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Bifunctional protein HldE

Catalyzes the phosphorylation of D-glycero-D-manno-heptose 7-phosphate at the C-1 position to selectively form D-glycero-beta-D-manno-heptose-1,7-bisphosphate. Catalyzes the ADP transfer from ATP to D-glycero-beta-D-manno-heptose 1-phosphate, yielding ADP-D-glycero-beta-D-manno-heptose.

AlphaFold DB , UniProt , Accession P76658, Species ECOLI (Escherichia coli (strain K12)), Gene hldE, Length 477 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	76.4	Confident	151 Å²	151	86.9 Å²	86.9	74%	0.744	41%	0.412	S	S	*	.				0	129.4	0	-149.3	167	-160.5	0	0	106.3	V3 E282	M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 HydrophobicContact CB-CG2 3.85Å; M1-V3 HydrophobicContact CG-CG2 4.43Å; M1-V3 WeakPolarHBondContact O-CG2 3.31Å; M1-V3 PolarHBondContact O-N 3.21Å; M1-E282 HydrophobicContact CE-CG 3.44Å; M1-E282 VanDerWaalsContact CE-CG 3.44Å; M1-E282 VanDerWaalsContact CE-OE1 3.24Å; M1-E282 WeakPolarHBondContact CE-OE1 3.29Å; M1-E282 HydrophobicContact SD-CG 3.76Å
2	K	45.1	Very low	78.2	Confident	124 Å²	124	80.5 Å²	80.5	54%	0.539	39%	0.387	S	S	.	.			trans	-72.1	94.9	171.4	-124.1	-176	177.7	164.9	0	104.8	T4 E340	K2-T4 VanDerWaalsContact C-N 3.29Å; K2-T4 PolarHBondContact O-N 2.93Å; K2-E340 WeakPolarHBondContact CE-OE1 3.45Å; K2-E340 IonicContact NZ-OE1 2.67Å; K2-E340 PolarHBondContact NZ-OE1 3.42Å
3	V	57.7	Low	79.7	Confident	34 Å²	34	74.3 Å²	74.3	21%	0.206	36%	0.357	C	S	.	.			trans	-85.5	83.1	-174.6	-173.5	0	0	0	0	107.2	M1 F285 F286 V312	M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 HydrophobicContact CB-CG2 3.85Å; M1-V3 HydrophobicContact CG-CG2 4.43Å; M1-V3 WeakPolarHBondContact O-CG2 3.31Å; M1-V3 PolarHBondContact O-N 3.21Å; V3-F285 HydrophobicContact CB-CE1 4.11Å; V3-F285 HydrophobicContact CG1-CD1 4.08Å; V3-F285 HydrophobicContact CG1-CE1 3.84Å; V3-F285 HydrophobicContact CG2-CD1 4.18Å; V3-F285 HydrophobicContact CG2-CE1 3.66Å; V3-F285 HydrophobicContact CG2-CZ 4.02Å; V3-F286 HydrophobicContact CB-CZ 4.43Å; V3-F286 HydrophobicContact CG1-CD1 4.13Å; V3-F286 HydrophobicContact CG1-CE1 3.1Å; V3-F286 HydrophobicContact CG1-CE2 3.89Å; V3-F286 HydrophobicContact CG1-CZ 2.97Å; V3-V312 HydrophobicContact CB-CG1 3.74Å; V3-V312 HydrophobicContact CG1-CG1 3.75Å
4	T	71.3	Confident	81.1	Confident	111 Å²	111	69 Å²	69	68%	0.681	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-70.6	135.5	161.9	44.1	0	0	0	0	107.6	K2	K2-T4 VanDerWaalsContact C-N 3.29Å; K2-T4 PolarHBondContact O-N 2.93Å
5	L	82.4	Confident	82.3	Confident	41 Å²	41	64.4 Å²	64.4	22%	0.215	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-54.7	142.2	173.2	-75.3	-177.5	0	0	0	110.3	F8 F286 P305 L308 E309	L5-F8 HydrophobicContact CD2-CE2 4.42Å; L5-F286 HydrophobicContact CD2-CD1 4.13Å; L5-F286 HydrophobicContact CD2-CE1 3.74Å; L5-P305 HydrophobicContact CD1-CB 4.13Å; L5-P305 VanDerWaalsContact CD1-O 3.32Å; L5-P305 WeakPolarHBondContact CD1-O 3.44Å; L5-L308 HydrophobicContact CD2-CB 4.3Å; L5-L308 HydrophobicContact CD2-CD2 3.89Å; L5-L308 HydrophobicContact CD2-CG 3.81Å; L5-E309 HydrophobicContact CD1-CB 3.7Å; L5-E309 HydrophobicContact CD1-CG 4.37Å; L5-E309 HydrophobicContact CG-CB 4.16Å
6	P	86.1	Confident	83.3	Confident	10 Å²	10	60.4 Å²	60.4	7%	0.065	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-57.2	151.8	170.9	-23.5	34.9	0	0	0	111.3	F8 T273 A276 N278 F286	P6-F8 HydrophobicContact CB-CD1 4Å; P6-F8 HydrophobicContact CB-CE1 3.78Å; P6-F8 HydrophobicContact CB-CE2 4.37Å; P6-F8 HydrophobicContact CB-CG 4.38Å; P6-F8 HydrophobicContact CB-CZ 3.99Å; P6-F8 HydrophobicContact CG-CD1 4.48Å; P6-F8 HydrophobicContact CG-CE1 3.77Å; P6-F8 HydrophobicContact CG-CE2 4.27Å; P6-F8 HydrophobicContact CG-CZ 3.65Å; P6-F8 WeakPolarHBondContact O-CD2 3.04Å; P6-F8 PolarHBondContact O-N 2.92Å; P6-T273 HydrophobicContact CG-CG2 3.6Å; P6-A276 HydrophobicContact CB-CB 3.68Å; P6-N278 WeakPolarHBondContact CB-OD1 3.46Å; P6-N278 WeakPolarHBondContact CG-OD1 3.1Å; P6-F286 HydrophobicContact CG-CD2 4.23Å; P6-F286 HydrophobicContact CG-CE2 3.76Å; P6-F286 HydrophobicContact CG-CZ 4.08Å
7	E	88.2	Confident	84.1	Confident	118 Å²	118	56.8 Å²	56.8	55%	0.551	27%	0.273	S	S	*	.			trans	-75.2	69.9	170.1	-65.5	-179.6	178.2	0	0	109.9	E9 R10	E7-E9 PolarHBondContact O-N 3.08Å; E7-E9 VanDerWaalsContact O-N 3.08Å; E7-R10 PolarHBondContact O-N 3.49Å; E7-R10 IonicContact OE1-NH1 3.53Å; E7-R10 VanDerWaalsContact OE2-CD 3.25Å; E7-R10 WeakPolarHBondContact OE2-CD 3.33Å; E7-R10 IonicContact OE2-CZ 3.95Å; E7-R10 IonicContact OE2-NE 3.42Å; E7-R10 PolarHBondContact OE2-NE 2.88Å; E7-R10 IonicContact OE2-NH1 2.85Å; E7-R10 PolarHBondContact OE2-NH1 3.36Å; E7-R10 IonicContact OE2-NH2 3.68Å
8	F	92.8	Very high	84.8	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.035	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.1	-30.6	-173.4	-69.4	-60	0	0	0	113.4	L5 P6 R10 A11 L63 A65 A272 L308	L5-F8 HydrophobicContact CD2-CE2 4.42Å; P6-F8 HydrophobicContact CB-CD1 4Å; P6-F8 HydrophobicContact CB-CE1 3.78Å; P6-F8 HydrophobicContact CB-CE2 4.37Å; P6-F8 HydrophobicContact CB-CG 4.38Å; P6-F8 HydrophobicContact CB-CZ 3.99Å; P6-F8 HydrophobicContact CG-CD1 4.48Å; P6-F8 HydrophobicContact CG-CE1 3.77Å; P6-F8 HydrophobicContact CG-CE2 4.27Å; P6-F8 HydrophobicContact CG-CZ 3.65Å; P6-F8 WeakPolarHBondContact O-CD2 3.04Å; P6-F8 PolarHBondContact O-N 2.92Å; F8-R10 PolarHBondContact O-N 3.29Å; F8-R10 VanDerWaalsContact O-N 3.07Å; F8-A11 VanDerWaalsContact O-CB 3.25Å; F8-A11 WeakPolarHBondContact O-CB 3.29Å; F8-A11 PolarHBondContact O-N 3.45Å; F8-L63 HydrophobicContact CB-CB 4.3Å; F8-L63 WeakPolarHBondContact CB-O 3.46Å; F8-L63 HydrophobicContact CD1-CB 4.28Å; F8-L63 HydrophobicContact CD1-CD1 4.4Å; F8-L63 HydrophobicContact CD2-CB 3.99Å; F8-L63 HydrophobicContact CD2-CD2 4.44Å; F8-L63 HydrophobicContact CE1-CD1 4.07Å; F8-L63 HydrophobicContact CE2-CB 4.35Å; F8-L63 HydrophobicContact CE2-CD2 4.02Å; F8-L63 HydrophobicContact CG-CB 3.95Å; F8-L63 HydrophobicContact CZ-CD1 4.17Å; F8-L63 HydrophobicContact CZ-CD2 4.26Å; F8-A65 HydrophobicContact CB-CB 4.34Å; F8-A65 WeakPolarHBondContact O-CA 3.41Å; F8-A65 WeakPolarHBondContact O-CB 3.44Å; F8-A272 HydrophobicContact CD1-CB 3.82Å; F8-A272 HydrophobicContact CE1-CB 3.92Å; F8-L308 HydrophobicContact CE2-CD2 4.1Å; F8-L308 HydrophobicContact CZ-CD2 4.04Å
9	E	90.8	Very high	85.5	Confident	162 Å²	162	50.9 Å²	50.9	76%	0.757	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-56.3	-25.8	176.6	-61.7	179.3	177.4	0	0	113.9	E7 G64 N66	E7-E9 PolarHBondContact O-N 3.08Å; E7-E9 VanDerWaalsContact O-N 3.08Å; E9-G64 WeakPolarHBondContact CA-O 3.35Å; E9-N66 PolarHBondContact O-ND2 2.88Å
10	R	89.5	Confident	86	Confident	197 Å²	197	49 Å²	49	74%	0.743	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-89.3	-12.8	176.9	-63.1	-175.6	177.6	169.6	-0.9	113.2	E7 F8 G12	E7-R10 PolarHBondContact O-N 3.49Å; E7-R10 IonicContact OE1-NH1 3.53Å; E7-R10 VanDerWaalsContact OE2-CD 3.25Å; E7-R10 WeakPolarHBondContact OE2-CD 3.33Å; E7-R10 IonicContact OE2-CZ 3.95Å; E7-R10 IonicContact OE2-NE 3.42Å; E7-R10 PolarHBondContact OE2-NE 2.88Å; E7-R10 IonicContact OE2-NH1 2.85Å; E7-R10 PolarHBondContact OE2-NH1 3.36Å; E7-R10 IonicContact OE2-NH2 3.68Å; F8-R10 PolarHBondContact O-N 3.29Å; F8-R10 VanDerWaalsContact O-N 3.07Å; R10-G12 PolarHBondContact O-N 3.01Å
11	A	95.7	Very high	86.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.			trans	-76.4	124.6	-179.8	0	0	0	0	0	110.3	F8 A65 N66 A272 A275 A276	F8-A11 VanDerWaalsContact O-CB 3.25Å; F8-A11 WeakPolarHBondContact O-CB 3.29Å; F8-A11 PolarHBondContact O-N 3.45Å; A11-A65 HydrophobicContact CB-CB 3.94Å; A11-N66 PolarHBondContact O-N 2.9Å; A11-N66 PolarHBondContact O-ND2 2.93Å; A11-A272 WeakPolarHBondContact CB-O 3.32Å; A11-A275 HydrophobicContact CB-CB 3.8Å; A11-A276 HydrophobicContact CB-CB 4.23Å
12	G	97.8	Very high	89	Confident	10 Å²	10	40 Å²	40	10%	0.103	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.9	166.3	0	0	0	0	0	109.9	R10 I144 G145 A146	R10-G12 PolarHBondContact O-N 3.01Å; G12-I144 CarbonylContact O-C 3.49Å; G12-I144 WeakPolarHBondContact O-CA 3.41Å; G12-I144 WeakPolarHBondContact O-CB 3.43Å; G12-G145 PolarHBondContact O-N 2.71Å; G12-A146 PolarHBondContact O-N 3.1Å
13	V	98.6	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.6	177.7	-173.8	0	0	0	0	109.6	I60 N66 R68 V148 A271 A275	V13-I60 HydrophobicContact CB-CD1 4.07Å; V13-I60 HydrophobicContact CB-CG2 3.94Å; V13-I60 HydrophobicContact CG1-CD1 3.59Å; V13-I60 HydrophobicContact CG1-CG1 4.46Å; V13-I60 HydrophobicContact CG2-CG2 4.01Å; V13-N66 PolarHBondContact N-O 3.38Å; V13-R68 PolarHBondContact O-N 2.75Å; V13-V148 HydrophobicContact CG1-CG2 3.9Å; V13-A271 HydrophobicContact CG1-CB 3.74Å; V13-A271 HydrophobicContact CG2-CB 4.36Å; V13-A275 HydrophobicContact CG2-CB 3.72Å
14	M	98.5	Very high	93.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.4	168.6	-172.8	178.3	-170.4	0	0	109.5	V16 R68 V70 R136 I137 A140 I144 A146 L147 V148	M14-V16 HydrophobicContact CE-CG2 3.83Å; M14-V16 HydrophobicContact CG-CG2 4.12Å; M14-V16 HydrophobicContact SD-CG2 4.2Å; M14-R68 CarbonylContact C-O 3.55Å; M14-R68 WeakPolarHBondContact CA-O 3.43Å; M14-V70 HydrophobicContact CE-CB 3.86Å; M14-V70 HydrophobicContact CE-CG2 3.21Å; M14-R136 HydrophobicContact CE-CB 4.28Å; M14-I137 HydrophobicContact CE-CB 4.38Å; M14-I137 HydrophobicContact CE-CG1 3.77Å; M14-I137 HydrophobicContact SD-CB 4.44Å; M14-I137 HydrophobicContact SD-CG1 4.1Å; M14-A140 HydrophobicContact CE-CB 4.33Å; M14-A140 HydrophobicContact SD-CB 3.59Å; M14-A140 VanDerWaalsContact SD-CB 3.59Å; M14-I144 HydrophobicContact CB-CD1 3.46Å; M14-I144 VanDerWaalsContact CB-CD1 3.46Å; M14-I144 HydrophobicContact CB-CG2 4.19Å; M14-I144 HydrophobicContact SD-CD1 4.3Å; M14-A146 PolarHBondContact N-O 3.16Å; M14-A146 VanDerWaalsContact N-O 3.1Å; M14-L147 HydrophobicContact CB-CD1 3.9Å; M14-L147 HydrophobicContact CG-CD1 3.95Å; M14-L147 CarbonylContact O-C 3.41Å; M14-L147 WeakPolarHBondContact O-CA 3.41Å; M14-L147 HydrophobicContact SD-CD1 4.04Å; M14-V148 PolarHBondContact O-N 3.28Å
15	V	98.7	Very high	94.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.1	169.5	-173.8	0	0	0	0	108	A53 V56 A57 I60 R68 L69 V70 V148	V15-A53 HydrophobicContact CG1-CB 4.06Å; V15-V56 HydrophobicContact CG1-CB 4.25Å; V15-V56 HydrophobicContact CG1-CG1 4.19Å; V15-V56 HydrophobicContact CG2-CG1 4.06Å; V15-A57 HydrophobicContact CB-CB 4.44Å; V15-A57 HydrophobicContact CG2-CB 4.09Å; V15-I60 HydrophobicContact CG2-CD1 3.42Å; V15-I60 VanDerWaalsContact CG2-CD1 3.42Å; V15-R68 PolarHBondContact N-O 2.77Å; V15-L69 HydrophobicContact CB-CD1 3.81Å; V15-L69 HydrophobicContact CG1-CD1 3.83Å; V15-L69 WeakPolarHBondContact O-CA 3.38Å; V15-V70 PolarHBondContact O-N 2.89Å; V15-V148 CarbonylContact C-O 3.58Å; V15-V148 WeakPolarHBondContact CA-O 3.32Å; V15-V148 HydrophobicContact CG1-CB 4.39Å; V15-V148 HydrophobicContact CG1-CG1 4.45Å; V15-V148 HydrophobicContact CG2-CB 4.25Å
16	V	98.6	Very high	94.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.7	172.1	-174.9	0	0	0	0	107.9	M14 V70 I137 L147 V148 L149 S150 L157 M163	M14-V16 HydrophobicContact CE-CG2 3.83Å; M14-V16 HydrophobicContact CG-CG2 4.12Å; M14-V16 HydrophobicContact SD-CG2 4.2Å; V16-V70 VanDerWaalsContact CA-O 3.27Å; V16-V70 WeakPolarHBondContact CA-O 3.4Å; V16-V70 HydrophobicContact CG2-CB 4.25Å; V16-I137 HydrophobicContact CG1-CD1 4.42Å; V16-I137 HydrophobicContact CG2-CD1 4Å; V16-I137 HydrophobicContact CG2-CG1 3.82Å; V16-L147 HydrophobicContact CG2-CD1 3.73Å; V16-V148 PolarHBondContact N-O 2.65Å; V16-L149 HydrophobicContact CB-CD2 3.8Å; V16-L149 HydrophobicContact CG2-CD2 4.32Å; V16-L149 CarbonylContact O-C 3.5Å; V16-L149 VanDerWaalsContact O-CA 3.28Å; V16-L149 WeakPolarHBondContact O-CA 3.47Å; V16-S150 PolarHBondContact O-N 2.7Å; V16-L157 HydrophobicContact CG1-CD2 4Å; V16-M163 HydrophobicContact CG1-CE 4.41Å; V16-M163 HydrophobicContact CG1-SD 4.12Å
17	G	97.8	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-167.8	178	0	0	0	0	0	114.7	V19 V70 G71 S150 A156	G17-V19 PolarHBondContact O-N 3.41Å; G17-V70 PolarHBondContact N-O 3.47Å; G17-V70 VanDerWaalsContact N-O 3.16Å; G17-G71 WeakPolarHBondContact O-CA 3.45Å; G17-S150 VanDerWaalsContact CA-O 3.25Å; G17-S150 WeakPolarHBondContact CA-O 3.49Å; G17-A156 WeakPolarHBondContact O-CB 3.3Å
18	D	96.8	Very high	95.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.145	C	C	.	.			trans	-76.7	106.1	178.5	-63.6	-43.1	0	0	0	109.4	A53 S150 Y152 A153 K154 G155 A156	D18-A53 WeakPolarHBondContact O-CB 3.44Å; D18-A53 PolarHBondContact O-N 3.25Å; D18-S150 PolarHBondContact N-O 3.31Å; D18-Y152 WeakPolarHBondContact OD2-CA 3.41Å; D18-Y152 PolarHBondContact OD2-N 3.38Å; D18-A153 PolarHBondContact OD2-N 3.17Å; D18-K154 HydrophobicContact CB-CB 3.93Å; D18-K154 HydrophobicContact CB-CG 4.07Å; D18-K154 VanDerWaalsContact CG-CB 3.43Å; D18-K154 WeakPolarHBondContact OD1-CB 3.42Å; D18-K154 PolarHBondContact OD2-N 3.05Å; D18-G155 PolarHBondContact OD1-N 3.16Å; D18-A156 WeakPolarHBondContact OD1-CB 3.28Å; D18-A156 PolarHBondContact OD1-N 2.89Å
19	V	97.1	Very high	95.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138.1	176.7	-64.8	0	0	0	0	110	G17 A53 L69 L72 T73 F95	G17-V19 PolarHBondContact O-N 3.41Å; V19-A53 HydrophobicContact CG1-CB 4.07Å; V19-L69 HydrophobicContact CG1-CD1 3.92Å; V19-L69 HydrophobicContact CG1-CD2 3.84Å; V19-L69 HydrophobicContact CG1-CG 4.02Å; V19-L72 VanDerWaalsContact CG2-O 3.26Å; V19-L72 WeakPolarHBondContact CG2-O 3.25Å; V19-T73 HydrophobicContact CG2-CG2 3.65Å; V19-F95 HydrophobicContact CG1-CE1 4.06Å; V19-F95 HydrophobicContact CG2-CE1 4.33Å
20	M	95.8	Very high	95.4	Very high	12 Å²	12	31 Å²	31	6%	0.059	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.3	-179.9	62.2	-170	81.9	0	0	112.4	G51 L82 I104 K106 Y152	M20-G51 PolarHBondContact N-O 2.91Å; M20-G51 WeakPolarHBondContact O-CA 3.24Å; M20-G51 PolarHBondContact O-N 3.34Å; M20-L82 WeakPolarHBondContact O-CD2 3.33Å; M20-I104 CarbonylContact C-O 3.54Å; M20-I104 WeakPolarHBondContact CA-O 3.29Å; M20-I104 HydrophobicContact CB-CB 3.84Å; M20-I104 HydrophobicContact CB-CG2 3.55Å; M20-I104 WeakPolarHBondContact CB-O 3.4Å; M20-K106 HydrophobicContact SD-CG 4.31Å; M20-Y152 HydrophobicContact CE-CD1 3.82Å; M20-Y152 HydrophobicContact CE-CD2 4.31Å; M20-Y152 HydrophobicContact CE-CE1 4.43Å; M20-Y152 HydrophobicContact CE-CG 3.75Å
21	L	96.2	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118	173.3	-175.1	66.7	0	0	0	110.4	E48 A78 A81 L82 I104 T105 K106	L21-E48 HydrophobicContact CD1-CB 4.14Å; L21-A78 HydrophobicContact CB-CB 4.31Å; L21-A78 HydrophobicContact CD2-CB 3.7Å; L21-A81 HydrophobicContact CD2-CB 4.11Å; L21-L82 HydrophobicContact CB-CD1 4.2Å; L21-L82 HydrophobicContact CB-CD2 4.06Å; L21-L82 HydrophobicContact CB-CG 3.98Å; L21-L82 HydrophobicContact CD1-CD2 3.68Å; L21-L82 HydrophobicContact CD1-CG 3.96Å; L21-L82 HydrophobicContact CG-CD2 4.5Å; L21-I104 PolarHBondContact N-O 3.48Å; L21-T105 HydrophobicContact CB-CG2 4.29Å; L21-T105 HydrophobicContact CD2-CG2 4.48Å; L21-T105 CarbonylContact O-C 3.48Å; L21-T105 WeakPolarHBondContact O-CA 3.35Å; L21-K106 PolarHBondContact O-N 3.39Å
22	D	94	Very high	95.4	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.059	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	107.6	169.2	-75.3	-48	0	0	0	109.2	Y24 R49 G51 K106 R108	D22-Y24 HydrophobicContact CB-CE2 3.83Å; D22-R49 HydrophobicContact CB-CB 4.32Å; D22-R49 PolarHBondContact N-O 3.23Å; D22-R49 PolarHBondContact O-N 3.08Å; D22-G51 WeakPolarHBondContact OD2-CA 3.49Å; D22-K106 WeakPolarHBondContact OD1-CB 3.29Å; D22-R108 VanDerWaalsContact CG-NH1 3.31Å; D22-R108 IonicContact OD1-CZ 2.86Å; D22-R108 IonicContact OD1-NH1 3.65Å; D22-R108 PolarHBondContact OD1-NH1 2.79Å; D22-R108 IonicContact OD1-NH2 3.48Å; D22-R108 PolarHBondContact OD1-NH2 2.98Å
23	R	94.9	Very high	95.3	Very high	39 Å²	39	35.1 Å²	35.1	15%	0.147	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.5	-177.6	-174.7	174.3	-81.1	169.6	-7.9	110	I46 E47 E48 D77 T105 K106 L107 R108	R23-I46 HydrophobicContact CG-CG2 4.41Å; R23-E47 CarbonylContact C-O 3.58Å; R23-E48 HydrophobicContact CG-CG 4.21Å; R23-E48 IonicContact CZ-OE1 3.7Å; R23-E48 IonicContact NE-OE1 3.86Å; R23-E48 PolarHBondContact NE-OE1 3.43Å; R23-E48 IonicContact NH2-OE1 3.17Å; R23-E48 PolarHBondContact NH2-OE1 3.07Å; R23-D77 IonicContact NH2-OD2 3.59Å; R23-D77 PolarHBondContact NH2-OD2 2.62Å; R23-T105 HydrophobicContact CB-CG2 4.24Å; R23-K106 PolarHBondContact N-O 3.29Å; R23-L107 HydrophobicContact CB-CB 4.39Å; R23-L107 HydrophobicContact CB-CG 4.37Å; R23-L107 HydrophobicContact CG-CG 4.31Å; R23-L107 CarbonylContact O-C 3.56Å; R23-L107 VanDerWaalsContact O-CA 3.28Å; R23-L107 WeakPolarHBondContact O-CA 3.37Å; R23-R108 PolarHBondContact O-N 2.8Å
24	Y	94.5	Very high	95.1	Very high	29 Å²	29	41.1 Å²	41.1	11%	0.114	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.4	-178.9	-59.9	-103.8	0	0	0	109.5	D22 I46 E47 R49 R108 L110	D22-Y24 HydrophobicContact CB-CE2 3.83Å; Y24-I46 WeakPolarHBondContact O-CA 3.29Å; Y24-E47 PolarHBondContact N-O 3.36Å; Y24-E47 PolarHBondContact O-N 3.18Å; Y24-R49 HydrophobicContact CE2-CG 4.35Å; Y24-R108 CarbonylContact C-O 3.56Å; Y24-R108 WeakPolarHBondContact CA-O 3.36Å; Y24-R108 HydrophobicContact CD1-CB 4.15Å; Y24-R108 HydrophobicContact CE1-CB 4.45Å; Y24-R108 VanDerWaalsContact CE1-CD 3.46Å; Y24-L110 HydrophobicContact CD1-CD1 3.76Å; Y24-L110 HydrophobicContact CG-CD1 4.42Å
25	W	96	Very high	95	Very high	81 Å²	81	49.9 Å²	49.9	31%	0.307	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.2	175.2	-73.3	-0.6	0	0	0	109.3	V43 L107 R108 V109 L110	W25-V43 HydrophobicContact CB-CG1 3.96Å; W25-V43 HydrophobicContact CB-CG2 4.07Å; W25-V43 HydrophobicContact CD2-CG2 4.48Å; W25-V43 HydrophobicContact CE3-CG2 4.21Å; W25-V43 HydrophobicContact CG-CG1 4.15Å; W25-V43 HydrophobicContact CG-CG2 4.48Å; W25-L107 HydrophobicContact CD2-CD1 3.98Å; W25-L107 HydrophobicContact CD2-CD2 4Å; W25-L107 HydrophobicContact CD2-CG 4.25Å; W25-L107 HydrophobicContact CE3-CD1 4.14Å; W25-L107 HydrophobicContact CE3-CD2 3.96Å; W25-L107 HydrophobicContact CG-CD2 4.32Å; W25-L107 HydrophobicContact CH2-CD1 3.78Å; W25-L107 HydrophobicContact CZ2-CD1 3.61Å; W25-L107 HydrophobicContact CZ3-CD1 4.04Å; W25-L107 HydrophobicContact CZ3-CD2 4.45Å; W25-R108 PolarHBondContact N-O 2.83Å; W25-V109 HydrophobicContact CB-CG2 4.41Å; W25-V109 HydrophobicContact CE3-CG2 4.33Å; W25-V109 CarbonylContact O-C 3.6Å; W25-V109 WeakPolarHBondContact O-CA 3.41Å; W25-L110 PolarHBondContact O-N 3.05Å
26	Y	95.1	Very high	94.8	Very high	61 Å²	61	52 Å²	52	24%	0.239	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141	179.1	-54.5	-93.1	0	0	0	110.4	V43 N44 T45 E47 L110	Y26-V43 CarbonylContact O-C 3.48Å; Y26-V43 WeakPolarHBondContact O-CA 3.19Å; Y26-N44 PolarHBondContact O-N 2.87Å; Y26-N44 PolarHBondContact O-OD1 2.98Å; Y26-T45 HydrophobicContact CD2-CG2 4.17Å; Y26-T45 PolarHBondContact N-O 3.28Å; Y26-T45 PolarHBondContact O-N 3.26Å; Y26-E47 HydrophobicContact CE2-CB 3.87Å; Y26-E47 WeakPolarHBondContact CE2-OE2 3.24Å; Y26-E47 PolarHBondContact OH-OE2 3.49Å; Y26-L110 WeakPolarHBondContact CA-O 3.41Å; Y26-L110 HydrophobicContact CD1-CB 3.77Å; Y26-L110 HydrophobicContact CD1-CD1 4.25Å; Y26-L110 HydrophobicContact CD1-CD2 4.48Å; Y26-L110 HydrophobicContact CD1-CG 4.39Å; Y26-L110 HydrophobicContact CE1-CB 4.11Å; Y26-L110 HydrophobicContact CE1-CD1 3.99Å; Y26-L110 HydrophobicContact CE1-CD2 3.97Å; Y26-L110 HydrophobicContact CE1-CG 4.24Å
27	G	94.7	Very high	94.6	Very high	8 Å²	8	58 Å²	58	8%	0.082	31%	0.312	C	S	.	.			trans	-177.2	155.2	172.5	0	0	0	0	0	112.8	K42 L110 S111	G27-K42 VanDerWaalsContact CA-O 3.25Å; G27-K42 WeakPolarHBondContact CA-O 3.35Å; G27-L110 PolarHBondContact N-O 3.3Å; G27-S111 VanDerWaalsContact O-CA 3.28Å; G27-S111 WeakPolarHBondContact O-CA 3.25Å; G27-S111 VanDerWaalsContact O-CB 3.22Å; G27-S111 WeakPolarHBondContact O-CB 3.5Å; G27-S111 PolarHBondContact O-OG 2.8Å
28	P	94.4	Very high	94.4	Very high	61 Å²	61	61.6 Å²	61.6	40%	0.396	33%	0.334	S	S	.	.			trans	-71.4	143.6	175.3	29.6	-34.8	0	0	0	111.9	K42	P28-K42 WeakPolarHBondContact CD-O 3.33Å; P28-K42 PolarHBondContact O-N 3.36Å
29	T	91.2	Very high	94.3	Very high	38 Å²	38	65 Å²	65	23%	0.233	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	96.9	165.4	42.4	0	0	0	0	110	P39 V41 S111 L116	T29-P39 HydrophobicContact CG2-CB 3.77Å; T29-V41 HydrophobicContact CG2-CB 4.47Å; T29-V41 HydrophobicContact CG2-CG2 3.62Å; T29-S111 PolarHBondContact N-OG 2.86Å; T29-S111 PolarHBondContact OG1-OG 3.02Å; T29-L116 HydrophobicContact CG2-CD1 3.56Å
30	S	87.4	Confident	94.1	Very high	101 Å²	101	66.9 Å²	66.9	71%	0.706	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	-11.7	-176.8	69	0	0	0	0	114.3
31	R	92.8	Very high	94.1	Very high	163 Å²	163	68.1 Å²	68.1	62%	0.615	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.1	-178.6	69.2	179.5	-174.1	-118.4	2.5	111.9	V40	R31-V40 HydrophobicContact CG-CB 3.98Å; R31-V40 HydrophobicContact CG-CG2 4.23Å; R31-V40 PolarHBondContact O-N 2.91Å
32	I	92.9	Very high	94	Very high	108 Å²	108	75.8 Å²	75.8	55%	0.554	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	147.8	166.1	-60.3	-58.2	0	0	0	108.9
33	S	95.1	Very high	94.1	Very high	24 Å²	24	78 Å²	78	17%	0.168	42%	0.423	C	S	.	.			trans	-66.2	139	177.2	178.4	0	0	0	0	110.8	E35 A36 V38	S33-E35 PolarHBondContact O-N 3.39Å; S33-E35 PolarHBondContact OG-N 3.08Å; S33-E35 VanDerWaalsContact OG-N 3.17Å; S33-A36 WeakPolarHBondContact CB-O 3.37Å; S33-V38 PolarHBondContact N-O 2.96Å
34	P	94.7	Very high	94.1	Very high	125 Å²	125	81.5 Å²	81.5	81%	0.812	44%	0.444	S	S	*	.	S	Bend	trans	-72.1	-14	171	30.6	-34.4	0	0	0	112.9
35	E	96.5	Very high	94.1	Very high	184 Å²	184	83.7 Å²	83.7	86%	0.86	46%	0.46	S	S	*	.	S	Bend	trans	-91.8	-28.2	-176.1	-63.1	171	-171.9	0	0	112.9	S33	S33-E35 PolarHBondContact O-N 3.39Å; S33-E35 PolarHBondContact OG-N 3.08Å; S33-E35 VanDerWaalsContact OG-N 3.17Å
36	A	94.7	Very high	94	Very high	44 Å²	44	84.6 Å²	84.6	36%	0.364	47%	0.471	S	S	.	.	S	Bend	trans	-157.3	154.8	-179.5	0	0	0	0	0	110	S33 V38	S33-A36 WeakPolarHBondContact CB-O 3.37Å; A36-V38 HydrophobicContact CB-CG2 4.11Å; A36-V38 PolarHBondContact O-N 3.43Å
37	P	93.7	Very high	94	Very high	127 Å²	127	84.7 Å²	84.7	83%	0.825	47%	0.473	S	S	*	.	S	Bend	trans	-74.8	55.7	-179.7	33.2	-37.4	0	0	0	112.6
38	V	94.5	Very high	93.9	Very high	75 Å²	75	87.3 Å²	87.3	46%	0.455	48%	0.483	S	S	.	.	S	Bend	trans	-126.2	151.3	-178.2	-61	0	0	0	0	111.5	S33 A36	S33-V38 PolarHBondContact N-O 2.96Å; A36-V38 HydrophobicContact CB-CG2 4.11Å; A36-V38 PolarHBondContact O-N 3.43Å
39	P	93.2	Very high	93.8	Very high	73 Å²	73	87.2 Å²	87.2	47%	0.474	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	142.6	177.5	-19.6	32.3	0	0	0	112.9	T29	T29-P39 HydrophobicContact CG2-CB 3.77Å
40	V	94.5	Very high	94	Very high	41 Å²	41	85.8 Å²	85.8	25%	0.248	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.2	167.3	179.8	0	0	0	0	109.3	R31	R31-V40 HydrophobicContact CG-CB 3.98Å; R31-V40 HydrophobicContact CG-CG2 4.23Å; R31-V40 PolarHBondContact O-N 2.91Å
41	V	94.8	Very high	94.3	Very high	37 Å²	37	81 Å²	81	22%	0.224	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121	175.8	-173.7	0	0	0	0	109.1	T29 V43 V109 L116	T29-V41 HydrophobicContact CG2-CB 4.47Å; T29-V41 HydrophobicContact CG2-CG2 3.62Å; V41-V43 HydrophobicContact CG1-CG2 4.3Å; V41-V43 PolarHBondContact O-N 2.97Å; V41-V109 HydrophobicContact CB-CG1 4.14Å; V41-V109 HydrophobicContact CG1-CG1 3.89Å; V41-V109 HydrophobicContact CG2-CG1 3.83Å; V41-L116 HydrophobicContact CG2-CD1 3.48Å; V41-L116 VanDerWaalsContact CG2-CD1 3.48Å
42	K	95.3	Very high	94.3	Very high	162 Å²	162	73.5 Å²	73.5	70%	0.704	41%	0.406	S	S	*	.			trans	-89	92.6	169	-177.1	179.9	177	-178.7	0	108.9	G27 P28 N44	G27-K42 VanDerWaalsContact CA-O 3.25Å; G27-K42 WeakPolarHBondContact CA-O 3.35Å; P28-K42 WeakPolarHBondContact CD-O 3.33Å; P28-K42 PolarHBondContact O-N 3.36Å; K42-N44 PolarHBondContact O-N 3.43Å
43	V	95	Very high	94.6	Very high	57 Å²	57	68.3 Å²	68.3	35%	0.345	38%	0.38	S	S	.	.			trans	-60.2	127.8	179.5	-176.2	0	0	0	0	110	W25 Y26 V41 I46	W25-V43 HydrophobicContact CB-CG1 3.96Å; W25-V43 HydrophobicContact CB-CG2 4.07Å; W25-V43 HydrophobicContact CD2-CG2 4.48Å; W25-V43 HydrophobicContact CE3-CG2 4.21Å; W25-V43 HydrophobicContact CG-CG1 4.15Å; W25-V43 HydrophobicContact CG-CG2 4.48Å; Y26-V43 CarbonylContact O-C 3.48Å; Y26-V43 WeakPolarHBondContact O-CA 3.19Å; V41-V43 HydrophobicContact CG1-CG2 4.3Å; V41-V43 PolarHBondContact O-N 2.97Å; V43-I46 HydrophobicContact CG1-CG1 4.06Å
