N102 E126 S127	W101-C107 WeakPolarHBondContact O-CA 3.37Å; N102-C107 HydrophobicContact CB-CB 4.33Å; C107-E126 CarbonylContact O-C 3.52Å; C107-E126 WeakPolarHBondContact O-CA 3.06Å; C107-S127 WeakPolarHBondContact CB-OG 3.49Å; C107-S127 PolarHBondContact N-O 2.94Å; C107-S127 PolarHBondContact O-N 3.01Å; C107-S127 PolarHBondContact O-OG 2.54Å
108	R	98.7	Very high	95.2	Very high	17 Å²	17	35.7 Å²	35.7	6%	0.064	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.9	168.1	-179.4	-178.7	-67.7	150.1	-1.6	109.4	S56 P57 L58 A100 W101 Y106 V110 M124 E126	S56-R108 PolarHBondContact O-NH1 3.47Å; S56-R108 PolarHBondContact OG-NH1 3.3Å; P57-R108 PolarHBondContact O-NH1 2.94Å; P57-R108 PolarHBondContact O-NH2 3.25Å; L58-R108 HydrophobicContact CD2-CB 3.72Å; A100-R108 CarbonylContact C-O 3.49Å; A100-R108 VanDerWaalsContact CA-O 3.3Å; A100-R108 WeakPolarHBondContact CA-O 3.38Å; W101-R108 PolarHBondContact N-O 3.05Å; W101-R108 PolarHBondContact O-N 3.49Å; W101-R108 VanDerWaalsContact O-N 3.1Å; Y106-R108 HydrophobicContact CE1-CB 3.92Å; Y106-R108 PolarHBondContact OH-NE 2.85Å; Y106-R108 PolarHBondContact OH-NH2 2.9Å; R108-V110 HydrophobicContact CG-CG2 4.21Å; R108-M124 HydrophobicContact CG-CG 4.29Å; R108-M124 HydrophobicContact CG-SD 4.38Å; R108-E126 HydrophobicContact CB-CG 4.26Å; R108-E126 HydrophobicContact CG-CG 3.91Å; R108-E126 IonicContact CZ-OE1 2.92Å; R108-E126 IonicContact NE-OE1 2.67Å; R108-E126 PolarHBondContact NE-OE1 3.27Å; R108-E126 IonicContact NH2-OE1 2.6Å; R108-E126 PolarHBondContact NH2-OE1 2.99Å
109	T	98.4	Very high	94.8	Very high	20 Å²	20	40.4 Å²	40.4	12%	0.123	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.9	171.6	-56.8	0	0	0	0	109.7	E98 K99 A100 L111 M124 I125	E98-T109 HydrophobicContact CG-CG2 3.4Å; E98-T109 VanDerWaalsContact CG-CG2 3.4Å; K99-T109 CarbonylContact O-C 3.54Å; K99-T109 WeakPolarHBondContact O-CA 3.42Å; A100-T109 HydrophobicContact CB-CG2 4.17Å; T109-L111 HydrophobicContact CG2-CD1 3.77Å; T109-L111 HydrophobicContact CG2-CG 4.49Å; T109-M124 CarbonylContact O-C 3.57Å; T109-M124 WeakPolarHBondContact O-CA 3.28Å; T109-I125 PolarHBondContact N-O 3.37Å; T109-I125 PolarHBondContact O-N 3.44Å
110	V	97.9	Very high	94.4	Very high	20 Å²	20	40.6 Å²	40.6	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.7	177.2	179.6	0	0	0	0	108.4	E98 K99 W101 R108 Q112 T122 M124	E98-V110 WeakPolarHBondContact CA-O 3.36Å; K99-V110 PolarHBondContact N-O 2.94Å; K99-V110 PolarHBondContact O-N 2.87Å; W101-V110 HydrophobicContact CZ3-CB 4.41Å; W101-V110 HydrophobicContact CZ3-CG2 4.07Å; R108-V110 HydrophobicContact CG-CG2 4.21Å; V110-Q112 HydrophobicContact CG1-CG 4Å; V110-T122 HydrophobicContact CG1-CG2 4.14Å; V110-M124 HydrophobicContact CG2-CG 4.25Å
111	L	96.2	Very high	94.2	Very high	21 Å²	21	41 Å²	41	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.5	176.1	-64.5	96.6	0	0	0	110	F75 I96 D97 E98 T109 L123 I125	F75-L111 HydrophobicContact CE2-CD2 4.48Å; I96-L111 HydrophobicContact CG2-CB 3.8Å; I96-L111 HydrophobicContact CG2-CD2 3.91Å; I96-L111 HydrophobicContact CG2-CG 4.34Å; D97-L111 WeakPolarHBondContact O-CA 3.23Å; E98-L111 HydrophobicContact CB-CD2 4.38Å; E98-L111 HydrophobicContact CB-CG 4.18Å; E98-L111 HydrophobicContact CG-CG 4.29Å; T109-L111 HydrophobicContact CG2-CD1 3.77Å; T109-L111 HydrophobicContact CG2-CG 4.49Å; L111-L123 HydrophobicContact CB-CB 4.14Å; L111-L123 HydrophobicContact CB-CD2 4.43Å; L111-L123 HydrophobicContact CB-CG 4.48Å; L111-L123 HydrophobicContact CD1-CD2 4.02Å; L111-L123 HydrophobicContact CD1-CG 4.08Å; L111-L123 PolarHBondContact N-O 3.22Å; L111-L123 PolarHBondContact O-N 3.31Å; L111-I125 HydrophobicContact CD1-CD1 4.11Å
112	Q	95	Very high	94	Very high	44 Å²	44	42.2 Å²	42.2	21%	0.206	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158.4	-177.7	-71.2	176.4	-39.5	0	0	111.1	I96 D97 V110 P114 T122	I96-Q112 CarbonylContact C-O 3.29Å; I96-Q112 WeakPolarHBondContact CA-O 3.21Å; D97-Q112 PolarHBondContact N-O 2.92Å; D97-Q112 PolarHBondContact O-N 3.04Å; V110-Q112 HydrophobicContact CG1-CG 4Å; Q112-P114 VanDerWaalsContact C-CD 3.46Å; Q112-P114 VanDerWaalsContact O-CD 3.25Å; Q112-P114 WeakPolarHBondContact O-CD 3.29Å; Q112-T122 HydrophobicContact CG-CG2 4.37Å; Q112-T122 PolarHBondContact NE2-OG1 2.88Å
113	N	92.2	Very high	93.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.21	C	C	.	.			trans	-114.6	77.2	172.2	-176.7	-80.9	0	0	0	108.8	S93 E95 I96 K115 Y116 M117 Q118 F121	S93-N113 PolarHBondContact O-ND2 2.98Å; E95-N113 PolarHBondContact O-ND2 2.73Å; I96-N113 HydrophobicContact CD1-CB 3.74Å; N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 2.7Å; N113-Y116 PolarHBondContact O-N 3.07Å; N113-Y116 WeakPolarHBondContact OD1-CA 3.46Å; N113-Y116 VanDerWaalsContact OD1-CB 3.26Å; N113-Y116 WeakPolarHBondContact OD1-CB 3.34Å; N113-Y116 PolarHBondContact OD1-N 3.28Å; N113-Y116 VanDerWaalsContact OD1-N 3.14Å; N113-M117 HydrophobicContact CB-CB 3.98Å; N113-M117 HydrophobicContact CB-CE 4.16Å; N113-M117 HydrophobicContact CB-CG 3.93Å; N113-M117 HydrophobicContact CB-SD 4.15Å; N113-M117 PolarHBondContact O-N 3.03Å; N113-M117 VanDerWaalsContact O-N 3.13Å; N113-M117 PolarHBondContact OD1-N 3.38Å; N113-Q118 PolarHBondContact O-N 3.24Å; N113-F121 HydrophobicContact CB-CD1 4.09Å
114	P	86.4	Confident	93.8	Very high	59 Å²	59	43.7 Å²	43.7	38%	0.383	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-30.8	-168.1	24.9	-34.2	0	0	0	112.9	D97 Q112 Q118	D97-P114 HydrophobicContact CB-CG 4.24Å; Q112-P114 VanDerWaalsContact C-CD 3.46Å; Q112-P114 VanDerWaalsContact O-CD 3.25Å; Q112-P114 WeakPolarHBondContact O-CD 3.29Å; P114-Q118 WeakPolarHBondContact O-CG 3.45Å
115	K	86.8	Confident	93.9	Very high	131 Å²	131	42.6 Å²	42.6	57%	0.57	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-34.6	-176.7	-72.1	-177.5	176.8	173.7	0	113.6	E95 N113	E95-K115 IonicContact OE1-NZ 2.85Å; E95-K115 WeakPolarHBondContact OE2-CE 3.17Å; E95-K115 IonicContact OE2-NZ 2.84Å; E95-K115 PolarHBondContact OE2-NZ 2.94Å; N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 2.7Å
116	Y	87.5	Confident	93.9	Very high	82 Å²	82	41.7 Å²	41.7	32%	0.322	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-55.3	-170.9	174.6	-119.8	0	0	0	113.5	L88 P90 S93 N113 W213	L88-Y116 PolarHBondContact O-OH 3.02Å; P90-Y116 WeakPolarHBondContact CD-OH 3.31Å; P90-Y116 HydrophobicContact CG-CD2 4.12Å; P90-Y116 HydrophobicContact CG-CE1 4.35Å; P90-Y116 HydrophobicContact CG-CE2 3.65Å; S93-Y116 WeakPolarHBondContact OG-CD1 3.45Å; N113-Y116 PolarHBondContact O-N 3.07Å; N113-Y116 WeakPolarHBondContact OD1-CA 3.46Å; N113-Y116 VanDerWaalsContact OD1-CB 3.26Å; N113-Y116 WeakPolarHBondContact OD1-CB 3.34Å; N113-Y116 PolarHBondContact OD1-N 3.28Å; N113-Y116 VanDerWaalsContact OD1-N 3.14Å; Y116-W213 HydrophobicContact CD1-CH2 4.44Å; Y116-W213 AromaticContact CE1-CH2 3.56Å; Y116-W213 HydrophobicContact CE1-CH2 3.56Å; Y116-W213 AromaticContact CE1-CZ2 3.94Å; Y116-W213 HydrophobicContact CE1-CZ2 3.94Å
117	M	88.4	Confident	93.9	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.069	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-24.6	-178.7	-51.4	-176.9	-150.4	0	0	112.5	N113 N119 N120 F121 F211 W213	N113-M117 HydrophobicContact CB-CB 3.98Å; N113-M117 HydrophobicContact CB-CE 4.16Å; N113-M117 HydrophobicContact CB-CG 3.93Å; N113-M117 HydrophobicContact CB-SD 4.15Å; N113-M117 PolarHBondContact O-N 3.03Å; N113-M117 VanDerWaalsContact O-N 3.13Å; N113-M117 PolarHBondContact OD1-N 3.38Å; M117-N119 PolarHBondContact O-N 3.33Å; M117-N120 HydrophobicContact CB-CB 4.48Å; M117-N120 WeakPolarHBondContact O-CB 3.41Å; M117-N120 PolarHBondContact O-N 3.4Å; M117-N120 PolarHBondContact O-ND2 3.1Å; M117-F121 HydrophobicContact CB-CB 3.8Å; M117-F121 HydrophobicContact CG-CB 4.3Å; M117-F121 HydrophobicContact SD-CB 3.5Å; M117-F121 VanDerWaalsContact SD-CB 3.5Å; M117-F121 HydrophobicContact SD-CD1 4.18Å; M117-F121 HydrophobicContact SD-CG 3.91Å; M117-F211 HydrophobicContact SD-CE2 3.86Å; M117-W213 HydrophobicContact CG-CH2 4.34Å; M117-W213 HydrophobicContact CG-CZ2 3.94Å
118	Q	88.6	Confident	93.9	Very high	121 Å²	121	41.6 Å²	41.6	57%	0.565	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	50.6	-127.2	-177.6	-55.5	173.2	19.2	0	0	110.1	N113 P114 N120	N113-Q118 PolarHBondContact O-N 3.24Å; P114-Q118 WeakPolarHBondContact O-CG 3.45Å; Q118-N120 PolarHBondContact O-N 3.24Å; Q118-N120 VanDerWaalsContact O-N 3.16Å
119	N	88.8	Confident	93.9	Very high	126 Å²	126	41 Å²	41	67%	0.674	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-74.1	1	179.8	-60	-22.3	0	0	0	114.3	M117 F121	M117-N119 PolarHBondContact O-N 3.33Å; N119-F121 VanDerWaalsContact C-N 3.33Å
120	N	90.8	Very high	93.9	Very high	63 Å²	63	41.1 Å²	41.1	34%	0.337	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-84.6	-7.2	177.6	-58.7	-57.1	0	0	0	113.3	M117 Q118 F211 K212	M117-N120 HydrophobicContact CB-CB 4.48Å; M117-N120 WeakPolarHBondContact O-CB 3.41Å; M117-N120 PolarHBondContact O-N 3.4Å; M117-N120 PolarHBondContact O-ND2 3.1Å; Q118-N120 PolarHBondContact O-N 3.24Å; Q118-N120 VanDerWaalsContact O-N 3.16Å; N120-F211 CarbonylContact O-C 3.6Å; N120-F211 WeakPolarHBondContact O-CA 3.5Å; N120-K212 HydrophobicContact CB-CB 4.2Å; N120-K212 PolarHBondContact O-N 2.83Å
121	F	92.5	Very high	93.9	Very high	16 Å²	16	42.9 Å²	42.9	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	125.6	174.8	173.9	-117.4	0	0	0	111	I96 N113 M117 N119 L123 E210 F211 I224	I96-F121 HydrophobicContact CD1-CD1 4.37Å; I96-F121 HydrophobicContact CD1-CE1 3.97Å; N113-F121 HydrophobicContact CB-CD1 4.09Å; M117-F121 HydrophobicContact CB-CB 3.8Å; M117-F121 HydrophobicContact CG-CB 4.3Å; M117-F121 HydrophobicContact SD-CB 3.5Å; M117-F121 VanDerWaalsContact SD-CB 3.5Å; M117-F121 HydrophobicContact SD-CD1 4.18Å; M117-F121 HydrophobicContact SD-CG 3.91Å; N119-F121 VanDerWaalsContact C-N 3.33Å; F121-L123 HydrophobicContact CE2-CB 4.11Å; F121-L123 HydrophobicContact CZ-CB 3.84Å; F121-E210 WeakPolarHBondContact CA-O 3.48Å; F121-F211 HydrophobicContact CB-CD2 4.33Å; F121-F211 AromaticContact CD2-CD2 3.78Å; F121-F211 HydrophobicContact CD2-CD2 3.78Å; F121-F211 HydrophobicContact CG-CD2 4.38Å; F121-I224 HydrophobicContact CE2-CD1 3.66Å; F121-I224 HydrophobicContact CZ-CD1 4.22Å
122	T	94.7	Very high	93.8	Very high	35 Å²	35	47.3 Å²	47.3	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	126.7	167.6	-63.9	0	0	0	0	108.8	V110 Q112 E210	V110-T122 HydrophobicContact CG1-CG2 4.14Å; Q112-T122 HydrophobicContact CG-CG2 4.37Å; Q112-T122 PolarHBondContact NE2-OG1 2.88Å; T122-E210 PolarHBondContact N-O 3.41Å; T122-E210 PolarHBondContact O-N 3.44Å
123	L	96.4	Very high	93.6	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.2	169.3	166.4	64.5	0	0	0	107.4	L111 F121 I125 V207 C209 I224	L111-L123 HydrophobicContact CB-CB 4.14Å; L111-L123 HydrophobicContact CB-CD2 4.43Å; L111-L123 HydrophobicContact CB-CG 4.48Å; L111-L123 HydrophobicContact CD1-CD2 4.02Å; L111-L123 HydrophobicContact CD1-CG 4.08Å; L111-L123 PolarHBondContact N-O 3.22Å; L111-L123 PolarHBondContact O-N 3.31Å; F121-L123 HydrophobicContact CE2-CB 4.11Å; F121-L123 HydrophobicContact CZ-CB 3.84Å; L123-I125 HydrophobicContact CD1-CG1 4.39Å; L123-I125 HydrophobicContact CG-CG1 4.39Å; L123-V207 HydrophobicContact CD1-CG1 3.6Å; L123-C209 HydrophobicContact CD1-CB 4.11Å; L123-I224 HydrophobicContact CD1-CG2 3.86Å; L123-I224 HydrophobicContact CD2-CG2 3.81Å; L123-I224 HydrophobicContact CG-CG2 4.42Å
124	M	97.7	Very high	93.8	Very high	50 Å²	50	52.6 Å²	52.6	25%	0.246	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.6	176.9	-174.5	174.4	67.9	0	0	109.4	R108 T109 V110 E126 V207 T208	R108-M124 HydrophobicContact CG-CG 4.29Å; R108-M124 HydrophobicContact CG-SD 4.38Å; T109-M124 CarbonylContact O-C 3.57Å; T109-M124 WeakPolarHBondContact O-CA 3.28Å; V110-M124 HydrophobicContact CG2-CG 4.25Å; M124-E126 HydrophobicContact CE-CG 4.26Å; M124-E126 VanDerWaalsContact CE-OE2 3.25Å; M124-E126 WeakPolarHBondContact CE-OE2 3.34Å; M124-E126 HydrophobicContact CG-CG 4.09Å; M124-E126 HydrophobicContact SD-CG 4.17Å; M124-V207 WeakPolarHBondContact O-CA 2.82Å; M124-T208 PolarHBondContact N-O 3.37Å; M124-T208 PolarHBondContact O-N 2.86Å
125	I	98.5	Very high	94.2	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	109	175.3	-52.4	171.9	0	0	0	106.8	T109 L111 L123 L206 V207 E228 F232	T109-I125 PolarHBondContact N-O 3.37Å; T109-I125 PolarHBondContact O-N 3.44Å; L111-I125 HydrophobicContact CD1-CD1 4.11Å; L123-I125 HydrophobicContact CD1-CG1 4.39Å; L123-I125 HydrophobicContact CG-CG1 4.39Å; I125-L206 CarbonylContact C-O 3.58Å; I125-L206 WeakPolarHBondContact CA-O 3.22Å; I125-V207 HydrophobicContact CG1-CG2 4.33Å; I125-V207 HydrophobicContact CG2-CG2 4.38Å; I125-E228 WeakPolarHBondContact CD1-OE2 3.19Å; I125-F232 HydrophobicContact CD1-CZ 4.37Å; I125-F232 HydrophobicContact CG2-CZ 4.04Å
126	E	98.5	Very high	94.7	Very high	19 Å²	19	49.8 Å²	49.8	9%	0.089	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.2	172.2	-68.7	177	122.9	0	0	108.1	Y106 C107 R108 M124 H140 K205 L206	Y106-E126 HydrophobicContact CE2-CB 4.32Å; Y106-E126 WeakPolarHBondContact OH-CG 3.2Å; Y106-E126 PolarHBondContact OH-OE1 2.98Å; C107-E126 CarbonylContact O-C 3.52Å; C107-E126 WeakPolarHBondContact O-CA 3.06Å; R108-E126 HydrophobicContact CB-CG 4.26Å; R108-E126 HydrophobicContact CG-CG 3.91Å; R108-E126 IonicContact CZ-OE1 2.92Å; R108-E126 IonicContact NE-OE1 2.67Å; R108-E126 PolarHBondContact NE-OE1 3.27Å; R108-E126 IonicContact NH2-OE1 2.6Å; R108-E126 PolarHBondContact NH2-OE1 2.99Å; M124-E126 HydrophobicContact CE-CG 4.26Å; M124-E126 VanDerWaalsContact CE-OE2 3.25Å; M124-E126 WeakPolarHBondContact CE-OE2 3.34Å; M124-E126 HydrophobicContact CG-CG 4.09Å; M124-E126 HydrophobicContact SD-CG 4.17Å; E126-H140 PolarHBondContact O-NE2 2.83Å; E126-K205 CarbonylContact O-C 3.58Å; E126-K205 WeakPolarHBondContact O-CA 3.15Å; E126-L206 HydrophobicContact CB-CB 4.42Å; E126-L206 PolarHBondContact N-O 3.39Å; E126-L206 PolarHBondContact O-N 3.34Å
127	S	98.6	Very high	95.1	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.9	-177.8	60.7	0	0	0	0	112.3	Y106 C107 Y204	Y106-S127 CarbonylContact C-O 3.53Å; Y106-S127 VanDerWaalsContact CA-O 3.27Å; Y106-S127 WeakPolarHBondContact CA-O 3.31Å; Y106-S127 WeakPolarHBondContact CD2-O 3.33Å; C107-S127 WeakPolarHBondContact CB-OG 3.49Å; C107-S127 PolarHBondContact N-O 2.94Å; C107-S127 PolarHBondContact O-N 3.01Å; C107-S127 PolarHBondContact O-OG 2.54Å; S127-Y204 CarbonylContact C-O 3.58Å; S127-Y204 WeakPolarHBondContact CA-O 2.99Å; S127-Y204 WeakPolarHBondContact CB-O 3.44Å