44	N	94.5	Very high	94.7	Very high	113 Å²	113	67.2 Å²	67.2	60%	0.604	37%	0.372	S	S	*	.			trans	-128.2	-18	178.4	65.1	-9.7	0	0	0	113.5	Y26 K42	Y26-N44 PolarHBondContact O-N 2.87Å; Y26-N44 PolarHBondContact O-OD1 2.98Å; K42-N44 PolarHBondContact O-N 3.43Å
45	T	95.3	Very high	94.8	Very high	74 Å²	74	61.2 Å²	61.2	45%	0.454	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.1	175	-54.8	0	0	0	0	109.3	Y26	Y26-T45 HydrophobicContact CD2-CG2 4.17Å; Y26-T45 PolarHBondContact N-O 3.28Å; Y26-T45 PolarHBondContact O-N 3.26Å
46	I	94.8	Very high	94.8	Very high	101 Å²	101	52.5 Å²	52.5	52%	0.518	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130	171.3	-60.4	178	0	0	0	106.8	R23 Y24 V43 E48	R23-I46 HydrophobicContact CG-CG2 4.41Å; Y24-I46 WeakPolarHBondContact O-CA 3.29Å; V43-I46 HydrophobicContact CG1-CG1 4.06Å; I46-E48 HydrophobicContact CG2-CG 4.21Å
47	E	93.2	Very high	95	Very high	62 Å²	62	50.4 Å²	50.4	29%	0.29	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.5	174.2	-172.9	-176.6	-177.8	0	0	109.2	R23 Y24 Y26 R49	R23-E47 CarbonylContact C-O 3.58Å; Y24-E47 PolarHBondContact N-O 3.36Å; Y24-E47 PolarHBondContact O-N 3.18Å; Y26-E47 HydrophobicContact CE2-CB 3.87Å; Y26-E47 WeakPolarHBondContact CE2-OE2 3.24Å; Y26-E47 PolarHBondContact OH-OE2 3.49Å; E47-R49 HydrophobicContact CG-CG 4.44Å; E47-R49 IonicContact OE1-CZ 3.01Å; E47-R49 IonicContact OE1-NE 2.77Å; E47-R49 PolarHBondContact OE1-NE 3.07Å; E47-R49 IonicContact OE1-NH2 3.91Å; E47-R49 PolarHBondContact OE1-NH2 3.24Å; E47-R49 IonicContact OE2-NE 2.97Å; E47-R49 IonicContact OE2-NH2 2.83Å; E47-R49 PolarHBondContact OE2-NH2 2.9Å
48	E	93.6	Very high	95.1	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.299	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.1	-172.9	-70.8	-175.3	151.4	0	0	108.9	L21 R23 I46 A81	L21-E48 HydrophobicContact CD1-CB 4.14Å; R23-E48 HydrophobicContact CG-CG 4.21Å; R23-E48 IonicContact CZ-OE1 3.7Å; R23-E48 IonicContact NE-OE1 3.86Å; R23-E48 PolarHBondContact NE-OE1 3.43Å; R23-E48 IonicContact NH2-OE1 3.17Å; R23-E48 PolarHBondContact NH2-OE1 3.07Å; I46-E48 HydrophobicContact CG2-CG 4.21Å; E48-A81 WeakPolarHBondContact OE2-CB 3.35Å
49	R	92.1	Very high	95.2	Very high	59 Å²	59	42 Å²	42	22%	0.223	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.1	-175.8	-61.1	-175.5	-177.2	179.2	2.2	110.2	D22 Y24 E47 G51	D22-R49 HydrophobicContact CB-CB 4.32Å; D22-R49 PolarHBondContact N-O 3.23Å; D22-R49 PolarHBondContact O-N 3.08Å; Y24-R49 HydrophobicContact CE2-CG 4.35Å; E47-R49 HydrophobicContact CG-CG 4.44Å; E47-R49 IonicContact OE1-CZ 3.01Å; E47-R49 IonicContact OE1-NE 2.77Å; E47-R49 PolarHBondContact OE1-NE 3.07Å; E47-R49 IonicContact OE1-NH2 3.91Å; E47-R49 PolarHBondContact OE1-NH2 3.24Å; E47-R49 IonicContact OE2-NE 2.97Å; E47-R49 IonicContact OE2-NH2 2.83Å; E47-R49 PolarHBondContact OE2-NH2 2.9Å; R49-G51 PolarHBondContact O-N 3.29Å
50	P	94.8	Very high	95.5	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.2	170.5	-19	32.6	0	0	0	111	A54 M58 L82 L86	P50-A54 HydrophobicContact CB-CB 3.6Å; P50-M58 HydrophobicContact CB-CE 3.89Å; P50-M58 HydrophobicContact CB-SD 3.93Å; P50-M58 HydrophobicContact CG-CE 4.08Å; P50-M58 HydrophobicContact CG-SD 3.62Å; P50-M58 WeakPolarHBondContact O-CE 3.44Å; P50-L82 HydrophobicContact CB-CD2 3.97Å; P50-L82 HydrophobicContact CG-CD2 4.42Å; P50-L86 HydrophobicContact CB-CD2 3.87Å; P50-L86 HydrophobicContact CB-CG 4.19Å; P50-L86 HydrophobicContact CG-CD2 3.94Å; P50-L86 HydrophobicContact CG-CG 4.05Å
51	G	93.7	Very high	95.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	171.7	-179.8	0	0	0	0	0	112.8	M20 D22 R49 A54	M20-G51 PolarHBondContact N-O 2.91Å; M20-G51 WeakPolarHBondContact O-CA 3.24Å; M20-G51 PolarHBondContact O-N 3.34Å; D22-G51 WeakPolarHBondContact OD2-CA 3.49Å; R49-G51 PolarHBondContact O-N 3.29Å; G51-A54 VanDerWaalsContact O-CB 3.3Å; G51-A54 WeakPolarHBondContact O-CB 3.34Å; G51-A54 PolarHBondContact O-N 3.4Å
52	G	94.6	Very high	95.5	Very high	4 Å²	4	37 Å²	37	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.9	-135.9	-177.7	0	0	0	0	0	112.3	A54 N55 V56	G52-A54 PolarHBondContact O-N 3.29Å; G52-N55 WeakPolarHBondContact O-CB 3.34Å; G52-N55 PolarHBondContact O-N 3.42Å; G52-V56 PolarHBondContact O-N 3.3Å
53	A	97.6	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-55.6	-24.8	177	0	0	0	0	0	113.3	V15 D18 V19 V56 A57 L69	V15-A53 HydrophobicContact CG1-CB 4.06Å; D18-A53 WeakPolarHBondContact O-CB 3.44Å; D18-A53 PolarHBondContact O-N 3.25Å; V19-A53 HydrophobicContact CG1-CB 4.07Å; A53-V56 PolarHBondContact O-N 3.06Å; A53-A57 PolarHBondContact O-N 3.01Å; A53-A57 VanDerWaalsContact O-N 3.17Å; A53-L69 HydrophobicContact CB-CD1 4.05Å
54	A	97.6	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.1	-36.3	175.7	0	0	0	0	0	112.6	P50 G51 G52 A57 M58 L69 L86	P50-A54 HydrophobicContact CB-CB 3.6Å; G51-A54 VanDerWaalsContact O-CB 3.3Å; G51-A54 WeakPolarHBondContact O-CB 3.34Å; G51-A54 PolarHBondContact O-N 3.4Å; G52-A54 PolarHBondContact O-N 3.29Å; A54-A57 PolarHBondContact O-N 2.9Å; A54-M58 WeakPolarHBondContact O-CG 3.5Å; A54-M58 PolarHBondContact O-N 3.23Å; A54-L69 HydrophobicContact CB-CD2 3.82Å; A54-L86 HydrophobicContact CB-CD1 4.13Å; A54-L86 HydrophobicContact CB-CD2 4.19Å
55	N	96.1	Very high	95.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.2	-35.9	176.2	-172.6	40.9	0	0	0	112.1	G52 M58 N59 D264	G52-N55 WeakPolarHBondContact O-CB 3.34Å; G52-N55 PolarHBondContact O-N 3.42Å; N55-M58 HydrophobicContact CB-CE 4.31Å; N55-M58 PolarHBondContact O-N 2.89Å; N55-M58 WeakPolarHBondContact OD1-CE 3.16Å; N55-N59 PolarHBondContact O-N 3.49Å; N55-N59 PolarHBondContact O-ND2 2.9Å; N55-D264 HydrophobicContact CB-CB 4.41Å; N55-D264 WeakPolarHBondContact ND2-CB 3.39Å; N55-D264 PolarHBondContact ND2-OD2 2.96Å
56	V	97.7	Very high	95.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.3	-47.7	171.2	179.5	0	0	0	0	110.7	V15 G52 A53 M58 N59 I60 V148 D264 I267	V15-V56 HydrophobicContact CG1-CB 4.25Å; V15-V56 HydrophobicContact CG1-CG1 4.19Å; V15-V56 HydrophobicContact CG2-CG1 4.06Å; G52-V56 PolarHBondContact O-N 3.3Å; A53-V56 PolarHBondContact O-N 3.06Å; V56-M58 VanDerWaalsContact C-N 3.34Å; V56-M58 PolarHBondContact O-N 3.34Å; V56-N59 PolarHBondContact O-N 2.88Å; V56-I60 HydrophobicContact CG1-CD1 4.11Å; V56-I60 WeakPolarHBondContact O-CG1 3.26Å; V56-I60 PolarHBondContact O-N 3.21Å; V56-I60 VanDerWaalsContact O-N 3.12Å; V56-V148 HydrophobicContact CG1-CG1 4.07Å; V56-D264 HydrophobicContact CG2-CB 3.73Å; V56-D264 WeakPolarHBondContact CG2-OD1 3.35Å; V56-I267 HydrophobicContact CG1-CG2 3.85Å; V56-I267 HydrophobicContact CG2-CG2 3.94Å
57	A	98.1	Very high	95.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-37.6	178.5	0	0	0	0	0	112.7	V15 A53 A54 I60 A61 A67 L69 V91	V15-A57 HydrophobicContact CB-CB 4.44Å; V15-A57 HydrophobicContact CG2-CB 4.09Å; A53-A57 PolarHBondContact O-N 3.01Å; A53-A57 VanDerWaalsContact O-N 3.17Å; A54-A57 PolarHBondContact O-N 2.9Å; A57-I60 PolarHBondContact O-N 3.16Å; A57-A61 PolarHBondContact O-N 3.02Å; A57-A67 HydrophobicContact CB-CB 4.45Å; A57-A67 WeakPolarHBondContact O-CB 3.09Å; A57-L69 HydrophobicContact CB-CB 4.02Å; A57-L69 HydrophobicContact CB-CD1 4.18Å; A57-L69 HydrophobicContact CB-CD2 4.29Å; A57-L69 HydrophobicContact CB-CG 4.39Å; A57-V91 HydrophobicContact CB-CG1 3.77Å; A57-V91 HydrophobicContact CB-CG2 4.17Å; A57-V91 WeakPolarHBondContact O-CG2 3.38Å
58	M	96.5	Very high	96	Very high	25 Å²	25	19 Å²	19	12%	0.123	11%	0.109	C	C	.	.	H	α-helix	trans	-62.5	-40.7	173.6	-69.4	-164.1	-59.7	0	0	112.3	P50 A54 N55 V56 I60 A61 S62 L86 V89 T302	P50-M58 HydrophobicContact CB-CE 3.89Å; P50-M58 HydrophobicContact CB-SD 3.93Å; P50-M58 HydrophobicContact CG-CE 4.08Å; P50-M58 HydrophobicContact CG-SD 3.62Å; P50-M58 WeakPolarHBondContact O-CE 3.44Å; A54-M58 WeakPolarHBondContact O-CG 3.5Å; A54-M58 PolarHBondContact O-N 3.23Å; N55-M58 HydrophobicContact CB-CE 4.31Å; N55-M58 PolarHBondContact O-N 2.89Å; N55-M58 WeakPolarHBondContact OD1-CE 3.16Å; V56-M58 VanDerWaalsContact C-N 3.34Å; V56-M58 PolarHBondContact O-N 3.34Å; M58-I60 VanDerWaalsContact C-N 3.3Å; M58-I60 PolarHBondContact O-N 3.48Å; M58-A61 PolarHBondContact O-N 3.24Å; M58-S62 WeakPolarHBondContact O-CB 3.4Å; M58-S62 PolarHBondContact O-N 3.49Å; M58-S62 PolarHBondContact O-OG 3.25Å; M58-L86 HydrophobicContact CG-CD2 3.69Å; M58-L86 HydrophobicContact SD-CD2 4.34Å; M58-V89 HydrophobicContact CG-CG2 3.99Å; M58-V89 HydrophobicContact SD-CG2 4.3Å; M58-T302 HydrophobicContact CB-CG2 4.08Å
59	N	96.9	Very high	96.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-33.6	176.2	-88	-76.2	0	0	0	113	N55 V56 S62 L63 T265 T302	N55-N59 PolarHBondContact O-N 3.49Å; N55-N59 PolarHBondContact O-ND2 2.9Å; V56-N59 PolarHBondContact O-N 2.88Å; N59-S62 PolarHBondContact O-OG 3.17Å; N59-L63 WeakPolarHBondContact O-CG 3.41Å; N59-T265 PolarHBondContact OD1-OG1 2.9Å; N59-T302 WeakPolarHBondContact OD1-CA 3.38Å
60	I	97.9	Very high	96.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.1	-48.6	173.5	-67.7	156.9	0	0	0	110.1	V13 V15 V56 A57 M58 S62 L63 A65 A67 G268 A272	V13-I60 HydrophobicContact CB-CD1 4.07Å; V13-I60 HydrophobicContact CB-CG2 3.94Å; V13-I60 HydrophobicContact CG1-CD1 3.59Å; V13-I60 HydrophobicContact CG1-CG1 4.46Å; V13-I60 HydrophobicContact CG2-CG2 4.01Å; V15-I60 HydrophobicContact CG2-CD1 3.42Å; V15-I60 VanDerWaalsContact CG2-CD1 3.42Å; V56-I60 HydrophobicContact CG1-CD1 4.11Å; V56-I60 WeakPolarHBondContact O-CG1 3.26Å; V56-I60 PolarHBondContact O-N 3.21Å; V56-I60 VanDerWaalsContact O-N 3.12Å; A57-I60 PolarHBondContact O-N 3.16Å; M58-I60 VanDerWaalsContact C-N 3.3Å; M58-I60 PolarHBondContact O-N 3.48Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.34Å; I60-L63 WeakPolarHBondContact O-CB 3.28Å; I60-L63 PolarHBondContact O-N 3.25Å; I60-A65 HydrophobicContact CG2-CB 3.72Å; I60-A65 PolarHBondContact O-N 3.43Å; I60-A67 HydrophobicContact CB-CB 4.05Å; I60-A67 HydrophobicContact CG2-CB 3.76Å; I60-G268 WeakPolarHBondContact CG1-O 3.45Å; I60-A272 HydrophobicContact CG2-CB 4.48Å
61	A	96.9	Very high	96.6	Very high	14 Å²	14	12.8 Å²	12.8	12%	0.116	8%	0.081	C	C	.	.	H	α-helix	trans	-65.4	-34.2	-178.4	0	0	0	0	0	112.6	A57 M58 L63 G64 A67 V89 V91	A57-A61 PolarHBondContact O-N 3.02Å; M58-A61 PolarHBondContact O-N 3.24Å; A61-L63 PolarHBondContact O-N 3.49Å; A61-G64 PolarHBondContact O-N 2.87Å; A61-A67 HydrophobicContact CB-CB 4.09Å; A61-V89 WeakPolarHBondContact CB-O 3.43Å; A61-V91 HydrophobicContact CB-CG2 3.64Å
62	S	94.4	Very high	96.8	Very high	33 Å²	33	13 Å²	13	23%	0.231	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-24.1	178.3	69.9	0	0	0	0	113.3	M58 N59 I60 G64 T302 V303 P305	M58-S62 WeakPolarHBondContact O-CB 3.4Å; M58-S62 PolarHBondContact O-N 3.49Å; M58-S62 PolarHBondContact O-OG 3.25Å; N59-S62 PolarHBondContact O-OG 3.17Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.34Å; S62-G64 VanDerWaalsContact C-N 3.25Å; S62-T302 WeakPolarHBondContact CB-OG1 3.33Å; S62-T302 WeakPolarHBondContact OG-CB 3.31Å; S62-V303 WeakPolarHBondContact CB-O 3.39Å; S62-V303 PolarHBondContact OG-O 3.2Å; S62-P305 WeakPolarHBondContact O-CD 3.36Å
63	L	94.1	Very high	96.9	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.5	173	-65.3	169.1	0	0	0	113.1	F8 N59 I60 A61 V269 A272 V303 P305 L308	F8-L63 HydrophobicContact CB-CB 4.3Å; F8-L63 WeakPolarHBondContact CB-O 3.46Å; F8-L63 HydrophobicContact CD1-CB 4.28Å; F8-L63 HydrophobicContact CD1-CD1 4.4Å; F8-L63 HydrophobicContact CD2-CB 3.99Å; F8-L63 HydrophobicContact CD2-CD2 4.44Å; F8-L63 HydrophobicContact CE1-CD1 4.07Å; F8-L63 HydrophobicContact CE2-CB 4.35Å; F8-L63 HydrophobicContact CE2-CD2 4.02Å; F8-L63 HydrophobicContact CG-CB 3.95Å; F8-L63 HydrophobicContact CZ-CD1 4.17Å; F8-L63 HydrophobicContact CZ-CD2 4.26Å; N59-L63 WeakPolarHBondContact O-CG 3.41Å; I60-L63 WeakPolarHBondContact O-CB 3.28Å; I60-L63 PolarHBondContact O-N 3.25Å; A61-L63 PolarHBondContact O-N 3.49Å; L63-V269 HydrophobicContact CD1-CB 4.33Å; L63-V269 HydrophobicContact CD1-CG2 3.88Å; L63-A272 HydrophobicContact CD1-CB 3.79Å; L63-V303 HydrophobicContact CD2-CG1 3.97Å; L63-P305 WeakPolarHBondContact O-CG 3.45Å; L63-L308 HydrophobicContact CD2-CD2 3.87Å
64	G	93.3	Very high	96.9	Very high	38 Å²	38	12.9 Å²	12.9	39%	0.392	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	2.3	-173.6	0	0	0	0	0	114.4	E9 A61 S62	E9-G64 WeakPolarHBondContact CA-O 3.35Å; A61-G64 PolarHBondContact O-N 2.87Å; S62-G64 VanDerWaalsContact C-N 3.25Å
65	A	96.2	Very high	96.8	Very high	7 Å²	7	18.8 Å²	18.8	6%	0.058	11%	0.111	C	C	.	.			trans	-78.8	154.4	178.4	0	0	0	0	0	113.1	F8 A11 I60 A67 A272	F8-A65 HydrophobicContact CB-CB 4.34Å; F8-A65 WeakPolarHBondContact O-CA 3.41Å; F8-A65 WeakPolarHBondContact O-CB 3.44Å; A11-A65 HydrophobicContact CB-CB 3.94Å; I60-A65 HydrophobicContact CG2-CB 3.72Å; I60-A65 PolarHBondContact O-N 3.43Å; A65-A67 PolarHBondContact O-N 2.99Å; A65-A67 VanDerWaalsContact O-N 3.11Å; A65-A272 HydrophobicContact CB-CB 4.21Å
66	N	97.2	Very high	96.9	Very high	101 Å²	101	21 Å²	21	54%	0.54	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	98	179	-60.1	-80	0	0	0	110	E9 A11 V13	E9-N66 PolarHBondContact O-ND2 2.88Å; A11-N66 PolarHBondContact O-N 2.9Å; A11-N66 PolarHBondContact O-ND2 2.93Å; V13-N66 PolarHBondContact N-O 3.38Å
67	A	98	Very high	96.8	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.033	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.7	178.2	0	0	0	0	0	111.8	A57 I60 A61 A65 V91 K92	A57-A67 HydrophobicContact CB-CB 4.45Å; A57-A67 WeakPolarHBondContact O-CB 3.09Å; I60-A67 HydrophobicContact CB-CB 4.05Å; I60-A67 HydrophobicContact CG2-CB 3.76Å; A61-A67 HydrophobicContact CB-CB 4.09Å; A65-A67 PolarHBondContact O-N 2.99Å; A65-A67 VanDerWaalsContact O-N 3.11Å; A67-V91 HydrophobicContact CB-CG1 4.5Å; A67-V91 HydrophobicContact CB-CG2 4.19Å; A67-K92 PolarHBondContact O-N 3.18Å
68	R	98	Very high	96.7	Very high	38 Å²	38	25 Å²	25	14%	0.143	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.1	168	-175	178.6	-176.4	173.5	-3.3	109.5	V13 M14 V15 K92 D94	V13-R68 PolarHBondContact O-N 2.75Å; M14-R68 CarbonylContact C-O 3.55Å; M14-R68 WeakPolarHBondContact CA-O 3.43Å; V15-R68 PolarHBondContact N-O 2.77Å; R68-K92 WeakPolarHBondContact CA-O 3.38Å; R68-K92 HydrophobicContact CG-CD 4.44Å; R68-K92 HydrophobicContact CG-CG 4.5Å; R68-D94 HydrophobicContact CG-CB 4.4Å; R68-D94 IonicContact CZ-OD2 3.94Å; R68-D94 IonicContact NE-OD2 3.98Å; R68-D94 PolarHBondContact NE-OD2 3.33Å; R68-D94 IonicContact NH2-OD2 3.59Å; R68-D94 PolarHBondContact NH2-OD2 3.35Å
69	L	98.5	Very high	96.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126	-178.3	178.7	65.4	0	0	0	110.9	V15 V19 A53 A54 A57 L86 V91 K92 D94 F95	V15-L69 HydrophobicContact CB-CD1 3.81Å; V15-L69 HydrophobicContact CG1-CD1 3.83Å; V15-L69 WeakPolarHBondContact O-CA 3.38Å; V19-L69 HydrophobicContact CG1-CD1 3.92Å; V19-L69 HydrophobicContact CG1-CD2 3.84Å; V19-L69 HydrophobicContact CG1-CG 4.02Å; A53-L69 HydrophobicContact CB-CD1 4.05Å; A54-L69 HydrophobicContact CB-CD2 3.82Å; A57-L69 HydrophobicContact CB-CB 4.02Å; A57-L69 HydrophobicContact CB-CD1 4.18Å; A57-L69 HydrophobicContact CB-CD2 4.29Å; A57-L69 HydrophobicContact CB-CG 4.39Å; L69-L86 HydrophobicContact CD2-CD1 3.64Å; L69-V91 HydrophobicContact CB-CG1 3.83Å; L69-K92 PolarHBondContact N-O 3.47Å; L69-D94 PolarHBondContact O-N 2.89Å; L69-F95 HydrophobicContact CD2-CE1 3.69Å; L69-F95 HydrophobicContact CD2-CZ 4.07Å; L69-F95 HydrophobicContact CG-CE1 3.92Å
70	V	98.1	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.1	172.3	177.8	0	0	0	0	109.1	M14 V15 V16 G17 D94 L133 R136	M14-V70 HydrophobicContact CE-CB 3.86Å; M14-V70 HydrophobicContact CE-CG2 3.21Å; V15-V70 PolarHBondContact O-N 2.89Å; V16-V70 VanDerWaalsContact CA-O 3.27Å; V16-V70 WeakPolarHBondContact CA-O 3.4Å; V16-V70 HydrophobicContact CG2-CB 4.25Å; G17-V70 PolarHBondContact N-O 3.47Å; G17-V70 VanDerWaalsContact N-O 3.16Å; V70-D94 HydrophobicContact CG2-CB 3.94Å; V70-L133 HydrophobicContact CG1-CD2 3.39Å; V70-R136 HydrophobicContact CG1-CB 4.28Å; V70-R136 HydrophobicContact CG2-CB 4.12Å
71	G	97.6	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.			trans	-163.5	167.7	178.5	0	0	0	0	0	110.1	G17 F95 V96	G17-G71 WeakPolarHBondContact O-CA 3.45Å; G71-F95 WeakPolarHBondContact O-CA 3.4Å; G71-V96 PolarHBondContact O-N 3.3Å
72	L	97.6	Very high	96.7	Very high	5 Å²	5	32 Å²	32	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.3	175.4	-57.6	-179	0	0	0	109.5	V19 V96 V98 F125 V128 L133 A156	V19-L72 VanDerWaalsContact CG2-O 3.26Å; V19-L72 WeakPolarHBondContact CG2-O 3.25Å; L72-V96 WeakPolarHBondContact CA-O 3.44Å; L72-V96 HydrophobicContact CD2-CB 3.76Å; L72-V96 HydrophobicContact CD2-CG1 3.91Å; L72-V98 HydrophobicContact CB-CG2 4.4Å; L72-V98 HydrophobicContact CD2-CG2 4.18Å; L72-F125 HydrophobicContact CB-CD1 3.89Å; L72-F125 HydrophobicContact CB-CD2 3.86Å; L72-F125 HydrophobicContact CB-CE1 3.79Å; L72-F125 HydrophobicContact CB-CE2 3.8Å; L72-F125 HydrophobicContact CB-CG 3.91Å; L72-F125 HydrophobicContact CB-CZ 3.77Å; L72-F125 HydrophobicContact CD1-CB 3.41Å; L72-F125 VanDerWaalsContact CD1-CB 3.41Å; L72-F125 HydrophobicContact CD1-CD1 3.89Å; L72-F125 HydrophobicContact CD1-CD2 4.1Å; L72-F125 HydrophobicContact CD1-CG 3.56Å; L72-F125 HydrophobicContact CG-CG 4.38Å; L72-V128 HydrophobicContact CD1-CB 4.18Å; L72-V128 HydrophobicContact CD1-CG1 4.11Å; L72-V128 HydrophobicContact CD2-CG1 4.37Å; L72-L133 HydrophobicContact CD1-CD1 4.45Å; L72-L133 HydrophobicContact CD2-CD1 3.93Å; L72-L133 HydrophobicContact CD2-CD2 4Å; L72-L133 HydrophobicContact CD2-CG 4.01Å; L72-L133 HydrophobicContact CG-CD1 4.19Å; L72-A156 HydrophobicContact CD1-CB 4.27Å; L72-A156 HydrophobicContact CG-CB 4.19Å
73	T	97.7	Very high	96.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.1	178.2	53.6	0	0	0	0	110	V19 A79 F95 V96 S97 V98 T103	V19-T73 HydrophobicContact CG2-CG2 3.65Å; T73-A79 HydrophobicContact CG2-CB 4.5Å; T73-F95 HydrophobicContact CG2-CB 4.15Å; T73-F95 HydrophobicContact CG2-CD1 4.26Å; T73-F95 HydrophobicContact CG2-CD2 3.78Å; T73-F95 HydrophobicContact CG2-CE2 4.17Å; T73-F95 HydrophobicContact CG2-CG 3.83Å; T73-V96 PolarHBondContact N-O 3.3Å; T73-S97 CarbonylContact O-C 3.52Å; T73-S97 WeakPolarHBondContact O-CA 3.37Å; T73-V98 PolarHBondContact O-N 3.1Å; T73-T103 HydrophobicContact CG2-CG2 4.3Å
74	G	96.6	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.			trans	-73.2	-176.2	166.3	0	0	0	0	0	112.3	H101 T103	G74-H101 WeakPolarHBondContact CA-O 3.41Å; G74-T103 PolarHBondContact N-OG1 2.96Å
75	I	96.5	Very high	97	Very high	125 Å²	125	38.9 Å²	38.9	64%	0.641	20%	0.196	S	C	*	.	S	Bend	trans	-106.1	74.5	168.3	-54.8	179.1	0	0	0	107.8	P99	I75-P99 HydrophobicContact CD1-CB 4.04Å; I75-P99 HydrophobicContact CD1-CG 3.72Å
76	D	96.7	Very high	97	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.241	19%	0.194	C	C	.	.	S	Bend	trans	-143.3	-175.5	-169.3	57.1	28.9	0	0	0	113.3	A78 A79 R80 T103	D76-A78 PolarHBondContact OD1-N 3.33Å; D76-A79 WeakPolarHBondContact OD1-CB 3.41Å; D76-A79 PolarHBondContact OD1-N 3.48Å; D76-R80 WeakPolarHBondContact O-CG 3.4Å; D76-R80 PolarHBondContact O-N 2.88Å; D76-R80 PolarHBondContact O-NE 3.47Å; D76-T103 VanDerWaalsContact CG-OG1 3.29Å; D76-T103 WeakPolarHBondContact OD1-CB 3.48Å; D76-T103 PolarHBondContact OD1-OG1 2.9Å; D76-T103 WeakPolarHBondContact OD2-CB 3.36Å; D76-T103 PolarHBondContact OD2-N 3.17Å; D76-T103 PolarHBondContact OD2-OG1 2.71Å
77	D	96.4	Very high	96.9	Very high	79 Å²	79	36.6 Å²	36.6	42%	0.422	19%	0.191	S	C	.	.	H	α-helix	trans	-66.8	-37	177.1	-174.4	71.4	0	0	0	113	R23 R80 A81	R23-D77 IonicContact NH2-OD2 3.59Å; R23-D77 PolarHBondContact NH2-OD2 2.62Å; D77-R80 VanDerWaalsContact CA-NH2 3.31Å; D77-R80 PolarHBondContact O-N 3.08Å; D77-R80 IonicContact OD1-CZ 3.17Å; D77-R80 IonicContact OD1-NH2 3.59Å; D77-R80 PolarHBondContact OD1-NH2 3.33Å; D77-A81 WeakPolarHBondContact O-CB 3.45Å; D77-A81 PolarHBondContact O-N 3.06Å
78	A	96.6	Very high	96.7	Very high	6 Å²	6	42 Å²	42	5%	0.05	22%	0.22	C	C	.	.	H	α-helix	trans	-67.3	-40.1	-179.1	0	0	0	0	0	111.9	L21 D76 R80 A81 L82 T103 T105	L21-A78 HydrophobicContact CB-CB 4.31Å; L21-A78 HydrophobicContact CD2-CB 3.7Å; D76-A78 PolarHBondContact OD1-N 3.33Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.27Å; A78-A81 PolarHBondContact O-N 2.84Å; A78-L82 WeakPolarHBondContact O-CB 3.47Å; A78-L82 WeakPolarHBondContact O-CG 3.24Å; A78-L82 PolarHBondContact O-N 2.79Å; A78-T103 HydrophobicContact CB-CG2 4.02Å; A78-T105 WeakPolarHBondContact CB-OG1 3.21Å
79	A	97.3	Very high	96.4	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-44.9	172.2	0	0	0	0	0	111.9	T73 D76 L82 S83 T103	T73-A79 HydrophobicContact CG2-CB 4.5Å; D76-A79 WeakPolarHBondContact OD1-CB 3.41Å; D76-A79 PolarHBondContact OD1-N 3.48Å; A79-L82 PolarHBondContact O-N 2.78Å; A79-S83 PolarHBondContact O-N 3.2Å; A79-S83 PolarHBondContact O-OG 3.09Å; A79-T103 WeakPolarHBondContact CB-OG1 3.36Å; A79-T103 PolarHBondContact N-OG1 3.26Å
80	R	97.2	Very high	96.2	Very high	162 Å²	162	50 Å²	50	61%	0.611	27%	0.267	S	S	*	.	H	α-helix	trans	-65.6	-42.1	179.1	-70.6	-177.8	-66.2	126.2	6	112	D76 D77 A78 K84	D76-R80 WeakPolarHBondContact O-CG 3.4Å; D76-R80 PolarHBondContact O-N 2.88Å; D76-R80 PolarHBondContact O-NE 3.47Å; D77-R80 VanDerWaalsContact CA-NH2 3.31Å; D77-R80 PolarHBondContact O-N 3.08Å; D77-R80 IonicContact OD1-CZ 3.17Å; D77-R80 IonicContact OD1-NH2 3.59Å; D77-R80 PolarHBondContact OD1-NH2 3.33Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.27Å; R80-K84 WeakPolarHBondContact O-CB 3.48Å; R80-K84 PolarHBondContact O-N 2.93Å
81	A	96.4	Very high	96.1	Very high	12 Å²	12	50.2 Å²	50.2	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-47	175.2	0	0	0	0	0	111.1	L21 E48 D77 A78 K84 S85	L21-A81 HydrophobicContact CD2-CB 4.11Å; E48-A81 WeakPolarHBondContact OE2-CB 3.35Å; D77-A81 WeakPolarHBondContact O-CB 3.45Å; D77-A81 PolarHBondContact O-N 3.06Å; A78-A81 PolarHBondContact O-N 2.84Å; A81-K84 PolarHBondContact O-N 2.87Å; A81-S85 PolarHBondContact O-N 2.81Å; A81-S85 PolarHBondContact O-OG 2.75Å
82	L	96.5	Very high	96.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-52.8	175.2	-77.2	174.6	0	0	0	112.2	M20 L21 P50 A78 A79 K84 S85 L86 F95 T103	M20-L82 WeakPolarHBondContact O-CD2 3.33Å; L21-L82 HydrophobicContact CB-CD1 4.2Å; L21-L82 HydrophobicContact CB-CD2 4.06Å; L21-L82 HydrophobicContact CB-CG 3.98Å; L21-L82 HydrophobicContact CD1-CD2 3.68Å; L21-L82 HydrophobicContact CD1-CG 3.96Å; L21-L82 HydrophobicContact CG-CD2 4.5Å; P50-L82 HydrophobicContact CB-CD2 3.97Å; P50-L82 HydrophobicContact CG-CD2 4.42Å; A78-L82 WeakPolarHBondContact O-CB 3.47Å; A78-L82 WeakPolarHBondContact O-CG 3.24Å; A78-L82 PolarHBondContact O-N 2.79Å; A79-L82 PolarHBondContact O-N 2.78Å; L82-K84 VanDerWaalsContact C-N 3.25Å; L82-K84 PolarHBondContact O-N 2.8Å; L82-S85 PolarHBondContact O-N 2.68Å; L82-L86 VanDerWaalsContact O-CB 3.29Å; L82-L86 WeakPolarHBondContact O-CB 3.17Å; L82-L86 WeakPolarHBondContact O-CD1 3.37Å; L82-L86 VanDerWaalsContact O-CG 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.9Å; L82-F95 HydrophobicContact CB-CE2 4.31Å; L82-T103 HydrophobicContact CD1-CG2 3.72Å
83	S	96.9	Very high	96.1	Very high	45 Å²	45	57.9 Å²	57.9	32%	0.315	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-39	-179.7	-66.1	0	0	0	0	112.3	A79 A87 F95	A79-S83 PolarHBondContact O-N 3.2Å; A79-S83 PolarHBondContact O-OG 3.09Å; S83-A87 VanDerWaalsContact O-CB 3.3Å; S83-A87 WeakPolarHBondContact O-CB 3.32Å; S83-A87 PolarHBondContact O-N 2.8Å; S83-F95 WeakPolarHBondContact OG-CD2 3.39Å; S83-F95 VanDerWaalsContact OG-CE2 3.29Å; S83-F95 WeakPolarHBondContact OG-CE2 3.36Å
84	K	96.4	Very high	96	Very high	144 Å²	144	59 Å²	59	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-66.5	-54.1	177.1	-175	-176.1	174.5	-169.9	0	111.5	R80 A81 L82 L86 A87 D88	R80-K84 WeakPolarHBondContact O-CB 3.48Å; R80-K84 PolarHBondContact O-N 2.93Å; A81-K84 PolarHBondContact O-N 2.87Å; L82-K84 VanDerWaalsContact C-N 3.25Å; L82-K84 PolarHBondContact O-N 2.8Å; K84-L86 PolarHBondContact O-N 2.79Å; K84-A87 PolarHBondContact O-N 2.62Å; K84-A87 VanDerWaalsContact O-N 3.15Å; K84-D88 PolarHBondContact O-N 3.03Å; K84-D88 VanDerWaalsContact O-N 3.09Å
85	S	94.7	Very high	96.1	Very high	32 Å²	32	60 Å²	60	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-34.4	-177.9	-61.9	0	0	0	0	112.6	A81 L82	A81-S85 PolarHBondContact O-N 2.81Å; A81-S85 PolarHBondContact O-OG 2.75Å; L82-S85 PolarHBondContact O-N 2.68Å
86	L	96.6	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-74.5	-36.8	176.9	-72.8	169.8	0	0	0	112.8	P50 A54 M58 L69 L82 K84 D88 V89 N90 V91 C93 F95	P50-L86 HydrophobicContact CB-CD2 3.87Å; P50-L86 HydrophobicContact CB-CG 4.19Å; P50-L86 HydrophobicContact CG-CD2 3.94Å; P50-L86 HydrophobicContact CG-CG 4.05Å; A54-L86 HydrophobicContact CB-CD1 4.13Å; A54-L86 HydrophobicContact CB-CD2 4.19Å; M58-L86 HydrophobicContact CG-CD2 3.69Å; M58-L86 HydrophobicContact SD-CD2 4.34Å; L69-L86 HydrophobicContact CD2-CD1 3.64Å; L82-L86 VanDerWaalsContact O-CB 3.29Å; L82-L86 WeakPolarHBondContact O-CB 3.17Å; L82-L86 WeakPolarHBondContact O-CD1 3.37Å; L82-L86 VanDerWaalsContact O-CG 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.9Å; K84-L86 PolarHBondContact O-N 2.79Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 2.85Å; L86-V89 CarbonylContact O-C 3.57Å; L86-V89 WeakPolarHBondContact O-CG2 3.48Å; L86-V89 PolarHBondContact O-N 3.42Å; L86-N90 PolarHBondContact O-N 2.78Å; L86-V91 HydrophobicContact CB-CB 4.05Å; L86-V91 HydrophobicContact CB-CG1 4.34Å; L86-V91 HydrophobicContact CD2-CB 4.08Å; L86-V91 HydrophobicContact CD2-CG1 4.13Å; L86-V91 HydrophobicContact CD2-CG2 4.18Å; L86-V91 PolarHBondContact O-N 3.05Å; L86-C93 WeakPolarHBondContact CB-SG 3.39Å; L86-C93 VanDerWaalsContact CD1-SG 3.52Å; L86-F95 HydrophobicContact CD1-CZ 3.76Å
87	A	95.5	Very high	96.1	Very high	59 Å²	59	56.1 Å²	56.1	49%	0.488	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-37.5	174.3	0	0	0	0	0	111.9	S83 K84 V89 N90	S83-A87 VanDerWaalsContact O-CB 3.3Å; S83-A87 WeakPolarHBondContact O-CB 3.32Å; S83-A87 PolarHBondContact O-N 2.8Å; K84-A87 PolarHBondContact O-N 2.62Å; K84-A87 VanDerWaalsContact O-N 3.15Å; A87-V89 PolarHBondContact O-N 3.29Å; A87-V89 VanDerWaalsContact O-N 3.15Å; A87-N90 PolarHBondContact O-N 2.83Å; A87-N90 VanDerWaalsContact O-N 3.1Å
88	D	92.9	Very high	96.1	Very high	119 Å²	119	52.9 Å²	52.9	64%	0.636	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.4	177.6	-68.9	-20.1	0	0	0	113	K84 L86	K84-D88 PolarHBondContact O-N 3.03Å; K84-D88 VanDerWaalsContact O-N 3.09Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 2.85Å
89	V	92.1	Very high	96	Very high	63 Å²	63	57.6 Å²	57.6	38%	0.382	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	24.6	176.7	-60.6	0	0	0	0	113.1	M58 A61 L86 A87 V91	M58-V89 HydrophobicContact CG-CG2 3.99Å; M58-V89 HydrophobicContact SD-CG2 4.3Å; A61-V89 WeakPolarHBondContact CB-O 3.43Å; L86-V89 CarbonylContact O-C 3.57Å; L86-V89 WeakPolarHBondContact O-CG2 3.48Å; L86-V89 PolarHBondContact O-N 3.42Å; A87-V89 PolarHBondContact O-N 3.29Å; A87-V89 VanDerWaalsContact O-N 3.15Å; V89-V91 VanDerWaalsContact C-N 3.26Å; V89-V91 HydrophobicContact CG2-CG2 4.14Å; V89-V91 PolarHBondContact O-N 2.78Å
90	N	93.5	Very high	95.8	Very high	142 Å²	142	62.5 Å²	62.5	76%	0.759	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	24	175.9	-58.2	-54.1	0	0	0	115.7	L86 A87	L86-N90 PolarHBondContact O-N 2.78Å; A87-N90 PolarHBondContact O-N 2.83Å; A87-N90 VanDerWaalsContact O-N 3.1Å
91	V	97.5	Very high	95.6	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.03	33%	0.326	C	S	.	.			trans	-85.4	122.1	169.7	174.8	0	0	0	0	109.1	A57 A61 A67 L69 L86 V89 C93	A57-V91 HydrophobicContact CB-CG1 3.77Å; A57-V91 HydrophobicContact CB-CG2 4.17Å; A57-V91 WeakPolarHBondContact O-CG2 3.38Å; A61-V91 HydrophobicContact CB-CG2 3.64Å; A67-V91 HydrophobicContact CB-CG1 4.5Å; A67-V91 HydrophobicContact CB-CG2 4.19Å; L69-V91 HydrophobicContact CB-CG1 3.83Å; L86-V91 HydrophobicContact CB-CB 4.05Å; L86-V91 HydrophobicContact CB-CG1 4.34Å; L86-V91 HydrophobicContact CD2-CB 4.08Å; L86-V91 HydrophobicContact CD2-CG1 4.13Å; L86-V91 HydrophobicContact CD2-CG2 4.18Å; L86-V91 PolarHBondContact O-N 3.05Å; V89-V91 VanDerWaalsContact C-N 3.26Å; V89-V91 HydrophobicContact CG2-CG2 4.14Å; V89-V91 PolarHBondContact O-N 2.78Å; V91-C93 PolarHBondContact O-N 3.45Å; V91-C93 VanDerWaalsContact O-N 3.16Å
92	K	97.3	Very high	95.6	Very high	129 Å²	129	58.5 Å²	58.5	56%	0.561	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	101.7	174.6	-177.8	178	178.3	176.9	0	110.1	A67 R68 L69	A67-K92 PolarHBondContact O-N 3.18Å; R68-K92 WeakPolarHBondContact CA-O 3.38Å; R68-K92 HydrophobicContact CG-CD 4.44Å; R68-K92 HydrophobicContact CG-CG 4.5Å; L69-K92 PolarHBondContact N-O 3.47Å
93	C	97	Very high	95.6	Very high	37 Å²	37	58.5 Å²	58.5	25%	0.25	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.3	171.4	-57.5	0	0	0	0	111.2	L86 V91 F95	L86-C93 WeakPolarHBondContact CB-SG 3.39Å; L86-C93 VanDerWaalsContact CD1-SG 3.52Å; V91-C93 PolarHBondContact O-N 3.45Å; V91-C93 VanDerWaalsContact O-N 3.16Å; C93-F95 HydrophobicContact CB-CD2 4.22Å; C93-F95 HydrophobicContact CB-CE1 4.33Å; C93-F95 HydrophobicContact CB-CE2 3.99Å; C93-F95 HydrophobicContact CB-CZ 4.05Å
94	D	96.3	Very high	95.6	Very high	25 Å²	25	56.4 Å²	56.4	13%	0.134	32%	0.321	C	S	.	.			trans	-134.3	54	174.7	-169.5	36.8	0	0	0	109.7	R68 L69 V70 R136	R68-D94 HydrophobicContact CG-CB 4.4Å; R68-D94 IonicContact CZ-OD2 3.94Å; R68-D94 IonicContact NE-OD2 3.98Å; R68-D94 PolarHBondContact NE-OD2 3.33Å; R68-D94 IonicContact NH2-OD2 3.59Å; R68-D94 PolarHBondContact NH2-OD2 3.35Å; L69-D94 PolarHBondContact O-N 2.89Å; V70-D94 HydrophobicContact CG2-CB 3.94Å; D94-R136 WeakPolarHBondContact O-CD 3.32Å; D94-R136 PolarHBondContact O-NE 3.44Å; D94-R136 IonicContact OD1-CZ 2.84Å; D94-R136 IonicContact OD1-NE 3.82Å; D94-R136 IonicContact OD1-NH1 2.66Å; D94-R136 PolarHBondContact OD1-NH1 3.05Å; D94-R136 IonicContact OD1-NH2 2.84Å; D94-R136 PolarHBondContact OD1-NH2 3.46Å; D94-R136 WeakPolarHBondContact OD2-CD 3.33Å; D94-R136 IonicContact OD2-CZ 2.79Å; D94-R136 IonicContact OD2-NE 3.43Å; D94-R136 IonicContact OD2-NH1 2.83Å; D94-R136 PolarHBondContact OD2-NH1 2.93Å
95	F	97.2	Very high	95.7	Very high	21 Å²	21	49.9 Å²	49.9	9%	0.092	29%	0.293	C	S	.	.			trans	-66	153.8	-174.3	-60.6	-34	0	0	0	112.9	V19 L69 G71 T73 L82 S83 L86 C93 R136	V19-F95 HydrophobicContact CG1-CE1 4.06Å; V19-F95 HydrophobicContact CG2-CE1 4.33Å; L69-F95 HydrophobicContact CD2-CE1 3.69Å; L69-F95 HydrophobicContact CD2-CZ 4.07Å; L69-F95 HydrophobicContact CG-CE1 3.92Å; G71-F95 WeakPolarHBondContact O-CA 3.4Å; T73-F95 HydrophobicContact CG2-CB 4.15Å; T73-F95 HydrophobicContact CG2-CD1 4.26Å; T73-F95 HydrophobicContact CG2-CD2 3.78Å; T73-F95 HydrophobicContact CG2-CE2 4.17Å; T73-F95 HydrophobicContact CG2-CG 3.83Å; L82-F95 HydrophobicContact CB-CE2 4.31Å; S83-F95 WeakPolarHBondContact OG-CD2 3.39Å; S83-F95 VanDerWaalsContact OG-CE2 3.29Å; S83-F95 WeakPolarHBondContact OG-CE2 3.36Å; L86-F95 HydrophobicContact CD1-CZ 3.76Å; C93-F95 HydrophobicContact CB-CD2 4.22Å; C93-F95 HydrophobicContact CB-CE1 4.33Å; C93-F95 HydrophobicContact CB-CE2 3.99Å; C93-F95 HydrophobicContact CB-CZ 4.05Å; F95-R136 PolarHBondContact O-NH2 2.82Å
96	V	97.3	Very high	95.7	Very high	15 Å²	15	49.2 Å²	49.2	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.3	166.3	177	0	0	0	0	106.8	G71 L72 T73 P132 L133	G71-V96 PolarHBondContact O-N 3.3Å; L72-V96 WeakPolarHBondContact CA-O 3.44Å; L72-V96 HydrophobicContact CD2-CB 3.76Å; L72-V96 HydrophobicContact CD2-CG1 3.91Å; T73-V96 PolarHBondContact N-O 3.3Å; V96-P132 HydrophobicContact CB-CB 4.48Å; V96-P132 HydrophobicContact CG1-CB 3.76Å; V96-P132 HydrophobicContact CG1-CG 4.32Å; V96-P132 HydrophobicContact CG2-CB 3.84Å; V96-L133 HydrophobicContact CG2-CD2 3.93Å; V96-L133 HydrophobicContact CG2-CG 4.41Å
97	S	96.7	Very high	95.7	Very high	72 Å²	72	49.3 Å²	49.3	50%	0.503	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.5	179.5	-59.2	0	0	0	0	111	T73	T73-S97 CarbonylContact O-C 3.52Å; T73-S97 WeakPolarHBondContact O-CA 3.37Å
98	V	96.1	Very high	95.7	Very high	12 Å²	12	48.4 Å²	48.4	7%	0.073	27%	0.271	C	S	.	.			trans	-120.6	100.1	-176.7	-176.2	0	0	0	0	108.1	L72 T73 T100 H101 F125 V128	L72-V98 HydrophobicContact CB-CG2 4.4Å; L72-V98 HydrophobicContact CD2-CG2 4.18Å; T73-V98 PolarHBondContact O-N 3.1Å; V98-T100 WeakPolarHBondContact CG1-OG1 3.47Å; V98-T100 PolarHBondContact O-N 3.48Å; V98-T100 VanDerWaalsContact O-N 3.07Å; V98-H101 HydrophobicContact CG1-CB 4.24Å; V98-H101 WeakPolarHBondContact CG1-ND1 3.44Å; V98-H101 PolarHBondContact O-N 3.36Å; V98-F125 HydrophobicContact CB-CE1 4.17Å; V98-F125 HydrophobicContact CG2-CD1 4.44Å; V98-F125 HydrophobicContact CG2-CE1 4.26Å; V98-V128 HydrophobicContact CG1-CG1 4.47Å; V98-V128 HydrophobicContact CG1-CG2 3.93Å; V98-V128 HydrophobicContact CG2-CG1 3.9Å; V98-V128 HydrophobicContact CG2-CG2 4.42Å
99	P	93.7	Very high	95.8	Very high	104 Å²	104	43.4 Å²	43.4	68%	0.675	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.4	-173.9	-20.6	27.5	0	0	0	115.1	I75	I75-P99 HydrophobicContact CD1-CB 4.04Å; I75-P99 HydrophobicContact CD1-CG 3.72Å
100	T	93	Very high	95.9	Very high	115 Å²	115	41.5 Å²	41.5	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.3	-174.6	49.8	0	0	0	0	114.1	V98	V98-T100 WeakPolarHBondContact CG1-OG1 3.47Å; V98-T100 PolarHBondContact O-N 3.48Å; V98-T100 VanDerWaalsContact O-N 3.07Å
101	H	94.2	Very high	95.8	Very high	43 Å²	43	35 Å²	35	20%	0.199	20%	0.197	C	C	.	.	S	Bend	trans	-127.7	144.9	-175.5	-64.9	70.2	0	0	0	110.1	G74 V98 G124 F125	G74-H101 WeakPolarHBondContact CA-O 3.41Å; V98-H101 HydrophobicContact CG1-CB 4.24Å; V98-H101 WeakPolarHBondContact CG1-ND1 3.44Å; V98-H101 PolarHBondContact O-N 3.36Å; H101-G124 PolarHBondContact CD2-O 2.97Å; H101-G124 PolarHBondContact NE2-O 2.84Å; H101-F125 HydrophobicContact CB-CD1 3.87Å; H101-F125 HydrophobicContact CB-CE1 3.44Å; H101-F125 VanDerWaalsContact CB-CE1 3.44Å; H101-F125 HydrophobicContact CB-CZ 4.28Å; H101-F125 AromaticContact CD2-CD1 3.91Å; H101-F125 AromaticContact CG-CD1 3.82Å; H101-F125 AromaticContact CG-CE1 3.94Å
102	P	95.4	Very high	95.3	Very high	46 Å²	46	44.9 Å²	44.9	30%	0.299	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-73.5	152.5	169.6	32.3	-34	0	0	0	110.9	I104 E123	P102-I104 PolarHBondContact O-N 3.27Å; P102-E123 HydrophobicContact CG-CG 4.2Å
103	T	97.4	Very high	94.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-64.4	127	164.5	-56.6	0	0	0	0	109.3	T73 G74 D76 A78 A79 L82 T105	T73-T103 HydrophobicContact CG2-CG2 4.3Å; G74-T103 PolarHBondContact N-OG1 2.96Å; D76-T103 VanDerWaalsContact CG-OG1 3.29Å; D76-T103 WeakPolarHBondContact OD1-CB 3.48Å; D76-T103 PolarHBondContact OD1-OG1 2.9Å; D76-T103 WeakPolarHBondContact OD2-CB 3.36Å; D76-T103 PolarHBondContact OD2-N 3.17Å; D76-T103 PolarHBondContact OD2-OG1 2.71Å; A78-T103 HydrophobicContact CB-CG2 4.02Å; A79-T103 WeakPolarHBondContact CB-OG1 3.36Å; A79-T103 PolarHBondContact N-OG1 3.26Å; L82-T103 HydrophobicContact CD1-CG2 3.72Å; T103-T105 PolarHBondContact O-N 3.46Å; T103-T105 VanDerWaalsContact O-N 3.08Å; T103-T105 PolarHBondContact O-OG1 2.91Å
104	I	97.3	Very high	94.1	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-54.5	118.8	-179.4	-58.9	171.5	0	0	0	109.2	M20 L21 P102 F121 E122 F125 K154	M20-I104 CarbonylContact C-O 3.54Å; M20-I104 WeakPolarHBondContact CA-O 3.29Å; M20-I104 HydrophobicContact CB-CB 3.84Å; M20-I104 HydrophobicContact CB-CG2 3.55Å; M20-I104 WeakPolarHBondContact CB-O 3.4Å; L21-I104 PolarHBondContact N-O 3.48Å; P102-I104 PolarHBondContact O-N 3.27Å; I104-F121 WeakPolarHBondContact CA-O 3.36Å; I104-E122 HydrophobicContact CB-CB 4.49Å; I104-E122 HydrophobicContact CG1-CB 4.23Å; I104-E122 HydrophobicContact CG2-CB 4.06Å; I104-F125 HydrophobicContact CD1-CD2 4.25Å; I104-F125 HydrophobicContact CD1-CE2 3.78Å; I104-F125 HydrophobicContact CG1-CE2 3.91Å; I104-K154 HydrophobicContact CD1-CB 3.32Å; I104-K154 HydrophobicContact CD1-CD 4.28Å; I104-K154 HydrophobicContact CD1-CG 3.67Å
105	T	97.2	Very high	93.9	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.8	-178.4	-57	0	0	0	0	110.2	L21 R23 A78 T103 F121	L21-T105 HydrophobicContact CB-CG2 4.29Å; L21-T105 HydrophobicContact CD2-CG2 4.48Å; L21-T105 CarbonylContact O-C 3.48Å; L21-T105 WeakPolarHBondContact O-CA 3.35Å; R23-T105 HydrophobicContact CB-CG2 4.24Å; A78-T105 WeakPolarHBondContact CB-OG1 3.21Å; T103-T105 PolarHBondContact O-N 3.46Å; T103-T105 VanDerWaalsContact O-N 3.08Å; T103-T105 PolarHBondContact O-OG1 2.91Å; T105-F121 HydrophobicContact CG2-CD2 4.49Å; T105-F121 PolarHBondContact N-O 2.82Å; T105-F121 PolarHBondContact O-N 3.02Å
106	K	95.1	Very high	93.7	Very high	18 Å²	18	56.5 Å²	56.5	8%	0.078	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	98.6	174.4	-57.9	-61.8	-177	-172.2	0	108.5	M20 L21 D22 R23 R108 D120 E122	M20-K106 HydrophobicContact SD-CG 4.31Å; L21-K106 PolarHBondContact O-N 3.39Å; D22-K106 WeakPolarHBondContact OD1-CB 3.29Å; R23-K106 PolarHBondContact N-O 3.29Å; K106-R108 PolarHBondContact O-NH1 2.8Å; K106-D120 HydrophobicContact CD-CB 4.15Å; K106-D120 VanDerWaalsContact CD-CG 3.44Å; K106-D120 WeakPolarHBondContact CD-OD1 3.49Å; K106-D120 IonicContact NZ-OD1 2.88Å; K106-D120 IonicContact NZ-OD2 2.72Å; K106-D120 PolarHBondContact NZ-OD2 3.3Å; K106-E122 WeakPolarHBondContact CE-OE2 3.32Å; K106-E122 IonicContact NZ-OE1 2.73Å; K106-E122 PolarHBondContact NZ-OE1 2.85Å; K106-E122 IonicContact NZ-OE2 3.98Å; K106-E122 PolarHBondContact NZ-OE2 3.16Å
107	L	96.1	Very high	93.6	Very high	3 Å²	3	60 Å²	60	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.9	-178.1	-173.1	165.7	0	0	0	110.5	R23 W25 V109 R118 L119 F121	R23-L107 HydrophobicContact CB-CB 4.39Å; R23-L107 HydrophobicContact CB-CG 4.37Å; R23-L107 HydrophobicContact CG-CG 4.31Å; R23-L107 CarbonylContact O-C 3.56Å; R23-L107 VanDerWaalsContact O-CA 3.28Å; R23-L107 WeakPolarHBondContact O-CA 3.37Å; W25-L107 HydrophobicContact CD2-CD1 3.98Å; W25-L107 HydrophobicContact CD2-CD2 4Å; W25-L107 HydrophobicContact CD2-CG 4.25Å; W25-L107 HydrophobicContact CE3-CD1 4.14Å; W25-L107 HydrophobicContact CE3-CD2 3.96Å; W25-L107 HydrophobicContact CG-CD2 4.32Å; W25-L107 HydrophobicContact CH2-CD1 3.78Å; W25-L107 HydrophobicContact CZ2-CD1 3.61Å; W25-L107 HydrophobicContact CZ3-CD1 4.04Å; W25-L107 HydrophobicContact CZ3-CD2 4.45Å; L107-V109 HydrophobicContact CD2-CG2 3.6Å; L107-R118 CarbonylContact O-C 3.54Å; L107-R118 VanDerWaalsContact O-CA 3.27Å; L107-R118 WeakPolarHBondContact O-CA 3.44Å; L107-L119 HydrophobicContact CB-CB 4.27Å; L107-L119 HydrophobicContact CD2-CD1 4.13Å; L107-L119 PolarHBondContact N-O 2.87Å; L107-L119 PolarHBondContact O-N 3.46Å; L107-F121 HydrophobicContact CB-CD2 4.44Å; L107-F121 HydrophobicContact CB-CE2 3.96Å; L107-F121 HydrophobicContact CD1-CE2 3.99Å
108	R	95.7	Very high	93.6	Very high	40 Å²	40	62.9 Å²	62.9	15%	0.151	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.5	178.3	-61.7	164.4	-171.1	88.4	-6.1	109.1	D22 R23 Y24 W25 K106 L110 Q115 R118	D22-R108 VanDerWaalsContact CG-NH1 3.31Å; D22-R108 IonicContact OD1-CZ 2.86Å; D22-R108 IonicContact OD1-NH1 3.65Å; D22-R108 PolarHBondContact OD1-NH1 2.79Å; D22-R108 IonicContact OD1-NH2 3.48Å; D22-R108 PolarHBondContact OD1-NH2 2.98Å; R23-R108 PolarHBondContact O-N 2.8Å; Y24-R108 CarbonylContact C-O 3.56Å; Y24-R108 WeakPolarHBondContact CA-O 3.36Å; Y24-R108 HydrophobicContact CD1-CB 4.15Å; Y24-R108 HydrophobicContact CE1-CB 4.45Å; Y24-R108 VanDerWaalsContact CE1-CD 3.46Å; W25-R108 PolarHBondContact N-O 2.83Å; K106-R108 PolarHBondContact O-NH1 2.8Å; R108-L110 HydrophobicContact CB-CD1 4.01Å; R108-L110 WeakPolarHBondContact O-CD1 3.37Å; R108-Q115 HydrophobicContact CB-CG 4.43Å; R108-R118 HydrophobicContact CG-CG 3.9Å
109	V	96	Very high	93.6	Very high	13 Å²	13	65.6 Å²	65.6	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.2	174.9	-173.9	0	0	0	0	109.2	W25 V41 L107 L116 I117	W25-V109 HydrophobicContact CB-CG2 4.41Å; W25-V109 HydrophobicContact CE3-CG2 4.33Å; W25-V109 CarbonylContact O-C 3.6Å; W25-V109 WeakPolarHBondContact O-CA 3.41Å; V41-V109 HydrophobicContact CB-CG1 4.14Å; V41-V109 HydrophobicContact CG1-CG1 3.89Å; V41-V109 HydrophobicContact CG2-CG1 3.83Å; L107-V109 HydrophobicContact CD2-CG2 3.6Å; V109-L116 PolarHBondContact O-N 2.9Å; V109-I117 HydrophobicContact CB-CG2 3.84Å; V109-I117 HydrophobicContact CG2-CG2 3.8Å; V109-I117 PolarHBondContact N-O 3Å
110	L	93.8	Very high	93.7	Very high	23 Å²	23	63.4 Å²	63.4	12%	0.12	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.3	-173.7	-59.9	93.9	0	0	0	111.8	Y24 W25 Y26 G27 R108 Q114 Q115	Y24-L110 HydrophobicContact CD1-CD1 3.76Å; Y24-L110 HydrophobicContact CG-CD1 4.42Å; W25-L110 PolarHBondContact O-N 3.05Å; Y26-L110 WeakPolarHBondContact CA-O 3.41Å; Y26-L110 HydrophobicContact CD1-CB 3.77Å; Y26-L110 HydrophobicContact CD1-CD1 4.25Å; Y26-L110 HydrophobicContact CD1-CD2 4.48Å; Y26-L110 HydrophobicContact CD1-CG 4.39Å; Y26-L110 HydrophobicContact CE1-CB 4.11Å; Y26-L110 HydrophobicContact CE1-CD1 3.99Å; Y26-L110 HydrophobicContact CE1-CD2 3.97Å; Y26-L110 HydrophobicContact CE1-CG 4.24Å; G27-L110 PolarHBondContact N-O 3.3Å; R108-L110 HydrophobicContact CB-CD1 4.01Å; R108-L110 WeakPolarHBondContact O-CD1 3.37Å; L110-Q114 VanDerWaalsContact CA-O 3.32Å; L110-Q114 WeakPolarHBondContact CA-O 3.38Å; L110-Q115 HydrophobicContact CG-CB 4.48Å
111	S	92.2	Very high	93.7	Very high	5 Å²	5	63 Å²	63	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.7	171.3	177.4	0	0	0	0	109.8	G27 T29 N113 Q114	G27-S111 VanDerWaalsContact O-CA 3.28Å; G27-S111 WeakPolarHBondContact O-CA 3.25Å; G27-S111 VanDerWaalsContact O-CB 3.22Å; G27-S111 WeakPolarHBondContact O-CB 3.5Å; G27-S111 PolarHBondContact O-OG 2.8Å; T29-S111 PolarHBondContact N-OG 2.86Å; T29-S111 PolarHBondContact OG1-OG 3.02Å; S111-N113 PolarHBondContact O-N 3.48Å; S111-Q114 PolarHBondContact N-O 2.99Å; S111-Q114 WeakPolarHBondContact O-CB 3.33Å; S111-Q114 PolarHBondContact O-N 3.38Å
112	R	87	Confident	93.4	Very high	213 Å²	213	63.7 Å²	63.7	80%	0.804	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	45.5	-179.5	-58.8	-179.7	178.2	174.9	0	112.8	Q114	R112-Q114 PolarHBondContact O-N 3.2Å
113	N	81.3	Confident	93	Very high	160 Å²	160	67.3 Å²	67.3	86%	0.856	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	13.9	-177.7	-56.8	2	0	0	0	115.4	S111	S111-N113 PolarHBondContact O-N 3.48Å
114	Q	88.2	Confident	92.4	Very high	134 Å²	134	68.5 Å²	68.5	63%	0.626	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	129	171.8	-172.2	176.7	16.8	0	0	110.2	L110 S111 R112 L116	L110-Q114 VanDerWaalsContact CA-O 3.32Å; L110-Q114 WeakPolarHBondContact CA-O 3.38Å; S111-Q114 PolarHBondContact N-O 2.99Å; S111-Q114 WeakPolarHBondContact O-CB 3.33Å; S111-Q114 PolarHBondContact O-N 3.38Å; R112-Q114 PolarHBondContact O-N 3.2Å; Q114-L116 PolarHBondContact O-N 3.37Å
115	Q	91.6	Very high	92.1	Very high	96 Å²	96	68.6 Å²	68.6	45%	0.449	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.7	170.3	-174.2	178.7	-41	0	0	109.8	R108 L110	R108-Q115 HydrophobicContact CB-CG 4.43Å; L110-Q115 HydrophobicContact CG-CB 4.48Å
116	L	93.1	Very high	91.3	Very high	67 Å²	67	74.4 Å²	74.4	35%	0.351	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-42.5	-178.3	-59.4	177.7	0	0	0	112	T29 V41 V109 Q114	T29-L116 HydrophobicContact CG2-CD1 3.56Å; V41-L116 HydrophobicContact CG2-CD1 3.48Å; V41-L116 VanDerWaalsContact CG2-CD1 3.48Å; V109-L116 PolarHBondContact O-N 2.9Å; Q114-L116 PolarHBondContact O-N 3.37Å
117	I	95.4	Very high	91	Very high	89 Å²	89	77.2 Å²	77.2	46%	0.456	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	152.8	-178.6	-169.7	163.7	0	0	0	110.6	V109 L119	V109-I117 HydrophobicContact CB-CG2 3.84Å; V109-I117 HydrophobicContact CG2-CG2 3.8Å; V109-I117 PolarHBondContact N-O 3Å; I117-L119 HydrophobicContact CD1-CD2 4.08Å; I117-L119 HydrophobicContact CG1-CD2 4.37Å
118	R	95.9	Very high	90.8	Very high	131 Å²	131	78.5 Å²	78.5	49%	0.494	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.2	166	-160.6	178.4	78.3	-161.8	2.5	109.2	L107 R108 D120	L107-R118 CarbonylContact O-C 3.54Å; L107-R118 VanDerWaalsContact O-CA 3.27Å; L107-R118 WeakPolarHBondContact O-CA 3.44Å; R108-R118 HydrophobicContact CG-CG 3.9Å; R118-D120 WeakPolarHBondContact CD-OD1 3.48Å; R118-D120 WeakPolarHBondContact CG-OD1 3.26Å; R118-D120 IonicContact CZ-OD1 3.92Å; R118-D120 IonicContact CZ-OD2 3.19Å; R118-D120 IonicContact NE-OD1 2.81Å; R118-D120 PolarHBondContact NE-OD1 2.75Å; R118-D120 IonicContact NE-OD2 2.64Å; R118-D120 PolarHBondContact NE-OD2 2.84Å; R118-D120 IonicContact NH2-OD1 2.72Å; R118-D120 IonicContact NH2-OD2 3.75Å; R118-D120 PolarHBondContact NH2-OD2 2.75Å
119	L	96.3	Very high	90.8	Very high	69 Å²	69	81.1 Å²	81.1	36%	0.361	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.9	174.3	-59	170.3	0	0	0	107.3	L107 I117 F121	L107-L119 HydrophobicContact CB-CB 4.27Å; L107-L119 HydrophobicContact CD2-CD1 4.13Å; L107-L119 PolarHBondContact N-O 2.87Å; L107-L119 PolarHBondContact O-N 3.46Å; I117-L119 HydrophobicContact CD1-CD2 4.08Å; I117-L119 HydrophobicContact CG1-CD2 4.37Å; L119-F121 HydrophobicContact CB-CE2 3.78Å; L119-F121 HydrophobicContact CB-CZ 4.24Å
120	D	95.5	Very high	90.8	Very high	59 Å²	59	82.3 Å²	82.3	32%	0.316	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.9	179.5	-68.4	8	0	0	0	107.8	K106 R118	K106-D120 HydrophobicContact CD-CB 4.15Å; K106-D120 VanDerWaalsContact CD-CG 3.44Å; K106-D120 WeakPolarHBondContact CD-OD1 3.49Å; K106-D120 IonicContact NZ-OD1 2.88Å; K106-D120 IonicContact NZ-OD2 2.72Å; K106-D120 PolarHBondContact NZ-OD2 3.3Å; R118-D120 WeakPolarHBondContact CD-OD1 3.48Å; R118-D120 WeakPolarHBondContact CG-OD1 3.26Å; R118-D120 IonicContact CZ-OD1 3.92Å; R118-D120 IonicContact CZ-OD2 3.19Å; R118-D120 IonicContact NE-OD1 2.81Å; R118-D120 PolarHBondContact NE-OD1 2.75Å; R118-D120 IonicContact NE-OD2 2.64Å; R118-D120 PolarHBondContact NE-OD2 2.84Å; R118-D120 IonicContact NH2-OD1 2.72Å; R118-D120 IonicContact NH2-OD2 3.75Å; R118-D120 PolarHBondContact NH2-OD2 2.75Å
121	F	92.9	Very high	90.9	Very high	105 Å²	105	86 Å²	86	46%	0.461	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	93.4	172.6	-57.2	-97	0	0	0	107	I104 T105 L107 L119	I104-F121 WeakPolarHBondContact CA-O 3.36Å; T105-F121 HydrophobicContact CG2-CD2 4.49Å; T105-F121 PolarHBondContact N-O 2.82Å; T105-F121 PolarHBondContact O-N 3.02Å; L107-F121 HydrophobicContact CB-CD2 4.44Å; L107-F121 HydrophobicContact CB-CE2 3.96Å; L107-F121 HydrophobicContact CD1-CE2 3.99Å; L119-F121 HydrophobicContact CB-CE2 3.78Å; L119-F121 HydrophobicContact CB-CZ 4.24Å
122	E	88.6	Confident	91.1	Very high	58 Å²	58	87.8 Å²	87.8	27%	0.271	45%	0.446	S	S	.	.			trans	-149.7	138.3	-179.1	63.4	-175.4	-174	0	0	110.3	I104 K106 K154	I104-E122 HydrophobicContact CB-CB 4.49Å; I104-E122 HydrophobicContact CG1-CB 4.23Å; I104-E122 HydrophobicContact CG2-CB 4.06Å; K106-E122 WeakPolarHBondContact CE-OE2 3.32Å; K106-E122 IonicContact NZ-OE1 2.73Å; K106-E122 PolarHBondContact NZ-OE1 2.85Å; K106-E122 IonicContact NZ-OE2 3.98Å; K106-E122 PolarHBondContact NZ-OE2 3.16Å; E122-K154 IonicContact OE1-NZ 3.36Å; E122-K154 PolarHBondContact OE1-NZ 2.83Å; E122-K154 VanDerWaalsContact OE2-CE 3.27Å; E122-K154 WeakPolarHBondContact OE2-CE 3.38Å; E122-K154 IonicContact OE2-NZ 2.85Å; E122-K154 PolarHBondContact OE2-NZ 2.67Å
123	E	86.8	Confident	91.6	Very high	122 Å²	122	77.8 Å²	77.8	57%	0.57	41%	0.409	S	S	*	.			trans	-119	133.5	158.8	-66.1	-68.7	165.8	0	0	104.6	P102	P102-E123 HydrophobicContact CG-CG 4.2Å
124	G	84.7	Confident	92.4	Very high	27 Å²	27	71 Å²	71	28%	0.278	37%	0.372	S	S	.	.			trans	-64.8	142.3	177.9	0	0	0	0	0	110.3	H101 E126	H101-G124 PolarHBondContact CD2-O 2.97Å; H101-G124 PolarHBondContact NE2-O 2.84Å; G124-E126 WeakPolarHBondContact CA-OE2 3.43Å; G124-E126 PolarHBondContact O-N 2.99Å