128	M	98.7	Very high	95.6	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.1	174.7	-171.7	63	-164.2	0	0	109.1	A60 N61 F65 P105 Y106 V130 I139 Y204	A60-M128 HydrophobicContact CB-CB 4.33Å; A60-M128 HydrophobicContact CB-CG 4.32Å; A60-M128 HydrophobicContact CB-SD 4.16Å; N61-M128 HydrophobicContact CB-CE 4.37Å; F65-M128 HydrophobicContact CZ-CE 4.33Å; F65-M128 HydrophobicContact CZ-SD 4.25Å; P105-M128 HydrophobicContact CB-CE 3.89Å; P105-M128 HydrophobicContact CB-SD 4.38Å; P105-M128 HydrophobicContact CG-CE 3.83Å; Y106-M128 HydrophobicContact CD2-SD 4.39Å; M128-V130 HydrophobicContact CG-CG2 4.22Å; M128-I139 HydrophobicContact CB-CD1 3.95Å; M128-I139 HydrophobicContact CB-CG1 4.23Å; M128-I139 HydrophobicContact CG-CD1 3.62Å; M128-I139 HydrophobicContact CG-CG1 3.97Å; M128-Y204 PolarHBondContact N-O 2.84Å; M128-Y204 PolarHBondContact O-N 2.83Å
129	H	98.7	Very high	96	Very high	3 Å²	3	47 Å²	47	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.7	-175.4	-54.6	83.5	0	0	0	109.4	V14 Y17 Y104 P105 M201 C202 A203	V14-H129 HydrophobicContact CG1-CB 4.42Å; Y17-H129 AromaticContact CD1-CD2 3.57Å; Y17-H129 AromaticContact CE1-CD2 3.26Å; Y17-H129 WeakPolarHBondContact CE1-CD2 3.36Å; Y17-H129 AromaticContact CE1-NE2 3.31Å; Y17-H129 VanDerWaalsContact CE1-NE2 3.31Å; Y17-H129 WeakPolarHBondContact CE1-NE2 3.28Å; Y104-H129 HydrophobicContact CE2-CB 4.1Å; Y104-H129 AromaticContact CE2-CG 3.76Å; Y104-H129 AromaticContact CE2-ND1 3.55Å; P105-H129 HydrophobicContact CB-CB 4.14Å; P105-H129 WeakPolarHBondContact CB-O 3.39Å; P105-H129 PolarHBondContact O-N 2.81Å; P105-H129 VanDerWaalsContact O-N 3.12Å; P105-H129 PolarHBondContact O-ND1 3.01Å; H129-M201 HydrophobicContact CB-CE 3.82Å; H129-C202 WeakPolarHBondContact CA-O 3.46Å; H129-A203 VanDerWaalsContact CD2-CB 3.43Å; H129-A203 WeakPolarHBondContact CD2-CB 3.29Å
130	V	98.3	Very high	96.5	Very high	23 Å²	23	41.5 Å²	41.5	14%	0.139	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.9	-174.5	-174.7	0	0	0	0	111.5	V14 M128 K133 I136 I139 M201 C202 Y204	V14-V130 VanDerWaalsContact CG2-C 3.47Å; M128-V130 HydrophobicContact CG-CG2 4.22Å; V130-K133 HydrophobicContact CG1-CB 4.22Å; V130-I136 HydrophobicContact CB-CD1 4.17Å; V130-I136 HydrophobicContact CG1-CD1 3.7Å; V130-I136 HydrophobicContact CG2-CD1 4.09Å; V130-I139 HydrophobicContact CG2-CD1 3.5Å; V130-M201 CarbonylContact O-C 2.96Å; V130-M201 VanDerWaalsContact O-CA 3.29Å; V130-M201 WeakPolarHBondContact O-CA 3.44Å; V130-M201 WeakPolarHBondContact O-CB 3.49Å; V130-C202 PolarHBondContact N-O 2.98Å; V130-C202 PolarHBondContact O-N 3.18Å; V130-Y204 HydrophobicContact CB-CE2 4.19Å; V130-Y204 HydrophobicContact CG2-CE2 4.25Å
131	Q	98	Very high	96.8	Very high	57 Å²	57	42.1 Å²	42.1	27%	0.266	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	141.3	177.4	-168.4	61.2	47.2	0	0	111.2	T13 V14 K133 I200	T13-Q131 VanDerWaalsContact CA-OE1 3.22Å; V14-Q131 HydrophobicContact CG2-CB 3.89Å; Q131-K133 PolarHBondContact O-N 3.1Å; Q131-I200 PolarHBondContact NE2-O 2.94Å
132	D	93.8	Very high	97	Very high	115 Å²	115	42.2 Å²	42.2	62%	0.615	21%	0.213	S	C	*	.	S	Bend	trans	55	11.8	170.5	-51.3	-31.2	0	0	0	116.2	I200	D132-I200 WeakPolarHBondContact CA-O 3.39Å; D132-I200 PolarHBondContact N-O 3.18Å
133	K	92.5	Very high	97.1	Very high	129 Å²	129	43.7 Å²	43.7	56%	0.561	22%	0.224	S	C	*	.			trans	-136.3	117.2	179.9	-65.8	-177.8	179	176.8	0	111.1	V130 Q131 I136 C202 Y204	V130-K133 HydrophobicContact CG1-CB 4.22Å; Q131-K133 PolarHBondContact O-N 3.1Å; K133-I136 HydrophobicContact CB-CD1 3.81Å; K133-I136 HydrophobicContact CB-CG1 3.86Å; K133-I136 HydrophobicContact CD-CD1 3.84Å; K133-I136 HydrophobicContact CD-CG1 4.07Å; K133-I136 HydrophobicContact CG-CD1 4.49Å; K133-C202 WeakPolarHBondContact O-CB 3.34Å; K133-Y204 PolarHBondContact O-OH 3.28Å
134	I	95	Very high	97.1	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.138	26%	0.256	C	S	.	.	S	Bend	trans	-102.9	-12.4	179.6	64.3	164.2	0	0	0	113.9	R7 I9 I200 C202 Y204	R7-I134 WeakPolarHBondContact CD-O 3.37Å; I9-I134 HydrophobicContact CD1-CB 4.32Å; I9-I134 HydrophobicContact CD1-CD1 3.81Å; I9-I134 HydrophobicContact CD1-CG2 4.18Å; I9-I134 HydrophobicContact CG1-CB 4.3Å; I9-I134 HydrophobicContact CG1-CG2 3.91Å; I9-I134 HydrophobicContact CG2-CG2 4.09Å; I134-I200 HydrophobicContact CG2-CG2 4.16Å; I134-C202 HydrophobicContact CB-CB 4.3Å; I134-C202 HydrophobicContact CG2-CB 4.01Å; I134-Y204 WeakPolarHBondContact CA-OH 3.25Å; I134-Y204 PolarHBondContact O-OH 2.88Å
135	D	95.4	Very high	97.1	Very high	96 Å²	96	54 Å²	54	51%	0.513	28%	0.278	S	S	.	.			trans	-120.9	29.6	-169.9	-66.4	-16	0	0	0	115.2	R7 E137 Y154 Y204	R7-D135 VanDerWaalsContact NH1-CA 3.33Å; R7-D135 IonicContact NH1-OD1 2.79Å; D135-E137 PolarHBondContact O-N 2.74Å; D135-Y154 VanDerWaalsContact OD1-CE1 3.24Å; D135-Y154 WeakPolarHBondContact OD1-CE1 3.24Å; D135-Y154 VanDerWaalsContact OD1-CZ 3.29Å; D135-Y154 PolarHBondContact OD1-OH 3.33Å; D135-Y204 PolarHBondContact N-OH 2.72Å; D135-Y204 VanDerWaalsContact N-OH 3.16Å
136	I	97.2	Very high	97	Very high	35 Å²	35	55.6 Å²	55.6	18%	0.179	29%	0.286	C	S	.	.			trans	-67.2	121.2	-179.3	-61.2	174.4	0	0	0	110.4	R7 V130 K133 I139 Y204	R7-I136 PolarHBondContact NH2-O 2.81Å; R7-I136 VanDerWaalsContact NH2-O 3.12Å; V130-I136 HydrophobicContact CB-CD1 4.17Å; V130-I136 HydrophobicContact CG1-CD1 3.7Å; V130-I136 HydrophobicContact CG2-CD1 4.09Å; K133-I136 HydrophobicContact CB-CD1 3.81Å; K133-I136 HydrophobicContact CB-CG1 3.86Å; K133-I136 HydrophobicContact CD-CD1 3.84Å; K133-I136 HydrophobicContact CD-CG1 4.07Å; K133-I136 HydrophobicContact CG-CD1 4.49Å; I136-I139 HydrophobicContact CB-CB 4.42Å; I136-I139 HydrophobicContact CB-CD1 4.35Å; I136-I139 HydrophobicContact CD1-CD1 4.2Å; I136-I139 HydrophobicContact CG2-CB 3.96Å; I136-I139 HydrophobicContact CG2-CD1 4.31Å; I136-I139 HydrophobicContact CG2-CG1 4.15Å; I136-Y204 HydrophobicContact CB-CE1 4.23Å; I136-Y204 WeakPolarHBondContact CG1-OH 3.03Å; I136-Y204 PolarHBondContact N-OH 3.22Å
137	E	97	Very high	97	Very high	116 Å²	116	56.6 Å²	56.6	54%	0.542	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	137.8	179.5	-176.8	53.8	-163.6	0	0	112.2	R7 D135 I139 R150	R7-E137 IonicContact NH2-OE2 3.17Å; D135-E137 PolarHBondContact O-N 2.74Å; E137-I139 VanDerWaalsContact C-N 3.27Å; E137-I139 PolarHBondContact O-N 2.89Å; E137-R150 IonicContact OE1-CZ 2.96Å; E137-R150 IonicContact OE1-NH2 3.85Å; E137-R150 PolarHBondContact OE1-NH2 2.91Å; E137-R150 IonicContact OE2-CZ 3.79Å; E137-R150 IonicContact OE2-NH1 3.62Å; E137-R150 IonicContact OE2-NH2 3.25Å; E137-R150 PolarHBondContact OE2-NH2 3.45Å
138	N	97.6	Very high	97	Very high	41 Å²	41	60.7 Å²	60.7	22%	0.219	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	40.8	179.2	-162.6	22.9	0	0	0	115.2	H140 N141 L142 L147	N138-H140 PolarHBondContact O-N 2.8Å; N138-H140 VanDerWaalsContact O-N 3.11Å; N138-N141 PolarHBondContact O-N 2.85Å; N138-L142 PolarHBondContact ND2-O 3.43Å; N138-L142 WeakPolarHBondContact OD1-CB 3.29Å; N138-L142 PolarHBondContact OD1-N 2.8Å; N138-L147 HydrophobicContact CB-CD1 3.94Å; N138-L147 HydrophobicContact CB-CD2 3.96Å
139	I	98	Very high	96.9	Very high	2 Å²	2	65 Å²	65	1%	0.01	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.6	-178.6	-163.9	171.7	0	0	0	113.3	A60 N61 M128 V130 I136 E137 N141 Y204	A60-I139 CarbonylContact C-O 3.55Å; N61-I139 HydrophobicContact CB-CG1 4.1Å; N61-I139 PolarHBondContact N-O 2.9Å; M128-I139 HydrophobicContact CB-CD1 3.95Å; M128-I139 HydrophobicContact CB-CG1 4.23Å; M128-I139 HydrophobicContact CG-CD1 3.62Å; M128-I139 HydrophobicContact CG-CG1 3.97Å; V130-I139 HydrophobicContact CG2-CD1 3.5Å; I136-I139 HydrophobicContact CB-CB 4.42Å; I136-I139 HydrophobicContact CB-CD1 4.35Å; I136-I139 HydrophobicContact CD1-CD1 4.2Å; I136-I139 HydrophobicContact CG2-CB 3.96Å; I136-I139 HydrophobicContact CG2-CD1 4.31Å; I136-I139 HydrophobicContact CG2-CG1 4.15Å; E137-I139 VanDerWaalsContact C-N 3.27Å; E137-I139 PolarHBondContact O-N 2.89Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.19Å; I139-Y204 HydrophobicContact CD1-CD1 4.43Å; I139-Y204 HydrophobicContact CD1-CD2 3.7Å; I139-Y204 HydrophobicContact CD1-CE2 3.88Å; I139-Y204 HydrophobicContact CD1-CG 4.01Å; I139-Y204 HydrophobicContact CG2-CD1 3.68Å; I139-Y204 HydrophobicContact CG2-CE1 4.39Å; I139-Y204 HydrophobicContact CG2-CG 3.78Å
140	H	98.2	Very high	96.8	Very high	9 Å²	9	66.2 Å²	66.2	4%	0.042	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	10.8	178.2	-60.3	103	0	0	0	113.7	E5 E126 N138 L142 L206	E5-H140 IonicContact OE2-CE1 2.79Å; E5-H140 IonicContact OE2-ND1 3.77Å; E5-H140 PolarHBondContact OE2-ND1 2.98Å; E5-H140 VanDerWaalsContact OE2-ND1 3.1Å; E126-H140 PolarHBondContact O-NE2 2.83Å; N138-H140 PolarHBondContact O-N 2.8Å; N138-H140 VanDerWaalsContact O-N 3.11Å; H140-L142 HydrophobicContact CB-CG 4.45Å; H140-L142 PolarHBondContact O-N 2.75Å; H140-L142 VanDerWaalsContact O-N 3.15Å; H140-L206 HydrophobicContact CB-CD2 3.85Å
141	N	96.7	Very high	96.8	Very high	77 Å²	77	69.4 Å²	69.4	41%	0.412	36%	0.364	S	S	.	.			trans	52.3	36.8	180	-62.9	106.8	0	0	0	113.8	A60 N61 G62 N138 I139	A60-N141 VanDerWaalsContact CA-OD1 3.22Å; A60-N141 WeakPolarHBondContact CA-OD1 3.16Å; N61-N141 PolarHBondContact N-OD1 2.83Å; G62-N141 PolarHBondContact N-ND2 2.81Å; G62-N141 PolarHBondContact N-OD1 2.76Å; N138-N141 PolarHBondContact O-N 2.85Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.19Å
142	L	97.5	Very high	96.8	Very high	17 Å²	17	69 Å²	69	9%	0.089	37%	0.366	C	S	.	.			trans	-61.7	139.1	178.4	-71.6	176.7	0	0	0	110.7	N138 H140 L146 L147 R150 L206	N138-L142 PolarHBondContact ND2-O 3.43Å; N138-L142 WeakPolarHBondContact OD1-CB 3.29Å; N138-L142 PolarHBondContact OD1-N 2.8Å; H140-L142 HydrophobicContact CB-CG 4.45Å; H140-L142 PolarHBondContact O-N 2.75Å; H140-L142 VanDerWaalsContact O-N 3.15Å; L142-L146 HydrophobicContact CB-CB 4.42Å; L142-L146 HydrophobicContact CD2-CB 4.16Å; L142-L146 HydrophobicContact CD2-CD1 4.39Å; L142-L147 HydrophobicContact CB-CB 4.04Å; L142-L147 HydrophobicContact CB-CD1 4.5Å; L142-L147 HydrophobicContact CD1-CD1 4.5Å; L142-R150 HydrophobicContact CD1-CB 4.21Å; L142-R150 HydrophobicContact CD1-CG 4.36Å; L142-L206 HydrophobicContact CD1-CD1 4.05Å; L142-L206 HydrophobicContact CD1-CD2 4.19Å; L142-L206 HydrophobicContact CD2-CD2 3.8Å; L142-L206 HydrophobicContact CG-CD2 4.17Å
143	P	96.5	Very high	97	Very high	67 Å²	67	64.8 Å²	64.8	44%	0.435	34%	0.344	S	S	.	.			trans	-64.9	152.9	170.8	28.2	-34.6	0	0	0	110.2	K145 L146 L147	P143-K145 PolarHBondContact O-N 3.4Å; P143-L146 HydrophobicContact CG-CB 4.09Å; P143-L146 HydrophobicContact CG-CD1 3.8Å; P143-L146 HydrophobicContact CG-CG 3.86Å; P143-L146 PolarHBondContact O-N 2.82Å; P143-L147 PolarHBondContact O-N 3.09Å
144	P	97.8	Very high	97.3	Very high	109 Å²	109	63.1 Å²	63.1	71%	0.708	34%	0.335	S	S	*	.	H	α-helix	trans	-50.8	-38.1	-171.8	-30.5	35.1	0	0	0	114.9	A148	P144-A148 WeakPolarHBondContact O-CB 3.44Å; P144-A148 PolarHBondContact O-N 2.84Å
145	K	97.5	Very high	97.5	Very high	164 Å²	164	61.9 Å²	61.9	71%	0.713	33%	0.328	S	S	*	.	H	α-helix	trans	-64.3	-41.4	178.4	-178.5	-178.9	176.8	-174.7	0	113.1	P143 Q149	P143-K145 PolarHBondContact O-N 3.4Å; K145-Q149 PolarHBondContact O-NE2 2.86Å
146	L	96.6	Very high	97.6	Very high	51 Å²	51	58 Å²	58	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-79.5	-37.2	179.3	-62.8	-175.7	0	0	0	110.6	M1 I3 L142 P143 A148 Q149 R150	M1-L146 HydrophobicContact CE-CD2 3.79Å; I3-L146 HydrophobicContact CD1-CB 4.06Å; I3-L146 HydrophobicContact CD1-CD2 3.96Å; I3-L146 HydrophobicContact CD1-CG 4.5Å; L142-L146 HydrophobicContact CB-CB 4.42Å; L142-L146 HydrophobicContact CD2-CB 4.16Å; L142-L146 HydrophobicContact CD2-CD1 4.39Å; P143-L146 HydrophobicContact CG-CB 4.09Å; P143-L146 HydrophobicContact CG-CD1 3.8Å; P143-L146 HydrophobicContact CG-CG 3.86Å; P143-L146 PolarHBondContact O-N 2.82Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 3.23Å; L146-Q149 PolarHBondContact O-N 2.86Å; L146-R150 PolarHBondContact O-N 2.83Å; L146-R150 VanDerWaalsContact O-N 3.15Å
147	L	97.9	Very high	97.7	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-42.6	174.4	-176.2	61.5	0	0	0	111.7	N138 L142 P143 Q149 R150	N138-L147 HydrophobicContact CB-CD1 3.94Å; N138-L147 HydrophobicContact CB-CD2 3.96Å; L142-L147 HydrophobicContact CB-CB 4.04Å; L142-L147 HydrophobicContact CB-CD1 4.5Å; L142-L147 HydrophobicContact CD1-CD1 4.5Å; P143-L147 PolarHBondContact O-N 3.09Å; L147-Q149 PolarHBondContact O-N 3.04Å; L147-R150 VanDerWaalsContact CD1-CZ 3.48Å; L147-R150 WeakPolarHBondContact O-CB 3.38Å; L147-R150 PolarHBondContact O-N 3.08Å
148	A	97.6	Very high	97.7	Very high	91 Å²	91	50.9 Å²	50.9	75%	0.752	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.2	176.8	0	0	0	0	0	114.4	P144 L146	P144-A148 WeakPolarHBondContact O-CB 3.44Å; P144-A148 PolarHBondContact O-N 2.84Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 3.23Å
149	Q	96.3	Very high	97.7	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-12.7	176.5	-70.6	169.1	62.8	0	0	112.9	I3 K145 L146 L147 E151	I3-Q149 HydrophobicContact CD1-CB 4.21Å; K145-Q149 PolarHBondContact O-NE2 2.86Å; L146-Q149 PolarHBondContact O-N 2.86Å; L147-Q149 PolarHBondContact O-N 3.04Å; Q149-E151 PolarHBondContact O-N 2.75Å
150	R	97.7	Very high	97.7	Very high	29 Å²	29	54.2 Å²	54.2	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.1	-176.3	-179.3	-164	66.6	169.2	-2	110.3	I3 E5 E137 L142 L146 L147 L206	I3-R150 HydrophobicContact CG2-CB 4.14Å; I3-R150 HydrophobicContact CG2-CG 4.21Å; E5-R150 HydrophobicContact CB-CG 3.95Å; E5-R150 VanDerWaalsContact CD-NH1 3.28Å; E5-R150 IonicContact OE1-CZ 2.8Å; E5-R150 IonicContact OE1-NH1 3.31Å; E5-R150 PolarHBondContact OE1-NH1 3.49Å; E5-R150 IonicContact OE2-CZ 2.91Å; E5-R150 IonicContact OE2-NH1 3.69Å; E5-R150 PolarHBondContact OE2-NH1 3.38Å; E137-R150 IonicContact OE1-CZ 2.96Å; E137-R150 IonicContact OE1-NH2 3.85Å; E137-R150 PolarHBondContact OE1-NH2 2.91Å; E137-R150 IonicContact OE2-CZ 3.79Å; E137-R150 IonicContact OE2-NH1 3.62Å; E137-R150 IonicContact OE2-NH2 3.25Å; E137-R150 PolarHBondContact OE2-NH2 3.45Å; L142-R150 HydrophobicContact CD1-CB 4.21Å; L142-R150 HydrophobicContact CD1-CG 4.36Å; L146-R150 PolarHBondContact O-N 2.83Å; L146-R150 VanDerWaalsContact O-N 3.15Å; L147-R150 VanDerWaalsContact CD1-CZ 3.48Å; L147-R150 WeakPolarHBondContact O-CB 3.38Å; L147-R150 PolarHBondContact O-N 3.08Å; R150-L206 HydrophobicContact CG-CD1 4.23Å
151	E	98.1	Very high	97.6	Very high	90 Å²	90	61.9 Å²	61.9	42%	0.421	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.4	165.5	-175.9	-169.8	146.1	0	0	109.5	I3 K4 E5 Q149 V153	I3-E151 PolarHBondContact O-N 3.49Å; K4-E151 CarbonylContact C-O 3.53Å; K4-E151 VanDerWaalsContact CA-O 3.32Å; K4-E151 WeakPolarHBondContact CA-O 3.46Å; K4-E151 WeakPolarHBondContact CE-OE2 3.38Å; K4-E151 HydrophobicContact CG-CB 4.3Å; K4-E151 IonicContact NZ-OE1 3.1Å; K4-E151 PolarHBondContact NZ-OE1 3.16Å; K4-E151 IonicContact NZ-OE2 3.91Å; K4-E151 PolarHBondContact NZ-OE2 3.05Å; E5-E151 PolarHBondContact N-O 2.87Å; Q149-E151 PolarHBondContact O-N 2.75Å; E151-V153 HydrophobicContact CG-CG2 4.08Å; E151-V153 WeakPolarHBondContact OE1-CG2 3.49Å