125	F	91.1	Very high	92.8	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.009	37%	0.367	C	S	.	.			trans	-84.5	17.3	178.8	-63.7	-77.6	0	0	0	112.2	L72 V98 H101 I104 G127 V128 K154	L72-F125 HydrophobicContact CB-CD1 3.89Å; L72-F125 HydrophobicContact CB-CD2 3.86Å; L72-F125 HydrophobicContact CB-CE1 3.79Å; L72-F125 HydrophobicContact CB-CE2 3.8Å; L72-F125 HydrophobicContact CB-CG 3.91Å; L72-F125 HydrophobicContact CB-CZ 3.77Å; L72-F125 HydrophobicContact CD1-CB 3.41Å; L72-F125 VanDerWaalsContact CD1-CB 3.41Å; L72-F125 HydrophobicContact CD1-CD1 3.89Å; L72-F125 HydrophobicContact CD1-CD2 4.1Å; L72-F125 HydrophobicContact CD1-CG 3.56Å; L72-F125 HydrophobicContact CG-CG 4.38Å; V98-F125 HydrophobicContact CB-CE1 4.17Å; V98-F125 HydrophobicContact CG2-CD1 4.44Å; V98-F125 HydrophobicContact CG2-CE1 4.26Å; H101-F125 HydrophobicContact CB-CD1 3.87Å; H101-F125 HydrophobicContact CB-CE1 3.44Å; H101-F125 VanDerWaalsContact CB-CE1 3.44Å; H101-F125 HydrophobicContact CB-CZ 4.28Å; H101-F125 AromaticContact CD2-CD1 3.91Å; H101-F125 AromaticContact CG-CD1 3.82Å; H101-F125 AromaticContact CG-CE1 3.94Å; I104-F125 HydrophobicContact CD1-CD2 4.25Å; I104-F125 HydrophobicContact CD1-CE2 3.78Å; I104-F125 HydrophobicContact CG1-CE2 3.91Å; F125-G127 PolarHBondContact O-N 3.15Å; F125-V128 HydrophobicContact CB-CB 4.49Å; F125-V128 HydrophobicContact CB-CG2 3.98Å; F125-V128 HydrophobicContact CD1-CG2 3.9Å; F125-V128 HydrophobicContact CG-CG2 4.45Å; F125-V128 PolarHBondContact O-N 3.45Å; F125-V128 VanDerWaalsContact O-N 3.1Å; F125-K154 WeakPolarHBondContact CD2-O 3.29Å; F125-K154 PolarHBondContact N-O 3.36Å
126	E	80.2	Confident	93.1	Very high	129 Å²	129	68.3 Å²	68.3	60%	0.603	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	102	177.4	-58.7	87.6	-178.9	0	0	110.5	G124	G124-E126 WeakPolarHBondContact CA-OE2 3.43Å; G124-E126 PolarHBondContact O-N 2.99Å
127	G	88.1	Confident	93.3	Very high	77 Å²	77	65.1 Å²	65.1	79%	0.794	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.4	-4.8	-179.2	0	0	0	0	0	114.7	F125	F125-G127 PolarHBondContact O-N 3.15Å
128	V	93.2	Very high	93.4	Very high	30 Å²	30	64.9 Å²	64.9	18%	0.182	34%	0.34	C	S	.	.	S	Bend	trans	-64	138.8	166	176.4	0	0	0	0	109.6	L72 V98 F125 P130	L72-V128 HydrophobicContact CD1-CB 4.18Å; L72-V128 HydrophobicContact CD1-CG1 4.11Å; L72-V128 HydrophobicContact CD2-CG1 4.37Å; V98-V128 HydrophobicContact CG1-CG1 4.47Å; V98-V128 HydrophobicContact CG1-CG2 3.93Å; V98-V128 HydrophobicContact CG2-CG1 3.9Å; V98-V128 HydrophobicContact CG2-CG2 4.42Å; F125-V128 HydrophobicContact CB-CB 4.49Å; F125-V128 HydrophobicContact CB-CG2 3.98Å; F125-V128 HydrophobicContact CD1-CG2 3.9Å; F125-V128 HydrophobicContact CG-CG2 4.45Å; F125-V128 PolarHBondContact O-N 3.45Å; F125-V128 VanDerWaalsContact O-N 3.1Å; V128-P130 WeakPolarHBondContact O-CD 3.38Å
129	D	95.3	Very high	93.4	Very high	95 Å²	95	64.4 Å²	64.4	51%	0.508	34%	0.343	S	S	.	.			trans	-56.3	119.4	175.3	179.1	10.6	0	0	0	110.3	Q131 P132	D129-Q131 VanDerWaalsContact C-N 3.3Å; D129-Q131 PolarHBondContact O-N 2.93Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.39Å; D129-Q131 VanDerWaalsContact OD1-CG 3.29Å; D129-Q131 WeakPolarHBondContact OD1-CG 3.38Å; D129-Q131 PolarHBondContact OD1-N 3.19Å; D129-P132 VanDerWaalsContact O-CD 3.31Å; D129-P132 WeakPolarHBondContact O-CD 3.06Å
130	P	95.1	Very high	93.4	Very high	38 Å²	38	61.1 Å²	61.1	25%	0.247	33%	0.326	C	S	.	.	S	Bend	trans	-78.6	-10.8	-179	32.4	-36.9	0	0	0	113.7	V128 L133 H134 S159	V128-P130 WeakPolarHBondContact O-CD 3.38Å; P130-L133 WeakPolarHBondContact O-CB 3.33Å; P130-L133 PolarHBondContact O-N 3.49Å; P130-H134 PolarHBondContact O-CD2 2.85Å; P130-H134 PolarHBondContact O-N 3.3Å; P130-H134 VanDerWaalsContact O-N 3.12Å; P130-S159 VanDerWaalsContact CB-OG 3.24Å; P130-S159 WeakPolarHBondContact CB-OG 3.41Å
131	Q	96.7	Very high	93.5	Very high	99 Å²	99	59 Å²	59	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-55	-44.2	-175.6	-69.5	-57.7	-48	0	0	113.8	D129 L133 H134 E135	D129-Q131 VanDerWaalsContact C-N 3.3Å; D129-Q131 PolarHBondContact O-N 2.93Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.39Å; D129-Q131 VanDerWaalsContact OD1-CG 3.29Å; D129-Q131 WeakPolarHBondContact OD1-CG 3.38Å; D129-Q131 PolarHBondContact OD1-N 3.19Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 3.06Å; Q131-H134 WeakPolarHBondContact O-CB 3.25Å; Q131-H134 PolarHBondContact O-N 3.17Å; Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 2.94Å
132	P	96.9	Very high	93.6	Very high	43 Å²	43	59.5 Å²	59.5	28%	0.279	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-33.3	177.2	-25.6	36.4	0	0	0	113.6	V96 D129 R136	V96-P132 HydrophobicContact CB-CB 4.48Å; V96-P132 HydrophobicContact CG1-CB 3.76Å; V96-P132 HydrophobicContact CG1-CG 4.32Å; V96-P132 HydrophobicContact CG2-CB 3.84Å; D129-P132 VanDerWaalsContact O-CD 3.31Å; D129-P132 WeakPolarHBondContact O-CD 3.06Å; P132-R136 VanDerWaalsContact O-CG 3.31Å; P132-R136 WeakPolarHBondContact O-CG 3.21Å; P132-R136 PolarHBondContact O-N 3.41Å
133	L	96.8	Very high	93.9	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-68.6	-44.2	173.9	-66.8	172.9	0	0	0	110.7	V70 L72 V96 P130 Q131 E135 R136 I137 A156 M163	V70-L133 HydrophobicContact CG1-CD2 3.39Å; L72-L133 HydrophobicContact CD1-CD1 4.45Å; L72-L133 HydrophobicContact CD2-CD1 3.93Å; L72-L133 HydrophobicContact CD2-CD2 4Å; L72-L133 HydrophobicContact CD2-CG 4.01Å; L72-L133 HydrophobicContact CG-CD1 4.19Å; V96-L133 HydrophobicContact CG2-CD2 3.93Å; V96-L133 HydrophobicContact CG2-CG 4.41Å; P130-L133 WeakPolarHBondContact O-CB 3.33Å; P130-L133 PolarHBondContact O-N 3.49Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 3.06Å; L133-E135 PolarHBondContact O-N 2.91Å; L133-R136 PolarHBondContact O-N 2.85Å; L133-I137 WeakPolarHBondContact O-CG1 3.3Å; L133-I137 PolarHBondContact O-N 2.73Å; L133-A156 VanDerWaalsContact CD1-O 3.25Å; L133-A156 WeakPolarHBondContact CD1-O 3.3Å; L133-M163 HydrophobicContact CB-CE 4.1Å; L133-M163 HydrophobicContact CD1-CE 3.89Å
134	H	97.7	Very high	94.4	Very high	16 Å²	16	55.8 Å²	55.8	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-41.5	178.8	-63.4	173.2	0	0	0	112.4	P130 Q131 I137 N138 S159 L166	P130-H134 PolarHBondContact O-CD2 2.85Å; P130-H134 PolarHBondContact O-N 3.3Å; P130-H134 VanDerWaalsContact O-N 3.12Å; Q131-H134 WeakPolarHBondContact O-CB 3.25Å; Q131-H134 PolarHBondContact O-N 3.17Å; H134-I137 PolarHBondContact O-N 2.83Å; H134-N138 WeakPolarHBondContact O-CB 3.47Å; H134-N138 PolarHBondContact O-N 2.87Å; H134-N138 PolarHBondContact O-ND2 3.45Å; H134-S159 PolarHBondContact NE2-OG 2.85Å; H134-L166 HydrophobicContact CB-CD1 4.03Å
135	E	97.4	Very high	95	Very high	111 Å²	111	55.8 Å²	55.8	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-45.7	176.6	-73.4	178.1	175.9	0	0	111.6	Q131 L133 I137 N138 Q139	Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 2.94Å; L133-E135 PolarHBondContact O-N 2.91Å; E135-I137 PolarHBondContact O-N 3.03Å; E135-N138 PolarHBondContact O-N 3.39Å; E135-Q139 VanDerWaalsContact O-CG 3.24Å; E135-Q139 WeakPolarHBondContact O-CG 3.49Å; E135-Q139 PolarHBondContact O-N 3.48Å
136	R	97.6	Very high	95.4	Very high	64 Å²	64	55.7 Å²	55.7	24%	0.242	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-40.8	177.4	-70.9	-177.8	-177.9	-58	18	112.7	M14 V70 D94 F95 P132 L133 A140	M14-R136 HydrophobicContact CE-CB 4.28Å; V70-R136 HydrophobicContact CG1-CB 4.28Å; V70-R136 HydrophobicContact CG2-CB 4.12Å; D94-R136 WeakPolarHBondContact O-CD 3.32Å; D94-R136 PolarHBondContact O-NE 3.44Å; D94-R136 IonicContact OD1-CZ 2.84Å; D94-R136 IonicContact OD1-NE 3.82Å; D94-R136 IonicContact OD1-NH1 2.66Å; D94-R136 PolarHBondContact OD1-NH1 3.05Å; D94-R136 IonicContact OD1-NH2 2.84Å; D94-R136 PolarHBondContact OD1-NH2 3.46Å; D94-R136 WeakPolarHBondContact OD2-CD 3.33Å; D94-R136 IonicContact OD2-CZ 2.79Å; D94-R136 IonicContact OD2-NE 3.43Å; D94-R136 IonicContact OD2-NH1 2.83Å; D94-R136 PolarHBondContact OD2-NH1 2.93Å; F95-R136 PolarHBondContact O-NH2 2.82Å; P132-R136 VanDerWaalsContact O-CG 3.31Å; P132-R136 WeakPolarHBondContact O-CG 3.21Å; P132-R136 PolarHBondContact O-N 3.41Å; L133-R136 PolarHBondContact O-N 2.85Å; R136-A140 WeakPolarHBondContact O-CB 2.96Å; R136-A140 PolarHBondContact O-N 2.9Å
137	I	98	Very high	96.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-55.9	173.8	-68.2	166	0	0	0	109	M14 V16 L133 H134 E135 Q139 A140 L141 L147 M163 L166	M14-I137 HydrophobicContact CE-CB 4.38Å; M14-I137 HydrophobicContact CE-CG1 3.77Å; M14-I137 HydrophobicContact SD-CB 4.44Å; M14-I137 HydrophobicContact SD-CG1 4.1Å; V16-I137 HydrophobicContact CG1-CD1 4.42Å; V16-I137 HydrophobicContact CG2-CD1 4Å; V16-I137 HydrophobicContact CG2-CG1 3.82Å; L133-I137 WeakPolarHBondContact O-CG1 3.3Å; L133-I137 PolarHBondContact O-N 2.73Å; H134-I137 PolarHBondContact O-N 2.83Å; E135-I137 PolarHBondContact O-N 3.03Å; I137-Q139 VanDerWaalsContact C-N 3.27Å; I137-Q139 PolarHBondContact O-N 3.08Å; I137-A140 PolarHBondContact O-N 3.42Å; I137-L141 HydrophobicContact CG2-CD1 4.17Å; I137-L141 HydrophobicContact CG2-CD2 4.1Å; I137-L141 HydrophobicContact CG2-CG 4.03Å; I137-L141 WeakPolarHBondContact O-CG 3.27Å; I137-L141 PolarHBondContact O-N 3.05Å; I137-L147 HydrophobicContact CG2-CD2 4.34Å; I137-M163 HydrophobicContact CD1-CB 3.92Å; I137-M163 HydrophobicContact CD1-CG 3.59Å; I137-M163 HydrophobicContact CD1-SD 3.95Å; I137-L166 HydrophobicContact CG2-CB 4.43Å; I137-L166 HydrophobicContact CG2-CD1 4.44Å
138	N	97.1	Very high	96.8	Very high	83 Å²	83	45.9 Å²	45.9	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-54.7	-40	-179	-81.1	-40.5	0	0	0	113.6	H134 E135 A140 L166	H134-N138 WeakPolarHBondContact O-CB 3.47Å; H134-N138 PolarHBondContact O-N 2.87Å; H134-N138 PolarHBondContact O-ND2 3.45Å; E135-N138 PolarHBondContact O-N 3.39Å; N138-A140 VanDerWaalsContact C-N 3.28Å; N138-A140 PolarHBondContact O-N 3.37Å; N138-L166 WeakPolarHBondContact OD1-CD2 3.4Å
139	Q	96.4	Very high	97	Very high	121 Å²	121	44.4 Å²	44.4	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-67.7	-26	176.8	-71.6	169.5	12.4	0	0	113.5	E135 I137	E135-Q139 VanDerWaalsContact O-CG 3.24Å; E135-Q139 WeakPolarHBondContact O-CG 3.49Å; E135-Q139 PolarHBondContact O-N 3.48Å; I137-Q139 VanDerWaalsContact C-N 3.27Å; I137-Q139 PolarHBondContact O-N 3.08Å
140	A	96.3	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-93.8	-26.3	-176.3	0	0	0	0	0	113.5	M14 R136 I137 N138 S142 S143 I144	M14-A140 HydrophobicContact CE-CB 4.33Å; M14-A140 HydrophobicContact SD-CB 3.59Å; M14-A140 VanDerWaalsContact SD-CB 3.59Å; R136-A140 WeakPolarHBondContact O-CB 2.96Å; R136-A140 PolarHBondContact O-N 2.9Å; I137-A140 PolarHBondContact O-N 3.42Å; N138-A140 VanDerWaalsContact C-N 3.28Å; N138-A140 PolarHBondContact O-N 3.37Å; A140-S142 PolarHBondContact O-N 3.38Å; A140-S143 PolarHBondContact O-N 2.87Å; A140-S143 PolarHBondContact O-OG 3.01Å; A140-I144 PolarHBondContact O-N 3.44Å
141	L	96.4	Very high	97.3	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.079	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.1	-171	-76.2	174.2	0	0	0	114.4	I137 S143 I144 L166 A167 A170 V172	I137-L141 HydrophobicContact CG2-CD1 4.17Å; I137-L141 HydrophobicContact CG2-CD2 4.1Å; I137-L141 HydrophobicContact CG2-CG 4.03Å; I137-L141 WeakPolarHBondContact O-CG 3.27Å; I137-L141 PolarHBondContact O-N 3.05Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.47Å; L141-I144 HydrophobicContact CD2-CD1 4.34Å; L141-L166 HydrophobicContact CD1-CB 4.14Å; L141-L166 WeakPolarHBondContact CD1-O 3.41Å; L141-A167 HydrophobicContact CD2-CB 3.9Å; L141-A170 HydrophobicContact CB-CB 3.93Å; L141-A170 HydrophobicContact CD1-CB 3.84Å; L141-A170 HydrophobicContact CD2-CB 4.31Å; L141-A170 HydrophobicContact CG-CB 4.23Å; L141-V172 HydrophobicContact CD2-CB 4.14Å; L141-V172 HydrophobicContact CD2-CG1 4.48Å; L141-V172 HydrophobicContact CD2-CG2 3.99Å; L141-V172 WeakPolarHBondContact O-CG2 3.32Å
142	S	95.3	Very high	97.1	Very high	116 Å²	116	36.3 Å²	36.3	81%	0.811	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.9	178.6	58.3	0	0	0	0	114.7	A140	A140-S142 PolarHBondContact O-N 3.38Å
143	S	95.1	Very high	97	Very high	80 Å²	80	36.7 Å²	36.7	56%	0.559	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	-0.5	-171.5	64	0	0	0	0	114.2	A140 L141	A140-S143 PolarHBondContact O-N 2.87Å; A140-S143 PolarHBondContact O-OG 3.01Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.47Å
144	I	97.6	Very high	96.9	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.108	22%	0.216	C	C	.	.			trans	-117.9	145.3	-177.2	64	178.4	0	0	0	110.4	G12 M14 A140 L141 L147 V172	G12-I144 CarbonylContact O-C 3.49Å; G12-I144 WeakPolarHBondContact O-CA 3.41Å; G12-I144 WeakPolarHBondContact O-CB 3.43Å; M14-I144 HydrophobicContact CB-CD1 3.46Å; M14-I144 VanDerWaalsContact CB-CD1 3.46Å; M14-I144 HydrophobicContact CB-CG2 4.19Å; M14-I144 HydrophobicContact SD-CD1 4.3Å; A140-I144 PolarHBondContact O-N 3.44Å; L141-I144 HydrophobicContact CD2-CD1 4.34Å; I144-L147 HydrophobicContact CD1-CB 4.46Å; I144-V172 HydrophobicContact CD1-CG1 4.25Å; I144-V172 HydrophobicContact CG1-CG1 4.13Å; I144-V172 HydrophobicContact CG1-CG2 4.46Å
145	G	97.7	Very high	96.8	Very high	27 Å²	27	38.3 Å²	38.3	28%	0.278	22%	0.218	S	C	.	.	S	Bend	trans	-91.8	-14.2	173.1	0	0	0	0	0	113.6	G12 P173	G12-G145 PolarHBondContact O-N 2.71Å; G145-P173 WeakPolarHBondContact O-CD 3.48Å; G145-P173 WeakPolarHBondContact O-CG 3.4Å
146	A	98.4	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149.3	175.5	0	0	0	0	0	112.5	G12 M14 P173 L175 A271 A275	G12-A146 PolarHBondContact O-N 3.1Å; M14-A146 PolarHBondContact N-O 3.16Å; M14-A146 VanDerWaalsContact N-O 3.1Å; A146-P173 HydrophobicContact CB-CG 4.21Å; A146-L175 HydrophobicContact CB-CD1 4.27Å; A146-A271 HydrophobicContact CB-CB 4.35Å; A146-A275 HydrophobicContact CB-CB 4.03Å
147	L	98.7	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.8	170.6	176.5	63.6	0	0	0	109.4	M14 V16 I137 I144 L149 A167 V172 P173 V174 L175	M14-L147 HydrophobicContact CB-CD1 3.9Å; M14-L147 HydrophobicContact CG-CD1 3.95Å; M14-L147 CarbonylContact O-C 3.41Å; M14-L147 WeakPolarHBondContact O-CA 3.41Å; M14-L147 HydrophobicContact SD-CD1 4.04Å; V16-L147 HydrophobicContact CG2-CD1 3.73Å; I137-L147 HydrophobicContact CG2-CD2 4.34Å; I144-L147 HydrophobicContact CD1-CB 4.46Å; L147-L149 HydrophobicContact CD1-CD2 4.08Å; L147-L149 HydrophobicContact CD2-CD2 3.96Å; L147-L149 HydrophobicContact CG-CD2 3.86Å; L147-L149 HydrophobicContact CG-CG 4.41Å; L147-A167 HydrophobicContact CD2-CB 3.65Å; L147-V172 HydrophobicContact CB-CG1 4.18Å; L147-P173 PolarHBondContact N-O 2.56Å; L147-V174 HydrophobicContact CD2-CG2 4.46Å; L147-V174 CarbonylContact O-C 3.48Å; L147-V174 WeakPolarHBondContact O-CA 3.38Å; L147-L175 PolarHBondContact O-N 3.1Å
148	V	98.8	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.1	173.3	-177.9	0	0	0	0	109.5	V13 M14 V15 V16 V56 L175 I267 A271	V13-V148 HydrophobicContact CG1-CG2 3.9Å; M14-V148 PolarHBondContact O-N 3.28Å; V15-V148 CarbonylContact C-O 3.58Å; V15-V148 WeakPolarHBondContact CA-O 3.32Å; V15-V148 HydrophobicContact CG1-CB 4.39Å; V15-V148 HydrophobicContact CG1-CG1 4.45Å; V15-V148 HydrophobicContact CG2-CB 4.25Å; V16-V148 PolarHBondContact N-O 2.65Å; V56-V148 HydrophobicContact CG1-CG1 4.07Å; V148-L175 CarbonylContact C-O 3.52Å; V148-L175 VanDerWaalsContact CA-O 3.31Å; V148-L175 WeakPolarHBondContact CA-O 3.14Å; V148-L175 HydrophobicContact CG2-CB 4.46Å; V148-I267 HydrophobicContact CG1-CD1 3.59Å; V148-I267 HydrophobicContact CG1-CG1 3.9Å; V148-A271 HydrophobicContact CG2-CB 3.26Å
149	L	98.6	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	106.5	171.6	-50.4	-178.7	0	0	0	108.5	V16 L147 L157 V160 M163 I164 V174 L175 I176 D177	V16-L149 HydrophobicContact CB-CD2 3.8Å; V16-L149 HydrophobicContact CG2-CD2 4.32Å; V16-L149 CarbonylContact O-C 3.5Å; V16-L149 VanDerWaalsContact O-CA 3.28Å; V16-L149 WeakPolarHBondContact O-CA 3.47Å; L147-L149 HydrophobicContact CD1-CD2 4.08Å; L147-L149 HydrophobicContact CD2-CD2 3.96Å; L147-L149 HydrophobicContact CG-CD2 3.86Å; L147-L149 HydrophobicContact CG-CG 4.41Å; L149-L157 HydrophobicContact CB-CD1 3.92Å; L149-L157 HydrophobicContact CB-CD2 4.32Å; L149-L157 HydrophobicContact CD2-CD2 4.33Å; L149-V160 HydrophobicContact CD1-CG2 3.76Å; L149-M163 HydrophobicContact CD1-CB 4.22Å; L149-M163 HydrophobicContact CD2-CB 4.48Å; L149-M163 HydrophobicContact CD2-SD 4.33Å; L149-I164 HydrophobicContact CD1-CG1 3.91Å; L149-V174 HydrophobicContact CD1-CG1 3.73Å; L149-V174 HydrophobicContact CG-CG1 3.94Å; L149-L175 PolarHBondContact N-O 2.75Å; L149-I176 HydrophobicContact CB-CD1 4.5Å; L149-I176 HydrophobicContact CB-CG1 4.06Å; L149-I176 HydrophobicContact CB-CG2 4.49Å; L149-I176 HydrophobicContact CD1-CD1 4.02Å; L149-I176 HydrophobicContact CD1-CG1 4.27Å; L149-I176 HydrophobicContact CG-CG1 4.38Å; L149-I176 WeakPolarHBondContact O-CA 3.27Å; L149-D177 PolarHBondContact O-N 3.08Å
150	S	98	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102.2	-175.2	-178.7	0	0	0	0	110.2	V16 G17 D18 Y152	V16-S150 PolarHBondContact O-N 2.7Å; G17-S150 VanDerWaalsContact CA-O 3.25Å; G17-S150 WeakPolarHBondContact CA-O 3.49Å; D18-S150 PolarHBondContact N-O 3.31Å; S150-Y152 WeakPolarHBondContact OG-CE2 3.4Å
151	D	97.1	Very high	96.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.011	17%	0.173	C	C	.	.			trans	-95	122.3	-173.4	-155	-21.4	0	0	0	111.2	A153 L157 D177 K179 R185 Y186	D151-A153 WeakPolarHBondContact OD1-CA 3.29Å; D151-A153 PolarHBondContact OD1-N 2.82Å; D151-L157 HydrophobicContact CB-CD1 3.67Å; D151-D177 WeakPolarHBondContact CB-O 3.22Å; D151-D177 PolarHBondContact N-O 2.75Å; D151-K179 HydrophobicContact CB-CB 4.16Å; D151-K179 WeakPolarHBondContact O-CB 3.26Å; D151-R185 IonicContact OD2-CZ 2.67Å; D151-R185 IonicContact OD2-NH1 3.26Å; D151-Y186 PolarHBondContact OD2-OH 2.82Å
152	Y	94.2	Very high	96.6	Very high	59 Å²	59	29.9 Å²	29.9	23%	0.231	19%	0.19	C	C	.	.			trans	-117	13.9	170.3	-77	-101.8	0	0	0	111.6	D18 M20 S150 D264	D18-Y152 WeakPolarHBondContact OD2-CA 3.41Å; D18-Y152 PolarHBondContact OD2-N 3.38Å; M20-Y152 HydrophobicContact CE-CD1 3.82Å; M20-Y152 HydrophobicContact CE-CD2 4.31Å; M20-Y152 HydrophobicContact CE-CE1 4.43Å; M20-Y152 HydrophobicContact CE-CG 3.75Å; S150-Y152 WeakPolarHBondContact OG-CE2 3.4Å; Y152-D264 PolarHBondContact OH-OD1 2.71Å; Y152-D264 PolarHBondContact OH-OD2 2.71Å
153	A	94.6	Very high	96.7	Very high	52 Å²	52	24.4 Å²	24.4	43%	0.43	15%	0.152	S	C	.	.	S	Bend	trans	54	48.8	-174.6	0	0	0	0	0	112.5	D18 D151 K179	D18-A153 PolarHBondContact OD2-N 3.17Å; D151-A153 WeakPolarHBondContact OD1-CA 3.29Å; D151-A153 PolarHBondContact OD1-N 2.82Å; A153-K179 HydrophobicContact CB-CB 4.22Å; A153-K179 HydrophobicContact CB-CG 4.09Å
154	K	94.7	Very high	96.9	Very high	44 Å²	44	20.7 Å²	20.7	19%	0.191	13%	0.125	C	C	.	.	S	Bend	trans	-115.3	7.6	175	-47.3	-70.3	171.8	-174.9	0	114	D18 I104 E122 F125	D18-K154 HydrophobicContact CB-CB 3.93Å; D18-K154 HydrophobicContact CB-CG 4.07Å; D18-K154 VanDerWaalsContact CG-CB 3.43Å; D18-K154 WeakPolarHBondContact OD1-CB 3.42Å; D18-K154 PolarHBondContact OD2-N 3.05Å; I104-K154 HydrophobicContact CD1-CB 3.32Å; I104-K154 HydrophobicContact CD1-CD 4.28Å; I104-K154 HydrophobicContact CD1-CG 3.67Å; E122-K154 IonicContact OE1-NZ 3.36Å; E122-K154 PolarHBondContact OE1-NZ 2.83Å; E122-K154 VanDerWaalsContact OE2-CE 3.27Å; E122-K154 WeakPolarHBondContact OE2-CE 3.38Å; E122-K154 IonicContact OE2-NZ 2.85Å; E122-K154 PolarHBondContact OE2-NZ 2.67Å; F125-K154 WeakPolarHBondContact CD2-O 3.29Å; F125-K154 PolarHBondContact N-O 3.36Å
155	G	94.3	Very high	96.9	Very high	10 Å²	10	25.1 Å²	25.1	10%	0.103	15%	0.146	C	C	.	.	S	Bend	trans	100	-13	167.9	0	0	0	0	0	115.5	D18 L157 A158	D18-G155 PolarHBondContact OD1-N 3.16Å; G155-L157 PolarHBondContact O-N 3.1Å; G155-L157 VanDerWaalsContact O-N 3.17Å; G155-A158 WeakPolarHBondContact O-CB 2.9Å; G155-A158 PolarHBondContact O-N 3.49Å; G155-A158 VanDerWaalsContact O-N 3.1Å
156	A	95.5	Very high	96.9	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.9	178.4	0	0	0	0	0	112.4	G17 D18 L72 L133 M163	G17-A156 WeakPolarHBondContact O-CB 3.3Å; D18-A156 WeakPolarHBondContact OD1-CB 3.28Å; D18-A156 PolarHBondContact OD1-N 2.89Å; L72-A156 HydrophobicContact CD1-CB 4.27Å; L72-A156 HydrophobicContact CG-CB 4.19Å; L133-A156 VanDerWaalsContact CD1-O 3.25Å; L133-A156 WeakPolarHBondContact CD1-O 3.3Å; A156-M163 WeakPolarHBondContact O-CE 3.28Å
157	L	96.3	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	23	178.8	-62.4	-173.5	0	0	0	113.7	V16 L149 D151 G155 S159 V160 M163 R185	V16-L157 HydrophobicContact CG1-CD2 4Å; L149-L157 HydrophobicContact CB-CD1 3.92Å; L149-L157 HydrophobicContact CB-CD2 4.32Å; L149-L157 HydrophobicContact CD2-CD2 4.33Å; D151-L157 HydrophobicContact CB-CD1 3.67Å; G155-L157 PolarHBondContact O-N 3.1Å; G155-L157 VanDerWaalsContact O-N 3.17Å; L157-S159 PolarHBondContact O-N 2.83Å; L157-S159 VanDerWaalsContact O-N 3.15Å; L157-V160 HydrophobicContact CB-CB 4.28Å; L157-V160 VanDerWaalsContact O-CB 3.27Å; L157-V160 WeakPolarHBondContact O-CB 3.42Å; L157-V160 PolarHBondContact O-N 2.83Å; L157-M163 HydrophobicContact CD2-CE 4.23Å; L157-M163 HydrophobicContact CD2-SD 3.67Å; L157-R185 PolarHBondContact O-NH2 2.6Å
158	A	94.8	Very high	96.8	Very high	62 Å²	62	32 Å²	32	51%	0.512	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.7	178.1	0	0	0	0	0	113.2	G155	G155-A158 WeakPolarHBondContact O-CB 2.9Å; G155-A158 PolarHBondContact O-N 3.49Å; G155-A158 VanDerWaalsContact O-N 3.1Å
159	S	96	Very high	96.7	Very high	10 Å²	10	41.1 Å²	41.1	7%	0.07	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	37.4	177.8	64.6	0	0	0	0	113.2	P130 H134 L157 Q161 Q162 M163	P130-S159 VanDerWaalsContact CB-OG 3.24Å; P130-S159 WeakPolarHBondContact CB-OG 3.41Å; H134-S159 PolarHBondContact NE2-OG 2.85Å; L157-S159 PolarHBondContact O-N 2.83Å; L157-S159 VanDerWaalsContact O-N 3.15Å; S159-Q161 PolarHBondContact O-N 3.32Å; S159-Q162 PolarHBondContact O-N 3Å; S159-Q162 PolarHBondContact O-OE1 3.23Å; S159-Q162 VanDerWaalsContact O-OE1 3.13Å; S159-M163 WeakPolarHBondContact O-CG 3.44Å; S159-M163 PolarHBondContact O-N 3.39Å; S159-M163 WeakPolarHBondContact OG-CE 3.31Å
160	V	97.4	Very high	96.7	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-55.8	-35.5	-174.1	57.4	0	0	0	0	113.4	L149 L157 Q162 M163 I164 I176 R185 Y186	L149-V160 HydrophobicContact CD1-CG2 3.76Å; L157-V160 HydrophobicContact CB-CB 4.28Å; L157-V160 VanDerWaalsContact O-CB 3.27Å; L157-V160 WeakPolarHBondContact O-CB 3.42Å; L157-V160 PolarHBondContact O-N 2.83Å; V160-Q162 PolarHBondContact O-N 2.84Å; V160-M163 WeakPolarHBondContact O-CB 3.39Å; V160-M163 PolarHBondContact O-N 2.79Å; V160-M163 VanDerWaalsContact O-N 3.17Å; V160-I164 HydrophobicContact CG2-CD1 3.93Å; V160-I164 HydrophobicContact CG2-CG1 4.34Å; V160-I164 WeakPolarHBondContact O-CG1 3.3Å; V160-I164 PolarHBondContact O-N 2.83Å; V160-I176 HydrophobicContact CG2-CD1 4.41Å; V160-R185 HydrophobicContact CG1-CB 3.98Å; V160-R185 HydrophobicContact CG1-CG 3.99Å; V160-R185 VanDerWaalsContact CG1-O 3.24Å; V160-R185 WeakPolarHBondContact CG1-O 3.25Å; V160-Y186 HydrophobicContact CG1-CD1 4.4Å; V160-Y186 HydrophobicContact CG1-CE1 4.43Å; V160-Y186 HydrophobicContact CG2-CD1 3.87Å; V160-Y186 HydrophobicContact CG2-CE1 4.09Å
161	Q	97.6	Very high	96.6	Very high	47 Å²	47	46.9 Å²	46.9	22%	0.22	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-43.9	178	-85.1	-63.7	-60.2	0	0	112.5	S159 M163 I164 Q165 R185 R187	S159-Q161 PolarHBondContact O-N 3.32Å; Q161-M163 VanDerWaalsContact C-N 3.32Å; Q161-M163 PolarHBondContact O-N 3.43Å; Q161-I164 PolarHBondContact O-N 2.86Å; Q161-Q165 VanDerWaalsContact O-CG 3.27Å; Q161-Q165 WeakPolarHBondContact O-CG 3.45Å; Q161-Q165 PolarHBondContact O-N 2.87Å; Q161-R185 WeakPolarHBondContact CG-O 3.36Å; Q161-R185 VanDerWaalsContact NE2-C 3.26Å; Q161-R185 PolarHBondContact NE2-O 2.92Å; Q161-R187 PolarHBondContact NE2-O 3.38Å
162	Q	97.5	Very high	96.7	Very high	92 Å²	92	47.3 Å²	47.3	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-40.6	175.9	-68.6	79.3	5	0	0	110.7	S159 V160 I164 Q165 L166	S159-Q162 PolarHBondContact O-N 3Å; S159-Q162 PolarHBondContact O-OE1 3.23Å; S159-Q162 VanDerWaalsContact O-OE1 3.13Å; V160-Q162 PolarHBondContact O-N 2.84Å; Q162-I164 PolarHBondContact O-N 3.48Å; Q162-Q165 PolarHBondContact O-N 3.13Å; Q162-L166 WeakPolarHBondContact O-CG 3.4Å; Q162-L166 PolarHBondContact O-N 3.17Å
163	M	98.2	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-44.7	177.2	-58.5	177.5	-176	0	0	111.8	V16 L133 I137 L149 A156 L157 S159 V160 Q161 Q165 L166 A167	V16-M163 HydrophobicContact CG1-CE 4.41Å; V16-M163 HydrophobicContact CG1-SD 4.12Å; L133-M163 HydrophobicContact CB-CE 4.1Å; L133-M163 HydrophobicContact CD1-CE 3.89Å; I137-M163 HydrophobicContact CD1-CB 3.92Å; I137-M163 HydrophobicContact CD1-CG 3.59Å; I137-M163 HydrophobicContact CD1-SD 3.95Å; L149-M163 HydrophobicContact CD1-CB 4.22Å; L149-M163 HydrophobicContact CD2-CB 4.48Å; L149-M163 HydrophobicContact CD2-SD 4.33Å; A156-M163 WeakPolarHBondContact O-CE 3.28Å; L157-M163 HydrophobicContact CD2-CE 4.23Å; L157-M163 HydrophobicContact CD2-SD 3.67Å; S159-M163 WeakPolarHBondContact O-CG 3.44Å; S159-M163 PolarHBondContact O-N 3.39Å; S159-M163 WeakPolarHBondContact OG-CE 3.31Å; V160-M163 WeakPolarHBondContact O-CB 3.39Å; V160-M163 PolarHBondContact O-N 2.79Å; V160-M163 VanDerWaalsContact O-N 3.17Å; Q161-M163 VanDerWaalsContact C-N 3.32Å; Q161-M163 PolarHBondContact O-N 3.43Å; M163-Q165 VanDerWaalsContact C-N 3.34Å; M163-Q165 PolarHBondContact O-N 3.17Å; M163-L166 PolarHBondContact O-N 2.87Å; M163-A167 PolarHBondContact O-N 3.3Å
164	I	98.5	Very high	97.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-46.7	174.6	-66.9	162.6	0	0	0	110.2	L149 V160 Q161 Q162 L166 A167 R168 V174 I176	L149-I164 HydrophobicContact CD1-CG1 3.91Å; V160-I164 HydrophobicContact CG2-CD1 3.93Å; V160-I164 HydrophobicContact CG2-CG1 4.34Å; V160-I164 WeakPolarHBondContact O-CG1 3.3Å; V160-I164 PolarHBondContact O-N 2.83Å; Q161-I164 PolarHBondContact O-N 2.86Å; Q162-I164 PolarHBondContact O-N 3.48Å; I164-L166 PolarHBondContact O-N 3.37Å; I164-A167 PolarHBondContact O-N 2.95Å; I164-R168 HydrophobicContact CG2-CG 4.15Å; I164-R168 WeakPolarHBondContact O-CB 3.32Å; I164-R168 WeakPolarHBondContact O-CG 3.43Å; I164-R168 PolarHBondContact O-N 3.33Å; I164-V174 HydrophobicContact CG1-CG1 4.15Å; I164-I176 HydrophobicContact CD1-CD1 3.72Å; I164-I176 HydrophobicContact CG1-CD1 4.05Å
165	Q	98	Very high	97.3	Very high	114 Å²	114	41.5 Å²	41.5	53%	0.533	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-41.4	-179.8	-72.3	171.3	-0.9	0	0	112.8	Q161 Q162 M163 K169	Q161-Q165 VanDerWaalsContact O-CG 3.27Å; Q161-Q165 WeakPolarHBondContact O-CG 3.45Å; Q161-Q165 PolarHBondContact O-N 2.87Å; Q162-Q165 PolarHBondContact O-N 3.13Å; M163-Q165 VanDerWaalsContact C-N 3.34Å; M163-Q165 PolarHBondContact O-N 3.17Å; Q165-K169 VanDerWaalsContact O-CB 3.31Å; Q165-K169 WeakPolarHBondContact O-CB 3.42Å; Q165-K169 PolarHBondContact O-N 3.44Å
166	L	98	Very high	97.5	Very high	41 Å²	41	41 Å²	41	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-49.1	176.6	-68.5	176	0	0	0	111.1	H134 I137 N138 L141 Q162 M163 I164 K169 A170	H134-L166 HydrophobicContact CB-CD1 4.03Å; I137-L166 HydrophobicContact CG2-CB 4.43Å; I137-L166 HydrophobicContact CG2-CD1 4.44Å; N138-L166 WeakPolarHBondContact OD1-CD2 3.4Å; L141-L166 HydrophobicContact CD1-CB 4.14Å; L141-L166 WeakPolarHBondContact CD1-O 3.41Å; Q162-L166 WeakPolarHBondContact O-CG 3.4Å; Q162-L166 PolarHBondContact O-N 3.17Å; M163-L166 PolarHBondContact O-N 2.87Å; I164-L166 PolarHBondContact O-N 3.37Å; L166-K169 PolarHBondContact O-N 3.15Å; L166-A170 PolarHBondContact O-N 3.16Å
167	A	98.2	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-43.6	-179.8	0	0	0	0	0	113	L141 L147 M163 I164 K169 A170 G171 V172 V174	L141-A167 HydrophobicContact CD2-CB 3.9Å; L147-A167 HydrophobicContact CD2-CB 3.65Å; M163-A167 PolarHBondContact O-N 3.3Å; I164-A167 PolarHBondContact O-N 2.95Å; A167-K169 VanDerWaalsContact C-N 3.31Å; A167-K169 PolarHBondContact O-N 2.97Å; A167-A170 CarbonylContact O-C 3.54Å; A167-A170 WeakPolarHBondContact O-CA 3.14Å; A167-A170 PolarHBondContact O-N 3.44Å; A167-G171 PolarHBondContact O-N 2.64Å; A167-V172 HydrophobicContact CB-CB 4.36Å; A167-V172 PolarHBondContact O-N 3.19Å; A167-V174 HydrophobicContact CB-CG2 3.36Å
168	R	97	Very high	97.6	Very high	132 Å²	132	41.9 Å²	41.9	50%	0.498	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-42.9	174.7	-74.1	-175	80.8	172.2	2.6	112	I164 A170 G171 G188	I164-R168 HydrophobicContact CG2-CG 4.15Å; I164-R168 WeakPolarHBondContact O-CB 3.32Å; I164-R168 WeakPolarHBondContact O-CG 3.43Å; I164-R168 PolarHBondContact O-N 3.33Å; R168-A170 PolarHBondContact O-N 3.16Å; R168-G171 PolarHBondContact O-N 3.36Å; R168-G188 VanDerWaalsContact CD-O 3.23Å; R168-G188 WeakPolarHBondContact CD-O 3.49Å
169	K	97.1	Very high	97.6	Very high	191 Å²	191	42.7 Å²	42.7	83%	0.83	22%	0.223	S	C	*	.	H	α-helix	trans	-61.8	-31.3	177.2	-175.7	178.7	176.8	-176.8	0	112.1	Q165 L166 A167	Q165-K169 VanDerWaalsContact O-CB 3.31Å; Q165-K169 WeakPolarHBondContact O-CB 3.42Å; Q165-K169 PolarHBondContact O-N 3.44Å; L166-K169 PolarHBondContact O-N 3.15Å; A167-K169 VanDerWaalsContact C-N 3.31Å; A167-K169 PolarHBondContact O-N 2.97Å
170	A	97.5	Very high	97.4	Very high	54 Å²	54	44.3 Å²	44.3	45%	0.446	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.5	175.1	0	0	0	0	0	114.1	L141 L166 A167 R168 V172	L141-A170 HydrophobicContact CB-CB 3.93Å; L141-A170 HydrophobicContact CD1-CB 3.84Å; L141-A170 HydrophobicContact CD2-CB 4.31Å; L141-A170 HydrophobicContact CG-CB 4.23Å; L166-A170 PolarHBondContact O-N 3.16Å; A167-A170 CarbonylContact O-C 3.54Å; A167-A170 WeakPolarHBondContact O-CA 3.14Å; A167-A170 PolarHBondContact O-N 3.44Å; R168-A170 PolarHBondContact O-N 3.16Å; A170-V172 VanDerWaalsContact C-N 3.27Å; A170-V172 HydrophobicContact CB-CG2 4.21Å; A170-V172 PolarHBondContact O-N 3.42Å
171	G	97.1	Very high	97.2	Very high	66 Å²	66	48.8 Å²	48.8	68%	0.68	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	16.9	-176.6	0	0	0	0	0	114.4	A167 R168	A167-G171 PolarHBondContact O-N 2.64Å; R168-G171 PolarHBondContact O-N 3.36Å
172	V	98.1	Very high	97.1	Very high	11 Å²	11	51 Å²	51	7%	0.067	28%	0.283	C	S	.	.			trans	-89.3	127.5	178.6	177.6	0	0	0	0	109.4	L141 I144 L147 A167 A170	L141-V172 HydrophobicContact CD2-CB 4.14Å; L141-V172 HydrophobicContact CD2-CG1 4.48Å; L141-V172 HydrophobicContact CD2-CG2 3.99Å; L141-V172 WeakPolarHBondContact O-CG2 3.32Å; I144-V172 HydrophobicContact CD1-CG1 4.25Å; I144-V172 HydrophobicContact CG1-CG1 4.13Å; I144-V172 HydrophobicContact CG1-CG2 4.46Å; L147-V172 HydrophobicContact CB-CG1 4.18Å; A167-V172 HydrophobicContact CB-CB 4.36Å; A167-V172 PolarHBondContact O-N 3.19Å; A170-V172 VanDerWaalsContact C-N 3.27Å; A170-V172 HydrophobicContact CB-CG2 4.21Å; A170-V172 PolarHBondContact O-N 3.42Å
173	P	98.3	Very high	97.1	Very high	34 Å²	34	46.6 Å²	46.6	22%	0.221	26%	0.262	C	S	.	.			trans	-65.8	139.3	177	27.2	-34.1	0	0	0	111.5	G145 A146 L147 L175 T190	G145-P173 WeakPolarHBondContact O-CD 3.48Å; G145-P173 WeakPolarHBondContact O-CG 3.4Å; A146-P173 HydrophobicContact CB-CG 4.21Å; L147-P173 PolarHBondContact N-O 2.56Å; P173-L175 HydrophobicContact CB-CD1 4.45Å; P173-T190 WeakPolarHBondContact CA-OG1 3.38Å; P173-T190 HydrophobicContact CB-CG2 3.97Å
174	V	98.7	Very high	97	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.4	-178.7	-171.9	0	0	0	0	110.1	L147 L149 I164 A167 I176 T190 L191	L147-V174 HydrophobicContact CD2-CG2 4.46Å; L147-V174 CarbonylContact O-C 3.48Å; L147-V174 WeakPolarHBondContact O-CA 3.38Å; L149-V174 HydrophobicContact CD1-CG1 3.73Å; L149-V174 HydrophobicContact CG-CG1 3.94Å; I164-V174 HydrophobicContact CG1-CG1 4.15Å; A167-V174 HydrophobicContact CB-CG2 3.36Å; V174-I176 HydrophobicContact CG1-CD1 4.22Å; V174-I176 HydrophobicContact CG1-CG1 3.99Å; V174-T190 PolarHBondContact N-OG1 3Å; V174-T190 WeakPolarHBondContact O-CA 3.37Å; V174-T190 VanDerWaalsContact O-CB 3.3Å; V174-T190 WeakPolarHBondContact O-CB 3.32Å; V174-T190 PolarHBondContact O-N 3.34Å; V174-L191 PolarHBondContact O-N 3.11Å
175	L	98.7	Very high	97	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136	175.8	-67.8	74.5	0	0	0	108.8	A146 L147 V148 L149 P173 L191 I267 L270 A271 L274	A146-L175 HydrophobicContact CB-CD1 4.27Å; L147-L175 PolarHBondContact O-N 3.1Å; V148-L175 CarbonylContact C-O 3.52Å; V148-L175 VanDerWaalsContact CA-O 3.31Å; V148-L175 WeakPolarHBondContact CA-O 3.14Å; V148-L175 HydrophobicContact CG2-CB 4.46Å; L149-L175 PolarHBondContact N-O 2.75Å; P173-L175 HydrophobicContact CB-CD1 4.45Å; L175-L191 CarbonylContact C-O 3.5Å; L175-L191 WeakPolarHBondContact CA-O 3.29Å; L175-L191 HydrophobicContact CD2-CD2 4.06Å; L175-L191 HydrophobicContact CG-CB 4.16Å; L175-L191 HydrophobicContact CG-CD2 4.25Å; L175-I267 HydrophobicContact CB-CD1 4.24Å; L175-I267 HydrophobicContact CB-CG1 4.23Å; L175-I267 HydrophobicContact CD2-CG1 4.46Å; L175-L270 HydrophobicContact CD2-CB 3.65Å; L175-A271 HydrophobicContact CD2-CB 4.08Å; L175-L274 HydrophobicContact CD1-CD1 3.91Å; L175-L274 HydrophobicContact CD2-CD1 3.97Å; L175-L274 HydrophobicContact CG-CD1 4.29Å
176	I	98.6	Very high	97	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.3	-175.8	-53	-171.1	0	0	0	110.3	L149 V160 I164 V174 P178 Y186 A189 L191 L192 T193	L149-I176 HydrophobicContact CB-CD1 4.5Å; L149-I176 HydrophobicContact CB-CG1 4.06Å; L149-I176 HydrophobicContact CB-CG2 4.49Å; L149-I176 HydrophobicContact CD1-CD1 4.02Å; L149-I176 HydrophobicContact CD1-CG1 4.27Å; L149-I176 HydrophobicContact CG-CG1 4.38Å; L149-I176 WeakPolarHBondContact O-CA 3.27Å; V160-I176 HydrophobicContact CG2-CD1 4.41Å; I164-I176 HydrophobicContact CD1-CD1 3.72Å; I164-I176 HydrophobicContact CG1-CD1 4.05Å; V174-I176 HydrophobicContact CG1-CD1 4.22Å; V174-I176 HydrophobicContact CG1-CG1 3.99Å; I176-P178 WeakPolarHBondContact O-CD 3.42Å; I176-Y186 HydrophobicContact CD1-CD1 3.81Å; I176-Y186 HydrophobicContact CD1-CG 4.21Å; I176-Y186 HydrophobicContact CG2-CD1 3.75Å; I176-Y186 HydrophobicContact CG2-CE1 3.81Å; I176-Y186 HydrophobicContact CG2-CG 4.16Å; I176-A189 HydrophobicContact CD1-CB 3.55Å; I176-A189 HydrophobicContact CG1-CB 3.98Å; I176-L191 PolarHBondContact N-O 3.09Å; I176-L192 HydrophobicContact CB-CD1 3.62Å; I176-L192 HydrophobicContact CG2-CD1 3.7Å; I176-T193 PolarHBondContact O-N 3.22Å; I176-T193 PolarHBondContact O-OG1 2.8Å
177	D	97.3	Very high	97	Very high	21 Å²	21	49 Å²	49	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.1	163.6	-173.8	14.6	0	0	0	107.4	L149 D151 I267	L149-D177 PolarHBondContact O-N 3.08Å; D151-D177 WeakPolarHBondContact CB-O 3.22Å; D151-D177 PolarHBondContact N-O 2.75Å; D177-I267 HydrophobicContact CB-CD1 3.73Å; D177-I267 VanDerWaalsContact N-CD1 3.34Å
178	P	96.7	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.			trans	-80.9	158.9	-166.8	31	-33.7	0	0	0	113.4	I176 F183 Y186 L192 P194	I176-P178 WeakPolarHBondContact O-CD 3.42Å; P178-F183 HydrophobicContact CB-CD1 4.38Å; P178-F183 HydrophobicContact CB-CE1 3.7Å; P178-F183 HydrophobicContact CB-CZ 3.79Å; P178-F183 HydrophobicContact CG-CE1 4.26Å; P178-F183 HydrophobicContact CG-CE2 4.44Å; P178-F183 HydrophobicContact CG-CZ 3.83Å; P178-Y186 HydrophobicContact CB-CD2 4.12Å; P178-Y186 HydrophobicContact CB-CE2 3.5Å; P178-L192 HydrophobicContact CB-CD1 3.87Å; P178-L192 HydrophobicContact CB-CG 4.32Å; P178-L192 HydrophobicContact CG-CD1 4.1Å; P178-L192 HydrophobicContact CG-CG 4.13Å; P178-P194 HydrophobicContact CG-CB 3.73Å
179	K	94.7	Very high	97.1	Very high	78 Å²	78	42.7 Å²	42.7	34%	0.339	24%	0.243	S	C	.	.			trans	-137.5	147.7	166.6	-144	70.7	-171.9	165	0	113.1	D151 A153 Y186 E198	D151-K179 HydrophobicContact CB-CB 4.16Å; D151-K179 WeakPolarHBondContact O-CB 3.26Å; A153-K179 HydrophobicContact CB-CB 4.22Å; A153-K179 HydrophobicContact CB-CG 4.09Å; K179-Y186 PolarHBondContact N-OH 3.07Å; K179-Y186 PolarHBondContact O-OH 3.24Å; K179-E198 IonicContact NZ-OE1 3.44Å; K179-E198 PolarHBondContact NZ-OE1 2.98Å
180	G	92.7	Very high	97.1	Very high	44 Å²	44	35.2 Å²	35.2	45%	0.454	21%	0.213	S	C	.	.	S	Bend	trans	78.9	-160.3	-178.9	0	0	0	0	0	112.6	F183	G180-F183 WeakPolarHBondContact O-CE1 3.42Å
181	T	93.6	Very high	97.2	Very high	97 Å²	97	32.6 Å²	32.6	60%	0.595	19%	0.192	S	C	*	.	S	Bend	trans	-114.6	-7.2	-173.6	55.8	0	0	0	0	113.6	F183 A201	T181-F183 PolarHBondContact O-N 2.98Å; T181-A201 HydrophobicContact CG2-CB 4.06Å
182	D	95.3	Very high	97.2	Very high	94 Å²	94	29.5 Å²	29.5	50%	0.503	16%	0.16	S	C	.	.			trans	-93.2	88.4	178.7	179.6	18.7	0	0	0	110	E184 R185	D182-E184 VanDerWaalsContact C-N 3.34Å; D182-E184 VanDerWaalsContact OD1-CB 3.29Å; D182-E184 WeakPolarHBondContact OD1-CB 3.49Å; D182-E184 PolarHBondContact OD1-N 2.87Å; D182-R185 WeakPolarHBondContact O-CD 3.15Å; D182-R185 VanDerWaalsContact O-CG 3.29Å; D182-R185 WeakPolarHBondContact O-CG 3.41Å
183	F	96.5	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.			trans	-85.2	-7.3	178.5	-76.5	14.8	0	0	0	113.2	P178 G180 T181 R185 Y186 L192 P194 E198 V202 L219 Y223	P178-F183 HydrophobicContact CB-CD1 4.38Å; P178-F183 HydrophobicContact CB-CE1 3.7Å; P178-F183 HydrophobicContact CB-CZ 3.79Å; P178-F183 HydrophobicContact CG-CE1 4.26Å; P178-F183 HydrophobicContact CG-CE2 4.44Å; P178-F183 HydrophobicContact CG-CZ 3.83Å; G180-F183 WeakPolarHBondContact O-CE1 3.42Å; T181-F183 PolarHBondContact O-N 2.98Å; F183-R185 PolarHBondContact O-N 3.31Å; F183-Y186 HydrophobicContact CB-CD2 4.28Å; F183-Y186 HydrophobicContact CD1-CD2 4.05Å; F183-Y186 AromaticContact CD1-CE2 3.91Å; F183-Y186 HydrophobicContact CD1-CE2 3.91Å; F183-Y186 HydrophobicContact CE1-CE2 4.33Å; F183-Y186 HydrophobicContact CG-CD2 4.21Å; F183-Y186 WeakPolarHBondContact O-CB 3.21Å; F183-Y186 PolarHBondContact O-N 2.84Å; F183-L192 HydrophobicContact CD2-CD2 3.38Å; F183-L192 HydrophobicContact CE2-CD2 3.66Å; F183-L192 HydrophobicContact CG-CD2 4.04Å; F183-L192 HydrophobicContact CZ-CD2 4.49Å; F183-P194 HydrophobicContact CE2-CB 4.11Å; F183-P194 HydrophobicContact CE2-CG 4.27Å; F183-P194 HydrophobicContact CZ-CB 4.08Å; F183-E198 HydrophobicContact CZ-CB 4.5Å; F183-V202 HydrophobicContact CD1-CG2 3.85Å; F183-V202 HydrophobicContact CD2-CB 4.43Å; F183-V202 HydrophobicContact CD2-CG1 4.33Å; F183-V202 HydrophobicContact CD2-CG2 3.9Å; F183-V202 HydrophobicContact CE1-CG2 3.83Å; F183-V202 HydrophobicContact CE2-CG2 3.88Å; F183-V202 HydrophobicContact CG-CG1 4.42Å; F183-V202 HydrophobicContact CG-CG2 3.88Å; F183-V202 HydrophobicContact CZ-CG2 3.85Å; F183-L219 HydrophobicContact CD2-CD1 4.04Å; F183-Y223 HydrophobicContact CB-CD2 3.97Å; F183-Y223 HydrophobicContact CB-CE2 3.56Å
184	E	97.3	Very high	97.2	Very high	79 Å²	79	27.7 Å²	27.7	37%	0.369	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-58.5	-36.8	174.4	178.2	64.4	-152.8	0	0	110.9	D182 Y186 R187 Y223	D182-E184 VanDerWaalsContact C-N 3.34Å; D182-E184 VanDerWaalsContact OD1-CB 3.29Å; D182-E184 WeakPolarHBondContact OD1-CB 3.49Å; D182-E184 PolarHBondContact OD1-N 2.87Å; E184-Y186 PolarHBondContact O-N 3.31Å; E184-R187 VanDerWaalsContact O-CB 3.22Å; E184-R187 WeakPolarHBondContact O-CB 3.42Å; E184-R187 PolarHBondContact O-N 3.2Å; E184-R187 IonicContact OE1-CZ 3.4Å; E184-R187 IonicContact OE1-NE 3.05Å; E184-R187 PolarHBondContact OE1-NE 2.92Å; E184-R187 IonicContact OE1-NH2 3.1Å; E184-R187 PolarHBondContact OE1-NH2 3.32Å; E184-R187 IonicContact OE2-CZ 2.61Å; E184-R187 IonicContact OE2-NE 3.41Å; E184-R187 IonicContact OE2-NH2 3.96Å; E184-R187 PolarHBondContact OE2-NH2 2.86Å; E184-Y223 HydrophobicContact CB-CD1 4.34Å; E184-Y223 HydrophobicContact CB-CE1 3.93Å; E184-Y223 WeakPolarHBondContact OE2-CD1 3.46Å; E184-Y223 WeakPolarHBondContact OE2-CE1 3.47Å
185	R	97.2	Very high	97.1	Very high	69 Å²	69	30.3 Å²	30.3	26%	0.26	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-61.7	-13.5	176.1	78.7	-173.5	-66	-166.1	-2.8	113.8	D151 L157 V160 Q161 D182 F183	D151-R185 IonicContact OD2-CZ 2.67Å; D151-R185 IonicContact OD2-NH1 3.26Å; L157-R185 PolarHBondContact O-NH2 2.6Å; V160-R185 HydrophobicContact CG1-CB 3.98Å; V160-R185 HydrophobicContact CG1-CG 3.99Å; V160-R185 VanDerWaalsContact CG1-O 3.24Å; V160-R185 WeakPolarHBondContact CG1-O 3.25Å; Q161-R185 WeakPolarHBondContact CG-O 3.36Å; Q161-R185 VanDerWaalsContact NE2-C 3.26Å; Q161-R185 PolarHBondContact NE2-O 2.92Å; D182-R185 WeakPolarHBondContact O-CD 3.15Å; D182-R185 VanDerWaalsContact O-CG 3.29Å; D182-R185 WeakPolarHBondContact O-CG 3.41Å; F183-R185 PolarHBondContact O-N 3.31Å
186	Y	98.3	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-99.9	9	176.7	-54	-49.3	0	0	0	113	D151 V160 I176 P178 K179 F183 E184 G188 A189 L192	D151-Y186 PolarHBondContact OD2-OH 2.82Å; V160-Y186 HydrophobicContact CG1-CD1 4.4Å; V160-Y186 HydrophobicContact CG1-CE1 4.43Å; V160-Y186 HydrophobicContact CG2-CD1 3.87Å; V160-Y186 HydrophobicContact CG2-CE1 4.09Å; I176-Y186 HydrophobicContact CD1-CD1 3.81Å; I176-Y186 HydrophobicContact CD1-CG 4.21Å; I176-Y186 HydrophobicContact CG2-CD1 3.75Å; I176-Y186 HydrophobicContact CG2-CE1 3.81Å; I176-Y186 HydrophobicContact CG2-CG 4.16Å; P178-Y186 HydrophobicContact CB-CD2 4.12Å; P178-Y186 HydrophobicContact CB-CE2 3.5Å; K179-Y186 PolarHBondContact N-OH 3.07Å; K179-Y186 PolarHBondContact O-OH 3.24Å; F183-Y186 HydrophobicContact CB-CD2 4.28Å; F183-Y186 HydrophobicContact CD1-CD2 4.05Å; F183-Y186 AromaticContact CD1-CE2 3.91Å; F183-Y186 HydrophobicContact CD1-CE2 3.91Å; F183-Y186 HydrophobicContact CE1-CE2 4.33Å; F183-Y186 HydrophobicContact CG-CD2 4.21Å; F183-Y186 WeakPolarHBondContact O-CB 3.21Å; F183-Y186 PolarHBondContact O-N 2.84Å; E184-Y186 PolarHBondContact O-N 3.31Å; Y186-G188 PolarHBondContact O-N 3.47Å; Y186-A189 WeakPolarHBondContact O-CB 3.36Å; Y186-A189 PolarHBondContact O-N 3.3Å; Y186-A189 VanDerWaalsContact O-N 3.17Å; Y186-L192 HydrophobicContact CD2-CD1 3.82Å; Y186-L192 HydrophobicContact CD2-CD2 4.4Å; Y186-L192 HydrophobicContact CE2-CD1 4.49Å; Y186-L192 HydrophobicContact CG-CD1 4.03Å
187	R	98.4	Very high	96.9	Very high	58 Å²	58	36.2 Å²	36.2	22%	0.219	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	130.9	178.9	176.9	178.7	-65.6	-70.9	-11.5	112.3	Q161 E184 D222 Y223 E224	Q161-R187 PolarHBondContact NE2-O 3.38Å; E184-R187 VanDerWaalsContact O-CB 3.22Å; E184-R187 WeakPolarHBondContact O-CB 3.42Å; E184-R187 PolarHBondContact O-N 3.2Å; E184-R187 IonicContact OE1-CZ 3.4Å; E184-R187 IonicContact OE1-NE 3.05Å; E184-R187 PolarHBondContact OE1-NE 2.92Å; E184-R187 IonicContact OE1-NH2 3.1Å; E184-R187 PolarHBondContact OE1-NH2 3.32Å; E184-R187 IonicContact OE2-CZ 2.61Å; E184-R187 IonicContact OE2-NE 3.41Å; E184-R187 IonicContact OE2-NH2 3.96Å; E184-R187 PolarHBondContact OE2-NH2 2.86Å; R187-D222 VanDerWaalsContact CZ-O 3.24Å; R187-D222 PolarHBondContact NH1-O 3.29Å; R187-D222 PolarHBondContact NH2-O 3.4Å; R187-Y223 CarbonylContact C-O 3.36Å; R187-Y223 WeakPolarHBondContact CA-O 3.48Å; R187-E224 HydrophobicContact CG-CB 4.38Å; R187-E224 IonicContact CZ-OE1 2.66Å; R187-E224 IonicContact NH1-OE1 2.74Å; R187-E224 PolarHBondContact NH1-OE1 3.48Å
188	G	98.1	Very high	96.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	0.6	176.1	0	0	0	0	0	115.8	R168 Y186 Y223 E224	R168-G188 VanDerWaalsContact CD-O 3.23Å; R168-G188 WeakPolarHBondContact CD-O 3.49Å; Y186-G188 PolarHBondContact O-N 3.47Å; G188-Y223 PolarHBondContact N-O 2.98Å; G188-E224 WeakPolarHBondContact CA-O 3.32Å
189	A	98.5	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.			trans	-62.2	153.5	175	0	0	0	0	0	112	I176 Y186 L225 S226	I176-A189 HydrophobicContact CD1-CB 3.55Å; I176-A189 HydrophobicContact CG1-CB 3.98Å; Y186-A189 WeakPolarHBondContact O-CB 3.36Å; Y186-A189 PolarHBondContact O-N 3.3Å; Y186-A189 VanDerWaalsContact O-N 3.17Å; A189-L225 HydrophobicContact CB-CD2 3.99Å; A189-L225 WeakPolarHBondContact O-CA 3.39Å; A189-S226 PolarHBondContact O-N 3.19Å
190	T	98.5	Very high	97	Very high	33 Å²	33	33.7 Å²	33.7	20%	0.202	19%	0.188	C	C	.	.	S	Bend	trans	-72.2	-46.8	176.4	-54.1	0	0	0	0	110.5	P173 V174 S226 A227	P173-T190 WeakPolarHBondContact CA-OG1 3.38Å; P173-T190 HydrophobicContact CB-CG2 3.97Å; V174-T190 PolarHBondContact N-OG1 3Å; V174-T190 WeakPolarHBondContact O-CA 3.37Å; V174-T190 VanDerWaalsContact O-CB 3.3Å; V174-T190 WeakPolarHBondContact O-CB 3.32Å; V174-T190 PolarHBondContact O-N 3.34Å; T190-S226 CarbonylContact O-C 3.59Å; T190-S226 WeakPolarHBondContact O-CA 3.38Å; T190-S226 VanDerWaalsContact O-CB 3.27Å; T190-S226 WeakPolarHBondContact O-CB 3.24Å; T190-S226 PolarHBondContact O-N 2.96Å; T190-A227 PolarHBondContact O-N 3.38Å
191	L	98.5	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.7	-179.4	-178	70.9	0	0	0	110.4	V174 L175 I176 T193 A227 L229 L239 L270 L280	V174-L191 PolarHBondContact O-N 3.11Å; L175-L191 CarbonylContact C-O 3.5Å; L175-L191 WeakPolarHBondContact CA-O 3.29Å; L175-L191 HydrophobicContact CD2-CD2 4.06Å; L175-L191 HydrophobicContact CG-CB 4.16Å; L175-L191 HydrophobicContact CG-CD2 4.25Å; I176-L191 PolarHBondContact N-O 3.09Å; L191-T193 HydrophobicContact CD2-CG2 3.72Å; L191-T193 HydrophobicContact CG-CG2 3.87Å; L191-A227 WeakPolarHBondContact CA-O 3.45Å; L191-A227 HydrophobicContact CD1-CB 3.62Å; L191-L229 HydrophobicContact CD1-CB 3.96Å; L191-L239 HydrophobicContact CD1-CD1 4.28Å; L191-L270 HydrophobicContact CD2-CD1 3.91Å; L191-L270 HydrophobicContact CD2-CD2 4.4Å; L191-L280 HydrophobicContact CD1-CD1 4.37Å; L191-L280 HydrophobicContact CD1-CD2 4.35Å; L191-L280 HydrophobicContact CD2-CD1 3.9Å
192	L	98.3	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.2	167.1	-162.3	66.5	0	0	0	109	I176 P178 F183 Y186 P194 L219 L225 A227 L228 L229	I176-L192 HydrophobicContact CB-CD1 3.62Å; I176-L192 HydrophobicContact CG2-CD1 3.7Å; P178-L192 HydrophobicContact CB-CD1 3.87Å; P178-L192 HydrophobicContact CB-CG 4.32Å; P178-L192 HydrophobicContact CG-CD1 4.1Å; P178-L192 HydrophobicContact CG-CG 4.13Å; F183-L192 HydrophobicContact CD2-CD2 3.38Å; F183-L192 HydrophobicContact CE2-CD2 3.66Å; F183-L192 HydrophobicContact CG-CD2 4.04Å; F183-L192 HydrophobicContact CZ-CD2 4.49Å; Y186-L192 HydrophobicContact CD2-CD1 3.82Å; Y186-L192 HydrophobicContact CD2-CD2 4.4Å; Y186-L192 HydrophobicContact CE2-CD1 4.49Å; Y186-L192 HydrophobicContact CG-CD1 4.03Å; L192-P194 WeakPolarHBondContact O-CD 3.4Å; L192-L219 HydrophobicContact CD2-CD2 4.49Å; L192-L225 HydrophobicContact CB-CD1 3.9Å; L192-L225 HydrophobicContact CD2-CD1 4.11Å; L192-A227 PolarHBondContact N-O 3.34Å; L192-L228 HydrophobicContact CB-CD1 3.87Å; L192-L228 HydrophobicContact CD2-CD1 4.32Å; L192-L228 HydrophobicContact CG-CD1 4.42Å; L192-L229 PolarHBondContact O-N 2.78Å
193	T	98.2	Very high	97.5	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.049	16%	0.16	C	C	.	.			trans	-121.8	46.9	-171.1	57.6	0	0	0	0	114.8	I176 L191 L229 L270	I176-T193 PolarHBondContact O-N 3.22Å; I176-T193 PolarHBondContact O-OG1 2.8Å; L191-T193 HydrophobicContact CD2-CG2 3.72Å; L191-T193 HydrophobicContact CG-CG2 3.87Å; T193-L229 CarbonylContact C-O 3.36Å; T193-L229 VanDerWaalsContact CA-O 3.3Å; T193-L229 WeakPolarHBondContact CA-O 3.34Å; T193-L229 HydrophobicContact CG2-CB 4.28Å; T193-L229 HydrophobicContact CG2-CD2 4.35Å; T193-L270 HydrophobicContact CG2-CD1 3.99Å
194	P	97.9	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.			trans	-65.8	148.7	-177.2	31.4	-35.1	0	0	0	111.6	P178 F183 L192 E198 F199 L228 L229 V230 T231	P178-P194 HydrophobicContact CG-CB 3.73Å; F183-P194 HydrophobicContact CE2-CB 4.11Å; F183-P194 HydrophobicContact CE2-CG 4.27Å; F183-P194 HydrophobicContact CZ-CB 4.08Å; L192-P194 WeakPolarHBondContact O-CD 3.4Å; P194-E198 HydrophobicContact CB-CB 3.91Å; P194-F199 HydrophobicContact CB-CB 4.24Å; P194-F199 HydrophobicContact CG-CB 4.1Å; P194-L228 HydrophobicContact CG-CD1 3.81Å; P194-L229 WeakPolarHBondContact CD-O 3.49Å; P194-V230 WeakPolarHBondContact O-CA 3.37Å; P194-T231 PolarHBondContact O-N 3.15Å
195	N	96.5	Very high	97.4	Very high	55 Å²	55	33.4 Å²	33.4	29%	0.294	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-72.2	165.5	160.9	70.7	58.8	0	0	0	111.3	S197 E198 F199 T231	N195-S197 PolarHBondContact O-N 2.86Å; N195-S197 WeakPolarHBondContact OD1-CA 3.44Å; N195-S197 WeakPolarHBondContact OD1-CB 3.27Å; N195-S197 PolarHBondContact OD1-N 3.37Å; N195-E198 VanDerWaalsContact CG-OE2 3.32Å; N195-E198 PolarHBondContact N-OE2 3.07Å; N195-E198 PolarHBondContact ND2-OE1 2.84Å; N195-E198 PolarHBondContact ND2-OE2 3.19Å; N195-E198 PolarHBondContact O-N 3.15Å; N195-E198 VanDerWaalsContact O-N 3.13Å; N195-E198 PolarHBondContact OD1-N 2.84Å; N195-F199 WeakPolarHBondContact O-CB 3.46Å; N195-F199 PolarHBondContact O-N 3.28Å; N195-T231 CarbonylContact C-O 3.51Å; N195-T231 WeakPolarHBondContact CA-O 3.46Å; N195-T231 VanDerWaalsContact CA-OG1 3.31Å; N195-T231 WeakPolarHBondContact CA-OG1 3.45Å
196	L	96.3	Very high	97.3	Very high	42 Å²	42	31.1 Å²	31.1	22%	0.22	18%	0.181	C	C	.	.	H	α-helix	trans	-55.4	-37.6	-177.9	-177	62.1	0	0	0	112.7	F199 E200 I212 V230 T231	L196-F199 HydrophobicContact CD1-CD1 4.33Å; L196-F199 PolarHBondContact O-N 3.46Å; L196-E200 HydrophobicContact CD1-CG 4.07Å; L196-E200 HydrophobicContact CG-CG 4.31Å; L196-E200 VanDerWaalsContact O-CB 3.32Å; L196-E200 WeakPolarHBondContact O-CB 3.41Å; L196-E200 WeakPolarHBondContact O-CG 3.12Å; L196-E200 PolarHBondContact O-N 3.44Å; L196-I212 HydrophobicContact CD1-CD1 4.17Å; L196-V230 HydrophobicContact CB-CG1 4.46Å; L196-V230 HydrophobicContact CD1-CG1 4.25Å; L196-T231 PolarHBondContact N-O 3.26Å