152	V	98.6	Very high	97.6	Very high	50 Å²	50	59.7 Å²	59.7	30%	0.303	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.8	173.7	176.6	0	0	0	0	109.2	E5 R7 Y154	E5-V152 WeakPolarHBondContact O-CA 3.16Å; R7-V152 HydrophobicContact CG-CG1 4.26Å; V152-Y154 HydrophobicContact CG1-CE2 3.97Å
153	V	98.4	Very high	97.4	Very high	26 Å²	26	62.8 Å²	62.8	16%	0.158	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.5	-179.3	-177.7	0	0	0	0	109.1	K4 E5 F6 R7 E151	K4-V153 HydrophobicContact CD-CG2 4.33Å; E5-V153 PolarHBondContact O-N 2.63Å; F6-V153 CarbonylContact C-O 3.59Å; F6-V153 VanDerWaalsContact CA-O 3.23Å; F6-V153 WeakPolarHBondContact CA-O 3.49Å; F6-V153 HydrophobicContact CD1-CB 3.76Å; F6-V153 HydrophobicContact CD1-CG1 3.91Å; F6-V153 HydrophobicContact CD1-CG2 4.48Å; F6-V153 HydrophobicContact CE1-CB 4Å; F6-V153 HydrophobicContact CE1-CG1 4.04Å; F6-V153 HydrophobicContact CE1-CG2 4.28Å; R7-V153 PolarHBondContact N-O 2.95Å; E151-V153 HydrophobicContact CG-CG2 4.08Å; E151-V153 WeakPolarHBondContact OE1-CG2 3.49Å
154	Y	98.2	Very high	97.3	Very high	94 Å²	94	61.3 Å²	61.3	37%	0.369	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	141.9	170.9	-65.6	-90.1	0	0	0	109.9	R7 I9 D135 V152	R7-Y154 HydrophobicContact CB-CD1 3.76Å; R7-Y154 HydrophobicContact CB-CE1 3.91Å; R7-Y154 HydrophobicContact CB-CG 4.47Å; R7-Y154 HydrophobicContact CG-CE1 4.35Å; R7-Y154 PolarHBondContact NH1-OH 3.48Å; I9-Y154 HydrophobicContact CD1-CD1 4.29Å; D135-Y154 VanDerWaalsContact OD1-CE1 3.24Å; D135-Y154 WeakPolarHBondContact OD1-CE1 3.24Å; D135-Y154 VanDerWaalsContact OD1-CZ 3.29Å; D135-Y154 PolarHBondContact OD1-OH 3.33Å; V152-Y154 HydrophobicContact CG1-CE2 3.97Å
155	I	98.5	Very high	97	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111	172.4	-62.1	-174.1	0	0	0	107.6	F6 R7 I8 R229 F232 L233	F6-I155 HydrophobicContact CB-CD1 3.97Å; F6-I155 HydrophobicContact CB-CG1 4.43Å; F6-I155 HydrophobicContact CD1-CD1 3.75Å; F6-I155 HydrophobicContact CD1-CG1 4.15Å; F6-I155 HydrophobicContact CG-CD1 4.13Å; R7-I155 PolarHBondContact O-N 3.32Å; I8-I155 HydrophobicContact CD1-CD1 4.48Å; I8-I155 HydrophobicContact CG1-CB 4Å; I8-I155 HydrophobicContact CG1-CD1 3.99Å; I8-I155 HydrophobicContact CG1-CG1 4.36Å; I8-I155 HydrophobicContact CG1-CG2 4.41Å; I8-I155 HydrophobicContact CG2-CG2 4.44Å; I155-R229 HydrophobicContact CD1-CG 3.97Å; I155-R229 HydrophobicContact CG1-CG 4.43Å; I155-F232 HydrophobicContact CD1-CB 3.76Å; I155-F232 HydrophobicContact CD1-CD2 4.37Å; I155-L233 HydrophobicContact CG2-CB 3.97Å; I155-L233 HydrophobicContact CG2-CD1 3.76Å; I155-L233 HydrophobicContact CG2-CG 4.42Å
156	D	97.9	Very high	96.8	Very high	14 Å²	14	57 Å²	57	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107	171.7	-177.4	-16	0	0	0	109.5	V158 N159 D160 W192 W193	D156-V158 PolarHBondContact O-N 3.31Å; D156-V158 WeakPolarHBondContact OD1-CA 3.4Å; D156-V158 WeakPolarHBondContact OD1-CB 3.37Å; D156-V158 PolarHBondContact OD1-N 3.2Å; D156-N159 PolarHBondContact OD1-N 3.19Å; D156-N159 WeakPolarHBondContact OD2-CB 3.38Å; D156-N159 PolarHBondContact OD2-ND2 2.98Å; D156-D160 WeakPolarHBondContact O-CB 3.48Å; D156-D160 PolarHBondContact O-N 3.35Å; D156-W192 PolarHBondContact OD1-NE1 3.02Å; D156-W193 HydrophobicContact CB-CH2 4.31Å; D156-W193 HydrophobicContact CB-CZ3 4.05Å; D156-W193 WeakPolarHBondContact OD2-CZ3 3.15Å
157	I	98.1	Very high	96.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.1	-178.6	67.5	172.2	0	0	0	114.1	I8 L10 P174 L187 W192 N236 R237 F240	I8-I157 HydrophobicContact CG2-CG2 3.97Å; L10-I157 HydrophobicContact CD2-CD1 3.82Å; L10-I157 HydrophobicContact CD2-CG2 4.25Å; I157-P174 HydrophobicContact CD1-CG 4.34Å; I157-P174 HydrophobicContact CG1-CG 4.36Å; I157-L187 HydrophobicContact CD1-CD1 4.19Å; I157-W192 HydrophobicContact CD1-CZ2 4.39Å; I157-W192 HydrophobicContact CG1-CZ2 4.04Å; I157-N236 HydrophobicContact CG2-CB 3.91Å; I157-R237 HydrophobicContact CB-CG 3.95Å; I157-R237 WeakPolarHBondContact O-CG 3.26Å; I157-R237 PolarHBondContact O-NH1 3.25Å; I157-F240 HydrophobicContact CD1-CB 4.16Å; I157-F240 HydrophobicContact CD1-CD1 4.49Å; I157-F240 HydrophobicContact CD1-CG 4.39Å
158	V	97.8	Very high	96.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-48.5	-175.9	-177.7	0	0	0	0	111	D156 P174 R175 L187 W192	D156-V158 PolarHBondContact O-N 3.31Å; D156-V158 WeakPolarHBondContact OD1-CA 3.4Å; D156-V158 WeakPolarHBondContact OD1-CB 3.37Å; D156-V158 PolarHBondContact OD1-N 3.2Å; V158-P174 HydrophobicContact CG2-CB 4.07Å; V158-R175 HydrophobicContact CG1-CG 3.59Å; V158-L187 HydrophobicContact CG1-CB 4.41Å; V158-L187 VanDerWaalsContact CG1-O 3.31Å; V158-L187 WeakPolarHBondContact CG1-O 3.41Å; V158-L187 HydrophobicContact CG2-CB 3.47Å; V158-L187 VanDerWaalsContact CG2-CB 3.47Å; V158-L187 HydrophobicContact CG2-CD1 3.71Å; V158-L187 HydrophobicContact CG2-CG 4.26Å; V158-W192 VanDerWaalsContact CG2-CD1 3.44Å; V158-W192 HydrophobicContact CG2-CD2 4.15Å; V158-W192 HydrophobicContact CG2-CG 4.05Å; V158-W192 HydrophobicContact CG2-CZ2 4.36Å
159	N	97.4	Very high	96.5	Very high	72 Å²	72	57.7 Å²	57.7	39%	0.385	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-16.1	-166.7	-58	-66.3	0	0	0	114.5	D156 Q161 G189	D156-N159 PolarHBondContact OD1-N 3.19Å; D156-N159 WeakPolarHBondContact OD2-CB 3.38Å; D156-N159 PolarHBondContact OD2-ND2 2.98Å; N159-Q161 PolarHBondContact O-N 3.25Å; N159-G189 PolarHBondContact ND2-O 3.19Å
160	D	97.6	Very high	96.5	Very high	42 Å²	42	55.7 Å²	55.7	23%	0.225	30%	0.303	C	S	.	.	S	Bend	trans	-64	139.4	178.3	-85.9	13.8	0	0	0	111.3	D156 L162 R229 L233	D156-D160 WeakPolarHBondContact O-CB 3.48Å; D156-D160 PolarHBondContact O-N 3.35Å; D160-L162 PolarHBondContact O-N 3.16Å; D160-R229 IonicContact OD2-CZ 3.9Å; D160-R229 IonicContact OD2-NH2 2.78Å; D160-R229 PolarHBondContact OD2-NH2 2.98Å; D160-L233 HydrophobicContact CB-CD1 4.15Å; D160-L233 HydrophobicContact CB-CD2 3.86Å
161	Q	96.8	Very high	96.4	Very high	170 Å²	170	58.8 Å²	58.8	79%	0.794	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-66.8	129.7	172.6	-171.8	175.7	-4.4	0	0	110.4	N159	N159-Q161 PolarHBondContact O-N 3.25Å
162	L	96.7	Very high	96.4	Very high	31 Å²	31	54.8 Å²	54.8	16%	0.162	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-64.3	146.8	171.2	-59.5	179.5	0	0	0	110.5	D160 D167 Y168 L233	D160-L162 PolarHBondContact O-N 3.16Å; L162-D167 HydrophobicContact CB-CB 4.33Å; L162-D167 HydrophobicContact CD1-CB 4.37Å; L162-Y168 HydrophobicContact CD1-CD2 3.91Å; L162-Y168 HydrophobicContact CD1-CG 4.34Å; L162-L233 HydrophobicContact CD2-CD2 4.01Å; L162-L233 HydrophobicContact CD2-CG 4.29Å
163	H	94.2	Very high	96.4	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.375	29%	0.294	S	S	.	.	S	Bend	trans	-66.7	-40.1	-177.3	-178.9	80.1	0	0	0	112.3	R230	H163-R230 HydrophobicContact CB-CB 4.04Å; H163-R230 HydrophobicContact CB-CG 3.65Å
164	S	92.7	Very high	96.4	Very high	36 Å²	36	51.3 Å²	51.3	25%	0.252	29%	0.286	S	S	.	.	S	Bend	trans	-131.4	151.3	176.9	175.7	0	0	0	0	110.9	S166 D167	S164-S166 WeakPolarHBondContact CB-OG 3.47Å; S164-S166 PolarHBondContact O-N 3.39Å; S164-S166 PolarHBondContact OG-N 3.3Å; S164-S166 PolarHBondContact OG-OG 3.44Å; S164-D167 PolarHBondContact N-OD2 3.47Å; S164-D167 VanDerWaalsContact O-CB 3.3Å; S164-D167 WeakPolarHBondContact O-CB 3.39Å; S164-D167 PolarHBondContact O-N 2.89Å
165	A	93.3	Very high	96.3	Very high	92 Å²	92	52.2 Å²	52.2	76%	0.76	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-60.2	-29.3	170.7	0	0	0	0	0	112.4	D167 Y168	A165-D167 PolarHBondContact O-N 3.36Å; A165-Y168 WeakPolarHBondContact O-CB 3.43Å; A165-Y168 PolarHBondContact O-N 3.04Å
166	S	91.8	Very high	96.3	Very high	90 Å²	90	57.3 Å²	57.3	63%	0.629	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-67.2	-16.3	175.3	63.8	0	0	0	0	113.7	S164 Y168	S164-S166 WeakPolarHBondContact CB-OG 3.47Å; S164-S166 PolarHBondContact O-N 3.39Å; S164-S166 PolarHBondContact OG-N 3.3Å; S164-S166 PolarHBondContact OG-OG 3.44Å; S166-Y168 VanDerWaalsContact C-N 3.26Å
167	D	93.9	Very high	96.3	Very high	24 Å²	24	58.2 Å²	58.2	13%	0.128	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-80.9	-12.4	177.7	-60.8	-15.7	0	0	0	111.9	L162 S164 A165 D169 R230 N234	L162-D167 HydrophobicContact CB-CB 4.33Å; L162-D167 HydrophobicContact CD1-CB 4.37Å; S164-D167 PolarHBondContact N-OD2 3.47Å; S164-D167 VanDerWaalsContact O-CB 3.3Å; S164-D167 WeakPolarHBondContact O-CB 3.39Å; S164-D167 PolarHBondContact O-N 2.89Å; A165-D167 PolarHBondContact O-N 3.36Å; D167-D169 PolarHBondContact O-N 2.88Å; D167-R230 IonicContact OD1-CZ 3.6Å; D167-R230 IonicContact OD1-NE 3.49Å; D167-R230 PolarHBondContact OD1-NE 2.84Å; D167-R230 IonicContact OD1-NH2 3.54Å; D167-R230 PolarHBondContact OD1-NH2 2.77Å; D167-R230 IonicContact OD2-CZ 2.67Å; D167-R230 IonicContact OD2-NE 3.39Å; D167-R230 PolarHBondContact OD2-NE 3.09Å; D167-R230 IonicContact OD2-NH2 3.84Å; D167-R230 PolarHBondContact OD2-NH2 3.45Å; D167-N234 PolarHBondContact OD2-ND2 3.27Å
168	Y	96.3	Very high	96.3	Very high	108 Å²	108	64 Å²	64	42%	0.424	34%	0.344	S	S	.	.			trans	-76.1	114.2	-179.5	-177.3	-104.2	0	0	0	110.8	L162 A165 S166 A170 D173	L162-Y168 HydrophobicContact CD1-CD2 3.91Å; L162-Y168 HydrophobicContact CD1-CG 4.34Å; A165-Y168 WeakPolarHBondContact O-CB 3.43Å; A165-Y168 PolarHBondContact O-N 3.04Å; S166-Y168 VanDerWaalsContact C-N 3.26Å; Y168-A170 HydrophobicContact CE1-CB 4.13Å; Y168-D173 HydrophobicContact CE2-CB 4.29Å; Y168-D173 PolarHBondContact OH-OD2 2.88Å
169	D	95.5	Very high	96.3	Very high	66 Å²	66	64 Å²	64	35%	0.353	35%	0.345	S	S	.	.			trans	-118.6	116.3	168.5	174.5	5.9	0	0	0	108.6	D167 T171 C172 D173	D167-D169 PolarHBondContact O-N 2.88Å; D169-T171 PolarHBondContact O-N 3.43Å; D169-T171 WeakPolarHBondContact OD1-CB 3.45Å; D169-T171 PolarHBondContact OD1-N 2.82Å; D169-T171 PolarHBondContact OD1-OG1 3.05Å; D169-T171 PolarHBondContact OD2-OG1 2.88Å; D169-C172 HydrophobicContact CB-CB 4.18Å; D169-C172 CarbonylContact O-C 3.59Å; D169-C172 VanDerWaalsContact O-C 3.26Å; D169-C172 WeakPolarHBondContact O-CA 3.11Å; D169-C172 PolarHBondContact O-N 2.84Å; D169-C172 PolarHBondContact OD2-SG 3.11Å; D169-D173 PolarHBondContact O-N 2.91Å
170	A	96.8	Very high	96.3	Very high	52 Å²	52	66.9 Å²	66.9	43%	0.43	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.8	-26.7	179.3	0	0	0	0	0	112.7	Y168 C172	Y168-A170 HydrophobicContact CE1-CB 4.13Å; A170-C172 PolarHBondContact O-N 2.81Å
171	T	96.2	Very high	96.4	Very high	95 Å²	95	70.5 Å²	70.5	58%	0.583	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-74.4	-16.9	175.3	76.6	0	0	0	0	112.5	D169	D169-T171 PolarHBondContact O-N 3.43Å; D169-T171 WeakPolarHBondContact OD1-CB 3.45Å; D169-T171 PolarHBondContact OD1-N 2.82Å; D169-T171 PolarHBondContact OD1-OG1 3.05Å; D169-T171 PolarHBondContact OD2-OG1 2.88Å
172	C	97.4	Very high	96.4	Very high	6 Å²	6	64.3 Å²	64.3	4%	0.041	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-115.7	36.8	176.7	-59.5	0	0	0	0	111.6	D169 A170 P174 R237 Q238 C241	D169-C172 HydrophobicContact CB-CB 4.18Å; D169-C172 CarbonylContact O-C 3.59Å; D169-C172 VanDerWaalsContact O-C 3.26Å; D169-C172 WeakPolarHBondContact O-CA 3.11Å; D169-C172 PolarHBondContact O-N 2.84Å; D169-C172 PolarHBondContact OD2-SG 3.11Å; A170-C172 PolarHBondContact O-N 2.81Å; C172-P174 WeakPolarHBondContact O-CD 3.3Å; C172-R237 PolarHBondContact O-NE 2.77Å; C172-R237 PolarHBondContact O-NH2 3.33Å; C172-Q238 HydrophobicContact CB-CG 4.27Å; C172-C241 HydrophobicContact CB-CB 4.23Å
173	D	98.1	Very high	96.4	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.016	37%	0.368	C	S	.	.			trans	-103.8	105.1	174.6	-170.5	10.5	0	0	0	113.1	Y168 D169 R175 I176 Y177 R237	Y168-D173 HydrophobicContact CE2-CB 4.29Å; Y168-D173 PolarHBondContact OH-OD2 2.88Å; D169-D173 PolarHBondContact O-N 2.91Å; D173-R175 PolarHBondContact O-N 3.04Å; D173-R175 IonicContact OD1-CZ 3.3Å; D173-R175 PolarHBondContact OD1-N 3.43Å; D173-R175 IonicContact OD1-NE 2.99Å; D173-R175 PolarHBondContact OD1-NE 2.85Å; D173-R175 IonicContact OD1-NH2 2.92Å; D173-R175 IonicContact OD2-CZ 2.7Å; D173-R175 VanDerWaalsContact OD2-CZ 3.31Å; D173-R175 IonicContact OD2-NE 2.74Å; D173-R175 PolarHBondContact OD2-NE 3.23Å; D173-R175 VanDerWaalsContact OD2-NE 3.07Å; D173-R175 IonicContact OD2-NH2 3.52Å; D173-R175 PolarHBondContact OD2-NH2 3.23Å; D173-I176 HydrophobicContact CB-CD1 4.11Å; D173-I176 HydrophobicContact CB-CG1 3.79Å; D173-I176 WeakPolarHBondContact O-CG1 3.43Å; D173-I176 PolarHBondContact O-N 3.12Å; D173-Y177 WeakPolarHBondContact O-CB 3.48Å; D173-Y177 PolarHBondContact O-N 2.99Å; D173-R237 VanDerWaalsContact CA-NH2 3.32Å; D173-R237 IonicContact OD1-CZ 3.19Å; D173-R237 IonicContact OD1-NH1 2.79Å; D173-R237 IonicContact OD1-NH2 2.76Å; D173-R237 PolarHBondContact OD1-NH2 3.15Å
174	P	98.3	Very high	96.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.8	-179.2	-27.2	36.9	0	0	0	114.6	I157 V158 C172 I176 L187 R237 F240	I157-P174 HydrophobicContact CD1-CG 4.34Å; I157-P174 HydrophobicContact CG1-CG 4.36Å; V158-P174 HydrophobicContact CG2-CB 4.07Å; C172-P174 WeakPolarHBondContact O-CD 3.3Å; P174-I176 PolarHBondContact O-N 3.44Å; P174-L187 HydrophobicContact CB-CD1 4.12Å; P174-L187 PolarHBondContact O-N 2.77Å; P174-R237 HydrophobicContact CG-CB 4.33Å; P174-R237 HydrophobicContact CG-CG 4.03Å; P174-F240 HydrophobicContact CB-CD1 3.77Å; P174-F240 HydrophobicContact CB-CE1 3.9Å; P174-F240 HydrophobicContact CG-CD1 4.04Å
175	R	97.8	Very high	96.8	Very high	113 Å²	113	61.6 Å²	61.6	43%	0.426	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.8	178.7	-63.5	173.1	-60	178.3	7.9	113.7	V158 D173 P186 L187	V158-R175 HydrophobicContact CG1-CG 3.59Å; D173-R175 PolarHBondContact O-N 3.04Å; D173-R175 IonicContact OD1-CZ 3.3Å; D173-R175 PolarHBondContact OD1-N 3.43Å; D173-R175 IonicContact OD1-NE 2.99Å; D173-R175 PolarHBondContact OD1-NE 2.85Å; D173-R175 IonicContact OD1-NH2 2.92Å; D173-R175 IonicContact OD2-CZ 2.7Å; D173-R175 VanDerWaalsContact OD2-CZ 3.31Å; D173-R175 IonicContact OD2-NE 2.74Å; D173-R175 PolarHBondContact OD2-NE 3.23Å; D173-R175 VanDerWaalsContact OD2-NE 3.07Å; D173-R175 IonicContact OD2-NH2 3.52Å; D173-R175 PolarHBondContact OD2-NH2 3.23Å; R175-P186 VanDerWaalsContact O-CB 3.26Å; R175-P186 WeakPolarHBondContact O-CB 3.31Å; R175-L187 WeakPolarHBondContact CA-O 3.5Å
176	I	97.5	Very high	97	Very high	107 Å²	107	60 Å²	60	55%	0.549	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-17.3	-177.3	59.3	173.2	0	0	0	112.7	D173 P174	D173-I176 HydrophobicContact CB-CD1 4.11Å; D173-I176 HydrophobicContact CB-CG1 3.79Å; D173-I176 WeakPolarHBondContact O-CG1 3.43Å; D173-I176 PolarHBondContact O-N 3.12Å; P174-I176 PolarHBondContact O-N 3.44Å
177	Y	98.3	Very high	97.2	Very high	33 Å²	33	56 Å²	56	13%	0.129	30%	0.304	C	S	.	.			trans	-69.2	133.2	175.3	175.8	-102.5	0	0	0	111.7	D173 P186 F240 C241 L243 D244	D173-Y177 WeakPolarHBondContact O-CB 3.48Å; D173-Y177 PolarHBondContact O-N 2.99Å; Y177-P186 VanDerWaalsContact O-CA 3.25Å; Y177-P186 WeakPolarHBondContact O-CA 3.46Å; Y177-F240 HydrophobicContact CD1-CD1 4.11Å; Y177-F240 AromaticContact CD1-CE1 3.75Å; Y177-F240 HydrophobicContact CD1-CE1 3.75Å; Y177-F240 HydrophobicContact CD1-CZ 4.11Å; Y177-F240 HydrophobicContact CE1-CE1 4.46Å; Y177-F240 HydrophobicContact CE1-CZ 4.49Å; Y177-F240 VanDerWaalsContact CE1-O 3.24Å; Y177-F240 WeakPolarHBondContact CE1-O 3.24Å; Y177-C241 HydrophobicContact CD1-CB 4.27Å; Y177-C241 HydrophobicContact CD2-CB 4.19Å; Y177-C241 WeakPolarHBondContact CE2-O 3.47Å; Y177-C241 HydrophobicContact CG-CB 3.98Å; Y177-C241 VanDerWaalsContact CZ-O 3.24Å; Y177-L243 HydrophobicContact CE1-CB 4.33Å; Y177-D244 PolarHBondContact OH-N 2.79Å; Y177-D244 PolarHBondContact OH-OD2 3.31Å
178	Q	98	Very high	97.3	Very high	120 Å²	120	59.8 Å²	59.8	56%	0.561	33%	0.327	S	S	*	.			trans	-132.6	124	171.5	-178.3	166	39.5	0	0	109.2	G185	Q178-G185 WeakPolarHBondContact CG-O 3.43Å; Q178-G185 PolarHBondContact NE2-O 3.4Å
179	S	98.2	Very high	97.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.014	32%	0.323	C	S	.	.			trans	-73.7	127.1	177	164.9	0	0	0	0	110.6	K181 T182 G183 R184 D244	S179-K181 PolarHBondContact OG-N 3.21Å; S179-T182 WeakPolarHBondContact CB-OG1 3.49Å; S179-T182 PolarHBondContact OG-N 2.84Å; S179-T182 PolarHBondContact OG-OG1 2.86Å; S179-G183 VanDerWaalsContact O-CA 3.23Å; S179-G183 WeakPolarHBondContact O-CA 3.49Å; S179-G183 PolarHBondContact O-N 2.76Å; S179-R184 PolarHBondContact N-O 3.36Å; S179-D244 WeakPolarHBondContact CA-OD2 3.44Å; S179-D244 WeakPolarHBondContact CB-OD1 3.29Å; S179-D244 PolarHBondContact OG-OD1 2.8Å
180	V	98.1	Very high	97.2	Very high	134 Å²	134	58.5 Å²	58.5	81%	0.812	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-35.2	173.9	-179.9	0	0	0	0	110.8	D244	V180-D244 PolarHBondContact N-OD1 3.11Å; V180-D244 PolarHBondContact N-OD2 3.43Å
181	K	98	Very high	97.1	Very high	118 Å²	118	62.9 Å²	62.9	51%	0.513	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.2	-177.7	-71.4	-173.5	173.9	171.5	0	113.3	S179 D244 H247	S179-K181 PolarHBondContact OG-N 3.21Å; K181-D244 WeakPolarHBondContact CB-OD1 3.29Å; K181-D244 WeakPolarHBondContact CD-O 3.36Å; K181-D244 WeakPolarHBondContact CE-O 3.28Å; K181-D244 HydrophobicContact CG-CB 4.47Å; K181-D244 PolarHBondContact N-OD1 3.47Å; K181-D244 PolarHBondContact NZ-O 3.47Å; K181-H247 HydrophobicContact CD-CB 4.13Å; K181-H247 PolarHBondContact NZ-O 2.9Å
182	T	97.3	Very high	97.1	Very high	39 Å²	39	59.4 Å²	59.4	24%	0.239	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-13.1	-170.8	67.5	0	0	0	0	113.7	S179 R184 L243 H247	S179-T182 WeakPolarHBondContact CB-OG1 3.49Å; S179-T182 PolarHBondContact OG-N 2.84Å; S179-T182 PolarHBondContact OG-OG1 2.86Å; T182-R184 PolarHBondContact O-N 2.79Å; T182-R184 WeakPolarHBondContact OG1-CB 3.32Å; T182-R184 WeakPolarHBondContact OG1-CG 3.28Å; T182-R184 PolarHBondContact OG1-N 3.35Å; T182-L243 HydrophobicContact CG2-CD1 4.43Å; T182-L243 HydrophobicContact CG2-CD2 3.95Å; T182-L243 HydrophobicContact CG2-CG 4.18Å; T182-L243 VanDerWaalsContact OG1-CD2 3.25Å; T182-L243 WeakPolarHBondContact OG1-CD2 3.4Å; T182-H247 VanDerWaalsContact CG2-CD2 3.48Å; T182-H247 WeakPolarHBondContact CG2-CD2 3.23Å
183	G	97.1	Very high	97	Very high	48 Å²	48	60.8 Å²	60.8	50%	0.495	33%	0.328	S	S	.	.			trans	70.9	1.7	-173.2	0	0	0	0	0	114.5	S179	S179-G183 VanDerWaalsContact O-CA 3.23Å; S179-G183 WeakPolarHBondContact O-CA 3.49Å; S179-G183 PolarHBondContact O-N 2.76Å
184	R	97.4	Very high	96.8	Very high	30 Å²	30	64.4 Å²	64.4	11%	0.113	34%	0.344	C	S	.	.			trans	-73	145.1	-178.7	-60.4	-176.1	-168.5	145.5	8	111.5	P11 E16 S179 T182 L198 F240 L243	P11-R184 WeakPolarHBondContact O-CD 3.32Å; E16-R184 VanDerWaalsContact CD-NH1 3.25Å; E16-R184 IonicContact OE1-CZ 3.75Å; E16-R184 IonicContact OE1-NH1 3.18Å; E16-R184 PolarHBondContact OE1-NH1 3.16Å; E16-R184 VanDerWaalsContact OE1-NH1 3.14Å; E16-R184 IonicContact OE1-NH2 3.81Å; E16-R184 PolarHBondContact OE1-NH2 2.77Å; E16-R184 IonicContact OE2-CZ 2.83Å; E16-R184 IonicContact OE2-NH1 2.81Å; E16-R184 PolarHBondContact OE2-NH1 3.19Å; E16-R184 IonicContact OE2-NH2 3.93Å; E16-R184 PolarHBondContact OE2-NH2 2.92Å; S179-R184 PolarHBondContact N-O 3.36Å; T182-R184 PolarHBondContact O-N 2.79Å; T182-R184 WeakPolarHBondContact OG1-CB 3.32Å; T182-R184 WeakPolarHBondContact OG1-CG 3.28Å; T182-R184 PolarHBondContact OG1-N 3.35Å; R184-L198 HydrophobicContact CB-CD2 4.15Å; R184-L198 HydrophobicContact CG-CD2 3.67Å; R184-F240 HydrophobicContact CB-CE2 4.3Å; R184-L243 HydrophobicContact CB-CD2 4.35Å
185	G	96.9	Very high	96.3	Very high	13 Å²	13	72 Å²	72	13%	0.134	39%	0.385	C	S	.	.			trans	80.6	171.5	-175	0	0	0	0	0	113.1	Q178	Q178-G185 WeakPolarHBondContact CG-O 3.43Å; Q178-G185 PolarHBondContact NE2-O 3.4Å
186	P	97.4	Very high	96	Very high	59 Å²	59	69.1 Å²	69.1	38%	0.383	38%	0.38	S	S	.	.			cis	-64.5	146.4	-6.3	28.2	-34.5	0	0	0	112.4	R175 Y177 V188	R175-P186 VanDerWaalsContact O-CB 3.26Å; R175-P186 WeakPolarHBondContact O-CB 3.31Å; Y177-P186 VanDerWaalsContact O-CA 3.25Å; Y177-P186 WeakPolarHBondContact O-CA 3.46Å; P186-V188 HydrophobicContact CB-CG1 4.46Å
187	L	97.7	Very high	95.8	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.037	40%	0.399	C	S	.	.			trans	-90.2	125.3	175.5	-52.7	178.2	0	0	0	108.7	P11 I157 V158 P174 R175 W192 L198 F240	P11-L187 HydrophobicContact CB-CD2 4.28Å; P11-L187 HydrophobicContact CG-CD1 3.8Å; P11-L187 HydrophobicContact CG-CD2 4.22Å; I157-L187 HydrophobicContact CD1-CD1 4.19Å; V158-L187 HydrophobicContact CG1-CB 4.41Å; V158-L187 VanDerWaalsContact CG1-O 3.31Å; V158-L187 WeakPolarHBondContact CG1-O 3.41Å; V158-L187 HydrophobicContact CG2-CB 3.47Å; V158-L187 VanDerWaalsContact CG2-CB 3.47Å; V158-L187 HydrophobicContact CG2-CD1 3.71Å; V158-L187 HydrophobicContact CG2-CG 4.26Å; P174-L187 HydrophobicContact CB-CD1 4.12Å; P174-L187 PolarHBondContact O-N 2.77Å; R175-L187 WeakPolarHBondContact CA-O 3.5Å; L187-W192 HydrophobicContact CB-CD2 4.47Å; L187-W192 HydrophobicContact CD1-CD2 4.3Å; L187-W192 HydrophobicContact CD1-CE3 4.23Å; L187-W192 HydrophobicContact CD1-CH2 4.22Å; L187-W192 HydrophobicContact CD1-CZ2 4.24Å; L187-W192 HydrophobicContact CD1-CZ3 4.21Å; L187-W192 HydrophobicContact CD2-CE3 4.2Å; L187-W192 HydrophobicContact CD2-CZ3 4.47Å; L187-L198 HydrophobicContact CD2-CD1 3.77Å; L187-F240 HydrophobicContact CD1-CD1 4.07Å; L187-F240 HydrophobicContact CD1-CE1 3.62Å; L187-F240 HydrophobicContact CD1-CE2 4.44Å; L187-F240 HydrophobicContact CD1-CZ 3.83Å; L187-F240 HydrophobicContact CD2-CZ 4.07Å; L187-F240 HydrophobicContact CG-CE1 3.75Å; L187-F240 HydrophobicContact CG-CZ 3.77Å
188	V	95.2	Very high	95.7	Very high	102 Å²	102	73 Å²	73	62%	0.618	40%	0.404	S	S	*	.			trans	-138	148.2	-172.9	-65.2	0	0	0	0	112	P186	P186-V188 HydrophobicContact CB-CG1 4.46Å
189	G	95.4	Very high	95.6	Very high	33 Å²	33	68.6 Å²	68.6	34%	0.34	39%	0.386	S	S	.	.	S	Bend	trans	85	162.7	175.7	0	0	0	0	0	114.3	N159	N159-G189 PolarHBondContact ND2-O 3.19Å
190	P	95.2	Very high	95.6	Very high	114 Å²	114	69.3 Å²	69.3	74%	0.74	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	147	175.9	30.5	-35.2	0	0	0	110.6	W192	P190-W192 PolarHBondContact O-N 2.83Å
191	R	94.9	Very high	95.6	Very high	145 Å²	145	63 Å²	63	55%	0.547	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	41.6	178.5	-53	-179.1	76.4	176.4	-1.9	112.1	W193 E194	R191-W193 HydrophobicContact CB-CH2 4.38Å; R191-W193 HydrophobicContact CB-CZ2 3.94Å; R191-W193 HydrophobicContact CG-CH2 4.29Å; R191-W193 HydrophobicContact CG-CZ2 3.88Å; R191-W193 PolarHBondContact O-N 3.1Å; R191-E194 IonicContact CZ-OE1 2.88Å; R191-E194 IonicContact CZ-OE2 2.86Å; R191-E194 IonicContact NE-OE1 3.63Å; R191-E194 PolarHBondContact NE-OE1 2.93Å; R191-E194 IonicContact NE-OE2 3.9Å; R191-E194 PolarHBondContact NE-OE2 2.67Å; R191-E194 IonicContact NH1-OE2 2.76Å; R191-E194 IonicContact NH2-OE1 2.62Å; R191-E194 PolarHBondContact NH2-OE1 2.6Å; R191-E194 IonicContact NH2-OE2 2.7Å; R191-E194 PolarHBondContact NH2-OE2 2.92Å; R191-E194 PolarHBondContact O-N 3.17Å
192	W	95.8	Very high	95.6	Very high	22 Å²	22	57.3 Å²	57.3	8%	0.083	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-16.5	-175.5	55.7	-94.5	0	0	0	114	I9 P11 D156 I157 V158 L187 P190 I200	I9-W192 HydrophobicContact CG2-CH2 4.05Å; I9-W192 HydrophobicContact CG2-CZ2 4.26Å; I9-W192 WeakPolarHBondContact O-CZ2 3.43Å; P11-W192 HydrophobicContact CB-CH2 4.23Å; P11-W192 HydrophobicContact CB-CZ3 3.83Å; P11-W192 HydrophobicContact CG-CH2 4.28Å; P11-W192 HydrophobicContact CG-CZ3 4.28Å; D156-W192 PolarHBondContact OD1-NE1 3.02Å; I157-W192 HydrophobicContact CD1-CZ2 4.39Å; I157-W192 HydrophobicContact CG1-CZ2 4.04Å; V158-W192 VanDerWaalsContact CG2-CD1 3.44Å; V158-W192 HydrophobicContact CG2-CD2 4.15Å; V158-W192 HydrophobicContact CG2-CG 4.05Å; V158-W192 HydrophobicContact CG2-CZ2 4.36Å; L187-W192 HydrophobicContact CB-CD2 4.47Å; L187-W192 HydrophobicContact CD1-CD2 4.3Å; L187-W192 HydrophobicContact CD1-CE3 4.23Å; L187-W192 HydrophobicContact CD1-CH2 4.22Å; L187-W192 HydrophobicContact CD1-CZ2 4.24Å; L187-W192 HydrophobicContact CD1-CZ3 4.21Å; L187-W192 HydrophobicContact CD2-CE3 4.2Å; L187-W192 HydrophobicContact CD2-CZ3 4.47Å; P190-W192 PolarHBondContact O-N 2.83Å; W192-I200 HydrophobicContact CZ3-CD1 3.8Å
193	W	95.8	Very high	95.7	Very high	35 Å²	35	55.5 Å²	55.5	13%	0.133	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.9	177.5	58	81.1	0	0	0	115.1	I9 D156 R191 I200	I9-W193 HydrophobicContact CB-CD2 4.43Å; I9-W193 HydrophobicContact CB-CE3 4.24Å; I9-W193 HydrophobicContact CD1-CD2 3.61Å; I9-W193 VanDerWaalsContact CD1-CE2 3.45Å; I9-W193 HydrophobicContact CD1-CE3 3.86Å; I9-W193 HydrophobicContact CD1-CG 4.25Å; I9-W193 HydrophobicContact CD1-CH2 3.8Å; I9-W193 HydrophobicContact CD1-CZ2 3.55Å; I9-W193 HydrophobicContact CD1-CZ3 3.95Å; I9-W193 HydrophobicContact CG2-CB 3.71Å; I9-W193 HydrophobicContact CG2-CD2 3.87Å; I9-W193 HydrophobicContact CG2-CE3 3.97Å; I9-W193 HydrophobicContact CG2-CG 3.77Å; D156-W193 HydrophobicContact CB-CH2 4.31Å; D156-W193 HydrophobicContact CB-CZ3 4.05Å; D156-W193 WeakPolarHBondContact OD2-CZ3 3.15Å; R191-W193 HydrophobicContact CB-CH2 4.38Å; R191-W193 HydrophobicContact CB-CZ2 3.94Å; R191-W193 HydrophobicContact CG-CH2 4.29Å; R191-W193 HydrophobicContact CG-CZ2 3.88Å; R191-W193 PolarHBondContact O-N 3.1Å; W193-I200 HydrophobicContact CB-CD1 3.91Å; W193-I200 HydrophobicContact CB-CG1 4.29Å; W193-I200 HydrophobicContact CB-CG2 4.3Å
194	E	93.3	Very high	95.8	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.364	29%	0.291	S	S	.	.	S	Bend	trans	-85.4	-21.1	-170.1	-104.3	153.1	-127.8	0	0	116	R191	R191-E194 IonicContact CZ-OE1 2.88Å; R191-E194 IonicContact CZ-OE2 2.86Å; R191-E194 IonicContact NE-OE1 3.63Å; R191-E194 PolarHBondContact NE-OE1 2.93Å; R191-E194 IonicContact NE-OE2 3.9Å; R191-E194 PolarHBondContact NE-OE2 2.67Å; R191-E194 IonicContact NH1-OE2 2.76Å; R191-E194 IonicContact NH2-OE1 2.62Å; R191-E194 PolarHBondContact NH2-OE1 2.6Å; R191-E194 IonicContact NH2-OE2 2.7Å; R191-E194 PolarHBondContact NH2-OE2 2.92Å; R191-E194 PolarHBondContact O-N 3.17Å
195	N	87.5	Confident	95.8	Very high	161 Å²	161	52.8 Å²	52.8	86%	0.861	29%	0.291	S	S	*	.	S	Bend	trans	-137.9	55.4	-176.8	-61.9	-70	0	0	0	110
196	T	92	Very high	95.9	Very high	51 Å²	51	52.2 Å²	52.2	31%	0.313	28%	0.284	S	S	.	.			trans	-135.6	146.9	-176.4	-170.4	0	0	0	0	111	L198 I200	T196-L198 HydrophobicContact CG2-CB 3.96Å; T196-L198 HydrophobicContact CG2-CG 4.44Å; T196-L198 WeakPolarHBondContact OG1-CD1 3.46Å; T196-L198 WeakPolarHBondContact OG1-CG 3.05Å; T196-L198 PolarHBondContact OG1-N 2.9Å; T196-I200 HydrophobicContact CG2-CD1 3.82Å; T196-I200 HydrophobicContact CG2-CG1 4.13Å
197	D	92.8	Very high	96	Very high	178 Å²	178	49.4 Å²	49.4	95%	0.952	27%	0.266	S	S	*	.	S	Bend	trans	-85.7	4	172.4	-61.1	-39.6	0	0	0	112.2
198	L	95.7	Very high	96	Very high	43 Å²	43	50 Å²	50	23%	0.225	27%	0.27	C	S	.	.	S	Bend	trans	-67.2	146.8	176	-64.9	172.7	0	0	0	110.5	P11 R184 L187 T196 I200	P11-L198 HydrophobicContact CB-CB 4.33Å; P11-L198 HydrophobicContact CB-CD1 3.96Å; R184-L198 HydrophobicContact CB-CD2 4.15Å; R184-L198 HydrophobicContact CG-CD2 3.67Å; L187-L198 HydrophobicContact CD2-CD1 3.77Å; T196-L198 HydrophobicContact CG2-CB 3.96Å; T196-L198 HydrophobicContact CG2-CG 4.44Å; T196-L198 WeakPolarHBondContact OG1-CD1 3.46Å; T196-L198 WeakPolarHBondContact OG1-CG 3.05Å; T196-L198 PolarHBondContact OG1-N 2.9Å; L198-I200 HydrophobicContact CB-CD1 4.35Å; L198-I200 PolarHBondContact O-N 2.9Å
199	P	96.5	Very high	95.9	Very high	29 Å²	29	45.2 Å²	45.2	19%	0.188	24%	0.241	C	C	.	.			trans	-62.1	129.2	166.6	27.9	-33	0	0	0	108.5	P11 L12 T13	P11-P199 CarbonylContact C-O 3.54Å; P11-P199 WeakPolarHBondContact CA-O 3.22Å; L12-P199 PolarHBondContact N-O 2.92Å; T13-P199 HydrophobicContact CG2-CB 3.65Å; T13-P199 HydrophobicContact CG2-CG 4.12Å
200	I	97.7	Very high	95.7	Very high	17 Å²	17	47 Å²	47	9%	0.087	24%	0.24	C	C	.	.			trans	-113.6	127.7	178.4	-60.8	-56.9	0	0	0	108.9	I9 L10 Q131 D132 I134 W192 W193 T196 L198	I9-I200 HydrophobicContact CG2-CG2 3.94Å; L10-I200 WeakPolarHBondContact O-CA 3.47Å; Q131-I200 PolarHBondContact NE2-O 2.94Å; D132-I200 WeakPolarHBondContact CA-O 3.39Å; D132-I200 PolarHBondContact N-O 3.18Å; I134-I200 HydrophobicContact CG2-CG2 4.16Å; W192-I200 HydrophobicContact CZ3-CD1 3.8Å; W193-I200 HydrophobicContact CB-CD1 3.91Å; W193-I200 HydrophobicContact CB-CG1 4.29Å; W193-I200 HydrophobicContact CB-CG2 4.3Å; T196-I200 HydrophobicContact CG2-CD1 3.82Å; T196-I200 HydrophobicContact CG2-CG1 4.13Å; L198-I200 HydrophobicContact CB-CD1 4.35Å; L198-I200 PolarHBondContact O-N 2.9Å
201	M	98.3	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	162	167.2	69.6	161.4	-76.8	0	0	111	L10 L12 V14 Y17 H129 V130 A203	L10-M201 HydrophobicContact CB-CG 3.86Å; L10-M201 HydrophobicContact CD1-CE 4.42Å; L10-M201 HydrophobicContact CD1-SD 4.42Å; L10-M201 PolarHBondContact N-O 3.4Å; L10-M201 PolarHBondContact O-N 3Å; L12-M201 HydrophobicContact CB-CG 4.3Å; L12-M201 HydrophobicContact CB-SD 4.3Å; L12-M201 WeakPolarHBondContact O-CB 3.48Å; L12-M201 WeakPolarHBondContact O-CG 3.35Å; L12-M201 PolarHBondContact O-N 2.9Å; V14-M201 HydrophobicContact CG2-CB 4.07Å; Y17-M201 WeakPolarHBondContact CB-SD 3.21Å; Y17-M201 HydrophobicContact CD1-CE 3.76Å; Y17-M201 HydrophobicContact CD1-SD 4.13Å; Y17-M201 HydrophobicContact CD2-CE 4.37Å; Y17-M201 HydrophobicContact CD2-SD 4.08Å; Y17-M201 HydrophobicContact CE1-CE 4.37Å; Y17-M201 HydrophobicContact CG-CE 3.76Å; Y17-M201 HydrophobicContact CG-SD 3.54Å; Y17-M201 VanDerWaalsContact CG-SD 3.54Å; H129-M201 HydrophobicContact CB-CE 3.82Å; V130-M201 CarbonylContact O-C 2.96Å; V130-M201 VanDerWaalsContact O-CA 3.29Å; V130-M201 WeakPolarHBondContact O-CA 3.44Å; V130-M201 WeakPolarHBondContact O-CB 3.49Å; M201-A203 HydrophobicContact CE-CB 4.27Å