197	S	95.7	Very high	97	Very high	81 Å²	81	39.9 Å²	39.9	57%	0.566	22%	0.22	S	C	*	.	H	α-helix	trans	-69.9	-40.2	179.4	-63.1	0	0	0	0	112.3	N195 A201	N195-S197 PolarHBondContact O-N 2.86Å; N195-S197 WeakPolarHBondContact OD1-CA 3.44Å; N195-S197 WeakPolarHBondContact OD1-CB 3.27Å; N195-S197 PolarHBondContact OD1-N 3.37Å; S197-A201 WeakPolarHBondContact O-CB 3.37Å; S197-A201 PolarHBondContact O-N 3.24Å
198	E	97	Very high	96.8	Very high	24 Å²	24	40 Å²	40	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-42.7	174.6	-74.7	162.6	170.7	0	0	111.3	K179 F183 P194 N195 A201	K179-E198 IonicContact NZ-OE1 3.44Å; K179-E198 PolarHBondContact NZ-OE1 2.98Å; F183-E198 HydrophobicContact CZ-CB 4.5Å; P194-E198 HydrophobicContact CB-CB 3.91Å; N195-E198 VanDerWaalsContact CG-OE2 3.32Å; N195-E198 PolarHBondContact N-OE2 3.07Å; N195-E198 PolarHBondContact ND2-OE1 2.84Å; N195-E198 PolarHBondContact ND2-OE2 3.19Å; N195-E198 PolarHBondContact O-N 3.15Å; N195-E198 VanDerWaalsContact O-N 3.13Å; N195-E198 PolarHBondContact OD1-N 2.84Å; E198-A201 PolarHBondContact O-N 3.05Å
199	F	97.7	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-51.3	174.6	175.1	-111	0	0	0	111.7	P194 N195 L196 A201 V202 V203 I212 R215 L219 L228 V230	P194-F199 HydrophobicContact CB-CB 4.24Å; P194-F199 HydrophobicContact CG-CB 4.1Å; N195-F199 WeakPolarHBondContact O-CB 3.46Å; N195-F199 PolarHBondContact O-N 3.28Å; L196-F199 HydrophobicContact CD1-CD1 4.33Å; L196-F199 PolarHBondContact O-N 3.46Å; F199-A201 VanDerWaalsContact C-N 3.25Å; F199-A201 PolarHBondContact O-N 2.99Å; F199-V202 PolarHBondContact O-N 3.06Å; F199-V203 HydrophobicContact CD1-CG2 3.91Å; F199-V203 HydrophobicContact CD2-CG1 4.2Å; F199-V203 HydrophobicContact CD2-CG2 4.23Å; F199-V203 HydrophobicContact CE1-CG2 3.53Å; F199-V203 HydrophobicContact CE2-CB 4.46Å; F199-V203 HydrophobicContact CE2-CG1 3.74Å; F199-V203 HydrophobicContact CE2-CG2 3.87Å; F199-V203 HydrophobicContact CG-CG2 4.26Å; F199-V203 HydrophobicContact CZ-CB 4.42Å; F199-V203 HydrophobicContact CZ-CG1 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.52Å; F199-V203 WeakPolarHBondContact O-CG2 3.18Å; F199-V203 PolarHBondContact O-N 3.08Å; F199-I212 HydrophobicContact CE1-CG2 4.09Å; F199-R215 HydrophobicContact CZ-CB 4.25Å; F199-L219 HydrophobicContact CD2-CD1 4.19Å; F199-L219 HydrophobicContact CE2-CD1 4.1Å; F199-L228 HydrophobicContact CD2-CD2 4.04Å; F199-L228 HydrophobicContact CE2-CD2 3.7Å; F199-V230 HydrophobicContact CB-CG1 4.16Å; F199-V230 HydrophobicContact CD1-CG1 4.3Å; F199-V230 HydrophobicContact CD1-CG2 4.38Å; F199-V230 HydrophobicContact CD2-CG2 4.12Å; F199-V230 HydrophobicContact CE2-CG2 4.41Å; F199-V230 HydrophobicContact CG-CG1 4.28Å; F199-V230 HydrophobicContact CG-CG2 4.09Å
200	E	97.5	Very high	96.4	Very high	22 Å²	22	50.1 Å²	50.1	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-25.9	179.3	-73.2	-175.4	131.8	0	0	113.5	L196 V202 G204 K205 C206	L196-E200 HydrophobicContact CD1-CG 4.07Å; L196-E200 HydrophobicContact CG-CG 4.31Å; L196-E200 VanDerWaalsContact O-CB 3.32Å; L196-E200 WeakPolarHBondContact O-CB 3.41Å; L196-E200 WeakPolarHBondContact O-CG 3.12Å; L196-E200 PolarHBondContact O-N 3.44Å; E200-V202 PolarHBondContact O-N 2.9Å; E200-G204 CarbonylContact O-C 3.58Å; E200-G204 WeakPolarHBondContact O-CA 3.49Å; E200-G204 PolarHBondContact O-N 2.95Å; E200-K205 HydrophobicContact CB-CD 4.21Å; E200-K205 VanDerWaalsContact CD-CD 3.43Å; E200-K205 HydrophobicContact CG-CD 4.32Å; E200-K205 WeakPolarHBondContact OE1-CA 3.2Å; E200-K205 WeakPolarHBondContact OE1-CD 3.03Å; E200-K205 WeakPolarHBondContact OE2-CD 3.25Å; E200-K205 IonicContact OE2-NZ 2.76Å; E200-K205 PolarHBondContact OE2-NZ 2.9Å; E200-C206 PolarHBondContact OE1-N 2.73Å
201	A	97.2	Very high	96.4	Very high	61 Å²	61	51 Å²	51	50%	0.504	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-24.7	173.7	0	0	0	0	0	112.3	T181 S197 E198 F199	T181-A201 HydrophobicContact CG2-CB 4.06Å; S197-A201 WeakPolarHBondContact O-CB 3.37Å; S197-A201 PolarHBondContact O-N 3.24Å; E198-A201 PolarHBondContact O-N 3.05Å; F199-A201 VanDerWaalsContact C-N 3.25Å; F199-A201 PolarHBondContact O-N 2.99Å
202	V	96.9	Very high	96.3	Very high	38 Å²	38	51.3 Å²	51.3	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-95.5	-45.9	178.8	-179.3	0	0	0	0	111.6	F183 F199 E200 L219	F183-V202 HydrophobicContact CD1-CG2 3.85Å; F183-V202 HydrophobicContact CD2-CB 4.43Å; F183-V202 HydrophobicContact CD2-CG1 4.33Å; F183-V202 HydrophobicContact CD2-CG2 3.9Å; F183-V202 HydrophobicContact CE1-CG2 3.83Å; F183-V202 HydrophobicContact CE2-CG2 3.88Å; F183-V202 HydrophobicContact CG-CG1 4.42Å; F183-V202 HydrophobicContact CG-CG2 3.88Å; F183-V202 HydrophobicContact CZ-CG2 3.85Å; F199-V202 PolarHBondContact O-N 3.06Å; E200-V202 PolarHBondContact O-N 2.9Å; V202-L219 HydrophobicContact CG1-CD1 4.15Å
203	V	96.6	Very high	96.3	Very high	36 Å²	36	52.9 Å²	52.9	22%	0.218	29%	0.287	C	S	.	.	H	α-helix	trans	-99.2	-4.3	-173	-50.6	0	0	0	0	114.7	F199 R215 L219	F199-V203 HydrophobicContact CD1-CG2 3.91Å; F199-V203 HydrophobicContact CD2-CG1 4.2Å; F199-V203 HydrophobicContact CD2-CG2 4.23Å; F199-V203 HydrophobicContact CE1-CG2 3.53Å; F199-V203 HydrophobicContact CE2-CB 4.46Å; F199-V203 HydrophobicContact CE2-CG1 3.74Å; F199-V203 HydrophobicContact CE2-CG2 3.87Å; F199-V203 HydrophobicContact CG-CG2 4.26Å; F199-V203 HydrophobicContact CZ-CB 4.42Å; F199-V203 HydrophobicContact CZ-CG1 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.52Å; F199-V203 WeakPolarHBondContact O-CG2 3.18Å; F199-V203 PolarHBondContact O-N 3.08Å; V203-R215 HydrophobicContact CB-CB 3.98Å; V203-R215 HydrophobicContact CG1-CB 4.4Å; V203-R215 HydrophobicContact CG2-CB 3.94Å; V203-R215 WeakPolarHBondContact O-CD 3.29Å; V203-R215 PolarHBondContact O-NH1 3.41Å; V203-L219 HydrophobicContact CG1-CB 4.37Å; V203-L219 HydrophobicContact CG1-CD1 3.6Å
204	G	96.3	Very high	96.3	Very high	32 Å²	32	59.2 Å²	59.2	33%	0.33	32%	0.316	S	S	.	.			trans	83.3	163.6	-170.2	0	0	0	0	0	113.2	E200 R215	E200-G204 CarbonylContact O-C 3.58Å; E200-G204 WeakPolarHBondContact O-CA 3.49Å; E200-G204 PolarHBondContact O-N 2.95Å; G204-R215 VanDerWaalsContact C-NH1 3.29Å; G204-R215 PolarHBondContact O-NH1 2.93Å
205	K	96.5	Very high	96.3	Very high	142 Å²	142	62.6 Å²	62.6	62%	0.617	33%	0.328	S	S	*	.			trans	-59.4	133.7	-177.4	-69.2	-64.5	-179.1	-178.1	0	113.1	E200 R215	E200-K205 HydrophobicContact CB-CD 4.21Å; E200-K205 VanDerWaalsContact CD-CD 3.43Å; E200-K205 HydrophobicContact CG-CD 4.32Å; E200-K205 WeakPolarHBondContact OE1-CA 3.2Å; E200-K205 WeakPolarHBondContact OE1-CD 3.03Å; E200-K205 WeakPolarHBondContact OE2-CD 3.25Å; E200-K205 IonicContact OE2-NZ 2.76Å; E200-K205 PolarHBondContact OE2-NZ 2.9Å; K205-R215 PolarHBondContact O-NH1 2.75Å; K205-R215 PolarHBondContact O-NH2 3.29Å
206	C	95.2	Very high	96.3	Very high	20 Å²	20	60 Å²	60	14%	0.135	31%	0.314	C	S	.	.			trans	-107.7	130.6	178.2	-64.9	0	0	0	0	110.3	E200 E211 I212	E200-C206 PolarHBondContact OE1-N 2.73Å; C206-E211 VanDerWaalsContact CA-OE2 3.3Å; C206-E211 WeakPolarHBondContact CA-OE2 3.47Å; C206-E211 HydrophobicContact CB-CB 4.09Å; C206-I212 HydrophobicContact CB-CG1 3.66Å
207	K	92.4	Very high	96.4	Very high	185 Å²	185	61 Å²	61	80%	0.804	32%	0.319	S	S	*	.			trans	-101.8	-20.7	-178.5	-62.4	-177.2	-175.5	176.4	0	113.6	E211	K207-E211 PolarHBondContact N-OE2 2.91Å
208	T	94	Very high	96.5	Very high	60 Å²	60	63 Å²	63	37%	0.368	32%	0.317	S	S	.	.	S	Bend	trans	-133.7	164.9	-179.2	81.9	0	0	0	0	110.9	E210 E211 I212	T208-E210 VanDerWaalsContact C-N 3.27Å; T208-E210 WeakPolarHBondContact CB-OE2 3.45Å; T208-E210 PolarHBondContact O-N 3.39Å; T208-E210 PolarHBondContact OG1-N 2.95Å; T208-E210 PolarHBondContact OG1-OE2 3.41Å; T208-E211 PolarHBondContact O-N 3.23Å; T208-E211 PolarHBondContact OG1-N 3.32Å; T208-I212 PolarHBondContact O-N 2.77Å
209	E	92.6	Very high	96.6	Very high	83 Å²	83	62 Å²	62	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-66.5	-34	176.9	-56	-153.7	128.1	0	0	111.5	E211 I212 V213 R232	E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.43Å; E209-I212 WeakPolarHBondContact O-CB 3.32Å; E209-I212 PolarHBondContact O-N 3.37Å; E209-I212 VanDerWaalsContact O-N 3.16Å; E209-V213 WeakPolarHBondContact O-CG2 3.5Å; E209-V213 PolarHBondContact O-N 3.48Å; E209-R232 IonicContact OE1-CZ 3.56Å; E209-R232 IonicContact OE1-NH1 2.95Å; E209-R232 PolarHBondContact OE1-NH1 3.09Å; E209-R232 IonicContact OE1-NH2 2.87Å; E209-R232 PolarHBondContact OE1-NH2 3.31Å
210	E	95.3	Very high	96.6	Very high	131 Å²	131	62.2 Å²	62.2	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-61.7	-40.1	175.5	-59.2	74.5	-162.3	0	0	111.5	T208 I212 V213 E214	T208-E210 VanDerWaalsContact C-N 3.27Å; T208-E210 WeakPolarHBondContact CB-OE2 3.45Å; T208-E210 PolarHBondContact O-N 3.39Å; T208-E210 PolarHBondContact OG1-N 2.95Å; T208-E210 PolarHBondContact OG1-OE2 3.41Å; E210-I212 VanDerWaalsContact C-N 3.34Å; E210-I212 PolarHBondContact O-N 3.27Å; E210-V213 PolarHBondContact O-N 3.23Å; E210-E214 WeakPolarHBondContact O-CB 3.24Å; E210-E214 PolarHBondContact O-N 3.23Å
211	E	97.2	Very high	96.6	Very high	52 Å²	52	64.6 Å²	64.6	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-37.2	175.3	-70.5	-175.2	-179.1	0	0	111.9	C206 K207 T208 E209 R215	C206-E211 VanDerWaalsContact CA-OE2 3.3Å; C206-E211 WeakPolarHBondContact CA-OE2 3.47Å; C206-E211 HydrophobicContact CB-CB 4.09Å; K207-E211 PolarHBondContact N-OE2 2.91Å; T208-E211 PolarHBondContact O-N 3.23Å; T208-E211 PolarHBondContact OG1-N 3.32Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.43Å; E211-R215 WeakPolarHBondContact O-CB 3.16Å; E211-R215 WeakPolarHBondContact O-CG 3.38Å; E211-R215 PolarHBondContact O-N 3.25Å; E211-R215 VanDerWaalsContact O-N 3.09Å; E211-R215 IonicContact OE2-NH2 2.62Å; E211-R215 PolarHBondContact OE2-NH2 2.93Å
212	I	96.9	Very high	96.7	Very high	6 Å²	6	65.1 Å²	65.1	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-46.3	174	-63.7	173	0	0	0	110	L196 F199 C206 T208 E209 E210 G216	L196-I212 HydrophobicContact CD1-CD1 4.17Å; F199-I212 HydrophobicContact CE1-CG2 4.09Å; C206-I212 HydrophobicContact CB-CG1 3.66Å; T208-I212 PolarHBondContact O-N 2.77Å; E209-I212 WeakPolarHBondContact O-CB 3.32Å; E209-I212 PolarHBondContact O-N 3.37Å; E209-I212 VanDerWaalsContact O-N 3.16Å; E210-I212 VanDerWaalsContact C-N 3.34Å; E210-I212 PolarHBondContact O-N 3.27Å; I212-G216 WeakPolarHBondContact O-CA 3.47Å; I212-G216 PolarHBondContact O-N 3.15Å
213	V	97.9	Very high	96.7	Very high	32 Å²	32	65.3 Å²	65.3	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-64.4	-51.6	180	174.8	0	0	0	0	110.9	E209 E210 R215 G216 M217 L240 P246	E209-V213 WeakPolarHBondContact O-CG2 3.5Å; E209-V213 PolarHBondContact O-N 3.48Å; E210-V213 PolarHBondContact O-N 3.23Å; V213-R215 PolarHBondContact O-N 3.48Å; V213-G216 PolarHBondContact O-N 3.1Å; V213-M217 HydrophobicContact CG1-CG 4.37Å; V213-M217 WeakPolarHBondContact O-CB 3.27Å; V213-M217 WeakPolarHBondContact O-CG 3.5Å; V213-M217 PolarHBondContact O-N 3.38Å; V213-L240 HydrophobicContact CB-CD2 4.37Å; V213-L240 HydrophobicContact CG1-CD2 4.36Å; V213-L240 HydrophobicContact CG2-CD2 3.89Å; V213-P246 HydrophobicContact CG1-CB 4.41Å; V213-P246 HydrophobicContact CG1-CG 4.33Å; V213-P246 HydrophobicContact CG2-CB 3.83Å; V213-P246 HydrophobicContact CG2-CG 3.99Å
214	E	97.8	Very high	96.7	Very high	142 Å²	142	68.4 Å²	68.4	66%	0.664	34%	0.341	S	S	*	.	H	α-helix	trans	-58.9	-52.2	-177.7	-176.6	-174.6	174.3	0	0	111.4	E210 M217 K218	E210-E214 WeakPolarHBondContact O-CB 3.24Å; E210-E214 PolarHBondContact O-N 3.23Å; E214-M217 PolarHBondContact O-N 3.41Å; E214-K218 PolarHBondContact O-N 2.86Å
215	R	98	Very high	96.8	Very high	70 Å²	70	67.3 Å²	67.3	26%	0.264	33%	0.327	S	S	.	.	H	α-helix	trans	-71.5	-32.7	-178.4	-63.4	-175.7	-168.2	166.4	14.7	112.3	F199 V203 G204 K205 E211 V213 K218 L219	F199-R215 HydrophobicContact CZ-CB 4.25Å; V203-R215 HydrophobicContact CB-CB 3.98Å; V203-R215 HydrophobicContact CG1-CB 4.4Å; V203-R215 HydrophobicContact CG2-CB 3.94Å; V203-R215 WeakPolarHBondContact O-CD 3.29Å; V203-R215 PolarHBondContact O-NH1 3.41Å; G204-R215 VanDerWaalsContact C-NH1 3.29Å; G204-R215 PolarHBondContact O-NH1 2.93Å; K205-R215 PolarHBondContact O-NH1 2.75Å; K205-R215 PolarHBondContact O-NH2 3.29Å; E211-R215 WeakPolarHBondContact O-CB 3.16Å; E211-R215 WeakPolarHBondContact O-CG 3.38Å; E211-R215 PolarHBondContact O-N 3.25Å; E211-R215 VanDerWaalsContact O-N 3.09Å; E211-R215 IonicContact OE2-NH2 2.62Å; E211-R215 PolarHBondContact OE2-NH2 2.93Å; V213-R215 PolarHBondContact O-N 3.48Å; R215-K218 PolarHBondContact O-N 3.25Å; R215-L219 WeakPolarHBondContact O-CB 3.09Å; R215-L219 PolarHBondContact O-N 2.87Å
216	G	98.2	Very high	96.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.9	-42.6	174.5	0	0	0	0	0	112.2	I212 V213 K218 L219 I220	I212-G216 WeakPolarHBondContact O-CA 3.47Å; I212-G216 PolarHBondContact O-N 3.15Å; V213-G216 PolarHBondContact O-N 3.1Å; G216-K218 VanDerWaalsContact C-N 3.34Å; G216-K218 PolarHBondContact O-N 3.13Å; G216-L219 WeakPolarHBondContact O-CB 3.18Å; G216-L219 PolarHBondContact O-N 2.79Å; G216-I220 VanDerWaalsContact O-CG1 3.29Å; G216-I220 WeakPolarHBondContact O-CG1 3.41Å; G216-I220 PolarHBondContact O-N 3.11Å
217	M	98.1	Very high	97.1	Very high	63 Å²	63	62.8 Å²	62.8	31%	0.31	31%	0.313	S	S	.	.	H	α-helix	trans	-66.1	-36.4	174.6	-68	-66.7	-76.7	0	0	112	V213 E214 I220 A221 L240	V213-M217 HydrophobicContact CG1-CG 4.37Å; V213-M217 WeakPolarHBondContact O-CB 3.27Å; V213-M217 WeakPolarHBondContact O-CG 3.5Å; V213-M217 PolarHBondContact O-N 3.38Å; E214-M217 PolarHBondContact O-N 3.41Å; M217-I220 PolarHBondContact O-N 3.47Å; M217-I220 HydrophobicContact SD-CD1 4.05Å; M217-A221 PolarHBondContact O-N 3.33Å; M217-A221 VanDerWaalsContact O-N 3.08Å; M217-L240 HydrophobicContact SD-CB 4.28Å
218	K	97.9	Very high	97.4	Very high	124 Å²	124	54 Å²	54	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-47.4	170.6	-179.6	175.1	169.2	44.3	0	111.6	E214 R215 G216 I220 A221 D222	E214-K218 PolarHBondContact O-N 2.86Å; R215-K218 PolarHBondContact O-N 3.25Å; G216-K218 VanDerWaalsContact C-N 3.34Å; G216-K218 PolarHBondContact O-N 3.13Å; K218-I220 VanDerWaalsContact C-N 3.35Å; K218-I220 PolarHBondContact O-N 3.47Å; K218-A221 PolarHBondContact O-N 3.49Å; K218-A221 VanDerWaalsContact O-N 3.17Å; K218-D222 VanDerWaalsContact CE-OD2 3.31Å; K218-D222 WeakPolarHBondContact CE-OD2 3.4Å; K218-D222 WeakPolarHBondContact CG-OD2 3.4Å; K218-D222 IonicContact NZ-OD1 3.77Å; K218-D222 PolarHBondContact NZ-OD1 3.08Å; K218-D222 IonicContact NZ-OD2 3.29Å; K218-D222 PolarHBondContact NZ-OD2 2.87Å; K218-D222 WeakPolarHBondContact O-CB 3.45Å; K218-D222 VanDerWaalsContact O-CG 3.28Å; K218-D222 PolarHBondContact O-N 2.88Å
219	L	97.9	Very high	97.6	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-43.8	178.2	-173.6	154	0	0	0	111.7	F183 L192 F199 V202 V203 R215 G216 A221 D222 Y223 L225 L228	F183-L219 HydrophobicContact CD2-CD1 4.04Å; L192-L219 HydrophobicContact CD2-CD2 4.49Å; F199-L219 HydrophobicContact CD2-CD1 4.19Å; F199-L219 HydrophobicContact CE2-CD1 4.1Å; V202-L219 HydrophobicContact CG1-CD1 4.15Å; V203-L219 HydrophobicContact CG1-CB 4.37Å; V203-L219 HydrophobicContact CG1-CD1 3.6Å; R215-L219 WeakPolarHBondContact O-CB 3.09Å; R215-L219 PolarHBondContact O-N 2.87Å; G216-L219 WeakPolarHBondContact O-CB 3.18Å; G216-L219 PolarHBondContact O-N 2.79Å; L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 3.32Å; L219-D222 PolarHBondContact O-N 3.17Å; L219-Y223 HydrophobicContact CD1-CE2 4.29Å; L219-Y223 HydrophobicContact CD2-CD2 3.74Å; L219-Y223 HydrophobicContact CD2-CE2 4.27Å; L219-Y223 HydrophobicContact CG-CD2 3.66Å; L219-Y223 HydrophobicContact CG-CE2 3.75Å; L219-Y223 PolarHBondContact O-N 3.34Å; L219-L225 HydrophobicContact CD2-CD1 3.51Å; L219-L228 HydrophobicContact CD2-CD1 4.22Å; L219-L228 HydrophobicContact CD2-CD2 4.32Å
220	I	98.4	Very high	97.8	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-56.3	-45.8	174.6	-71.9	168	0	0	0	110.8	G216 M217 K218 E224 L225 L228 L240 P242	G216-I220 VanDerWaalsContact O-CG1 3.29Å; G216-I220 WeakPolarHBondContact O-CG1 3.41Å; G216-I220 PolarHBondContact O-N 3.11Å; M217-I220 PolarHBondContact O-N 3.47Å; M217-I220 HydrophobicContact SD-CD1 4.05Å; K218-I220 VanDerWaalsContact C-N 3.35Å; K218-I220 PolarHBondContact O-N 3.47Å; I220-E224 WeakPolarHBondContact O-CA 3.3Å; I220-E224 PolarHBondContact O-N 2.78Å; I220-L225 HydrophobicContact CB-CB 4.49Å; I220-L225 HydrophobicContact CG1-CB 4.38Å; I220-L225 HydrophobicContact CG2-CB 4.27Å; I220-L225 VanDerWaalsContact CG2-O 3.25Å; I220-L225 WeakPolarHBondContact CG2-O 3.49Å; I220-L225 PolarHBondContact O-N 3.1Å; I220-L228 HydrophobicContact CD1-CB 3.74Å; I220-L228 HydrophobicContact CG1-CB 3.73Å; I220-L240 HydrophobicContact CD1-CB 3.81Å; I220-L240 WeakPolarHBondContact CD1-O 3.4Å; I220-P242 HydrophobicContact CG2-CG 3.57Å
221	A	98	Very high	97.9	Very high	71 Å²	71	42.2 Å²	42.2	59%	0.587	22%	0.218	S	C	*	.	H	α-helix	trans	-68.4	-46.9	179.3	0	0	0	0	0	112.2	M217 K218 L219 Y223 E224	M217-A221 PolarHBondContact O-N 3.33Å; M217-A221 VanDerWaalsContact O-N 3.08Å; K218-A221 PolarHBondContact O-N 3.49Å; K218-A221 VanDerWaalsContact O-N 3.17Å; L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 3.32Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 3.03Å; A221-E224 PolarHBondContact O-N 2.85Å
222	D	97.6	Very high	97.8	Very high	72 Å²	72	40.4 Å²	40.4	39%	0.385	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-36.3	-176.7	-71.4	-12.9	0	0	0	111.3	R187 K218 L219	R187-D222 VanDerWaalsContact CZ-O 3.24Å; R187-D222 PolarHBondContact NH1-O 3.29Å; R187-D222 PolarHBondContact NH2-O 3.4Å; K218-D222 VanDerWaalsContact CE-OD2 3.31Å; K218-D222 WeakPolarHBondContact CE-OD2 3.4Å; K218-D222 WeakPolarHBondContact CG-OD2 3.4Å; K218-D222 IonicContact NZ-OD1 3.77Å; K218-D222 PolarHBondContact NZ-OD1 3.08Å; K218-D222 IonicContact NZ-OD2 3.29Å; K218-D222 PolarHBondContact NZ-OD2 2.87Å; K218-D222 WeakPolarHBondContact O-CB 3.45Å; K218-D222 VanDerWaalsContact O-CG 3.28Å; K218-D222 PolarHBondContact O-N 2.88Å; L219-D222 PolarHBondContact O-N 3.17Å
223	Y	97.6	Very high	97.4	Very high	42 Å²	42	44.5 Å²	44.5	17%	0.165	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	12.4	-178.8	-54.4	-46.4	0	0	0	114.8	F183 E184 R187 G188 L219 A221 L225	F183-Y223 HydrophobicContact CB-CD2 3.97Å; F183-Y223 HydrophobicContact CB-CE2 3.56Å; E184-Y223 HydrophobicContact CB-CD1 4.34Å; E184-Y223 HydrophobicContact CB-CE1 3.93Å; E184-Y223 WeakPolarHBondContact OE2-CD1 3.46Å; E184-Y223 WeakPolarHBondContact OE2-CE1 3.47Å; R187-Y223 CarbonylContact C-O 3.36Å; R187-Y223 WeakPolarHBondContact CA-O 3.48Å; G188-Y223 PolarHBondContact N-O 2.98Å; L219-Y223 HydrophobicContact CD1-CE2 4.29Å; L219-Y223 HydrophobicContact CD2-CD2 3.74Å; L219-Y223 HydrophobicContact CD2-CE2 4.27Å; L219-Y223 HydrophobicContact CG-CD2 3.66Å; L219-Y223 HydrophobicContact CG-CE2 3.75Å; L219-Y223 PolarHBondContact O-N 3.34Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 3.03Å; Y223-L225 PolarHBondContact O-N 2.72Å
224	E	97.8	Very high	97	Very high	102 Å²	102	49.9 Å²	49.9	48%	0.477	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	38.5	177.7	-61.9	167.3	-138.2	0	0	114.3	R187 G188 I220 A221	R187-E224 HydrophobicContact CG-CB 4.38Å; R187-E224 IonicContact CZ-OE1 2.66Å; R187-E224 IonicContact NH1-OE1 2.74Å; R187-E224 PolarHBondContact NH1-OE1 3.48Å; G188-E224 WeakPolarHBondContact CA-O 3.32Å; I220-E224 WeakPolarHBondContact O-CA 3.3Å; I220-E224 PolarHBondContact O-N 2.78Å; A221-E224 PolarHBondContact O-N 2.85Å
225	L	98.2	Very high	96.5	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	25%	0.251	C	S	.	.			trans	-76.3	152.9	176.5	-51.8	178.1	0	0	0	110.1	A189 L192 L219 I220 Y223	A189-L225 HydrophobicContact CB-CD2 3.99Å; A189-L225 WeakPolarHBondContact O-CA 3.39Å; L192-L225 HydrophobicContact CB-CD1 3.9Å; L192-L225 HydrophobicContact CD2-CD1 4.11Å; L219-L225 HydrophobicContact CD2-CD1 3.51Å; I220-L225 HydrophobicContact CB-CB 4.49Å; I220-L225 HydrophobicContact CG1-CB 4.38Å; I220-L225 HydrophobicContact CG2-CB 4.27Å; I220-L225 VanDerWaalsContact CG2-O 3.25Å; I220-L225 WeakPolarHBondContact CG2-O 3.49Å; I220-L225 PolarHBondContact O-N 3.1Å; Y223-L225 PolarHBondContact O-N 2.72Å
226	S	97.9	Very high	96.2	Very high	65 Å²	65	44.7 Å²	44.7	46%	0.455	24%	0.241	S	C	.	.	S	Bend	trans	-82.5	-28.8	169.3	-51.9	0	0	0	0	112.3	A189 T190 P242	A189-S226 PolarHBondContact O-N 3.19Å; T190-S226 CarbonylContact O-C 3.59Å; T190-S226 WeakPolarHBondContact O-CA 3.38Å; T190-S226 VanDerWaalsContact O-CB 3.27Å; T190-S226 WeakPolarHBondContact O-CB 3.24Å; T190-S226 PolarHBondContact O-N 2.96Å; S226-P242 VanDerWaalsContact O-CD 3.22Å; S226-P242 WeakPolarHBondContact O-CD 3.29Å
227	A	98.4	Very high	96.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160.6	179.1	0	0	0	0	0	111.6	T190 L191 L192 L239 L240 Q241 L280	T190-A227 PolarHBondContact O-N 3.38Å; L191-A227 WeakPolarHBondContact CA-O 3.45Å; L191-A227 HydrophobicContact CD1-CB 3.62Å; L192-A227 PolarHBondContact N-O 3.34Å; A227-L239 HydrophobicContact CB-CD1 4.23Å; A227-L240 VanDerWaalsContact CA-O 3.31Å; A227-L240 WeakPolarHBondContact CA-O 3.44Å; A227-Q241 HydrophobicContact CB-CG 3.84Å; A227-L280 HydrophobicContact CB-CD2 3.35Å
228	L	98.6	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.8	171.4	-178.7	69.6	0	0	0	108.7	L192 P194 F199 L219 I220 V230 L240	L192-L228 HydrophobicContact CB-CD1 3.87Å; L192-L228 HydrophobicContact CD2-CD1 4.32Å; L192-L228 HydrophobicContact CG-CD1 4.42Å; P194-L228 HydrophobicContact CG-CD1 3.81Å; F199-L228 HydrophobicContact CD2-CD2 4.04Å; F199-L228 HydrophobicContact CE2-CD2 3.7Å; L219-L228 HydrophobicContact CD2-CD1 4.22Å; L219-L228 HydrophobicContact CD2-CD2 4.32Å; I220-L228 HydrophobicContact CD1-CB 3.74Å; I220-L228 HydrophobicContact CG1-CB 3.73Å; L228-V230 HydrophobicContact CD2-CG2 3.89Å; L228-V230 HydrophobicContact CG-CG2 3.99Å; L228-L240 HydrophobicContact CB-CB 4.43Å; L228-L240 HydrophobicContact CD2-CD1 4.33Å; L228-L240 PolarHBondContact N-O 3.45Å; L228-L240 PolarHBondContact O-N 3.19Å
229	L	98.5	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110	170.8	179	72.4	0	0	0	108.9	L191 L192 T193 P194 M237 S238 L239 M249 V266 L270	L191-L229 HydrophobicContact CD1-CB 3.96Å; L192-L229 PolarHBondContact O-N 2.78Å; T193-L229 CarbonylContact C-O 3.36Å; T193-L229 VanDerWaalsContact CA-O 3.3Å; T193-L229 WeakPolarHBondContact CA-O 3.34Å; T193-L229 HydrophobicContact CG2-CB 4.28Å; T193-L229 HydrophobicContact CG2-CD2 4.35Å; P194-L229 WeakPolarHBondContact CD-O 3.49Å; L229-M237 HydrophobicContact CD1-CB 4Å; L229-M237 HydrophobicContact CD1-CG 4.09Å; L229-M237 HydrophobicContact CD1-SD 4Å; L229-M237 HydrophobicContact CD2-SD 4.13Å; L229-S238 WeakPolarHBondContact CA-O 3.44Å; L229-L239 HydrophobicContact CD1-CB 3.95Å; L229-M249 HydrophobicContact CD1-CE 4.46Å; L229-V266 HydrophobicContact CD2-CG1 4.03Å; L229-L270 HydrophobicContact CD2-CD1 3.5Å; L229-L270 HydrophobicContact CD2-CD2 4.4Å
230	V	98	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.3	175.9	-174.3	0	0	0	0	108.8	P194 L196 F199 L228 R232 M237 S238	P194-V230 WeakPolarHBondContact O-CA 3.37Å; L196-V230 HydrophobicContact CB-CG1 4.46Å; L196-V230 HydrophobicContact CD1-CG1 4.25Å; F199-V230 HydrophobicContact CB-CG1 4.16Å; F199-V230 HydrophobicContact CD1-CG1 4.3Å; F199-V230 HydrophobicContact CD1-CG2 4.38Å; F199-V230 HydrophobicContact CD2-CG2 4.12Å; F199-V230 HydrophobicContact CE2-CG2 4.41Å; F199-V230 HydrophobicContact CG-CG1 4.28Å; F199-V230 HydrophobicContact CG-CG2 4.09Å; L228-V230 HydrophobicContact CD2-CG2 3.89Å; L228-V230 HydrophobicContact CG-CG2 3.99Å; V230-R232 HydrophobicContact CG1-CG 4.12Å; V230-M237 CarbonylContact O-C 3.59Å; V230-M237 WeakPolarHBondContact O-CA 3.46Å; V230-S238 PolarHBondContact N-O 3.33Å; V230-S238 PolarHBondContact O-N 2.94Å
231	T	96.7	Very high	96	Very high	27 Å²	27	37.1 Å²	37.1	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129	173.3	65.5	0	0	0	0	110.2	P194 N195 L196 V266	P194-T231 PolarHBondContact O-N 3.15Å; N195-T231 CarbonylContact C-O 3.51Å; N195-T231 WeakPolarHBondContact CA-O 3.46Å; N195-T231 VanDerWaalsContact CA-OG1 3.31Å; N195-T231 WeakPolarHBondContact CA-OG1 3.45Å; L196-T231 PolarHBondContact N-O 3.26Å; T231-V266 HydrophobicContact CG2-CG1 4.21Å