202	C	98.7	Very high	95.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.5	169.6	-165.3	0	0	0	0	110.3	I8 H129 V130 K133 I134 Y204	I8-C202 CarbonylContact O-C 3.59Å; I8-C202 VanDerWaalsContact O-CA 3.31Å; I8-C202 WeakPolarHBondContact O-CA 3.02Å; H129-C202 WeakPolarHBondContact CA-O 3.46Å; V130-C202 PolarHBondContact N-O 2.98Å; V130-C202 PolarHBondContact O-N 3.18Å; K133-C202 WeakPolarHBondContact O-CB 3.34Å; I134-C202 HydrophobicContact CB-CB 4.3Å; I134-C202 HydrophobicContact CG2-CB 4.01Å; C202-Y204 HydrophobicContact CB-CD2 4.12Å; C202-Y204 HydrophobicContact CB-CE2 3.55Å
203	A	98.7	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.5	164.3	0	0	0	0	0	108.2	I8 H129 M201	I8-A203 HydrophobicContact CB-CB 4.28Å; I8-A203 HydrophobicContact CD1-CB 4.36Å; I8-A203 WeakPolarHBondContact CD1-O 3.47Å; I8-A203 PolarHBondContact N-O 3.06Å; I8-A203 PolarHBondContact O-N 3.13Å; H129-A203 VanDerWaalsContact CD2-CB 3.43Å; H129-A203 WeakPolarHBondContact CD2-CB 3.29Å; M201-A203 HydrophobicContact CE-CB 4.27Å
204	Y	98.8	Very high	94.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.9	170.6	-60	-106.8	0	0	0	107.1	F6 R7 S127 M128 V130 K133 I134 D135 I136 I139 C202	F6-Y204 CarbonylContact O-C 3.56Å; F6-Y204 WeakPolarHBondContact O-CA 3.23Å; R7-Y204 HydrophobicContact CG-CD1 3.77Å; R7-Y204 HydrophobicContact CG-CE1 4.04Å; S127-Y204 CarbonylContact C-O 3.58Å; S127-Y204 WeakPolarHBondContact CA-O 2.99Å; S127-Y204 WeakPolarHBondContact CB-O 3.44Å; M128-Y204 PolarHBondContact N-O 2.84Å; M128-Y204 PolarHBondContact O-N 2.83Å; V130-Y204 HydrophobicContact CB-CE2 4.19Å; V130-Y204 HydrophobicContact CG2-CE2 4.25Å; K133-Y204 PolarHBondContact O-OH 3.28Å; I134-Y204 WeakPolarHBondContact CA-OH 3.25Å; I134-Y204 PolarHBondContact O-OH 2.88Å; D135-Y204 PolarHBondContact N-OH 2.72Å; D135-Y204 VanDerWaalsContact N-OH 3.16Å; I136-Y204 HydrophobicContact CB-CE1 4.23Å; I136-Y204 WeakPolarHBondContact CG1-OH 3.03Å; I136-Y204 PolarHBondContact N-OH 3.22Å; I139-Y204 HydrophobicContact CD1-CD1 4.43Å; I139-Y204 HydrophobicContact CD1-CD2 3.7Å; I139-Y204 HydrophobicContact CD1-CE2 3.88Å; I139-Y204 HydrophobicContact CD1-CG 4.01Å; I139-Y204 HydrophobicContact CG2-CD1 3.68Å; I139-Y204 HydrophobicContact CG2-CE1 4.39Å; I139-Y204 HydrophobicContact CG2-CG 3.78Å; C202-Y204 HydrophobicContact CB-CD2 4.12Å; C202-Y204 HydrophobicContact CB-CE2 3.55Å
205	K	98.7	Very high	93.9	Very high	22 Å²	22	51 Å²	51	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	103.9	179.1	-67.3	-174.4	177.8	-86.4	0	109.7	E5 F6 I8 E126 F232	E5-K205 WeakPolarHBondContact CA-O 3.06Å; F6-K205 HydrophobicContact CB-CB 4.42Å; F6-K205 PolarHBondContact N-O 3.06Å; F6-K205 PolarHBondContact O-N 3.14Å; I8-K205 HydrophobicContact CD1-CB 4.22Å; I8-K205 HydrophobicContact CD1-CD 3.79Å; I8-K205 HydrophobicContact CD1-CG 3.92Å; E126-K205 CarbonylContact O-C 3.58Å; E126-K205 WeakPolarHBondContact O-CA 3.15Å; K205-F232 HydrophobicContact CB-CD2 4.4Å; K205-F232 HydrophobicContact CB-CE2 3.9Å; K205-F232 HydrophobicContact CB-CZ 4.16Å; K205-F232 HydrophobicContact CD-CD1 3.6Å; K205-F232 HydrophobicContact CD-CD2 3.95Å; K205-F232 HydrophobicContact CD-CE1 3.53Å; K205-F232 HydrophobicContact CD-CE2 3.87Å; K205-F232 HydrophobicContact CD-CG 3.83Å; K205-F232 HydrophobicContact CD-CZ 3.68Å
206	L	98.7	Very high	93.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.8	174.1	-176.4	74.2	0	0	0	110.5	I3 K4 E5 I125 E126 H140 L142 R150	I3-L206 HydrophobicContact CG2-CD1 3.57Å; I3-L206 HydrophobicContact CG2-CG 4.41Å; K4-L206 CarbonylContact O-C 3.57Å; K4-L206 WeakPolarHBondContact O-CA 3.45Å; E5-L206 HydrophobicContact CB-CD1 4.07Å; I125-L206 CarbonylContact C-O 3.58Å; I125-L206 WeakPolarHBondContact CA-O 3.22Å; E126-L206 HydrophobicContact CB-CB 4.42Å; E126-L206 PolarHBondContact N-O 3.39Å; E126-L206 PolarHBondContact O-N 3.34Å; H140-L206 HydrophobicContact CB-CD2 3.85Å; L142-L206 HydrophobicContact CD1-CD1 4.05Å; L142-L206 HydrophobicContact CD1-CD2 4.19Å; L142-L206 HydrophobicContact CD2-CD2 3.8Å; L142-L206 HydrophobicContact CG-CD2 4.17Å; R150-L206 HydrophobicContact CG-CD1 4.23Å
207	V	98.6	Very high	93.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.9	177.9	-177.6	0	0	0	0	109.6	K4 F6 L123 M124 I125 Q225 E228 F232	K4-V207 PolarHBondContact N-O 3.47Å; K4-V207 PolarHBondContact O-N 3.08Å; F6-V207 HydrophobicContact CD2-CB 4.48Å; F6-V207 HydrophobicContact CD2-CG2 3.77Å; F6-V207 HydrophobicContact CE2-CB 4.06Å; F6-V207 HydrophobicContact CE2-CG2 3.68Å; L123-V207 HydrophobicContact CD1-CG1 3.6Å; M124-V207 WeakPolarHBondContact O-CA 2.82Å; I125-V207 HydrophobicContact CG1-CG2 4.33Å; I125-V207 HydrophobicContact CG2-CG2 4.38Å; V207-Q225 PolarHBondContact O-NE2 2.76Å; V207-E228 HydrophobicContact CG1-CB 4.45Å; V207-E228 HydrophobicContact CG1-CG 3.99Å; V207-E228 HydrophobicContact CG2-CB 4.3Å; V207-E228 HydrophobicContact CG2-CG 4.42Å; V207-F232 HydrophobicContact CG2-CE2 3.64Å; V207-F232 HydrophobicContact CG2-CZ 3.86Å
208	T	97.2	Very high	93.7	Very high	20 Å²	20	39.7 Å²	39.7	12%	0.123	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120	175.2	-58.5	0	0	0	0	109.2	M1 I3 M124	M1-T208 HydrophobicContact CE-CG2 3.95Å; M1-T208 HydrophobicContact CG-CG2 3.77Å; M1-T208 HydrophobicContact SD-CG2 3.38Å; M1-T208 WeakPolarHBondContact SD-CG2 3.45Å; I3-T208 HydrophobicContact CG1-CG2 4.49Å; M124-T208 PolarHBondContact N-O 3.37Å; M124-T208 PolarHBondContact O-N 2.86Å
209	C	93.9	Very high	93.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.2	179.6	-175.9	0	0	0	0	111	M1 I2 L123 E221 I224	M1-C209 WeakPolarHBondContact CA-O 3.5Å; M1-C209 WeakPolarHBondContact CG-O 3.5Å; I2-C209 PolarHBondContact O-N 3.33Å; L123-C209 HydrophobicContact CD1-CB 4.11Å; C209-E221 HydrophobicContact CB-CG 4.35Å; C209-I224 HydrophobicContact CB-CG2 4.46Å; C209-I224 VanDerWaalsContact SG-CD1 3.53Å
210	E	91.3	Very high	93.1	Very high	71 Å²	71	43.3 Å²	43.3	33%	0.332	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.4	173.2	-165.7	179.4	-150	0	0	109.7	F121 T122 K212	F121-E210 WeakPolarHBondContact CA-O 3.48Å; T122-E210 PolarHBondContact N-O 3.41Å; T122-E210 PolarHBondContact O-N 3.44Å; E210-K212 HydrophobicContact CG-CG 4.21Å; E210-K212 WeakPolarHBondContact OE1-CE 3.36Å; E210-K212 IonicContact OE1-NZ 3.13Å; E210-K212 PolarHBondContact OE1-NZ 3.37Å; E210-K212 VanDerWaalsContact OE1-NZ 3.13Å; E210-K212 VanDerWaalsContact OE2-CE 3.24Å; E210-K212 WeakPolarHBondContact OE2-CE 3.35Å; E210-K212 IonicContact OE2-NZ 2.76Å; E210-K212 PolarHBondContact OE2-NZ 2.92Å
211	F	90.4	Very high	92.8	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	111.7	178.1	-171.5	-86.3	0	0	0	110.5	M117 N120 F121 W213 I216 Q217 V220 E221	M117-F211 HydrophobicContact SD-CE2 3.86Å; N120-F211 CarbonylContact O-C 3.6Å; N120-F211 WeakPolarHBondContact O-CA 3.5Å; F121-F211 HydrophobicContact CB-CD2 4.33Å; F121-F211 AromaticContact CD2-CD2 3.78Å; F121-F211 HydrophobicContact CD2-CD2 3.78Å; F121-F211 HydrophobicContact CG-CD2 4.38Å; F211-W213 HydrophobicContact CD1-CB 4.32Å; F211-W213 HydrophobicContact CE1-CB 3.69Å; F211-W213 AromaticContact CE1-CD2 3.97Å; F211-W213 HydrophobicContact CE1-CD2 3.97Å; F211-W213 AromaticContact CE1-CE3 3.95Å; F211-W213 HydrophobicContact CE1-CE3 3.95Å; F211-W213 AromaticContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CZ-CB 4.41Å; F211-W213 AromaticContact CZ-CD2 3.78Å; F211-W213 HydrophobicContact CZ-CD2 3.78Å; F211-W213 AromaticContact CZ-CE3 3.59Å; F211-W213 HydrophobicContact CZ-CE3 3.59Å; F211-W213 HydrophobicContact CZ-CG 4.16Å; F211-W213 HydrophobicContact CZ-CZ3 4.04Å; F211-W213 PolarHBondContact O-N 3.12Å; F211-I216 HydrophobicContact CE1-CD1 3.7Å; F211-I216 HydrophobicContact CE1-CG1 3.73Å; F211-I216 HydrophobicContact CZ-CD1 4.07Å; F211-Q217 VanDerWaalsContact O-CB 3.23Å; F211-Q217 WeakPolarHBondContact O-CB 3.2Å; F211-Q217 WeakPolarHBondContact O-CG 3.27Å; F211-Q217 PolarHBondContact O-OE1 3.37Å; F211-V220 HydrophobicContact CB-CG1 4.49Å; F211-V220 HydrophobicContact CD1-CB 4.08Å; F211-V220 HydrophobicContact CD1-CG1 4.3Å; F211-V220 HydrophobicContact CD1-CG2 4.32Å; F211-V220 HydrophobicContact CD2-CB 4.34Å; F211-V220 HydrophobicContact CD2-CG1 3.66Å; F211-V220 HydrophobicContact CE1-CB 4.25Å; F211-V220 HydrophobicContact CE1-CG1 4.44Å; F211-V220 HydrophobicContact CE1-CG2 4Å; F211-V220 HydrophobicContact CE2-CG1 3.87Å; F211-V220 HydrophobicContact CG-CB 4.11Å; F211-V220 HydrophobicContact CG-CG1 3.89Å; F211-V220 HydrophobicContact CZ-CB 4.49Å; F211-V220 HydrophobicContact CZ-CG1 4.26Å; F211-V220 HydrophobicContact CZ-CG2 4.15Å; F211-E221 HydrophobicContact CB-CG 4.04Å; F211-E221 PolarHBondContact N-OE1 2.7Å
212	K	89.2	Confident	92.6	Very high	91 Å²	91	46.6 Å²	46.6	40%	0.396	23%	0.232	S	C	.	.			trans	-102.7	43.4	-165.5	-61.2	178.4	177.7	141	0	114.5	N120 E210	N120-K212 HydrophobicContact CB-CB 4.2Å; N120-K212 PolarHBondContact O-N 2.83Å; E210-K212 HydrophobicContact CG-CG 4.21Å; E210-K212 WeakPolarHBondContact OE1-CE 3.36Å; E210-K212 IonicContact OE1-NZ 3.13Å; E210-K212 PolarHBondContact OE1-NZ 3.37Å; E210-K212 VanDerWaalsContact OE1-NZ 3.13Å; E210-K212 VanDerWaalsContact OE2-CE 3.24Å; E210-K212 WeakPolarHBondContact OE2-CE 3.35Å; E210-K212 IonicContact OE2-NZ 2.76Å; E210-K212 PolarHBondContact OE2-NZ 2.92Å
213	W	86.7	Confident	92.3	Very high	52 Å²	52	48.1 Å²	48.1	20%	0.197	24%	0.239	C	C	.	.			trans	-110.8	132	170.8	-60.9	-11.3	0	0	0	112.8	L88 Y116 M117 F211 G215 I216 Q217	L88-W213 HydrophobicContact CB-CZ3 3.85Å; L88-W213 HydrophobicContact CD1-CZ3 4.43Å; Y116-W213 HydrophobicContact CD1-CH2 4.44Å; Y116-W213 AromaticContact CE1-CH2 3.56Å; Y116-W213 HydrophobicContact CE1-CH2 3.56Å; Y116-W213 AromaticContact CE1-CZ2 3.94Å; Y116-W213 HydrophobicContact CE1-CZ2 3.94Å; M117-W213 HydrophobicContact CG-CH2 4.34Å; M117-W213 HydrophobicContact CG-CZ2 3.94Å; F211-W213 HydrophobicContact CD1-CB 4.32Å; F211-W213 HydrophobicContact CE1-CB 3.69Å; F211-W213 AromaticContact CE1-CD2 3.97Å; F211-W213 HydrophobicContact CE1-CD2 3.97Å; F211-W213 AromaticContact CE1-CE3 3.95Å; F211-W213 HydrophobicContact CE1-CE3 3.95Å; F211-W213 AromaticContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CZ-CB 4.41Å; F211-W213 AromaticContact CZ-CD2 3.78Å; F211-W213 HydrophobicContact CZ-CD2 3.78Å; F211-W213 AromaticContact CZ-CE3 3.59Å; F211-W213 HydrophobicContact CZ-CE3 3.59Å; F211-W213 HydrophobicContact CZ-CG 4.16Å; F211-W213 HydrophobicContact CZ-CZ3 4.04Å; F211-W213 PolarHBondContact O-N 3.12Å; W213-G215 PolarHBondContact O-N 3.49Å; W213-I216 HydrophobicContact CB-CD1 4.41Å; W213-I216 HydrophobicContact CB-CG1 4.12Å; W213-I216 HydrophobicContact CE3-CD1 3.84Å; W213-I216 PolarHBondContact O-N 3.21Å; W213-Q217 PolarHBondContact O-N 3.34Å
214	W	83.8	Confident	92	Very high	256 Å²	256	49 Å²	49	97%	0.97	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	135.3	-177.9	-174.2	81.6	0	0	0	111.5	I216	W214-I216 VanDerWaalsContact C-N 3.3Å; W214-I216 PolarHBondContact O-N 3.2Å
215	G	87.3	Confident	91.9	Very high	69 Å²	69	49.1 Å²	49.1	71%	0.711	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-17.5	175.7	0	0	0	0	0	116.3	W213	W213-G215 PolarHBondContact O-N 3.49Å
216	I	87.6	Confident	91.7	Very high	40 Å²	40	51.2 Å²	51.2	21%	0.205	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-6.8	-177	66.8	168.9	0	0	0	115.1	L88 F211 W213 W214 G218 R219 V220	L88-I216 HydrophobicContact CD1-CD1 3.26Å; F211-I216 HydrophobicContact CE1-CD1 3.7Å; F211-I216 HydrophobicContact CE1-CG1 3.73Å; F211-I216 HydrophobicContact CZ-CD1 4.07Å; W213-I216 HydrophobicContact CB-CD1 4.41Å; W213-I216 HydrophobicContact CB-CG1 4.12Å; W213-I216 HydrophobicContact CE3-CD1 3.84Å; W213-I216 PolarHBondContact O-N 3.21Å; W214-I216 VanDerWaalsContact C-N 3.3Å; W214-I216 PolarHBondContact O-N 3.2Å; I216-G218 PolarHBondContact O-N 2.87Å; I216-R219 PolarHBondContact O-N 3.3Å; I216-R219 VanDerWaalsContact O-N 3.08Å; I216-V220 HydrophobicContact CB-CG2 4.45Å; I216-V220 HydrophobicContact CD1-CG2 4.19Å; I216-V220 HydrophobicContact CG1-CG2 4.39Å; I216-V220 PolarHBondContact O-N 3.42Å
217	Q	89.3	Confident	91.5	Very high	73 Å²	73	52.2 Å²	52.2	34%	0.341	26%	0.264	S	S	.	.	H	α-helix	trans	-45.2	-58.4	-179.9	170.1	167.4	1.7	0	0	113.5	F211 W213 R219 V220 E221	F211-Q217 VanDerWaalsContact O-CB 3.23Å; F211-Q217 WeakPolarHBondContact O-CB 3.2Å; F211-Q217 WeakPolarHBondContact O-CG 3.27Å; F211-Q217 PolarHBondContact O-OE1 3.37Å; W213-Q217 PolarHBondContact O-N 3.34Å; Q217-R219 VanDerWaalsContact C-N 3.28Å; Q217-R219 PolarHBondContact O-N 3.46Å; Q217-V220 PolarHBondContact O-N 2.89Å; Q217-E221 HydrophobicContact CG-CG 4.31Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.24Å; Q217-E221 PolarHBondContact NE2-OE1 3.41Å; Q217-E221 WeakPolarHBondContact O-CB 3.48Å; Q217-E221 WeakPolarHBondContact O-CG 3.34Å; Q217-E221 PolarHBondContact O-N 2.91Å
218	G	90.2	Very high	91.4	Very high	40 Å²	40	53.2 Å²	53.2	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-33.7	-177.2	0	0	0	0	0	113.1	I216 N222	I216-G218 PolarHBondContact O-N 2.87Å; G218-N222 WeakPolarHBondContact O-CB 3.29Å; G218-N222 PolarHBondContact O-N 3.45Å; G218-N222 VanDerWaalsContact O-N 3.15Å; G218-N222 PolarHBondContact O-ND2 3.44Å
219	R	90	Very high	91.4	Very high	139 Å²	139	55.3 Å²	55.3	53%	0.525	27%	0.274	S	S	.	.	H	α-helix	trans	-67.9	-47.3	177.7	-178.7	177.7	176.5	173.1	-0.2	111.1	I216 Q217 M223	I216-R219 PolarHBondContact O-N 3.3Å; I216-R219 VanDerWaalsContact O-N 3.08Å; Q217-R219 VanDerWaalsContact C-N 3.28Å; Q217-R219 PolarHBondContact O-N 3.46Å; R219-M223 WeakPolarHBondContact O-CB 3.36Å; R219-M223 PolarHBondContact O-N 2.82Å
220	V	89.1	Confident	91.6	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-44.8	-178.7	177.4	0	0	0	0	111.2	Y84 F211 I216 Q217 N222 M223 I224	Y84-V220 HydrophobicContact CE2-CG2 4.37Å; F211-V220 HydrophobicContact CB-CG1 4.49Å; F211-V220 HydrophobicContact CD1-CB 4.08Å; F211-V220 HydrophobicContact CD1-CG1 4.3Å; F211-V220 HydrophobicContact CD1-CG2 4.32Å; F211-V220 HydrophobicContact CD2-CB 4.34Å; F211-V220 HydrophobicContact CD2-CG1 3.66Å; F211-V220 HydrophobicContact CE1-CB 4.25Å; F211-V220 HydrophobicContact CE1-CG1 4.44Å; F211-V220 HydrophobicContact CE1-CG2 4Å; F211-V220 HydrophobicContact CE2-CG1 3.87Å; F211-V220 HydrophobicContact CG-CB 4.11Å; F211-V220 HydrophobicContact CG-CG1 3.89Å; F211-V220 HydrophobicContact CZ-CB 4.49Å; F211-V220 HydrophobicContact CZ-CG1 4.26Å; F211-V220 HydrophobicContact CZ-CG2 4.15Å; I216-V220 HydrophobicContact CB-CG2 4.45Å; I216-V220 HydrophobicContact CD1-CG2 4.19Å; I216-V220 HydrophobicContact CG1-CG2 4.39Å; I216-V220 PolarHBondContact O-N 3.42Å; Q217-V220 PolarHBondContact O-N 2.89Å; V220-N222 VanDerWaalsContact C-N 3.32Å; V220-N222 PolarHBondContact O-N 2.86Å; V220-M223 PolarHBondContact O-N 3.26Å; V220-I224 HydrophobicContact CG1-CD1 3.85Å; V220-I224 HydrophobicContact CG1-CG1 4.45Å; V220-I224 WeakPolarHBondContact O-CG1 3.37Å; V220-I224 PolarHBondContact O-N 2.79Å