232	R	94.5	Very high	95.9	Very high	14 Å²	14	37.2 Å²	37.2	5%	0.053	20%	0.201	C	C	.	.			trans	-122.8	33.5	-167.7	-58.5	168	61.8	-173.1	2.7	112.4	E209 V230 E234 Q235 G236 S238	E209-R232 IonicContact OE1-CZ 3.56Å; E209-R232 IonicContact OE1-NH1 2.95Å; E209-R232 PolarHBondContact OE1-NH1 3.09Å; E209-R232 IonicContact OE1-NH2 2.87Å; E209-R232 PolarHBondContact OE1-NH2 3.31Å; V230-R232 HydrophobicContact CG1-CG 4.12Å; R232-E234 PolarHBondContact O-N 3.07Å; R232-Q235 HydrophobicContact CB-CB 3.81Å; R232-Q235 VanDerWaalsContact CZ-OE1 3.29Å; R232-Q235 WeakPolarHBondContact O-CB 3.48Å; R232-Q235 PolarHBondContact O-N 3.15Å; R232-G236 CarbonylContact C-O 3.53Å; R232-G236 WeakPolarHBondContact CA-O 3.44Å; R232-G236 PolarHBondContact N-O 3.44Å; R232-S238 VanDerWaalsContact CD-OG 3.27Å; R232-S238 WeakPolarHBondContact CD-OG 3.16Å; R232-S238 PolarHBondContact NH1-OG 2.95Å; R232-S238 VanDerWaalsContact NH1-OG 3.12Å
233	S	90.2	Very high	95.8	Very high	92 Å²	92	37.8 Å²	37.8	64%	0.643	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	50.8	-121.1	176.9	-58.2	0	0	0	0	112.4	Q235 G236	S233-Q235 PolarHBondContact O-N 3.09Å; S233-G236 PolarHBondContact O-N 3.27Å
234	E	87.6	Confident	95.7	Very high	146 Å²	146	40.9 Å²	40.9	68%	0.682	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61.8	-20.4	178.7	69	-78.1	-179.1	0	0	114.1	R232 G236 T251	R232-E234 PolarHBondContact O-N 3.07Å; E234-G236 PolarHBondContact O-N 3.42Å; E234-T251 WeakPolarHBondContact O-CG2 3.3Å
235	Q	88.3	Confident	95.5	Very high	97 Å²	97	40.1 Å²	40.1	45%	0.453	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-82.4	-0.6	174.2	-53.7	-177.7	-25	0	0	112.4	R232 S233	R232-Q235 HydrophobicContact CB-CB 3.81Å; R232-Q235 VanDerWaalsContact CZ-OE1 3.29Å; R232-Q235 WeakPolarHBondContact O-CB 3.48Å; R232-Q235 PolarHBondContact O-N 3.15Å; S233-Q235 PolarHBondContact O-N 3.09Å
236	G	91.6	Very high	95.4	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	27%	0.266	C	S	.	.			trans	80.9	-123.2	-179	0	0	0	0	0	112.4	R232 S233 E234 M249	R232-G236 CarbonylContact C-O 3.53Å; R232-G236 WeakPolarHBondContact CA-O 3.44Å; R232-G236 PolarHBondContact N-O 3.44Å; S233-G236 PolarHBondContact O-N 3.27Å; E234-G236 PolarHBondContact O-N 3.42Å; G236-M249 CarbonylContact C-O 3.5Å; G236-M249 VanDerWaalsContact CA-O 3.27Å; G236-M249 WeakPolarHBondContact CA-O 3.49Å
237	M	95.3	Very high	95.2	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	152.6	-177.4	59.5	-176.8	67.7	0	0	113.2	L229 V230 M249 V266 N288	L229-M237 HydrophobicContact CD1-CB 4Å; L229-M237 HydrophobicContact CD1-CG 4.09Å; L229-M237 HydrophobicContact CD1-SD 4Å; L229-M237 HydrophobicContact CD2-SD 4.13Å; V230-M237 CarbonylContact O-C 3.59Å; V230-M237 WeakPolarHBondContact O-CA 3.46Å; M237-M249 HydrophobicContact CG-CB 4.1Å; M237-M249 HydrophobicContact CG-CE 3.69Å; M237-M249 PolarHBondContact N-O 3.2Å; M237-M249 PolarHBondContact O-N 3.04Å; M237-M249 HydrophobicContact SD-CE 4Å; M237-V266 HydrophobicContact CE-CG1 4.36Å; M237-V266 HydrophobicContact CE-CG2 3.98Å; M237-N288 VanDerWaalsContact CE-CA 3.46Å; M237-N288 HydrophobicContact CE-CB 3.65Å; M237-N288 HydrophobicContact CG-CB 4.27Å; M237-N288 HydrophobicContact SD-CB 3.71Å
238	S	96.6	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.9	-179.4	-61.6	0	0	0	0	110.7	L229 V230 R232 L247 H248	L229-S238 WeakPolarHBondContact CA-O 3.44Å; V230-S238 PolarHBondContact N-O 3.33Å; V230-S238 PolarHBondContact O-N 2.94Å; R232-S238 VanDerWaalsContact CD-OG 3.27Å; R232-S238 WeakPolarHBondContact CD-OG 3.16Å; R232-S238 PolarHBondContact NH1-OG 2.95Å; R232-S238 VanDerWaalsContact NH1-OG 3.12Å; S238-L247 WeakPolarHBondContact CA-O 3.3Å; S238-H248 WeakPolarHBondContact CB-ND1 3.49Å; S238-H248 PolarHBondContact OG-CE1 3.3Å; S238-H248 PolarHBondContact OG-ND1 3.03Å
239	L	98.2	Very high	94.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.8	173.3	174.2	67.5	0	0	0	110.2	L191 A227 L229 Q241 L247 M249 L280 E281 C284	L191-L239 HydrophobicContact CD1-CD1 4.28Å; A227-L239 HydrophobicContact CB-CD1 4.23Å; L229-L239 HydrophobicContact CD1-CB 3.95Å; L239-Q241 HydrophobicContact CD1-CG 4.27Å; L239-Q241 VanDerWaalsContact CD2-OE1 3.32Å; L239-Q241 HydrophobicContact CG-CG 4.27Å; L239-L247 HydrophobicContact CB-CB 4.21Å; L239-L247 HydrophobicContact CD2-CD2 4.19Å; L239-L247 PolarHBondContact N-O 2.98Å; L239-L247 PolarHBondContact O-N 3.46Å; L239-M249 HydrophobicContact CB-CE 4.43Å; L239-L280 HydrophobicContact CD1-CD2 3.84Å; L239-L280 HydrophobicContact CD1-CG 4.08Å; L239-L280 HydrophobicContact CD2-CG 4.19Å; L239-E281 HydrophobicContact CD2-CG 4.13Å; L239-C284 HydrophobicContact CD2-CB 4.4Å
240	L	98.4	Very high	94	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.2	179	-53.5	-179.2	0	0	0	109.9	V213 M217 I220 A227 L228 P246	V213-L240 HydrophobicContact CB-CD2 4.37Å; V213-L240 HydrophobicContact CG1-CD2 4.36Å; V213-L240 HydrophobicContact CG2-CD2 3.89Å; M217-L240 HydrophobicContact SD-CB 4.28Å; I220-L240 HydrophobicContact CD1-CB 3.81Å; I220-L240 WeakPolarHBondContact CD1-O 3.4Å; A227-L240 VanDerWaalsContact CA-O 3.31Å; A227-L240 WeakPolarHBondContact CA-O 3.44Å; L228-L240 HydrophobicContact CB-CB 4.43Å; L228-L240 HydrophobicContact CD2-CD1 4.33Å; L228-L240 PolarHBondContact N-O 3.45Å; L228-L240 PolarHBondContact O-N 3.19Å; L240-P246 HydrophobicContact CD2-CB 3.67Å
241	Q	97.9	Very high	93.3	Very high	28 Å²	28	53.2 Å²	53.2	13%	0.131	32%	0.323	C	S	.	.			trans	-141.7	136.9	-178.3	-68.3	178.9	-101.2	0	0	110.4	A227 L239 G243 K244 L280 E281	A227-Q241 HydrophobicContact CB-CG 3.84Å; L239-Q241 HydrophobicContact CD1-CG 4.27Å; L239-Q241 VanDerWaalsContact CD2-OE1 3.32Å; L239-Q241 HydrophobicContact CG-CG 4.27Å; Q241-G243 PolarHBondContact O-N 3.06Å; Q241-K244 HydrophobicContact CB-CB 4.13Å; Q241-K244 HydrophobicContact CB-CD 4.17Å; Q241-K244 HydrophobicContact CB-CG 4.34Å; Q241-K244 PolarHBondContact O-N 2.95Å; Q241-L280 HydrophobicContact CG-CD2 4.33Å; Q241-E281 PolarHBondContact OE1-OE1 3.39Å
242	P	96.9	Very high	92.1	Very high	73 Å²	73	54 Å²	54	47%	0.474	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	128.5	172.4	-26.8	36.7	0	0	0	112	I220 S226 K244	I220-P242 HydrophobicContact CG2-CG 3.57Å; S226-P242 VanDerWaalsContact O-CD 3.22Å; S226-P242 WeakPolarHBondContact O-CD 3.29Å; P242-K244 VanDerWaalsContact C-N 3.27Å; P242-K244 PolarHBondContact O-N 2.96Å
243	G	95.1	Very high	91.2	Very high	85 Å²	85	54.4 Å²	54.4	88%	0.876	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	7.3	176	0	0	0	0	0	115.9	Q241	Q241-G243 PolarHBondContact O-N 3.06Å
244	K	95.2	Very high	90.2	Very high	106 Å²	106	59.2 Å²	59.2	46%	0.461	34%	0.343	S	S	.	.	S	Bend	trans	-118.7	154.2	173	-61.7	-172.8	177.2	176.7	0	111	Q241 P242 E281	Q241-K244 HydrophobicContact CB-CB 4.13Å; Q241-K244 HydrophobicContact CB-CD 4.17Å; Q241-K244 HydrophobicContact CB-CG 4.34Å; Q241-K244 PolarHBondContact O-N 2.95Å; P242-K244 VanDerWaalsContact C-N 3.27Å; P242-K244 PolarHBondContact O-N 2.96Å; K244-E281 IonicContact NZ-OE1 2.63Å; K244-E281 PolarHBondContact NZ-OE1 2.92Å
245	A	94.2	Very high	89.4	Confident	87 Å²	87	57.8 Å²	57.8	72%	0.719	34%	0.336	S	S	*	.			trans	-64.3	143.8	169.4	0	0	0	0	0	109.8
246	P	94.9	Very high	88.9	Confident	56 Å²	56	57.8 Å²	57.8	36%	0.364	34%	0.343	S	S	.	.			trans	-61.6	139.1	176.7	27.9	-35.4	0	0	0	110.4	V213 L240	V213-P246 HydrophobicContact CG1-CB 4.41Å; V213-P246 HydrophobicContact CG1-CG 4.33Å; V213-P246 HydrophobicContact CG2-CB 3.83Å; V213-P246 HydrophobicContact CG2-CG 3.99Å; L240-P246 HydrophobicContact CD2-CB 3.67Å
247	L	94	Very high	88.1	Confident	63 Å²	63	65 Å²	65	33%	0.33	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	107.5	177.2	175	65.3	0	0	0	109.3	S238 L239 M249 E281	S238-L247 WeakPolarHBondContact CA-O 3.3Å; L239-L247 HydrophobicContact CB-CB 4.21Å; L239-L247 HydrophobicContact CD2-CD2 4.19Å; L239-L247 PolarHBondContact N-O 2.98Å; L239-L247 PolarHBondContact O-N 3.46Å; L247-M249 HydrophobicContact CD2-CE 4.16Å; L247-M249 HydrophobicContact CD2-SD 4.23Å; L247-M249 HydrophobicContact CG-CE 4.24Å; L247-M249 HydrophobicContact CG-CG 4.24Å; L247-M249 HydrophobicContact CG-SD 4.46Å; L247-E281 HydrophobicContact CD2-CB 4.06Å; L247-E281 HydrophobicContact CD2-CG 4.2Å
248	H	92.6	Very high	87.2	Confident	66 Å²	66	66.5 Å²	66.5	31%	0.306	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.5	174.2	-57.4	-61.4	0	0	0	109.7	S238	S238-H248 WeakPolarHBondContact CB-ND1 3.49Å; S238-H248 PolarHBondContact OG-CE1 3.3Å; S238-H248 PolarHBondContact OG-ND1 3.03Å
249	M	90.3	Very high	86.6	Confident	11 Å²	11	71 Å²	71	5%	0.054	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113.7	178.1	-71	167	-75.2	0	0	108.3	L229 G236 M237 L239 L247 C284 N288	L229-M249 HydrophobicContact CD1-CE 4.46Å; G236-M249 CarbonylContact C-O 3.5Å; G236-M249 VanDerWaalsContact CA-O 3.27Å; G236-M249 WeakPolarHBondContact CA-O 3.49Å; M237-M249 HydrophobicContact CG-CB 4.1Å; M237-M249 HydrophobicContact CG-CE 3.69Å; M237-M249 PolarHBondContact N-O 3.2Å; M237-M249 PolarHBondContact O-N 3.04Å; M237-M249 HydrophobicContact SD-CE 4Å; L239-M249 HydrophobicContact CB-CE 4.43Å; L247-M249 HydrophobicContact CD2-CE 4.16Å; L247-M249 HydrophobicContact CD2-SD 4.23Å; L247-M249 HydrophobicContact CG-CE 4.24Å; L247-M249 HydrophobicContact CG-CG 4.24Å; L247-M249 HydrophobicContact CG-SD 4.46Å; M249-C284 HydrophobicContact CE-CB 3.41Å; M249-C284 VanDerWaalsContact CE-CB 3.41Å; M249-C284 HydrophobicContact SD-CB 4Å; M249-N288 HydrophobicContact CB-CB 4.48Å; M249-N288 HydrophobicContact SD-CB 4.49Å
250	P	88.6	Confident	85.8	Confident	98 Å²	98	74.5 Å²	74.5	64%	0.636	43%	0.427	S	S	*	.			trans	-66.4	156.1	176	28.9	-34.8	0	0	0	110.5	N288	P250-N288 PolarHBondContact O-ND2 2.66Å
251	T	82.2	Confident	85.3	Confident	56 Å²	56	75.1 Å²	75.1	34%	0.344	43%	0.433	S	S	.	.			trans	-58.3	149.4	175.6	-171.7	0	0	0	0	111.3	E234 A253	E234-T251 WeakPolarHBondContact O-CG2 3.3Å; T251-A253 PolarHBondContact OG1-N 3.46Å
252	Q	72.1	Confident	85	Confident	43 Å²	43	74.6 Å²	74.6	20%	0.201	43%	0.434	C	S	.	.			trans	-106.5	2.9	173.5	-80.1	164.2	82.2	0	0	113.1	Q254 N288 R315	Q252-Q254 PolarHBondContact O-N 3.34Å; Q252-N288 PolarHBondContact NE2-ND2 3.33Å; Q252-N288 PolarHBondContact NE2-O 3.4Å; Q252-R315 HydrophobicContact CG-CG 4.18Å; Q252-R315 VanDerWaalsContact NE2-NE 3.16Å; Q252-R315 VanDerWaalsContact NE2-NH1 3.16Å
253	A	75.4	Confident	84.9	Confident	22 Å²	22	73 Å²	73	18%	0.182	43%	0.43	C	S	.	.			trans	-67.1	116.9	179	0	0	0	0	0	109.9	T251 V256 V295	T251-A253 PolarHBondContact OG1-N 3.46Å; A253-V256 HydrophobicContact CB-CG2 3.88Å; A253-V295 HydrophobicContact CB-CG2 3.39Å
254	Q	69.5	Low	84.9	Confident	194 Å²	194	69.4 Å²	69.4	91%	0.907	39%	0.391	S	S	*	.	S	Bend	trans	-80.5	-36	168.1	-66.7	-167.6	-11.6	0	0	111.1	Q252	Q252-Q254 PolarHBondContact O-N 3.34Å
255	E	70.7	Confident	84.9	Confident	115 Å²	115	64.3 Å²	64.3	54%	0.537	37%	0.369	S	S	.	.			trans	-131.4	138.9	177	-63.1	-174.3	175.8	0	0	109	Y257	E255-Y257 HydrophobicContact CB-CD2 4.27Å; E255-Y257 HydrophobicContact CB-CE2 3.79Å; E255-Y257 WeakPolarHBondContact OE2-CE2 3.33Å; E255-Y257 VanDerWaalsContact OE2-CZ 3.3Å; E255-Y257 PolarHBondContact OE2-OH 2.99Å
256	V	77	Confident	85.1	Confident	97 Å²	97	60.5 Å²	60.5	59%	0.588	34%	0.337	S	S	*	.			trans	-118.1	109.3	176.3	179.6	0	0	0	0	107.9	A253 V259 V295	A253-V256 HydrophobicContact CB-CG2 3.88Å; V256-V259 HydrophobicContact CG1-CG1 3.77Å; V256-V295 HydrophobicContact CG1-CB 4.41Å; V256-V295 HydrophobicContact CG2-CG2 4.18Å
257	Y	75	Confident	85.2	Confident	156 Å²	156	57.8 Å²	57.8	61%	0.612	32%	0.319	S	S	*	.	S	Bend	trans	-98.7	-50.4	175.9	-73.8	-86	0	0	0	111.6	E255 V295 G296	E255-Y257 HydrophobicContact CB-CD2 4.27Å; E255-Y257 HydrophobicContact CB-CE2 3.79Å; E255-Y257 WeakPolarHBondContact OE2-CE2 3.33Å; E255-Y257 VanDerWaalsContact OE2-CZ 3.3Å; E255-Y257 PolarHBondContact OE2-OH 2.99Å; Y257-V295 PolarHBondContact N-O 3.43Å; Y257-G296 WeakPolarHBondContact CD2-O 3.49Å
258	D	77.1	Confident	85.4	Confident	37 Å²	37	54.8 Å²	54.8	20%	0.198	30%	0.304	C	S	.	.			trans	-149.1	125.6	-178.1	-170	-7.6	0	0	0	110.2	T260 V295 K297 L298 G299	D258-T260 VanDerWaalsContact C-N 3.33Å; D258-T260 WeakPolarHBondContact OD1-CB 3.45Å; D258-T260 PolarHBondContact OD1-N 3.44Å; D258-T260 PolarHBondContact OD1-OG1 2.85Å; D258-V295 PolarHBondContact N-O 2.87Å; D258-V295 WeakPolarHBondContact O-CA 3.2Å; D258-K297 WeakPolarHBondContact CB-O 3.33Å; D258-L298 HydrophobicContact CB-CD1 4.49Å; D258-G299 VanDerWaalsContact OD2-CA 3.22Å; D258-G299 WeakPolarHBondContact OD2-CA 3.31Å; D258-G299 PolarHBondContact OD2-N 3.14Å
259	V	83.1	Confident	85.7	Confident	96 Å²	96	51.7 Å²	51.7	58%	0.582	29%	0.289	S	S	*	.			trans	-89.5	-1.7	-179.4	-62.9	0	0	0	0	113	V256 G261 A262 V295	V256-V259 HydrophobicContact CG1-CG1 3.77Å; V259-G261 PolarHBondContact O-N 3.08Å; V259-A262 WeakPolarHBondContact O-CB 3.18Å; V259-A262 PolarHBondContact O-N 3.43Å; V259-V295 HydrophobicContact CG1-CG1 4.3Å
260	T	82.6	Confident	86	Confident	75 Å²	75	51.1 Å²	51.1	46%	0.46	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	121.2	-176.1	-55.4	0	0	0	0	111.1	D258 A262 T300	D258-T260 VanDerWaalsContact C-N 3.33Å; D258-T260 WeakPolarHBondContact OD1-CB 3.45Å; D258-T260 PolarHBondContact OD1-N 3.44Å; D258-T260 PolarHBondContact OD1-OG1 2.85Å; T260-A262 VanDerWaalsContact C-N 3.34Å; T260-T300 HydrophobicContact CG2-CG2 3.93Å
261	G	86.9	Confident	86.5	Confident	13 Å²	13	46.5 Å²	46.5	13%	0.134	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	6.1	179.4	0	0	0	0	0	115.1	V259 G263 D264 T265	V259-G261 PolarHBondContact O-N 3.08Å; G261-G263 VanDerWaalsContact C-N 3.3Å; G261-G263 PolarHBondContact O-N 3.22Å; G261-D264 PolarHBondContact O-N 3.34Å; G261-T265 PolarHBondContact O-N 3.38Å; G261-T265 PolarHBondContact O-OG1 2.97Å; G261-T265 VanDerWaalsContact O-OG1 3.04Å
262	A	91.8	Very high	87.2	Confident	18 Å²	18	43.8 Å²	43.8	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-38.8	174.9	0	0	0	0	0	112.1	V259 T260 T265 V266 V294 V295	V259-A262 WeakPolarHBondContact O-CB 3.18Å; V259-A262 PolarHBondContact O-N 3.43Å; T260-A262 VanDerWaalsContact C-N 3.34Å; A262-T265 WeakPolarHBondContact O-CB 3.43Å; A262-T265 PolarHBondContact O-N 3.24Å; A262-V266 WeakPolarHBondContact O-CG2 3.36Å; A262-V266 PolarHBondContact O-N 3.3Å; A262-V294 HydrophobicContact CB-CG2 4.33Å; A262-V295 HydrophobicContact CB-CG1 3.83Å
263	G	94.2	Very high	88.4	Confident	39 Å²	39	41.8 Å²	41.8	40%	0.402	23%	0.23	S	C	.	.	H	α-helix	trans	-61.4	-45.1	173.9	0	0	0	0	0	112.7	G261 T265 V266 I267	G261-G263 VanDerWaalsContact C-N 3.3Å; G261-G263 PolarHBondContact O-N 3.22Å; G263-T265 VanDerWaalsContact C-N 3.25Å; G263-T265 PolarHBondContact O-N 2.9Å; G263-V266 WeakPolarHBondContact O-CB 3.45Å; G263-V266 PolarHBondContact O-N 3.12Å; G263-V266 VanDerWaalsContact O-N 3.1Å; G263-I267 PolarHBondContact O-N 2.94Å
264	D	95.6	Very high	89.4	Confident	9 Å²	9	42.1 Å²	42.1	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-37.6	176.5	-59.8	-39.5	0	0	0	111.8	N55 V56 Y152 G261 I267 G268	N55-D264 HydrophobicContact CB-CB 4.41Å; N55-D264 WeakPolarHBondContact ND2-CB 3.39Å; N55-D264 PolarHBondContact ND2-OD2 2.96Å; V56-D264 HydrophobicContact CG2-CB 3.73Å; V56-D264 WeakPolarHBondContact CG2-OD1 3.35Å; Y152-D264 PolarHBondContact OH-OD1 2.71Å; Y152-D264 PolarHBondContact OH-OD2 2.71Å; G261-D264 PolarHBondContact O-N 3.34Å; D264-I267 WeakPolarHBondContact O-CG2 3.42Å; D264-G268 PolarHBondContact O-N 3.4Å
265	T	96.1	Very high	90.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-46.2	174.5	-57	0	0	0	0	111	N59 G261 A262 G263 G268 V269 A290 V294 V303	N59-T265 PolarHBondContact OD1-OG1 2.9Å; G261-T265 PolarHBondContact O-N 3.38Å; G261-T265 PolarHBondContact O-OG1 2.97Å; G261-T265 VanDerWaalsContact O-OG1 3.04Å; A262-T265 WeakPolarHBondContact O-CB 3.43Å; A262-T265 PolarHBondContact O-N 3.24Å; G263-T265 VanDerWaalsContact C-N 3.25Å; G263-T265 PolarHBondContact O-N 2.9Å; T265-G268 PolarHBondContact O-N 3.16Å; T265-V269 HydrophobicContact CG2-CG2 4.19Å; T265-V269 WeakPolarHBondContact O-CB 3.48Å; T265-V269 WeakPolarHBondContact O-CG2 3.33Å; T265-V269 PolarHBondContact O-N 2.89Å; T265-A290 HydrophobicContact CG2-CB 3.78Å; T265-V294 HydrophobicContact CG2-CB 4.46Å; T265-V294 HydrophobicContact CG2-CG1 3.77Å; T265-V294 HydrophobicContact CG2-CG2 3.89Å; T265-V303 HydrophobicContact CG2-CG1 4.23Å
266	V	97.2	Very high	92	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-54.1	178.7	166.3	0	0	0	0	110.5	L229 T231 M237 A262 G263 G268 V269 L270 A287 A291	L229-V266 HydrophobicContact CD2-CG1 4.03Å; T231-V266 HydrophobicContact CG2-CG1 4.21Å; M237-V266 HydrophobicContact CE-CG1 4.36Å; M237-V266 HydrophobicContact CE-CG2 3.98Å; A262-V266 WeakPolarHBondContact O-CG2 3.36Å; A262-V266 PolarHBondContact O-N 3.3Å; G263-V266 WeakPolarHBondContact O-CB 3.45Å; G263-V266 PolarHBondContact O-N 3.12Å; G263-V266 VanDerWaalsContact O-N 3.1Å; V266-G268 PolarHBondContact O-N 2.96Å; V266-V269 PolarHBondContact O-N 2.96Å; V266-L270 HydrophobicContact CG1-CD1 3.72Å; V266-L270 HydrophobicContact CG1-CG 4.48Å; V266-L270 WeakPolarHBondContact O-CB 3.47Å; V266-L270 WeakPolarHBondContact O-CD1 3.22Å; V266-L270 WeakPolarHBondContact O-CG 3.48Å; V266-L270 PolarHBondContact O-N 3.5Å; V266-A287 HydrophobicContact CG1-CB 4.12Å; V266-A291 HydrophobicContact CG2-CB 3.75Å
267	I	98	Very high	92.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-34.9	-178	-163.8	170.6	0	0	0	112.5	V56 V148 L175 D177 G263 D264 L270 A271	V56-I267 HydrophobicContact CG1-CG2 3.85Å; V56-I267 HydrophobicContact CG2-CG2 3.94Å; V148-I267 HydrophobicContact CG1-CD1 3.59Å; V148-I267 HydrophobicContact CG1-CG1 3.9Å; L175-I267 HydrophobicContact CB-CD1 4.24Å; L175-I267 HydrophobicContact CB-CG1 4.23Å; L175-I267 HydrophobicContact CD2-CG1 4.46Å; D177-I267 HydrophobicContact CB-CD1 3.73Å; D177-I267 VanDerWaalsContact N-CD1 3.34Å; G263-I267 PolarHBondContact O-N 2.94Å; D264-I267 WeakPolarHBondContact O-CG2 3.42Å; I267-L270 PolarHBondContact O-N 3.39Å; I267-A271 WeakPolarHBondContact O-CB 3.15Å; I267-A271 PolarHBondContact O-N 3.43Å
268	G	97.9	Very high	93.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-48.1	174.7	0	0	0	0	0	112.6	I60 D264 T265 V266 A271 A272	I60-G268 WeakPolarHBondContact CG1-O 3.45Å; D264-G268 PolarHBondContact O-N 3.4Å; T265-G268 PolarHBondContact O-N 3.16Å; V266-G268 PolarHBondContact O-N 2.96Å; G268-A271 PolarHBondContact O-N 3.38Å; G268-A272 WeakPolarHBondContact O-CB 3.37Å; G268-A272 PolarHBondContact O-N 2.72Å
269	V	97.5	Very high	94.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.1	-39.5	179	175.7	0	0	0	0	111.3	L63 T265 V266 A271 T273 F286 A287 A290 V303 L308	L63-V269 HydrophobicContact CD1-CB 4.33Å; L63-V269 HydrophobicContact CD1-CG2 3.88Å; T265-V269 HydrophobicContact CG2-CG2 4.19Å; T265-V269 WeakPolarHBondContact O-CB 3.48Å; T265-V269 WeakPolarHBondContact O-CG2 3.33Å; T265-V269 PolarHBondContact O-N 2.89Å; V266-V269 PolarHBondContact O-N 2.96Å; V269-A271 PolarHBondContact O-N 3.49Å; V269-T273 VanDerWaalsContact O-CB 3.3Å; V269-T273 WeakPolarHBondContact O-CB 3.17Å; V269-T273 PolarHBondContact O-N 2.95Å; V269-T273 PolarHBondContact O-OG1 3.42Å; V269-F286 HydrophobicContact CG1-CB 3.72Å; V269-A287 HydrophobicContact CB-CB 4.23Å; V269-A287 HydrophobicContact CG1-CB 4.2Å; V269-A290 HydrophobicContact CB-CB 4.33Å; V269-A290 HydrophobicContact CG1-CB 4.34Å; V269-A290 HydrophobicContact CG2-CB 3.52Å; V269-V303 HydrophobicContact CG2-CG1 4Å; V269-L308 HydrophobicContact CG1-CD2 4.45Å
270	L	97.9	Very high	95.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.1	-51.4	173.4	-77.1	164.6	0	0	0	111	L175 L191 T193 L229 V266 I267 T273 L274 A283 C284 A287	L175-L270 HydrophobicContact CD2-CB 3.65Å; L191-L270 HydrophobicContact CD2-CD1 3.91Å; L191-L270 HydrophobicContact CD2-CD2 4.4Å; T193-L270 HydrophobicContact CG2-CD1 3.99Å; L229-L270 HydrophobicContact CD2-CD1 3.5Å; L229-L270 HydrophobicContact CD2-CD2 4.4Å; V266-L270 HydrophobicContact CG1-CD1 3.72Å; V266-L270 HydrophobicContact CG1-CG 4.48Å; V266-L270 WeakPolarHBondContact O-CB 3.47Å; V266-L270 WeakPolarHBondContact O-CD1 3.22Å; V266-L270 WeakPolarHBondContact O-CG 3.48Å; V266-L270 PolarHBondContact O-N 3.5Å; I267-L270 PolarHBondContact O-N 3.39Å; L270-T273 PolarHBondContact O-N 3.5Å; L270-L274 WeakPolarHBondContact O-CB 3.48Å; L270-L274 WeakPolarHBondContact O-CG 3.36Å; L270-L274 PolarHBondContact O-N 2.91Å; L270-A283 VanDerWaalsContact CD2-C 3.5Å; L270-A283 HydrophobicContact CD2-CB 3.82Å; L270-C284 HydrophobicContact CD2-CB 4.26Å; L270-C284 VanDerWaalsContact CD2-SG 3.55Å; L270-A287 HydrophobicContact CD1-CB 4.45Å; L270-A287 HydrophobicContact CD2-CB 4.08Å; L270-A287 HydrophobicContact CG-CB 3.73Å
271	A	98.3	Very high	95.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-44.9	-177.5	0	0	0	0	0	112.1	V13 A146 V148 L175 I267 G268 V269 T273 L274 A275	V13-A271 HydrophobicContact CG1-CB 3.74Å; V13-A271 HydrophobicContact CG2-CB 4.36Å; A146-A271 HydrophobicContact CB-CB 4.35Å; V148-A271 HydrophobicContact CG2-CB 3.26Å; L175-A271 HydrophobicContact CD2-CB 4.08Å; I267-A271 WeakPolarHBondContact O-CB 3.15Å; I267-A271 PolarHBondContact O-N 3.43Å; G268-A271 PolarHBondContact O-N 3.38Å; V269-A271 PolarHBondContact O-N 3.49Å; A271-T273 VanDerWaalsContact C-N 3.33Å; A271-T273 PolarHBondContact O-N 2.9Å; A271-L274 PolarHBondContact O-N 3.37Å; A271-A275 WeakPolarHBondContact O-CB 3.46Å; A271-A275 PolarHBondContact O-N 2.96Å
272	A	98.1	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-40.5	178.1	0	0	0	0	0	111.8	F8 A11 I60 L63 A65 G268 A276	F8-A272 HydrophobicContact CD1-CB 3.82Å; F8-A272 HydrophobicContact CE1-CB 3.92Å; A11-A272 WeakPolarHBondContact CB-O 3.32Å; I60-A272 HydrophobicContact CG2-CB 4.48Å; L63-A272 HydrophobicContact CD1-CB 3.79Å; A65-A272 HydrophobicContact CB-CB 4.21Å; G268-A272 WeakPolarHBondContact O-CB 3.37Å; G268-A272 PolarHBondContact O-N 2.72Å; A272-A276 WeakPolarHBondContact O-CB 3.45Å; A272-A276 PolarHBondContact O-N 2.95Å; A272-A276 VanDerWaalsContact O-N 3.08Å
273	T	97	Very high	96.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.3	-44.6	179.4	-53.3	0	0	0	0	111.9	P6 V269 L270 A271 A275 A276 G277 N278 A283 F286	P6-T273 HydrophobicContact CG-CG2 3.6Å; V269-T273 VanDerWaalsContact O-CB 3.3Å; V269-T273 WeakPolarHBondContact O-CB 3.17Å; V269-T273 PolarHBondContact O-N 2.95Å; V269-T273 PolarHBondContact O-OG1 3.42Å; L270-T273 PolarHBondContact O-N 3.5Å; A271-T273 VanDerWaalsContact C-N 3.33Å; A271-T273 PolarHBondContact O-N 2.9Å; T273-A275 VanDerWaalsContact C-N 3.33Å; T273-A275 PolarHBondContact O-N 3.08Å; T273-A276 WeakPolarHBondContact O-CB 3.44Å; T273-A276 PolarHBondContact O-N 2.91Å; T273-A276 VanDerWaalsContact O-N 3.17Å; T273-G277 PolarHBondContact O-N 2.95Å; T273-N278 HydrophobicContact CG2-CB 3.44Å; T273-N278 VanDerWaalsContact CG2-CB 3.44Å; T273-N278 WeakPolarHBondContact O-CB 3.4Å; T273-N278 PolarHBondContact O-N 3.35Å; T273-A283 HydrophobicContact CG2-CB 3.84Å; T273-F286 HydrophobicContact CG2-CD2 3.75Å; T273-F286 HydrophobicContact CG2-CE2 4.09Å
274	L	96.9	Very high	96.1	Very high	29 Å²	29	16.9 Å²	16.9	15%	0.152	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-41.2	175.1	-74.2	174.5	0	0	0	111.8	L175 L270 A271 A276 G277 L280 A283	L175-L274 HydrophobicContact CD1-CD1 3.91Å; L175-L274 HydrophobicContact CD2-CD1 3.97Å; L175-L274 HydrophobicContact CG-CD1 4.29Å; L270-L274 WeakPolarHBondContact O-CB 3.48Å; L270-L274 WeakPolarHBondContact O-CG 3.36Å; L270-L274 PolarHBondContact O-N 2.91Å; A271-L274 PolarHBondContact O-N 3.37Å; L274-A276 PolarHBondContact O-N 3.1Å; L274-G277 PolarHBondContact O-N 2.89Å; L274-L280 HydrophobicContact CD1-CD1 3.99Å; L274-L280 HydrophobicContact CD2-CB 4.29Å; L274-L280 HydrophobicContact CD2-CD1 4.32Å; L274-A283 HydrophobicContact CD2-CB 4.21Å; L274-A283 HydrophobicContact CG-CB 3.96Å
275	A	97.8	Very high	96	Very high	16 Å²	16	18.3 Å²	18.3	13%	0.132	12%	0.119	C	C	.	.	H	α-helix	trans	-67.3	-21.2	176.9	0	0	0	0	0	113.3	A11 V13 A146 A271 T273 G277	A11-A275 HydrophobicContact CB-CB 3.8Å; V13-A275 HydrophobicContact CG2-CB 3.72Å; A146-A275 HydrophobicContact CB-CB 4.03Å; A271-A275 WeakPolarHBondContact O-CB 3.46Å; A271-A275 PolarHBondContact O-N 2.96Å; T273-A275 VanDerWaalsContact C-N 3.33Å; T273-A275 PolarHBondContact O-N 3.08Å; A275-G277 VanDerWaalsContact C-N 3.28Å