221	E	93	Very high	91.8	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-42.9	176.7	-70.7	-179.4	-176.2	0	0	111.2	M1 I2 C209 F211 Q217 I224 Q225	M1-E221 WeakPolarHBondContact CA-OE2 3.48Å; M1-E221 PolarHBondContact N-OE1 3.49Å; M1-E221 PolarHBondContact N-OE2 3.3Å; I2-E221 HydrophobicContact CD1-CB 3.84Å; I2-E221 HydrophobicContact CG1-CB 4.11Å; I2-E221 PolarHBondContact N-OE2 2.82Å; C209-E221 HydrophobicContact CB-CG 4.35Å; F211-E221 HydrophobicContact CB-CG 4.04Å; F211-E221 PolarHBondContact N-OE1 2.7Å; Q217-E221 HydrophobicContact CG-CG 4.31Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.24Å; Q217-E221 PolarHBondContact NE2-OE1 3.41Å; Q217-E221 WeakPolarHBondContact O-CB 3.48Å; Q217-E221 WeakPolarHBondContact O-CG 3.34Å; Q217-E221 PolarHBondContact O-N 2.91Å; E221-I224 PolarHBondContact O-N 3.16Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.26Å; E221-Q225 PolarHBondContact O-N 3.49Å; E221-Q225 VanDerWaalsContact O-N 3.08Å
222	N	93.5	Very high	92.2	Very high	82 Å²	82	56.3 Å²	56.3	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-40.3	176.9	-84	-57.3	0	0	0	113.3	I2 G218 V220 I224 Q225 T226	I2-N222 HydrophobicContact CD1-CB 4.28Å; I2-N222 VanDerWaalsContact CD1-CG 3.41Å; I2-N222 WeakPolarHBondContact CD1-OD1 3.31Å; G218-N222 WeakPolarHBondContact O-CB 3.29Å; G218-N222 PolarHBondContact O-N 3.45Å; G218-N222 VanDerWaalsContact O-N 3.15Å; G218-N222 PolarHBondContact O-ND2 3.44Å; V220-N222 VanDerWaalsContact C-N 3.32Å; V220-N222 PolarHBondContact O-N 2.86Å; N222-I224 VanDerWaalsContact C-N 3.35Å; N222-Q225 PolarHBondContact O-N 3.32Å; N222-T226 PolarHBondContact O-N 2.98Å; N222-T226 PolarHBondContact O-OG1 3.1Å
223	M	91.8	Very high	92.6	Very high	32 Å²	32	52 Å²	52	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-47.1	175.8	-179.7	-151.1	65.8	0	0	110.3	P82 Y84 V85 R219 V220 Q225 T226 Q227	P82-M223 HydrophobicContact CG-SD 3.6Å; Y84-M223 PolarHBondContact OH-SD 3.33Å; V85-M223 HydrophobicContact CG2-SD 4.46Å; R219-M223 WeakPolarHBondContact O-CB 3.36Å; R219-M223 PolarHBondContact O-N 2.82Å; V220-M223 PolarHBondContact O-N 3.26Å; M223-Q225 PolarHBondContact O-N 3.41Å; M223-T226 WeakPolarHBondContact O-CB 3.41Å; M223-T226 PolarHBondContact O-N 2.97Å; M223-T226 VanDerWaalsContact O-N 3.16Å; M223-Q227 WeakPolarHBondContact O-CG 3.42Å; M223-Q227 PolarHBondContact O-N 2.84Å
224	I	93.2	Very high	93.2	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-48.6	178.3	-71	169	0	0	0	110.4	F121 L123 C209 V220 E221 N222 T226 Q227 E228	F121-I224 HydrophobicContact CE2-CD1 3.66Å; F121-I224 HydrophobicContact CZ-CD1 4.22Å; L123-I224 HydrophobicContact CD1-CG2 3.86Å; L123-I224 HydrophobicContact CD2-CG2 3.81Å; L123-I224 HydrophobicContact CG-CG2 4.42Å; C209-I224 HydrophobicContact CB-CG2 4.46Å; C209-I224 VanDerWaalsContact SG-CD1 3.53Å; V220-I224 HydrophobicContact CG1-CD1 3.85Å; V220-I224 HydrophobicContact CG1-CG1 4.45Å; V220-I224 WeakPolarHBondContact O-CG1 3.37Å; V220-I224 PolarHBondContact O-N 2.79Å; E221-I224 PolarHBondContact O-N 3.16Å; N222-I224 VanDerWaalsContact C-N 3.35Å; I224-T226 PolarHBondContact O-N 2.97Å; I224-Q227 PolarHBondContact O-N 3.17Å; I224-Q227 VanDerWaalsContact O-N 3.07Å; I224-E228 HydrophobicContact CG2-CG 4.19Å; I224-E228 WeakPolarHBondContact O-CG 3.31Å; I224-E228 PolarHBondContact O-N 3.26Å
225	Q	95.7	Very high	93.8	Very high	3 Å²	3	40 Å²	40	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-58.6	-37	177.8	-68.7	-72.5	1.2	0	0	112.7	I2 K4 V207 E221 N222 M223 R229	I2-Q225 HydrophobicContact CB-CG 4.25Å; I2-Q225 HydrophobicContact CG2-CG 3.82Å; I2-Q225 PolarHBondContact O-NE2 3.24Å; I2-Q225 VanDerWaalsContact O-NE2 3.14Å; K4-Q225 HydrophobicContact CD-CB 4.2Å; K4-Q225 HydrophobicContact CD-CG 4.4Å; K4-Q225 HydrophobicContact CG-CG 4.37Å; V207-Q225 PolarHBondContact O-NE2 2.76Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.26Å; E221-Q225 PolarHBondContact O-N 3.49Å; E221-Q225 VanDerWaalsContact O-N 3.08Å; N222-Q225 PolarHBondContact O-N 3.32Å; M223-Q225 PolarHBondContact O-N 3.41Å; Q225-R229 PolarHBondContact O-N 2.7Å; Q225-R229 VanDerWaalsContact O-N 3.12Å
226	T	95.5	Very high	94.4	Very high	65 Å²	65	36.7 Å²	36.7	40%	0.399	19%	0.185	S	C	.	.	H	α-helix	trans	-65.8	-44.4	174.7	-58.6	0	0	0	0	111.9	N222 M223 I224 R229 R230	N222-T226 PolarHBondContact O-N 2.98Å; N222-T226 PolarHBondContact O-OG1 3.1Å; M223-T226 WeakPolarHBondContact O-CB 3.41Å; M223-T226 PolarHBondContact O-N 2.97Å; M223-T226 VanDerWaalsContact O-N 3.16Å; I224-T226 PolarHBondContact O-N 2.97Å; T226-R229 PolarHBondContact O-N 3.46Å; T226-R230 PolarHBondContact O-N 3.5Å; T226-R230 VanDerWaalsContact O-N 3.1Å
227	Q	94.1	Very high	94.9	Very high	23 Å²	23	35.2 Å²	35.2	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-69.8	-37.9	178.7	-64.2	-53.5	-45.6	0	0	111.9	M223 I224 R229 R230 I231 A279	M223-Q227 WeakPolarHBondContact O-CG 3.42Å; M223-Q227 PolarHBondContact O-N 2.84Å; I224-Q227 PolarHBondContact O-N 3.17Å; I224-Q227 VanDerWaalsContact O-N 3.07Å; Q227-R229 PolarHBondContact O-N 2.72Å; Q227-R230 WeakPolarHBondContact O-CB 3.23Å; Q227-R230 PolarHBondContact O-N 2.82Å; Q227-R230 VanDerWaalsContact O-N 3.16Å; Q227-I231 WeakPolarHBondContact O-CB 3.44Å; Q227-I231 VanDerWaalsContact O-CG1 3.28Å; Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 2.87Å; Q227-A279 HydrophobicContact CG-CB 4.29Å
228	E	96.3	Very high	95.4	Very high	20 Å²	20	33.9 Å²	33.9	9%	0.093	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-44.8	174	-71.2	-56.2	144.5	0	0	111.4	I125 V207 I224 R230 I231 F232	I125-E228 WeakPolarHBondContact CD1-OE2 3.19Å; V207-E228 HydrophobicContact CG1-CB 4.45Å; V207-E228 HydrophobicContact CG1-CG 3.99Å; V207-E228 HydrophobicContact CG2-CB 4.3Å; V207-E228 HydrophobicContact CG2-CG 4.42Å; I224-E228 HydrophobicContact CG2-CG 4.19Å; I224-E228 WeakPolarHBondContact O-CG 3.31Å; I224-E228 PolarHBondContact O-N 3.26Å; E228-R230 VanDerWaalsContact C-N 3.31Å; E228-R230 PolarHBondContact O-N 3.12Å; E228-I231 PolarHBondContact O-N 2.93Å; E228-F232 HydrophobicContact CB-CE2 4.07Å; E228-F232 HydrophobicContact CB-CZ 4.19Å; E228-F232 WeakPolarHBondContact O-CB 3.47Å; E228-F232 VanDerWaalsContact O-CD2 3.29Å; E228-F232 WeakPolarHBondContact O-CD2 3.41Å; E228-F232 WeakPolarHBondContact O-CG 3.48Å; E228-F232 PolarHBondContact O-N 2.85Å; E228-F232 WeakPolarHBondContact OE2-CE1 3.35Å; E228-F232 VanDerWaalsContact OE2-CZ 3.32Å; E228-F232 WeakPolarHBondContact OE2-CZ 3.41Å
229	R	97.9	Very high	95.8	Very high	65 Å²	65	32 Å²	32	25%	0.245	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-45.9	172.9	-174	-173.9	164.3	-83	-5.6	111.6	F6 I155 D160 Q225 T226 Q227 F232 L233	F6-R229 HydrophobicContact CD1-CB 4.32Å; F6-R229 HydrophobicContact CD1-CG 4.26Å; F6-R229 HydrophobicContact CE1-CB 3.58Å; F6-R229 HydrophobicContact CE1-CG 3.84Å; F6-R229 HydrophobicContact CZ-CB 3.98Å; I155-R229 HydrophobicContact CD1-CG 3.97Å; I155-R229 HydrophobicContact CG1-CG 4.43Å; D160-R229 IonicContact OD2-CZ 3.9Å; D160-R229 IonicContact OD2-NH2 2.78Å; D160-R229 PolarHBondContact OD2-NH2 2.98Å; Q225-R229 PolarHBondContact O-N 2.7Å; Q225-R229 VanDerWaalsContact O-N 3.12Å; T226-R229 PolarHBondContact O-N 3.46Å; Q227-R229 PolarHBondContact O-N 2.72Å; R229-F232 PolarHBondContact O-N 3.22Å; R229-L233 WeakPolarHBondContact O-CB 3.19Å; R229-L233 PolarHBondContact O-N 2.83Å
230	R	97.1	Very high	96.2	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.019	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-47.5	178.6	178.2	-173.2	-172.1	-166.2	-1.4	111.2	H163 D167 T226 Q227 E228 L233 N234 V278	H163-R230 HydrophobicContact CB-CB 4.04Å; H163-R230 HydrophobicContact CB-CG 3.65Å; D167-R230 IonicContact OD1-CZ 3.6Å; D167-R230 IonicContact OD1-NE 3.49Å; D167-R230 PolarHBondContact OD1-NE 2.84Å; D167-R230 IonicContact OD1-NH2 3.54Å; D167-R230 PolarHBondContact OD1-NH2 2.77Å; D167-R230 IonicContact OD2-CZ 2.67Å; D167-R230 IonicContact OD2-NE 3.39Å; D167-R230 PolarHBondContact OD2-NE 3.09Å; D167-R230 IonicContact OD2-NH2 3.84Å; D167-R230 PolarHBondContact OD2-NH2 3.45Å; T226-R230 PolarHBondContact O-N 3.5Å; T226-R230 VanDerWaalsContact O-N 3.1Å; Q227-R230 WeakPolarHBondContact O-CB 3.23Å; Q227-R230 PolarHBondContact O-N 2.82Å; Q227-R230 VanDerWaalsContact O-N 3.16Å; E228-R230 VanDerWaalsContact C-N 3.31Å; E228-R230 PolarHBondContact O-N 3.12Å; R230-L233 PolarHBondContact O-N 2.85Å; R230-N234 WeakPolarHBondContact O-CB 3.27Å; R230-N234 VanDerWaalsContact O-CG 3.26Å; R230-N234 PolarHBondContact O-N 2.91Å; R230-N234 PolarHBondContact O-ND2 3.21Å; R230-V278 PolarHBondContact NH1-O 2.65Å
231	I	96.2	Very high	96.6	Very high	87 Å²	87	25.3 Å²	25.3	45%	0.446	13%	0.126	S	C	.	.	H	α-helix	trans	-59.9	-50.1	177.6	-70	164.5	0	0	0	109.7	Q227 E228 L233 N234 F235	Q227-I231 WeakPolarHBondContact O-CB 3.44Å; Q227-I231 VanDerWaalsContact O-CG1 3.28Å; Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 2.87Å; E228-I231 PolarHBondContact O-N 2.93Å; I231-L233 PolarHBondContact O-N 2.83Å; I231-N234 PolarHBondContact O-N 2.89Å; I231-F235 WeakPolarHBondContact O-CB 3.38Å; I231-F235 PolarHBondContact O-N 2.97Å
232	F	98.5	Very high	96.9	Very high	10 Å²	10	26 Å²	26	4%	0.044	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-42.7	-179.4	-61.7	-23.7	0	0	0	112.6	F6 I8 I125 I155 K205 V207 E228 R229 N236	F6-F232 HydrophobicContact CB-CD2 4Å; F6-F232 HydrophobicContact CB-CE2 4.36Å; F6-F232 AromaticContact CD2-CD2 3.83Å; F6-F232 HydrophobicContact CD2-CD2 3.83Å; F6-F232 AromaticContact CD2-CE2 3.58Å; F6-F232 HydrophobicContact CD2-CE2 3.58Å; F6-F232 HydrophobicContact CE2-CD2 4.46Å; F6-F232 HydrophobicContact CE2-CE2 4.12Å; F6-F232 AromaticContact CG-CD2 3.9Å; F6-F232 HydrophobicContact CG-CD2 3.9Å; F6-F232 HydrophobicContact CG-CE2 4.13Å; I8-F232 HydrophobicContact CD1-CB 4.41Å; I8-F232 HydrophobicContact CG1-CB 4.31Å; I125-F232 HydrophobicContact CD1-CZ 4.37Å; I125-F232 HydrophobicContact CG2-CZ 4.04Å; I155-F232 HydrophobicContact CD1-CB 3.76Å; I155-F232 HydrophobicContact CD1-CD2 4.37Å; K205-F232 HydrophobicContact CB-CD2 4.4Å; K205-F232 HydrophobicContact CB-CE2 3.9Å; K205-F232 HydrophobicContact CB-CZ 4.16Å; K205-F232 HydrophobicContact CD-CD1 3.6Å; K205-F232 HydrophobicContact CD-CD2 3.95Å; K205-F232 HydrophobicContact CD-CE1 3.53Å; K205-F232 HydrophobicContact CD-CE2 3.87Å; K205-F232 HydrophobicContact CD-CG 3.83Å; K205-F232 HydrophobicContact CD-CZ 3.68Å; V207-F232 HydrophobicContact CG2-CE2 3.64Å; V207-F232 HydrophobicContact CG2-CZ 3.86Å; E228-F232 HydrophobicContact CB-CE2 4.07Å; E228-F232 HydrophobicContact CB-CZ 4.19Å; E228-F232 WeakPolarHBondContact O-CB 3.47Å; E228-F232 VanDerWaalsContact O-CD2 3.29Å; E228-F232 WeakPolarHBondContact O-CD2 3.41Å; E228-F232 WeakPolarHBondContact O-CG 3.48Å; E228-F232 PolarHBondContact O-N 2.85Å; E228-F232 WeakPolarHBondContact OE2-CE1 3.35Å; E228-F232 VanDerWaalsContact OE2-CZ 3.32Å; E228-F232 WeakPolarHBondContact OE2-CZ 3.41Å; R229-F232 PolarHBondContact O-N 3.22Å; F232-N236 VanDerWaalsContact O-CB 3.28Å; F232-N236 WeakPolarHBondContact O-CB 3.32Å; F232-N236 PolarHBondContact O-N 2.83Å; F232-N236 VanDerWaalsContact O-N 3.09Å; F232-N236 PolarHBondContact O-ND2 3.43Å
233	L	98.5	Very high	97.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-53.9	176.7	176.6	56.7	0	0	0	111.2	I155 D160 L162 R229 R230 I231 N236 R237	I155-L233 HydrophobicContact CG2-CB 3.97Å; I155-L233 HydrophobicContact CG2-CD1 3.76Å; I155-L233 HydrophobicContact CG2-CG 4.42Å; D160-L233 HydrophobicContact CB-CD1 4.15Å; D160-L233 HydrophobicContact CB-CD2 3.86Å; L162-L233 HydrophobicContact CD2-CD2 4.01Å; L162-L233 HydrophobicContact CD2-CG 4.29Å; R229-L233 WeakPolarHBondContact O-CB 3.19Å; R229-L233 PolarHBondContact O-N 2.83Å; R230-L233 PolarHBondContact O-N 2.85Å; I231-L233 PolarHBondContact O-N 2.83Å; L233-N236 PolarHBondContact O-N 2.96Å; L233-R237 HydrophobicContact CD1-CG 4.35Å; L233-R237 VanDerWaalsContact O-CG 3.28Å; L233-R237 WeakPolarHBondContact O-CG 3.12Å; L233-R237 PolarHBondContact O-N 2.88Å; L233-R237 VanDerWaalsContact O-N 3.08Å
234	N	97.8	Very high	97.4	Very high	25 Å²	25	22.3 Å²	22.3	13%	0.134	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-44.4	-175.1	-65.4	-11.1	0	0	0	111.8	D167 R230 I231 N236 R237 Q238	D167-N234 PolarHBondContact OD2-ND2 3.27Å; R230-N234 WeakPolarHBondContact O-CB 3.27Å; R230-N234 VanDerWaalsContact O-CG 3.26Å; R230-N234 PolarHBondContact O-N 2.91Å; R230-N234 PolarHBondContact O-ND2 3.21Å; I231-N234 PolarHBondContact O-N 2.89Å; N234-N236 PolarHBondContact O-N 3.01Å; N234-R237 WeakPolarHBondContact O-CB 3.25Å; N234-R237 PolarHBondContact O-N 2.62Å; N234-Q238 WeakPolarHBondContact O-CG 3.43Å; N234-Q238 PolarHBondContact O-N 2.76Å
235	F	98.4	Very high	97.7	Very high	29 Å²	29	27 Å²	27	13%	0.127	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-43.9	178.7	177.5	-99.4	0	0	0	111.9	Q21 A24 V25 I231 R237 Q238 V239	Q21-F235 HydrophobicContact CB-CE1 4.31Å; Q21-F235 HydrophobicContact CB-CZ 4.31Å; Q21-F235 WeakPolarHBondContact O-CZ 3.43Å; A24-F235 HydrophobicContact CB-CE2 3.64Å; A24-F235 HydrophobicContact CB-CZ 3.76Å; V25-F235 HydrophobicContact CG2-CE2 3.8Å; V25-F235 HydrophobicContact CG2-CZ 3.69Å; I231-F235 WeakPolarHBondContact O-CB 3.38Å; I231-F235 PolarHBondContact O-N 2.97Å; F235-R237 PolarHBondContact O-N 2.88Å; F235-Q238 WeakPolarHBondContact O-CB 3.41Å; F235-Q238 PolarHBondContact O-N 2.94Å; F235-Q238 VanDerWaalsContact O-N 3.16Å; F235-V239 HydrophobicContact CD1-CG2 4.01Å; F235-V239 HydrophobicContact CE1-CG2 3.52Å; F235-V239 HydrophobicContact CE2-CG2 4.34Å; F235-V239 HydrophobicContact CZ-CG2 3.71Å; F235-V239 WeakPolarHBondContact O-CG2 3.38Å; F235-V239 PolarHBondContact O-N 3.35Å
236	N	98.7	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-74.1	-27.7	-178.6	-75.7	-74.8	0	0	0	113	I8 L10 Y17 I157 F232 L233 N234 F240	I8-N236 HydrophobicContact CG2-CB 3.8Å; L10-N236 WeakPolarHBondContact CD1-OD1 3.38Å; L10-N236 HydrophobicContact CD2-CB 3.92Å; Y17-N236 WeakPolarHBondContact CE2-OD1 3.48Å; Y17-N236 PolarHBondContact OH-OD1 2.97Å; Y17-N236 VanDerWaalsContact OH-OD1 3.13Å; I157-N236 HydrophobicContact CG2-CB 3.91Å; F232-N236 VanDerWaalsContact O-CB 3.28Å; F232-N236 WeakPolarHBondContact O-CB 3.32Å; F232-N236 PolarHBondContact O-N 2.83Å; F232-N236 VanDerWaalsContact O-N 3.09Å; F232-N236 PolarHBondContact O-ND2 3.43Å; L233-N236 PolarHBondContact O-N 2.96Å; N234-N236 PolarHBondContact O-N 3.01Å; N236-F240 PolarHBondContact O-N 3.42Å; N236-F240 VanDerWaalsContact O-N 3.14Å
237	R	98.6	Very high	97.9	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.038	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-45.7	165.5	-71.2	171	64.8	92.9	-4.2	111.1	I157 C172 D173 P174 L233 N234 F235 F240 C241	I157-R237 HydrophobicContact CB-CG 3.95Å; I157-R237 WeakPolarHBondContact O-CG 3.26Å; I157-R237 PolarHBondContact O-NH1 3.25Å; C172-R237 PolarHBondContact O-NE 2.77Å; C172-R237 PolarHBondContact O-NH2 3.33Å; D173-R237 VanDerWaalsContact CA-NH2 3.32Å; D173-R237 IonicContact OD1-CZ 3.19Å; D173-R237 IonicContact OD1-NH1 2.79Å; D173-R237 IonicContact OD1-NH2 2.76Å; D173-R237 PolarHBondContact OD1-NH2 3.15Å; P174-R237 HydrophobicContact CG-CB 4.33Å; P174-R237 HydrophobicContact CG-CG 4.03Å; L233-R237 HydrophobicContact CD1-CG 4.35Å; L233-R237 VanDerWaalsContact O-CG 3.28Å; L233-R237 WeakPolarHBondContact O-CG 3.12Å; L233-R237 PolarHBondContact O-N 2.88Å; L233-R237 VanDerWaalsContact O-N 3.08Å; N234-R237 WeakPolarHBondContact O-CB 3.25Å; N234-R237 PolarHBondContact O-N 2.62Å; F235-R237 PolarHBondContact O-N 2.88Å; R237-F240 PolarHBondContact O-N 3.21Å; R237-C241 WeakPolarHBondContact O-CB 3.31Å; R237-C241 PolarHBondContact O-N 3.05Å; R237-C241 PolarHBondContact O-SG 3.47Å; R237-C241 VanDerWaalsContact O-SG 3.37Å
238	Q	98.4	Very high	98.1	Very high	44 Å²	44	29 Å²	29	21%	0.206	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-46	176.1	-71.2	168.6	-17	0	0	112.2	C172 N234 F235 F240 C241 W242	C172-Q238 HydrophobicContact CB-CG 4.27Å; N234-Q238 WeakPolarHBondContact O-CG 3.43Å; N234-Q238 PolarHBondContact O-N 2.76Å; F235-Q238 WeakPolarHBondContact O-CB 3.41Å; F235-Q238 PolarHBondContact O-N 2.94Å; F235-Q238 VanDerWaalsContact O-N 3.16Å; Q238-F240 VanDerWaalsContact C-N 3.31Å; Q238-F240 PolarHBondContact O-N 3.37Å; Q238-C241 PolarHBondContact O-N 3.24Å; Q238-W242 HydrophobicContact CB-CD2 4.07Å; Q238-W242 HydrophobicContact CB-CE3 3.76Å; Q238-W242 HydrophobicContact CB-CH2 3.81Å; Q238-W242 HydrophobicContact CB-CZ2 4.06Å; Q238-W242 HydrophobicContact CB-CZ3 3.66Å; Q238-W242 HydrophobicContact CG-CH2 3.82Å; Q238-W242 HydrophobicContact CG-CZ2 3.89Å; Q238-W242 HydrophobicContact CG-CZ3 4.19Å; Q238-W242 WeakPolarHBondContact O-CB 3.46Å; Q238-W242 VanDerWaalsContact O-CG 3.22Å; Q238-W242 PolarHBondContact O-N 2.85Å
239	V	98.7	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-53.1	-50.4	176.2	172.1	0	0	0	0	110.4	L12 Y17 A24 F235 L243 W246	L12-V239 HydrophobicContact CD1-CG1 3.93Å; Y17-V239 HydrophobicContact CD2-CG1 3.98Å; Y17-V239 HydrophobicContact CE2-CG1 4.04Å; Y17-V239 HydrophobicContact CE2-CG2 4.48Å; A24-V239 HydrophobicContact CB-CG2 3.54Å; F235-V239 HydrophobicContact CD1-CG2 4.01Å; F235-V239 HydrophobicContact CE1-CG2 3.52Å; F235-V239 HydrophobicContact CE2-CG2 4.34Å; F235-V239 HydrophobicContact CZ-CG2 3.71Å; F235-V239 WeakPolarHBondContact O-CG2 3.38Å; F235-V239 PolarHBondContact O-N 3.35Å; V239-L243 PolarHBondContact O-N 3.28Å; V239-W246 HydrophobicContact CG1-CZ2 4.08Å; V239-W246 WeakPolarHBondContact O-CZ2 3.38Å; V239-W246 PolarHBondContact O-NE1 2.85Å
240	F	98.7	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-48.5	179.1	176.9	-114	0	0	0	112.6	P11 I157 P174 Y177 R184 L187 N236 R237 Q238 W242 L243	P11-F240 HydrophobicContact CB-CE2 4.36Å; P11-F240 HydrophobicContact CG-CD2 3.37Å; P11-F240 HydrophobicContact CG-CE2 3.26Å; P11-F240 HydrophobicContact CG-CG 4.17Å; P11-F240 HydrophobicContact CG-CZ 3.97Å; I157-F240 HydrophobicContact CD1-CB 4.16Å; I157-F240 HydrophobicContact CD1-CD1 4.49Å; I157-F240 HydrophobicContact CD1-CG 4.39Å; P174-F240 HydrophobicContact CB-CD1 3.77Å; P174-F240 HydrophobicContact CB-CE1 3.9Å; P174-F240 HydrophobicContact CG-CD1 4.04Å; Y177-F240 HydrophobicContact CD1-CD1 4.11Å; Y177-F240 AromaticContact CD1-CE1 3.75Å; Y177-F240 HydrophobicContact CD1-CE1 3.75Å; Y177-F240 HydrophobicContact CD1-CZ 4.11Å; Y177-F240 HydrophobicContact CE1-CE1 4.46Å; Y177-F240 HydrophobicContact CE1-CZ 4.49Å; Y177-F240 VanDerWaalsContact CE1-O 3.24Å; Y177-F240 WeakPolarHBondContact CE1-O 3.24Å; R184-F240 HydrophobicContact CB-CE2 4.3Å; L187-F240 HydrophobicContact CD1-CD1 4.07Å; L187-F240 HydrophobicContact CD1-CE1 3.62Å; L187-F240 HydrophobicContact CD1-CE2 4.44Å; L187-F240 HydrophobicContact CD1-CZ 3.83Å; L187-F240 HydrophobicContact CD2-CZ 4.07Å; L187-F240 HydrophobicContact CG-CE1 3.75Å; L187-F240 HydrophobicContact CG-CZ 3.77Å; N236-F240 PolarHBondContact O-N 3.42Å; N236-F240 VanDerWaalsContact O-N 3.14Å; R237-F240 PolarHBondContact O-N 3.21Å; Q238-F240 VanDerWaalsContact C-N 3.31Å; Q238-F240 PolarHBondContact O-N 3.37Å; F240-W242 PolarHBondContact O-N 3.01Å; F240-L243 WeakPolarHBondContact O-CB 3.46Å; F240-L243 PolarHBondContact O-N 2.83Å
241	C	98.6	Very high	98.2	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-73	-12.9	-177.1	-66.2	0	0	0	0	114	C172 Y177 R237 Q238	C172-C241 HydrophobicContact CB-CB 4.23Å; Y177-C241 HydrophobicContact CD1-CB 4.27Å; Y177-C241 HydrophobicContact CD2-CB 4.19Å; Y177-C241 WeakPolarHBondContact CE2-O 3.47Å; Y177-C241 HydrophobicContact CG-CB 3.98Å; Y177-C241 VanDerWaalsContact CZ-O 3.24Å; R237-C241 WeakPolarHBondContact O-CB 3.31Å; R237-C241 PolarHBondContact O-N 3.05Å; R237-C241 PolarHBondContact O-SG 3.47Å; R237-C241 VanDerWaalsContact O-SG 3.37Å; Q238-C241 PolarHBondContact O-N 3.24Å
242	W	98.5	Very high	98.2	Very high	20 Å²	20	34 Å²	34	8%	0.076	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	9.9	170.8	-63.7	-20.1	0	0	0	113.3	W23 A24 E27 Q238 F240 D244 K245 W246	W23-W242 HydrophobicContact CE3-CB 4.36Å; W23-W242 HydrophobicContact CE3-CE3 4.15Å; W23-W242 HydrophobicContact CH2-CB 4.42Å; W23-W242 HydrophobicContact CH2-CD2 4.49Å; W23-W242 HydrophobicContact CH2-CG 4.49Å; W23-W242 HydrophobicContact CZ3-CB 3.68Å; W23-W242 AromaticContact CZ3-CD2 3.75Å; W23-W242 HydrophobicContact CZ3-CD2 3.75Å; W23-W242 AromaticContact CZ3-CE3 3.49Å; W23-W242 HydrophobicContact CZ3-CE3 3.49Å; W23-W242 VanDerWaalsContact CZ3-CE3 3.49Å; W23-W242 AromaticContact CZ3-CG 3.87Å; W23-W242 HydrophobicContact CZ3-CG 3.87Å; W23-W242 HydrophobicContact CZ3-CZ3 4.3Å; A24-W242 HydrophobicContact CB-CE3 4Å; A24-W242 HydrophobicContact CB-CZ3 4.11Å; E27-W242 HydrophobicContact CB-CH2 4.4Å; E27-W242 HydrophobicContact CB-CZ3 4.1Å; Q238-W242 HydrophobicContact CB-CD2 4.07Å; Q238-W242 HydrophobicContact CB-CE3 3.76Å; Q238-W242 HydrophobicContact CB-CH2 3.81Å; Q238-W242 HydrophobicContact CB-CZ2 4.06Å; Q238-W242 HydrophobicContact CB-CZ3 3.66Å; Q238-W242 HydrophobicContact CG-CH2 3.82Å; Q238-W242 HydrophobicContact CG-CZ2 3.89Å; Q238-W242 HydrophobicContact CG-CZ3 4.19Å; Q238-W242 WeakPolarHBondContact O-CB 3.46Å; Q238-W242 VanDerWaalsContact O-CG 3.22Å; Q238-W242 PolarHBondContact O-N 2.85Å; F240-W242 PolarHBondContact O-N 3.01Å; W242-D244 PolarHBondContact O-N 3.48Å; W242-D244 VanDerWaalsContact O-N 3.11Å; W242-K245 HydrophobicContact CB-CD 4.23Å; W242-K245 HydrophobicContact CG-CD 4.22Å; W242-K245 WeakPolarHBondContact O-CA 3.27Å; W242-K245 VanDerWaalsContact O-CB 3.31Å; W242-K245 WeakPolarHBondContact O-CB 3.45Å; W242-K245 PolarHBondContact O-N 2.86Å; W242-W246 VanDerWaalsContact C-NE1 3.32Å; W242-W246 PolarHBondContact O-N 3.07Å; W242-W246 PolarHBondContact O-NE1 3.29Å
243	L	98.5	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-45.9	-46.2	-178.8	178.8	59.6	0	0	0	112.7	L12 Y177 T182 R184 V239 F240 K245 W246 H247	L12-L243 HydrophobicContact CD2-CD1 3.97Å; L12-L243 HydrophobicContact CD2-CD2 4.4Å; Y177-L243 HydrophobicContact CE1-CB 4.33Å; T182-L243 HydrophobicContact CG2-CD1 4.43Å; T182-L243 HydrophobicContact CG2-CD2 3.95Å; T182-L243 HydrophobicContact CG2-CG 4.18Å; T182-L243 VanDerWaalsContact OG1-CD2 3.25Å; T182-L243 WeakPolarHBondContact OG1-CD2 3.4Å; R184-L243 HydrophobicContact CB-CD2 4.35Å; V239-L243 PolarHBondContact O-N 3.28Å; F240-L243 WeakPolarHBondContact O-CB 3.46Å; F240-L243 PolarHBondContact O-N 2.83Å; L243-K245 PolarHBondContact O-N 2.87Å; L243-K245 VanDerWaalsContact O-N 3.15Å; L243-W246 HydrophobicContact CB-CZ2 4.13Å; L243-W246 HydrophobicContact CD1-CD2 4.47Å; L243-W246 HydrophobicContact CD1-CE3 4.27Å; L243-W246 HydrophobicContact CD1-CH2 3.14Å; L243-W246 HydrophobicContact CD1-CZ2 3.37Å; L243-W246 HydrophobicContact CD1-CZ3 3.63Å; L243-W246 HydrophobicContact CG-CH2 4.48Å; L243-W246 HydrophobicContact CG-CZ2 4.36Å; L243-W246 PolarHBondContact O-N 3.06Å; L243-H247 HydrophobicContact CD1-CB 3.93Å; L243-H247 HydrophobicContact CG-CB 4.41Å; L243-H247 WeakPolarHBondContact O-CB 3.46Å; L243-H247 PolarHBondContact O-N 3.39Å
244	D	98.5	Very high	98.2	Very high	37 Å²	37	37 Å²	37	20%	0.198	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-22.3	179.8	-72.9	-20.9	0	0	0	114.4	Y177 S179 V180 K181 W242	Y177-D244 PolarHBondContact OH-N 2.79Å; Y177-D244 PolarHBondContact OH-OD2 3.31Å; S179-D244 WeakPolarHBondContact CA-OD2 3.44Å; S179-D244 WeakPolarHBondContact CB-OD1 3.29Å; S179-D244 PolarHBondContact OG-OD1 2.8Å; V180-D244 PolarHBondContact N-OD1 3.11Å; V180-D244 PolarHBondContact N-OD2 3.43Å; K181-D244 WeakPolarHBondContact CB-OD1 3.29Å; K181-D244 WeakPolarHBondContact CD-O 3.36Å; K181-D244 WeakPolarHBondContact CE-O 3.28Å; K181-D244 HydrophobicContact CG-CB 4.47Å; K181-D244 PolarHBondContact N-OD1 3.47Å; K181-D244 PolarHBondContact NZ-O 3.47Å; W242-D244 PolarHBondContact O-N 3.48Å; W242-D244 VanDerWaalsContact O-N 3.11Å
245	K	98.4	Very high	98.1	Very high	117 Å²	117	38.3 Å²	38.3	51%	0.509	21%	0.208	S	C	.	.	H	α-helix	trans	-80.3	-34.8	-179.8	-59.3	-176.3	-179.8	173.4	0	112.5	W23 W242 L243	W23-K245 HydrophobicContact CH2-CB 3.6Å; W23-K245 HydrophobicContact CH2-CD 3.28Å; W23-K245 HydrophobicContact CH2-CG 4.1Å; W23-K245 HydrophobicContact CZ2-CB 3.63Å; W23-K245 HydrophobicContact CZ2-CD 3.92Å; W23-K245 HydrophobicContact CZ2-CG 4.43Å; W23-K245 HydrophobicContact CZ3-CB 4.17Å; W23-K245 HydrophobicContact CZ3-CD 4.07Å; W242-K245 HydrophobicContact CB-CD 4.23Å; W242-K245 HydrophobicContact CG-CD 4.22Å; W242-K245 WeakPolarHBondContact O-CA 3.27Å; W242-K245 VanDerWaalsContact O-CB 3.31Å; W242-K245 WeakPolarHBondContact O-CB 3.45Å; W242-K245 PolarHBondContact O-N 2.86Å; L243-K245 PolarHBondContact O-N 2.87Å; L243-K245 VanDerWaalsContact O-N 3.15Å
246	W	98.3	Very high	98	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	23%	0.225	C	C	.	.	H	α-helix	trans	-112.3	-15.1	-174.5	57.9	-106.8	0	0	0	114.4	L12 E16 V19 W23 V239 W242 L243 G248 L249	L12-W246 HydrophobicContact CD1-CH2 4.12Å; L12-W246 HydrophobicContact CD1-CZ2 4.19Å; L12-W246 HydrophobicContact CD2-CH2 3.81Å; L12-W246 HydrophobicContact CD2-CZ2 4.22Å; E16-W246 HydrophobicContact CB-CH2 4.12Å; E16-W246 HydrophobicContact CB-CZ3 3.99Å; E16-W246 WeakPolarHBondContact O-CZ3 3.4Å; V19-W246 HydrophobicContact CG1-CE3 4.41Å; W23-W246 HydrophobicContact CB-CB 3.76Å; W23-W246 HydrophobicContact CB-CG 4.36Å; W23-W246 HydrophobicContact CD2-CB 3.8Å; W23-W246 HydrophobicContact CD2-CG 4.4Å; W23-W246 HydrophobicContact CE3-CB 4.24Å; W23-W246 AromaticContact CE3-CD1 3.72Å; W23-W246 HydrophobicContact CE3-CG 4.37Å; W23-W246 HydrophobicContact CG-CB 3.54Å; W23-W246 HydrophobicContact CG-CG 4.39Å; V239-W246 HydrophobicContact CG1-CZ2 4.08Å; V239-W246 WeakPolarHBondContact O-CZ2 3.38Å; V239-W246 PolarHBondContact O-NE1 2.85Å; W242-W246 VanDerWaalsContact C-NE1 3.32Å; W242-W246 PolarHBondContact O-N 3.07Å; W242-W246 PolarHBondContact O-NE1 3.29Å; L243-W246 HydrophobicContact CB-CZ2 4.13Å; L243-W246 HydrophobicContact CD1-CD2 4.47Å; L243-W246 HydrophobicContact CD1-CE3 4.27Å; L243-W246 HydrophobicContact CD1-CH2 3.14Å; L243-W246 HydrophobicContact CD1-CZ2 3.37Å; L243-W246 HydrophobicContact CD1-CZ3 3.63Å; L243-W246 HydrophobicContact CG-CH2 4.48Å; L243-W246 HydrophobicContact CG-CZ2 4.36Å; L243-W246 PolarHBondContact O-N 3.06Å; W246-G248 PolarHBondContact O-N 3.23Å; W246-L249 HydrophobicContact CB-CD1 4.14Å; W246-L249 WeakPolarHBondContact O-CB 3.18Å; W246-L249 VanDerWaalsContact O-CG 3.32Å; W246-L249 WeakPolarHBondContact O-CG 3.29Å; W246-L249 PolarHBondContact O-N 3.42Å; W246-L249 VanDerWaalsContact O-N 3.1Å
247	H	98.1	Very high	98	Very high	56 Å²	56	41.7 Å²	41.7	26%	0.259	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	125.7	179.1	-177.8	-85.5	0	0	0	111.2	E16 K181 T182 L243	E16-H247 IonicContact OE1-CD2 3.87Å; E16-H247 IonicContact OE1-NE2 3.75Å; K181-H247 HydrophobicContact CD-CB 4.13Å; K181-H247 PolarHBondContact NZ-O 2.9Å; T182-H247 VanDerWaalsContact CG2-CD2 3.48Å; T182-H247 WeakPolarHBondContact CG2-CD2 3.23Å; L243-H247 HydrophobicContact CD1-CB 3.93Å; L243-H247 HydrophobicContact CG-CB 4.41Å; L243-H247 WeakPolarHBondContact O-CB 3.46Å; L243-H247 PolarHBondContact O-N 3.39Å
248	G	97.1	Very high	97.8	Very high	72 Å²	72	42.5 Å²	42.5	74%	0.742	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	-2	-177.8	0	0	0	0	0	115	W246	W246-G248 PolarHBondContact O-N 3.23Å
249	L	98.4	Very high	97.7	Very high	50 Å²	50	44.7 Å²	44.7	26%	0.262	25%	0.253	S	S	.	.			trans	-71.2	141.7	172.3	-63.7	-178.6	0	0	0	110.9	V19 W23 W246 D253 I254 I257	V19-L249 HydrophobicContact CG1-CB 3.89Å; W23-L249 HydrophobicContact CG-CD1 4.47Å; W246-L249 HydrophobicContact CB-CD1 4.14Å; W246-L249 WeakPolarHBondContact O-CB 3.18Å; W246-L249 VanDerWaalsContact O-CG 3.32Å; W246-L249 WeakPolarHBondContact O-CG 3.29Å; W246-L249 PolarHBondContact O-N 3.42Å; W246-L249 VanDerWaalsContact O-N 3.1Å; L249-D253 HydrophobicContact CB-CB 4.17Å; L249-D253 HydrophobicContact CD2-CB 4.14Å; L249-I254 HydrophobicContact CB-CD1 4.5Å; L249-I254 HydrophobicContact CD1-CD1 4.2Å; L249-I257 HydrophobicContact CD1-CD1 3.95Å
250	S	98	Very high	97.6	Very high	51 Å²	51	50.5 Å²	50.5	36%	0.357	28%	0.278	S	S	.	.			trans	-82.7	165.9	171.4	69.9	0	0	0	0	111.3	D252 D253 I254	S250-D252 PolarHBondContact O-N 2.79Å; S250-D252 PolarHBondContact OG-N 3.17Å; S250-D253 WeakPolarHBondContact CB-OD2 3.39Å; S250-D253 PolarHBondContact N-OD2 3.18Å; S250-D253 WeakPolarHBondContact O-CB 3.24Å; S250-D253 PolarHBondContact O-N 2.84Å; S250-D253 PolarHBondContact OG-N 2.85Å; S250-D253 VanDerWaalsContact OG-N 3.14Å; S250-D253 PolarHBondContact OG-OD2 3.15Å; S250-I254 WeakPolarHBondContact O-CG1 3.42Å; S250-I254 PolarHBondContact O-N 2.75Å; S250-I254 VanDerWaalsContact O-N 3.11Å
251	M	96.6	Very high	97.4	Very high	51 Å²	51	50.8 Å²	50.8	25%	0.251	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-29.2	171.9	-73	-57	-55.5	0	0	112.7	V19 L22 I254 R255	V19-M251 HydrophobicContact CG2-SD 4.13Å; L22-M251 HydrophobicContact CD1-CE 3.54Å; L22-M251 HydrophobicContact CD1-SD 4.29Å; M251-I254 HydrophobicContact CE-CG2 4.5Å; M251-I254 WeakPolarHBondContact O-CB 3.39Å; M251-I254 PolarHBondContact O-N 3.45Å; M251-R255 VanDerWaalsContact CE-NH2 3.34Å; M251-R255 WeakPolarHBondContact O-CG 3.34Å; M251-R255 PolarHBondContact O-N 3.27Å
252	D	97	Very high	97.2	Very high	131 Å²	131	53.8 Å²	53.8	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-67.9	-40.5	175.3	-69.2	-18.3	0	0	0	111.2	S250 I254 R255 A256	S250-D252 PolarHBondContact O-N 2.79Å; S250-D252 PolarHBondContact OG-N 3.17Å; D252-I254 VanDerWaalsContact C-N 3.27Å; D252-I254 PolarHBondContact O-N 2.57Å; D252-R255 PolarHBondContact O-N 3.3Å; D252-A256 PolarHBondContact O-N 3.06Å
253	D	98.2	Very high	97	Very high	72 Å²	72	59 Å²	59	39%	0.385	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-41.7	172.3	-60.8	-54.5	0	0	0	110.7	L249 S250 A256 I257	L249-D253 HydrophobicContact CB-CB 4.17Å; L249-D253 HydrophobicContact CD2-CB 4.14Å; S250-D253 WeakPolarHBondContact CB-OD2 3.39Å; S250-D253 PolarHBondContact N-OD2 3.18Å; S250-D253 WeakPolarHBondContact O-CB 3.24Å; S250-D253 PolarHBondContact O-N 2.84Å; S250-D253 PolarHBondContact OG-N 2.85Å; S250-D253 VanDerWaalsContact OG-N 3.14Å; S250-D253 PolarHBondContact OG-OD2 3.15Å; D253-A256 PolarHBondContact O-N 2.87Å; D253-I257 VanDerWaalsContact O-CG1 3.27Å; D253-I257 WeakPolarHBondContact O-CG1 3.32Å; D253-I257 PolarHBondContact O-N 3.41Å
254	I	97.8	Very high	96.8	Very high	1 Å²	1	61 Å²	61	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-44.7	176.2	-65.2	-55.3	0	0	0	111.5	V19 L22 W23 L249 S250 M251 D252 A256 I257 E258	V19-I254 HydrophobicContact CG1-CD1 3.86Å; V19-I254 HydrophobicContact CG1-CG1 3.92Å; L22-I254 HydrophobicContact CB-CG2 3.51Å; L22-I254 HydrophobicContact CD1-CG2 3.84Å; L22-I254 HydrophobicContact CG-CG2 4.31Å; W23-I254 HydrophobicContact CB-CD1 3.79Å; W23-I254 HydrophobicContact CG-CD1 4.44Å; L249-I254 HydrophobicContact CB-CD1 4.5Å; L249-I254 HydrophobicContact CD1-CD1 4.2Å; S250-I254 WeakPolarHBondContact O-CG1 3.42Å; S250-I254 PolarHBondContact O-N 2.75Å; S250-I254 VanDerWaalsContact O-N 3.11Å; M251-I254 HydrophobicContact CE-CG2 4.5Å; M251-I254 WeakPolarHBondContact O-CB 3.39Å; M251-I254 PolarHBondContact O-N 3.45Å; D252-I254 VanDerWaalsContact C-N 3.27Å; D252-I254 PolarHBondContact O-N 2.57Å; I254-A256 VanDerWaalsContact C-N 3.32Å; I254-A256 PolarHBondContact O-N 3.3Å; I254-I257 PolarHBondContact O-N 2.91Å; I254-E258 HydrophobicContact CG2-CG 4.32Å; I254-E258 WeakPolarHBondContact O-CG 3.11Å; I254-E258 PolarHBondContact O-N 3.46Å
255	R	96	Very high	96.6	Very high	53 Å²	53	59.2 Å²	59.2	20%	0.2	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-37.6	177	-62.5	-58.8	161.3	-149.9	-8.5	112	M251 D252 E258 N259	M251-R255 VanDerWaalsContact CE-NH2 3.34Å; M251-R255 WeakPolarHBondContact O-CG 3.34Å; M251-R255 PolarHBondContact O-N 3.27Å; D252-R255 PolarHBondContact O-N 3.3Å; R255-E258 WeakPolarHBondContact CD-OE2 3.22Å; R255-E258 IonicContact CZ-OE1 3.37Å; R255-E258 IonicContact CZ-OE2 2.69Å; R255-E258 IonicContact NE-OE2 3.14Å; R255-E258 IonicContact NH1-OE1 3.28Å; R255-E258 PolarHBondContact NH1-OE1 3.31Å; R255-E258 IonicContact NH1-OE2 2.7Å; R255-E258 PolarHBondContact NH1-OE2 3.28Å; R255-E258 PolarHBondContact O-N 2.99Å; R255-N259 WeakPolarHBondContact O-CB 3.44Å; R255-N259 VanDerWaalsContact O-CG 3.23Å; R255-N259 PolarHBondContact O-N 2.7Å; R255-N259 PolarHBondContact O-ND2 3Å
256	A	97.3	Very high	96.3	Very high	59 Å²	59	56.2 Å²	56.2	49%	0.488	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-42.9	173.1	0	0	0	0	0	112	D252 D253 I254 N259 K260	D252-A256 PolarHBondContact O-N 3.06Å; D253-A256 PolarHBondContact O-N 2.87Å; I254-A256 VanDerWaalsContact C-N 3.32Å; I254-A256 PolarHBondContact O-N 3.3Å; A256-N259 PolarHBondContact O-N 2.69Å; A256-K260 PolarHBondContact O-N 3.1Å
257	I	97.7	Very high	96	Very high	42 Å²	42	62.9 Å²	62.9	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-44.2	177	-70.8	166.8	0	0	0	111.4	A26 L249 D253 I254 K260 T261	A26-I257 HydrophobicContact CB-CG2 3.95Å; L249-I257 HydrophobicContact CD1-CD1 3.95Å; D253-I257 VanDerWaalsContact O-CG1 3.27Å; D253-I257 WeakPolarHBondContact O-CG1 3.32Å; D253-I257 PolarHBondContact O-N 3.41Å; I254-I257 PolarHBondContact O-N 2.91Å; I257-K260 PolarHBondContact O-N 3.5Å; I257-T261 VanDerWaalsContact O-CB 3.23Å; I257-T261 WeakPolarHBondContact O-CB 3.39Å; I257-T261 PolarHBondContact O-N 3.14Å; I257-T261 PolarHBondContact O-OG1 3.4Å
258	E	96.1	Very high	95.7	Very high	26 Å²	26	62.3 Å²	62.3	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-43	177.9	-74.3	176.5	170.6	0	0	111.8	N44 I254 R255 T261 K262	N44-E258 PolarHBondContact ND2-OE2 3.22Å; I254-E258 HydrophobicContact CG2-CG 4.32Å; I254-E258 WeakPolarHBondContact O-CG 3.11Å; I254-E258 PolarHBondContact O-N 3.46Å; R255-E258 WeakPolarHBondContact CD-OE2 3.22Å; R255-E258 IonicContact CZ-OE1 3.37Å; R255-E258 IonicContact CZ-OE2 2.69Å; R255-E258 IonicContact NE-OE2 3.14Å; R255-E258 IonicContact NH1-OE1 3.28Å; R255-E258 PolarHBondContact NH1-OE1 3.31Å; R255-E258 IonicContact NH1-OE2 2.7Å; R255-E258 PolarHBondContact NH1-OE2 3.28Å; R255-E258 PolarHBondContact O-N 2.99Å; E258-T261 PolarHBondContact O-N 3.22Å; E258-K262 PolarHBondContact O-N 2.97Å
259	N	95	Very high	95.4	Very high	90 Å²	90	60.7 Å²	60.7	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-47	177.1	-74.3	-18.5	0	0	0	111.3	R255 A256 T261 K262 E263	R255-N259 WeakPolarHBondContact O-CB 3.44Å; R255-N259 VanDerWaalsContact O-CG 3.23Å; R255-N259 PolarHBondContact O-N 2.7Å; R255-N259 PolarHBondContact O-ND2 3Å; A256-N259 PolarHBondContact O-N 2.69Å; N259-T261 VanDerWaalsContact C-N 3.31Å; N259-T261 PolarHBondContact O-N 3.29Å; N259-K262 WeakPolarHBondContact O-CB 3.32Å; N259-K262 PolarHBondContact O-N 3.23Å; N259-E263 PolarHBondContact O-N 3.34Å
260	K	96.5	Very high	94.9	Very high	123 Å²	123	64.3 Å²	64.3	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-40.8	174.9	-169.7	-172.9	-174.6	-129.7	0	111.9	A256 I257 K262 E263 E264	A256-K260 PolarHBondContact O-N 3.1Å; I257-K260 PolarHBondContact O-N 3.5Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 3.34Å; K260-E263 PolarHBondContact O-N 3.22Å; K260-E264 WeakPolarHBondContact CE-OE1 3.45Å; K260-E264 HydrophobicContact CG-CG 4.5Å; K260-E264 IonicContact NZ-OE1 3.39Å; K260-E264 PolarHBondContact NZ-OE1 2.77Å; K260-E264 WeakPolarHBondContact O-CG 3.29Å; K260-E264 PolarHBondContact O-N 3.23Å
261	T	95.2	Very high	94.4	Very high	6 Å²	6	66 Å²	66	4%	0.037	33%	0.334	C	S	.	.	H	α-helix	trans	-65.2	-37.6	-179.7	-61.9	0	0	0	0	111.2	A26 K30 I257 E258 N259 E263 E264 L265	A26-T261 HydrophobicContact CB-CG2 4.07Å; K30-T261 VanDerWaalsContact CE-OG1 3.29Å; K30-T261 WeakPolarHBondContact CE-OG1 3.49Å; K30-T261 HydrophobicContact CG-CG2 4.28Å; K30-T261 PolarHBondContact NZ-OG1 3.11Å; I257-T261 VanDerWaalsContact O-CB 3.23Å; I257-T261 WeakPolarHBondContact O-CB 3.39Å; I257-T261 PolarHBondContact O-N 3.14Å; I257-T261 PolarHBondContact O-OG1 3.4Å; E258-T261 PolarHBondContact O-N 3.22Å; N259-T261 VanDerWaalsContact C-N 3.31Å; N259-T261 PolarHBondContact O-N 3.29Å; T261-E263 VanDerWaalsContact C-N 3.33Å; T261-E263 PolarHBondContact O-N 3.19Å; T261-E264 PolarHBondContact O-N 3.31Å; T261-L265 HydrophobicContact CG2-CD1 3.8Å; T261-L265 HydrophobicContact CG2-CG 3.98Å; T261-L265 WeakPolarHBondContact O-CB 3.44Å; T261-L265 WeakPolarHBondContact O-CG 3.33Å; T261-L265 PolarHBondContact O-N 3.05Å
262	K	94.4	Very high	94	Very high	69 Å²	69	66.8 Å²	66.8	30%	0.3	36%	0.355	S	S	.	.	H	α-helix	trans	-55.3	-48.9	173.3	170.5	171.1	173.7	169.7	0	111.4	V41 L42 E258 N259 K260 L265 D266	V41-K262 HydrophobicContact CB-CB 4.23Å; V41-K262 HydrophobicContact CB-CD 4.16Å; V41-K262 HydrophobicContact CB-CG 4.02Å; V41-K262 HydrophobicContact CG1-CD 4.13Å; V41-K262 HydrophobicContact CG1-CG 4.46Å; V41-K262 WeakPolarHBondContact O-CD 3.47Å; V41-K262 WeakPolarHBondContact O-CE 3.07Å; V41-K262 PolarHBondContact O-NZ 2.96Å; L42-K262 PolarHBondContact O-NZ 3.3Å; E258-K262 PolarHBondContact O-N 2.97Å; N259-K262 WeakPolarHBondContact O-CB 3.32Å; N259-K262 PolarHBondContact O-N 3.23Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 3.34Å; K262-L265 PolarHBondContact O-N 3.43Å; K262-D266 PolarHBondContact O-N 2.98Å
263	E	94	Very high	93.6	Very high	130 Å²	130	64.5 Å²	64.5	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-62.8	-46.9	177.4	-63	174	175.6	0	0	112	N259 K260 T261 L265 D266 E267	N259-E263 PolarHBondContact O-N 3.34Å; K260-E263 PolarHBondContact O-N 3.22Å; T261-E263 VanDerWaalsContact C-N 3.33Å; T261-E263 PolarHBondContact O-N 3.19Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 2.82Å; E263-D266 PolarHBondContact O-N 3.1Å; E263-E267 PolarHBondContact O-N 3.25Å
264	E	94.6	Very high	93	Very high	41 Å²	41	65 Å²	65	19%	0.192	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-38.3	178.6	-73.5	177.8	178.2	0	0	112.4	K30 K260 T261 Q268	K30-E264 WeakPolarHBondContact CE-OE2 3.43Å; K30-E264 IonicContact NZ-OE2 2.94Å; K30-E264 PolarHBondContact NZ-OE2 3.21Å; K260-E264 WeakPolarHBondContact CE-OE1 3.45Å; K260-E264 HydrophobicContact CG-CG 4.5Å; K260-E264 IonicContact NZ-OE1 3.39Å; K260-E264 PolarHBondContact NZ-OE1 2.77Å; K260-E264 WeakPolarHBondContact O-CG 3.29Å; K260-E264 PolarHBondContact O-N 3.23Å; T261-E264 PolarHBondContact O-N 3.31Å; E264-Q268 VanDerWaalsContact O-CB 3.24Å; E264-Q268 WeakPolarHBondContact O-CB 3.48Å; E264-Q268 WeakPolarHBondContact O-CG 3.45Å; E264-Q268 PolarHBondContact O-N 2.92Å
265	L	93.8	Very high	92.6	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68.3	-40.3	179.4	-72	173.7	0	0	0	112	S29 K30 T33 V41 T261 K262 E263 E267 Q268 R269	S29-L265 WeakPolarHBondContact O-CD2 3.2Å; K30-L265 HydrophobicContact CG-CD2 4.23Å; T33-L265 HydrophobicContact CG2-CD2 4.02Å; V41-L265 HydrophobicContact CG2-CD1 4.08Å; T261-L265 HydrophobicContact CG2-CD1 3.8Å; T261-L265 HydrophobicContact CG2-CG 3.98Å; T261-L265 WeakPolarHBondContact O-CB 3.44Å; T261-L265 WeakPolarHBondContact O-CG 3.33Å; T261-L265 PolarHBondContact O-N 3.05Å; K262-L265 PolarHBondContact O-N 3.43Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 2.82Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.15Å; L265-Q268 PolarHBondContact O-N 2.97Å; L265-R269 WeakPolarHBondContact O-CB 3.06Å; L265-R269 PolarHBondContact O-N 3.23Å
266	D	91.6	Very high	92.2	Very high	55 Å²	55	69.7 Å²	69.7	29%	0.294	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-41	178.2	-74.6	-19.6	0	0	0	111.3	K262 E263 L270	K262-D266 PolarHBondContact O-N 2.98Å; E263-D266 PolarHBondContact O-N 3.1Å; D266-L270 WeakPolarHBondContact O-CG 3.32Å
267	E	92.6	Very high	91.6	Very high	143 Å²	143	69.6 Å²	69.6	67%	0.668	38%	0.376	S	S	*	.	H	α-helix	trans	-68.7	-52.2	173.8	-66.7	-177.1	176.4	0	0	112	E263 L265 R269 L270	E263-E267 PolarHBondContact O-N 3.25Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.15Å; E267-R269 VanDerWaalsContact C-N 3.28Å; E267-R269 PolarHBondContact O-N 2.56Å; E267-L270 PolarHBondContact O-N 3.05Å; E267-L270 VanDerWaalsContact O-N 3.1Å
268	Q	91.7	Very high	91	Very high	44 Å²	44	69.9 Å²	69.9	21%	0.206	38%	0.38	C	S	.	.	H	α-helix	trans	-60.5	-38	-175.8	-77.4	177.6	33.4	0	0	112.3	E264 L265 L270 V271	E264-Q268 VanDerWaalsContact O-CB 3.24Å; E264-Q268 WeakPolarHBondContact O-CB 3.48Å; E264-Q268 WeakPolarHBondContact O-CG 3.45Å; E264-Q268 PolarHBondContact O-N 2.92Å; L265-Q268 PolarHBondContact O-N 2.97Å; Q268-L270 PolarHBondContact O-N 3.38Å; Q268-V271 PolarHBondContact O-N 2.96Å; Q268-V271 VanDerWaalsContact O-O 3.07Å
269	R	91.1	Very high	90.2	Very high	38 Å²	38	69.4 Å²	69.4	14%	0.143	38%	0.38	C	S	.	.	H	α-helix	trans	-59.5	-31.9	178.8	-173	174.5	60.6	82.2	-3.6	112	T33 G36 E40 L265 E267	T33-R269 HydrophobicContact CG2-CB 3.67Å; T33-R269 HydrophobicContact CG2-CG 4.25Å; G36-R269 WeakPolarHBondContact CA-O 2.84Å; G36-R269 PolarHBondContact N-O 2.76Å; E40-R269 IonicContact OE1-NH2 2.84Å; L265-R269 WeakPolarHBondContact O-CB 3.06Å; L265-R269 PolarHBondContact O-N 3.23Å; E267-R269 VanDerWaalsContact C-N 3.28Å; E267-R269 PolarHBondContact O-N 2.56Å
270	L	87.7	Confident	89	Confident	126 Å²	126	70.4 Å²	70.4	66%	0.66	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.1	-176.5	-61.4	178	0	0	0	114	D266 E267 Q268	D266-L270 WeakPolarHBondContact O-CG 3.32Å; E267-L270 PolarHBondContact O-N 3.05Å; E267-L270 VanDerWaalsContact O-N 3.1Å; Q268-L270 PolarHBondContact O-N 3.38Å
271	V	88	Confident	87.2	Confident	87 Å²	87	72 Å²	72	53%	0.527	40%	0.397	S	S	.	.	S	Bend	trans	-128.6	162.2	-172.3	-58.1	0	0	0	0	112.9	G35 Q268	G35-V271 PolarHBondContact N-O 2.79Å; Q268-V271 PolarHBondContact O-N 2.96Å; Q268-V271 VanDerWaalsContact O-O 3.07Å
272	G	86.9	Confident	86.8	Confident	67 Å²	67	75.3 Å²	75.3	69%	0.691	42%	0.415	S	S	*	.	S	Bend	trans	71.3	-155.4	172.7	0	0	0	0	0	114.6	G35	G35-G272 WeakPolarHBondContact CA-O 3.24Å
273	S	89.2	Confident	86.4	Confident	83 Å²	83	75.6 Å²	75.6	58%	0.58	42%	0.421	S	S	*	.	S	Bend	trans	-100.5	162.5	178.9	61.5	0	0	0	0	111.7	G34 G35 R275	G34-S273 CarbonylContact C-O 3.59Å; G34-S273 VanDerWaalsContact C-O 3.29Å; G35-S273 PolarHBondContact N-O 3.31Å; S273-R275 WeakPolarHBondContact O-CG 3.38Å; S273-R275 PolarHBondContact O-N 2.75Å
274	I	86.3	Confident	85.9	Confident	83 Å²	83	72.6 Å²	72.6	43%	0.426	41%	0.41	S	S	.	.			trans	-55.8	138	169.2	-61	170.6	0	0	0	109.3	G34 E37	G34-I274 WeakPolarHBondContact O-CA 3.23Å; E37-I274 HydrophobicContact CG-CD1 4.4Å; E37-I274 HydrophobicContact CG-CG1 4.32Å; E37-I274 WeakPolarHBondContact OE1-CD1 3.39Å
275	R	89.4	Confident	85.4	Confident	105 Å²	105	74.5 Å²	74.5	40%	0.396	42%	0.423	S	S	.	.			trans	-125.4	162.2	-178.9	-57.6	-170.4	-175.9	164.1	-3.7	112.3	N31 T33 K80 S273	N31-R275 VanDerWaalsContact O-CB 3.3Å; N31-R275 WeakPolarHBondContact O-CB 3.33Å; T33-R275 WeakPolarHBondContact O-CD 3.41Å; K80-R275 WeakPolarHBondContact CE-O 3.2Å; K80-R275 PolarHBondContact NZ-O 3.28Å; S273-R275 WeakPolarHBondContact O-CG 3.38Å; S273-R275 PolarHBondContact O-N 2.75Å
276	G	86.7	Confident	84.9	Confident	46 Å²	46	79.1 Å²	79.1	47%	0.474	45%	0.449	S	S	.	.	S	Bend	trans	81.2	-157	169	0	0	0	0	0	114.1	N31 E32	N31-G276 WeakPolarHBondContact O-CA 3.1Å; N31-G276 PolarHBondContact O-N 3.14Å; E32-G276 WeakPolarHBondContact OE1-CA 3.34Å; E32-G276 WeakPolarHBondContact OE2-CA 3.32Å
277	T	85.8	Confident	84.5	Confident	57 Å²	57	80.7 Å²	80.7	35%	0.35	46%	0.46	S	S	.	.			trans	-82.6	138.6	-164.9	-51.4	0	0	0	0	111.7	E32	E32-T277 VanDerWaalsContact CD-N 3.3Å; E32-T277 PolarHBondContact OE1-N 3.43Å; E32-T277 PolarHBondContact OE1-OG1 3.43Å; E32-T277 PolarHBondContact OE2-N 3.22Å
278	V	84	Confident	83.9	Confident	48 Å²	48	76.3 Å²	76.3	29%	0.291	45%	0.445	S	S	.	.			trans	-108.7	134.5	170	-179.2	0	0	0	0	108.9	R230 H280	R230-V278 PolarHBondContact NH1-O 2.65Å; V278-H280 PolarHBondContact O-N 2.82Å
279	A	79.4	Confident	83.3	Confident	16 Å²	16	78.8 Å²	78.8	13%	0.132	46%	0.463	C	S	.	.			trans	-75.1	118.4	167.6	0	0	0	0	0	108.6	K80 P82 Q227	K80-A279 WeakPolarHBondContact O-CB 3.48Å; K80-A279 PolarHBondContact O-N 3.21Å; P82-A279 HydrophobicContact CG-CB 4.01Å; Q227-A279 HydrophobicContact CG-CB 4.29Å
280	H	69.3	Low	82.6	Confident	111 Å²	111	82.2 Å²	82.2	51%	0.514	49%	0.49	S	S	.	.			trans	-93.9	161.2	171.3	-63.8	-65.7	0	0	0	110.3	V278	V278-H280 PolarHBondContact O-N 2.82Å
281	D	59	Low	82.2	Confident	157 Å²	157	78.2 Å²	78.2	84%	0.84	48%	0.475	S	S	*	.			trans	-61.7	0	175.3	-74.3	-17	0	0	0	112.5	P82 Y84	P82-D281 WeakPolarHBondContact CB-OD1 3.37Å; Y84-D281 WeakPolarHBondContact CD1-OD1 3.44Å; Y84-D281 WeakPolarHBondContact CE1-OD1 3.48Å

Retrieved 281 of 281 residues in 145.8 ms (Link to these results)

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