276	A	95.7	Very high	95.9	Very high	31 Å²	31	18.3 Å²	18.3	26%	0.256	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.4	170.5	0	0	0	0	0	113.4	P6 A11 A272 T273 L274	P6-A276 HydrophobicContact CB-CB 3.68Å; A11-A276 HydrophobicContact CB-CB 4.23Å; A272-A276 WeakPolarHBondContact O-CB 3.45Å; A272-A276 PolarHBondContact O-N 2.95Å; A272-A276 VanDerWaalsContact O-N 3.08Å; T273-A276 WeakPolarHBondContact O-CB 3.44Å; T273-A276 PolarHBondContact O-N 2.91Å; T273-A276 VanDerWaalsContact O-N 3.17Å; L274-A276 PolarHBondContact O-N 3.1Å
277	G	94.3	Very high	95.8	Very high	70 Å²	70	18 Å²	18	72%	0.722	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.4	7.1	176.2	0	0	0	0	0	115.3	T273 L274 A275	T273-G277 PolarHBondContact O-N 2.95Å; L274-G277 PolarHBondContact O-N 2.89Å; A275-G277 VanDerWaalsContact C-N 3.28Å
278	N	93.9	Very high	95.6	Very high	37 Å²	37	18.2 Å²	18.2	20%	0.198	12%	0.119	C	C	.	.			trans	-76.2	165.9	177.6	-72.2	92	0	0	0	113	P6 T273 E282	P6-N278 WeakPolarHBondContact CB-OD1 3.46Å; P6-N278 WeakPolarHBondContact CG-OD1 3.1Å; T273-N278 HydrophobicContact CG2-CB 3.44Å; T273-N278 VanDerWaalsContact CG2-CB 3.44Å; T273-N278 WeakPolarHBondContact O-CB 3.4Å; T273-N278 PolarHBondContact O-N 3.35Å; N278-E282 WeakPolarHBondContact CA-OE2 3.47Å; N278-E282 HydrophobicContact CB-CB 4.22Å; N278-E282 VanDerWaalsContact CB-OE2 3.27Å; N278-E282 WeakPolarHBondContact CB-OE2 3.35Å; N278-E282 PolarHBondContact ND2-OE2 3.44Å
279	S	94	Very high	95.4	Very high	42 Å²	42	18.2 Å²	18.2	29%	0.294	12%	0.119	S	C	.	.			trans	-73.1	161.4	176.5	100.1	0	0	0	0	112.1	E281 E282 A283	S279-E281 VanDerWaalsContact C-N 3.29Å; S279-E281 WeakPolarHBondContact CB-OE2 3.5Å; S279-E281 PolarHBondContact O-N 2.94Å; S279-E281 PolarHBondContact OG-N 3.39Å; S279-E281 PolarHBondContact OG-OE2 3.48Å; S279-E282 PolarHBondContact N-OE2 3.28Å; S279-E282 PolarHBondContact O-N 3.31Å; S279-E282 PolarHBondContact OG-N 3.21Å; S279-A283 WeakPolarHBondContact O-CB 3.25Å; S279-A283 PolarHBondContact O-N 3.13Å
280	L	95.1	Very high	95.2	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.11	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-35.5	176.3	-177.7	61.3	0	0	0	112.2	L191 A227 L239 Q241 L274 A283 C284	L191-L280 HydrophobicContact CD1-CD1 4.37Å; L191-L280 HydrophobicContact CD1-CD2 4.35Å; L191-L280 HydrophobicContact CD2-CD1 3.9Å; A227-L280 HydrophobicContact CB-CD2 3.35Å; L239-L280 HydrophobicContact CD1-CD2 3.84Å; L239-L280 HydrophobicContact CD1-CG 4.08Å; L239-L280 HydrophobicContact CD2-CG 4.19Å; Q241-L280 HydrophobicContact CG-CD2 4.33Å; L274-L280 HydrophobicContact CD1-CD1 3.99Å; L274-L280 HydrophobicContact CD2-CB 4.29Å; L274-L280 HydrophobicContact CD2-CD1 4.32Å; L280-A283 PolarHBondContact O-N 2.67Å; L280-C284 WeakPolarHBondContact O-CB 3.44Å; L280-C284 PolarHBondContact O-N 3.26Å; L280-C284 PolarHBondContact O-SG 3.46Å
281	E	94.2	Very high	95	Very high	50 Å²	50	18.9 Å²	18.9	23%	0.234	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-43.3	175.1	-57.5	87	162.7	0	0	111.5	L239 Q241 K244 L247 S279 C284 F285	L239-E281 HydrophobicContact CD2-CG 4.13Å; Q241-E281 PolarHBondContact OE1-OE1 3.39Å; K244-E281 IonicContact NZ-OE1 2.63Å; K244-E281 PolarHBondContact NZ-OE1 2.92Å; L247-E281 HydrophobicContact CD2-CB 4.06Å; L247-E281 HydrophobicContact CD2-CG 4.2Å; S279-E281 VanDerWaalsContact C-N 3.29Å; S279-E281 WeakPolarHBondContact CB-OE2 3.5Å; S279-E281 PolarHBondContact O-N 2.94Å; S279-E281 PolarHBondContact OG-N 3.39Å; S279-E281 PolarHBondContact OG-OE2 3.48Å; E281-C284 PolarHBondContact O-N 2.79Å; E281-F285 WeakPolarHBondContact O-CB 3.39Å; E281-F285 PolarHBondContact O-N 3.43Å
282	E	92.7	Very high	94.6	Very high	43 Å²	43	19.3 Å²	19.3	20%	0.201	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-47.2	173.2	-69	179.6	141	0	0	110.8	M1 N278 S279 C284 F285 F286	M1-E282 HydrophobicContact CE-CG 3.44Å; M1-E282 VanDerWaalsContact CE-CG 3.44Å; M1-E282 VanDerWaalsContact CE-OE1 3.24Å; M1-E282 WeakPolarHBondContact CE-OE1 3.29Å; M1-E282 HydrophobicContact SD-CG 3.76Å; N278-E282 WeakPolarHBondContact CA-OE2 3.47Å; N278-E282 HydrophobicContact CB-CB 4.22Å; N278-E282 VanDerWaalsContact CB-OE2 3.27Å; N278-E282 WeakPolarHBondContact CB-OE2 3.35Å; N278-E282 PolarHBondContact ND2-OE2 3.44Å; S279-E282 PolarHBondContact N-OE2 3.28Å; S279-E282 PolarHBondContact O-N 3.31Å; S279-E282 PolarHBondContact OG-N 3.21Å; E282-C284 VanDerWaalsContact C-N 3.31Å; E282-C284 PolarHBondContact O-N 2.75Å; E282-F285 WeakPolarHBondContact O-CA 3.43Å; E282-F285 WeakPolarHBondContact O-CB 3.47Å; E282-F285 PolarHBondContact O-N 3.46Å; E282-F285 VanDerWaalsContact O-N 3.08Å; E282-F286 HydrophobicContact CB-CE2 4.32Å; E282-F286 WeakPolarHBondContact O-CD2 3.49Å; E282-F286 PolarHBondContact O-N 2.87Å
283	A	95.8	Very high	94.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.8	-45	177.8	0	0	0	0	0	111.7	L270 T273 L274 S279 L280 F285 F286 A287	L270-A283 VanDerWaalsContact CD2-C 3.5Å; L270-A283 HydrophobicContact CD2-CB 3.82Å; T273-A283 HydrophobicContact CG2-CB 3.84Å; L274-A283 HydrophobicContact CD2-CB 4.21Å; L274-A283 HydrophobicContact CG-CB 3.96Å; S279-A283 WeakPolarHBondContact O-CB 3.25Å; S279-A283 PolarHBondContact O-N 3.13Å; L280-A283 PolarHBondContact O-N 2.67Å; A283-F285 VanDerWaalsContact C-N 3.34Å; A283-F285 PolarHBondContact O-N 2.7Å; A283-F286 PolarHBondContact O-N 3.4Å; A283-A287 VanDerWaalsContact O-CB 3.3Å; A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 3.05Å
284	C	95.1	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-37	176.7	-65.9	0	0	0	0	112.1	L239 M249 L270 L280 E281 E282 A287 N288	L239-C284 HydrophobicContact CD2-CB 4.4Å; M249-C284 HydrophobicContact CE-CB 3.41Å; M249-C284 VanDerWaalsContact CE-CB 3.41Å; M249-C284 HydrophobicContact SD-CB 4Å; L270-C284 HydrophobicContact CD2-CB 4.26Å; L270-C284 VanDerWaalsContact CD2-SG 3.55Å; L280-C284 WeakPolarHBondContact O-CB 3.44Å; L280-C284 PolarHBondContact O-N 3.26Å; L280-C284 PolarHBondContact O-SG 3.46Å; E281-C284 PolarHBondContact O-N 2.79Å; E282-C284 VanDerWaalsContact C-N 3.31Å; E282-C284 PolarHBondContact O-N 2.75Å; C284-A287 PolarHBondContact O-N 3.03Å; C284-N288 WeakPolarHBondContact O-CB 3.33Å; C284-N288 PolarHBondContact O-N 3.42Å
285	F	92.6	Very high	93.5	Very high	39 Å²	39	20.4 Å²	20.4	17%	0.171	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-50.2	174.3	178.9	-87.5	0	0	0	110.9	V3 E281 E282 A283 N288 A289 V312 R315 T318	V3-F285 HydrophobicContact CB-CE1 4.11Å; V3-F285 HydrophobicContact CG1-CD1 4.08Å; V3-F285 HydrophobicContact CG1-CE1 3.84Å; V3-F285 HydrophobicContact CG2-CD1 4.18Å; V3-F285 HydrophobicContact CG2-CE1 3.66Å; V3-F285 HydrophobicContact CG2-CZ 4.02Å; E281-F285 WeakPolarHBondContact O-CB 3.39Å; E281-F285 PolarHBondContact O-N 3.43Å; E282-F285 WeakPolarHBondContact O-CA 3.43Å; E282-F285 WeakPolarHBondContact O-CB 3.47Å; E282-F285 PolarHBondContact O-N 3.46Å; E282-F285 VanDerWaalsContact O-N 3.08Å; A283-F285 VanDerWaalsContact C-N 3.34Å; A283-F285 PolarHBondContact O-N 2.7Å; F285-N288 PolarHBondContact O-N 2.89Å; F285-A289 PolarHBondContact O-N 2.87Å; F285-V312 HydrophobicContact CD1-CG2 4.5Å; F285-V312 HydrophobicContact CE1-CB 4.4Å; F285-V312 HydrophobicContact CE1-CG1 3.81Å; F285-V312 HydrophobicContact CE1-CG2 3.93Å; F285-V312 HydrophobicContact CZ-CG1 4.41Å; F285-R315 VanDerWaalsContact CD2-NH1 3.28Å; F285-R315 VanDerWaalsContact CD2-NH2 3.35Å; F285-R315 VanDerWaalsContact CE2-NE 3.29Å; F285-R315 VanDerWaalsContact CE2-NH1 3.27Å; F285-R315 PolarHBondContact O-NH1 2.61Å; F285-R315 PolarHBondContact O-NH2 3.35Å; F285-T318 HydrophobicContact CZ-CG2 4.29Å
286	F	94	Very high	92.8	Very high	1 Å²	1	21 Å²	21	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-42	176.6	-69	-68.1	0	0	0	112.5	V3 L5 P6 V269 T273 E282 A283 N288 A289 A290 L308 V312	V3-F286 HydrophobicContact CB-CZ 4.43Å; V3-F286 HydrophobicContact CG1-CD1 4.13Å; V3-F286 HydrophobicContact CG1-CE1 3.1Å; V3-F286 HydrophobicContact CG1-CE2 3.89Å; V3-F286 HydrophobicContact CG1-CZ 2.97Å; L5-F286 HydrophobicContact CD2-CD1 4.13Å; L5-F286 HydrophobicContact CD2-CE1 3.74Å; P6-F286 HydrophobicContact CG-CD2 4.23Å; P6-F286 HydrophobicContact CG-CE2 3.76Å; P6-F286 HydrophobicContact CG-CZ 4.08Å; V269-F286 HydrophobicContact CG1-CB 3.72Å; T273-F286 HydrophobicContact CG2-CD2 3.75Å; T273-F286 HydrophobicContact CG2-CE2 4.09Å; E282-F286 HydrophobicContact CB-CE2 4.32Å; E282-F286 WeakPolarHBondContact O-CD2 3.49Å; E282-F286 PolarHBondContact O-N 2.87Å; A283-F286 PolarHBondContact O-N 3.4Å; F286-N288 VanDerWaalsContact C-N 3.31Å; F286-N288 PolarHBondContact O-N 2.91Å; F286-A289 WeakPolarHBondContact O-CB 3.36Å; F286-A289 PolarHBondContact O-N 2.74Å; F286-A289 VanDerWaalsContact O-N 3.08Å; F286-A290 WeakPolarHBondContact O-CB 3.44Å; F286-A290 PolarHBondContact O-N 2.78Å; F286-L308 HydrophobicContact CB-CD1 4.44Å; F286-L308 HydrophobicContact CB-CD2 4.35Å; F286-L308 HydrophobicContact CD1-CD1 4.35Å; F286-L308 HydrophobicContact CD1-CD2 4.14Å; F286-L308 HydrophobicContact CD1-CG 4.23Å; F286-L308 WeakPolarHBondContact O-CD1 3.35Å; F286-V312 HydrophobicContact CD1-CG2 3.81Å; F286-V312 HydrophobicContact CE1-CG2 4.03Å
287	A	95.7	Very high	92.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-38.7	179.3	0	0	0	0	0	112.4	V266 V269 L270 A283 C284 A289 A290 A291	V266-A287 HydrophobicContact CG1-CB 4.12Å; V269-A287 HydrophobicContact CB-CB 4.23Å; V269-A287 HydrophobicContact CG1-CB 4.2Å; L270-A287 HydrophobicContact CD1-CB 4.45Å; L270-A287 HydrophobicContact CD2-CB 4.08Å; L270-A287 HydrophobicContact CG-CB 3.73Å; A283-A287 VanDerWaalsContact O-CB 3.3Å; A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 3.05Å; C284-A287 PolarHBondContact O-N 3.03Å; A287-A289 VanDerWaalsContact C-N 3.35Å; A287-A290 PolarHBondContact O-N 2.82Å; A287-A291 WeakPolarHBondContact O-CB 3.27Å; A287-A291 PolarHBondContact O-N 3.01Å
288	N	94.1	Very high	91.3	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-35.9	173.8	-170.1	54.3	0	0	0	112.8	M237 M249 P250 Q252 C284 F285 F286 G292 R315	M237-N288 VanDerWaalsContact CE-CA 3.46Å; M237-N288 HydrophobicContact CE-CB 3.65Å; M237-N288 HydrophobicContact CG-CB 4.27Å; M237-N288 HydrophobicContact SD-CB 3.71Å; M249-N288 HydrophobicContact CB-CB 4.48Å; M249-N288 HydrophobicContact SD-CB 4.49Å; P250-N288 PolarHBondContact O-ND2 2.66Å; Q252-N288 PolarHBondContact NE2-ND2 3.33Å; Q252-N288 PolarHBondContact NE2-O 3.4Å; C284-N288 WeakPolarHBondContact O-CB 3.33Å; C284-N288 PolarHBondContact O-N 3.42Å; F285-N288 PolarHBondContact O-N 2.89Å; F286-N288 VanDerWaalsContact C-N 3.31Å; F286-N288 PolarHBondContact O-N 2.91Å; N288-G292 PolarHBondContact O-N 3.24Å; N288-G292 VanDerWaalsContact O-N 3.14Å; N288-R315 PolarHBondContact ND2-NH2 3.2Å
289	A	91.9	Very high	90.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.9	-46.2	175.2	0	0	0	0	0	111	F285 F286 A287 A291 G292 V293 L308 A311 V312	F285-A289 PolarHBondContact O-N 2.87Å; F286-A289 WeakPolarHBondContact O-CB 3.36Å; F286-A289 PolarHBondContact O-N 2.74Å; F286-A289 VanDerWaalsContact O-N 3.08Å; A287-A289 VanDerWaalsContact C-N 3.35Å; A289-A291 VanDerWaalsContact C-N 3.35Å; A289-A291 PolarHBondContact O-N 2.78Å; A289-G292 PolarHBondContact O-N 2.85Å; A289-G292 VanDerWaalsContact O-N 3.15Å; A289-V293 WeakPolarHBondContact O-CG2 3.34Å; A289-V293 PolarHBondContact O-N 3.07Å; A289-L308 HydrophobicContact CB-CD1 3.85Å; A289-A311 HydrophobicContact CB-CB 4.09Å; A289-V312 HydrophobicContact CB-CG2 3.94Å
290	A	94	Very high	89.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-45.8	175.5	0	0	0	0	0	112.1	T265 V269 F286 A287 G292 V293 V294 V303 L308	T265-A290 HydrophobicContact CG2-CB 3.78Å; V269-A290 HydrophobicContact CB-CB 4.33Å; V269-A290 HydrophobicContact CG1-CB 4.34Å; V269-A290 HydrophobicContact CG2-CB 3.52Å; F286-A290 WeakPolarHBondContact O-CB 3.44Å; F286-A290 PolarHBondContact O-N 2.78Å; A287-A290 PolarHBondContact O-N 2.82Å; A290-G292 VanDerWaalsContact C-N 3.32Å; A290-G292 PolarHBondContact O-N 3.49Å; A290-V293 WeakPolarHBondContact O-CB 3.47Å; A290-V293 PolarHBondContact O-N 2.92Å; A290-V293 VanDerWaalsContact O-N 3.09Å; A290-V294 WeakPolarHBondContact O-CG2 3.41Å; A290-V294 PolarHBondContact O-N 3.38Å; A290-V303 HydrophobicContact CB-CB 4.38Å; A290-V303 HydrophobicContact CB-CG1 3.79Å; A290-V303 HydrophobicContact CB-CG2 4.49Å; A290-L308 HydrophobicContact CB-CD1 4.07Å
291	A	93.3	Very high	89	Confident	14 Å²	14	23 Å²	23	12%	0.116	13%	0.133	C	C	.	.	H	α-helix	trans	-55.3	-47.7	174.1	0	0	0	0	0	111.3	V266 A287 A289 V293 V294 V295	V266-A291 HydrophobicContact CG2-CB 3.75Å; A287-A291 WeakPolarHBondContact O-CB 3.27Å; A287-A291 PolarHBondContact O-N 3.01Å; A289-A291 VanDerWaalsContact C-N 3.35Å; A289-A291 PolarHBondContact O-N 2.78Å; A291-V293 PolarHBondContact O-N 3.4Å; A291-V294 WeakPolarHBondContact O-CG2 3.44Å; A291-V294 PolarHBondContact O-N 2.89Å; A291-V295 WeakPolarHBondContact O-CG1 3.41Å; A291-V295 WeakPolarHBondContact O-CG2 3.48Å; A291-V295 PolarHBondContact O-N 2.77Å; A291-V295 VanDerWaalsContact O-N 3.07Å
292	G	90.1	Very high	88.8	Confident	10 Å²	10	22.9 Å²	22.9	10%	0.103	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-32	176.7	0	0	0	0	0	114.1	N288 A289 A290	N288-G292 PolarHBondContact O-N 3.24Å; N288-G292 VanDerWaalsContact O-N 3.14Å; A289-G292 PolarHBondContact O-N 2.85Å; A289-G292 VanDerWaalsContact O-N 3.15Å; A290-G292 VanDerWaalsContact C-N 3.32Å; A290-G292 PolarHBondContact O-N 3.49Å
293	V	89.1	Confident	88.6	Confident	31 Å²	31	20.8 Å²	20.8	19%	0.188	13%	0.125	C	C	.	.	H	α-helix	trans	-74.7	-50.6	175.1	173.9	0	0	0	0	111.7	A289 A290 A291 V295 G296 V303 E307 A311	A289-V293 WeakPolarHBondContact O-CG2 3.34Å; A289-V293 PolarHBondContact O-N 3.07Å; A290-V293 WeakPolarHBondContact O-CB 3.47Å; A290-V293 PolarHBondContact O-N 2.92Å; A290-V293 VanDerWaalsContact O-N 3.09Å; A291-V293 PolarHBondContact O-N 3.4Å; V293-V295 VanDerWaalsContact C-N 3.35Å; V293-V295 PolarHBondContact O-N 3.32Å; V293-G296 PolarHBondContact O-N 3.17Å; V293-G296 VanDerWaalsContact O-N 3.1Å; V293-V303 HydrophobicContact CB-CG2 4.34Å; V293-V303 HydrophobicContact CG1-CG2 4.18Å; V293-E307 HydrophobicContact CG1-CB 4.18Å; V293-A311 HydrophobicContact CG2-CB 3.5Å; V293-A311 VanDerWaalsContact CG2-CB 3.5Å
294	V	91.1	Very high	88.2	Confident	5 Å²	5	22.6 Å²	22.6	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-72	-28.6	-171.8	-62.8	0	0	0	0	113	A262 T265 A290 A291 G296 K297 V303	A262-V294 HydrophobicContact CB-CG2 4.33Å; T265-V294 HydrophobicContact CG2-CB 4.46Å; T265-V294 HydrophobicContact CG2-CG1 3.77Å; T265-V294 HydrophobicContact CG2-CG2 3.89Å; A290-V294 WeakPolarHBondContact O-CG2 3.41Å; A290-V294 PolarHBondContact O-N 3.38Å; A291-V294 WeakPolarHBondContact O-CG2 3.44Å; A291-V294 PolarHBondContact O-N 2.89Å; V294-G296 PolarHBondContact O-N 3.04Å; V294-K297 WeakPolarHBondContact O-CB 3.18Å; V294-K297 PolarHBondContact O-N 3.14Å; V294-V303 HydrophobicContact CG1-CB 4.18Å
295	V	88.8	Confident	87.8	Confident	15 Å²	15	24.8 Å²	24.8	9%	0.091	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.2	173.2	-60.4	0	0	0	0	112.4	A253 V256 Y257 D258 V259 A262 A291 V293 K297	A253-V295 HydrophobicContact CB-CG2 3.39Å; V256-V295 HydrophobicContact CG1-CB 4.41Å; V256-V295 HydrophobicContact CG2-CG2 4.18Å; Y257-V295 PolarHBondContact N-O 3.43Å; D258-V295 PolarHBondContact N-O 2.87Å; D258-V295 WeakPolarHBondContact O-CA 3.2Å; V259-V295 HydrophobicContact CG1-CG1 4.3Å; A262-V295 HydrophobicContact CB-CG1 3.83Å; A291-V295 WeakPolarHBondContact O-CG1 3.41Å; A291-V295 WeakPolarHBondContact O-CG2 3.48Å; A291-V295 PolarHBondContact O-N 2.77Å; A291-V295 VanDerWaalsContact O-N 3.07Å; V293-V295 VanDerWaalsContact C-N 3.35Å; V293-V295 PolarHBondContact O-N 3.32Å; V295-K297 PolarHBondContact O-N 3.27Å
296	G	84.2	Confident	87.1	Confident	28 Å²	28	28.4 Å²	28.4	29%	0.289	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.3	172.1	0	0	0	0	0	114.2	Y257 V293 V294	Y257-G296 WeakPolarHBondContact CD2-O 3.49Å; V293-G296 PolarHBondContact O-N 3.17Å; V293-G296 VanDerWaalsContact O-N 3.1Å; V294-G296 PolarHBondContact O-N 3.04Å
297	K	81.7	Confident	86.7	Confident	49 Å²	49	31.5 Å²	31.5	21%	0.213	19%	0.187	C	C	.	.	S	Bend	trans	-116.9	163.9	-176.7	-63.8	174.4	178	177.3	0	110.3	D258 V294 V295 S301 T302 E307	D258-K297 WeakPolarHBondContact CB-O 3.33Å; V294-K297 WeakPolarHBondContact O-CB 3.18Å; V294-K297 PolarHBondContact O-N 3.14Å; V295-K297 PolarHBondContact O-N 3.27Å; K297-S301 WeakPolarHBondContact CB-OG 3.44Å; K297-S301 VanDerWaalsContact CD-OG 3.29Å; K297-S301 WeakPolarHBondContact CD-OG 3.46Å; K297-T302 PolarHBondContact NZ-O 3.04Å; K297-E307 WeakPolarHBondContact CE-OE1 3.25Å; K297-E307 IonicContact NZ-OE1 2.73Å; K297-E307 PolarHBondContact NZ-OE1 3.32Å; K297-E307 IonicContact NZ-OE2 2.83Å; K297-E307 PolarHBondContact NZ-OE2 3.43Å
298	L	75.4	Confident	86.4	Confident	143 Å²	143	31.5 Å²	31.5	75%	0.749	19%	0.187	S	C	*	.	S	Bend	trans	-92.1	131.3	179.9	-170	73.7	0	0	0	111.5	D258	D258-L298 HydrophobicContact CB-CD1 4.49Å
299	G	75.1	Confident	85.8	Confident	8 Å²	8	34.6 Å²	34.6	8%	0.082	20%	0.201	C	C	.	.	S	Bend	trans	71.1	-165.3	177.2	0	0	0	0	0	114.4	D258 S301	D258-G299 VanDerWaalsContact OD2-CA 3.22Å; D258-G299 WeakPolarHBondContact OD2-CA 3.31Å; D258-G299 PolarHBondContact OD2-N 3.14Å; G299-S301 PolarHBondContact O-N 3.27Å
300	T	78.1	Confident	85.1	Confident	21 Å²	21	39.1 Å²	39.1	13%	0.129	23%	0.225	C	C	.	.	S	Bend	trans	-70.1	70.2	175.5	54.6	0	0	0	0	111.1	T260	T260-T300 HydrophobicContact CG2-CG2 3.93Å
301	S	82.3	Confident	84.5	Confident	24 Å²	24	40.3 Å²	40.3	17%	0.168	24%	0.235	C	C	.	.			trans	-84.6	162.5	175.7	72.2	0	0	0	0	111.2	K297 G299	K297-S301 WeakPolarHBondContact CB-OG 3.44Å; K297-S301 VanDerWaalsContact CD-OG 3.29Å; K297-S301 WeakPolarHBondContact CD-OG 3.46Å; G299-S301 PolarHBondContact O-N 3.27Å
302	T	89.5	Confident	83.9	Confident	46 Å²	46	40.1 Å²	40.1	28%	0.282	23%	0.232	S	C	.	.			trans	-114.1	168.8	175.5	62.1	0	0	0	0	111	M58 N59 S62 K297	M58-T302 HydrophobicContact CB-CG2 4.08Å; N59-T302 WeakPolarHBondContact OD1-CA 3.38Å; S62-T302 WeakPolarHBondContact CB-OG1 3.33Å; S62-T302 WeakPolarHBondContact OG-CB 3.31Å; K297-T302 PolarHBondContact NZ-O 3.04Å
303	V	89.8	Confident	82.9	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.			trans	-106.1	134.1	172.6	67	0	0	0	0	110.4	S62 L63 T265 V269 A290 V293 V294 E307 L308	S62-V303 WeakPolarHBondContact CB-O 3.39Å; S62-V303 PolarHBondContact OG-O 3.2Å; L63-V303 HydrophobicContact CD2-CG1 3.97Å; T265-V303 HydrophobicContact CG2-CG1 4.23Å; V269-V303 HydrophobicContact CG2-CG1 4Å; A290-V303 HydrophobicContact CB-CB 4.38Å; A290-V303 HydrophobicContact CB-CG1 3.79Å; A290-V303 HydrophobicContact CB-CG2 4.49Å; V293-V303 HydrophobicContact CB-CG2 4.34Å; V293-V303 HydrophobicContact CG1-CG2 4.18Å; V294-V303 HydrophobicContact CG1-CB 4.18Å; V303-E307 HydrophobicContact CG2-CB 3.97Å; V303-L308 HydrophobicContact CG2-CB 3.97Å
304	S	87	Confident	81.6	Confident	38 Å²	38	48.7 Å²	48.7	27%	0.266	28%	0.279	S	S	.	.			trans	-88.6	160.5	170.8	64.3	0	0	0	0	111.6	I306 E307 L308	S304-I306 VanDerWaalsContact C-N 3.27Å; S304-I306 PolarHBondContact O-N 2.91Å; S304-E307 PolarHBondContact N-OE2 3.29Å; S304-E307 PolarHBondContact O-N 3.45Å; S304-E307 WeakPolarHBondContact OG-CB 3.37Å; S304-E307 VanDerWaalsContact OG-CD 3.29Å; S304-E307 WeakPolarHBondContact OG-CG 3.24Å; S304-E307 PolarHBondContact OG-N 3.01Å; S304-E307 PolarHBondContact OG-OE2 2.96Å; S304-L308 PolarHBondContact O-N 2.94Å
305	P	86.4	Confident	79.8	Confident	45 Å²	45	50.4 Å²	50.4	29%	0.292	28%	0.284	S	S	.	.	H	α-helix	trans	-54.9	-42.4	175	-28.6	36.9	0	0	0	112.4	L5 S62 L63 E307 L308 E309	L5-P305 HydrophobicContact CD1-CB 4.13Å; L5-P305 VanDerWaalsContact CD1-O 3.32Å; L5-P305 WeakPolarHBondContact CD1-O 3.44Å; S62-P305 WeakPolarHBondContact O-CD 3.36Å; L63-P305 WeakPolarHBondContact O-CG 3.45Å; P305-E307 PolarHBondContact O-N 3.4Å; P305-L308 PolarHBondContact O-N 2.96Å; P305-E309 WeakPolarHBondContact O-CB 3.46Å; P305-E309 PolarHBondContact O-N 3.1Å
306	I	77.6	Confident	77.6	Confident	116 Å²	116	51 Å²	51	60%	0.595	29%	0.291	S	S	*	.	H	α-helix	trans	-63.4	-44.3	-179.9	-64.3	167.8	0	0	0	111.2	S304 E309 N310	S304-I306 VanDerWaalsContact C-N 3.27Å; S304-I306 PolarHBondContact O-N 2.91Å; I306-E309 PolarHBondContact O-N 3.29Å; I306-N310 WeakPolarHBondContact O-CB 3.49Å; I306-N310 PolarHBondContact O-N 3.48Å; I306-N310 PolarHBondContact O-ND2 2.83Å
307	E	85.4	Confident	75.6	Confident	66 Å²	66	58.1 Å²	58.1	31%	0.308	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-40.4	177.7	-70.3	168.1	135.3	0	0	111.8	V293 K297 V303 S304 P305 N310 A311	V293-E307 HydrophobicContact CG1-CB 4.18Å; K297-E307 WeakPolarHBondContact CE-OE1 3.25Å; K297-E307 IonicContact NZ-OE1 2.73Å; K297-E307 PolarHBondContact NZ-OE1 3.32Å; K297-E307 IonicContact NZ-OE2 2.83Å; K297-E307 PolarHBondContact NZ-OE2 3.43Å; V303-E307 HydrophobicContact CG2-CB 3.97Å; S304-E307 PolarHBondContact N-OE2 3.29Å; S304-E307 PolarHBondContact O-N 3.45Å; S304-E307 WeakPolarHBondContact OG-CB 3.37Å; S304-E307 VanDerWaalsContact OG-CD 3.29Å; S304-E307 WeakPolarHBondContact OG-CG 3.24Å; S304-E307 PolarHBondContact OG-N 3.01Å; S304-E307 PolarHBondContact OG-OE2 2.96Å; P305-E307 PolarHBondContact O-N 3.4Å; E307-N310 PolarHBondContact O-N 3.17Å; E307-A311 WeakPolarHBondContact O-CB 3.46Å; E307-A311 PolarHBondContact O-N 2.94Å
308	L	88.9	Confident	73.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-42.7	175.5	-176.8	57.4	0	0	0	111.3	L5 F8 L63 V269 F286 A289 A290 V303 S304 P305 A311 V312	L5-L308 HydrophobicContact CD2-CB 4.3Å; L5-L308 HydrophobicContact CD2-CD2 3.89Å; L5-L308 HydrophobicContact CD2-CG 3.81Å; F8-L308 HydrophobicContact CE2-CD2 4.1Å; F8-L308 HydrophobicContact CZ-CD2 4.04Å; L63-L308 HydrophobicContact CD2-CD2 3.87Å; V269-L308 HydrophobicContact CG1-CD2 4.45Å; F286-L308 HydrophobicContact CB-CD1 4.44Å; F286-L308 HydrophobicContact CB-CD2 4.35Å; F286-L308 HydrophobicContact CD1-CD1 4.35Å; F286-L308 HydrophobicContact CD1-CD2 4.14Å; F286-L308 HydrophobicContact CD1-CG 4.23Å; F286-L308 WeakPolarHBondContact O-CD1 3.35Å; A289-L308 HydrophobicContact CB-CD1 3.85Å; A290-L308 HydrophobicContact CB-CD1 4.07Å; V303-L308 HydrophobicContact CG2-CB 3.97Å; S304-L308 PolarHBondContact O-N 2.94Å; P305-L308 PolarHBondContact O-N 2.96Å; L308-A311 PolarHBondContact O-N 3.41Å; L308-V312 HydrophobicContact CD1-CG2 4.33Å; L308-V312 WeakPolarHBondContact O-CB 3.39Å; L308-V312 VanDerWaalsContact O-CG2 3.27Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 3.18Å
309	E	82.6	Confident	72.5	Confident	67 Å²	67	52.2 Å²	52.2	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-48	174.8	-172.4	169.5	-169.5	0	0	111.2	L5 P305 I306 A311 V312 R313	L5-E309 HydrophobicContact CD1-CB 3.7Å; L5-E309 HydrophobicContact CD1-CG 4.37Å; L5-E309 HydrophobicContact CG-CB 4.16Å; P305-E309 WeakPolarHBondContact O-CB 3.46Å; P305-E309 PolarHBondContact O-N 3.1Å; I306-E309 PolarHBondContact O-N 3.29Å; E309-A311 PolarHBondContact O-N 2.89Å; E309-V312 PolarHBondContact O-N 2.76Å; E309-R313 HydrophobicContact CG-CG 4.37Å; E309-R313 WeakPolarHBondContact O-CB 3.18Å; E309-R313 VanDerWaalsContact O-CG 3.29Å; E309-R313 WeakPolarHBondContact O-CG 3.38Å; E309-R313 PolarHBondContact O-N 2.88Å; E309-R313 IonicContact OE1-CZ 3.55Å; E309-R313 VanDerWaalsContact OE1-CZ 3.25Å; E309-R313 IonicContact OE1-NE 2.7Å; E309-R313 PolarHBondContact OE1-NE 2.82Å; E309-R313 VanDerWaalsContact OE1-NE 3.1Å; E309-R313 IonicContact OE1-NH2 3.55Å; E309-R313 PolarHBondContact OE1-NH2 2.82Å
310	N	76.3	Confident	71.4	Confident	96 Å²	96	54.3 Å²	54.3	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-43.4	178.7	-72.5	-21	0	0	0	111.7	I306 E307 V312 R313 G314	I306-N310 WeakPolarHBondContact O-CB 3.49Å; I306-N310 PolarHBondContact O-N 3.48Å; I306-N310 PolarHBondContact O-ND2 2.83Å; E307-N310 PolarHBondContact O-N 3.17Å; N310-V312 VanDerWaalsContact C-N 3.34Å; N310-V312 PolarHBondContact O-N 3.47Å; N310-R313 PolarHBondContact O-N 2.98Å; N310-G314 PolarHBondContact O-N 2.86Å
311	A	83	Confident	71.1	Confident	25 Å²	25	54 Å²	54	21%	0.207	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-41.2	176.9	0	0	0	0	0	111.9	A289 V293 E307 L308 E309 R315	A289-A311 HydrophobicContact CB-CB 4.09Å; V293-A311 HydrophobicContact CG2-CB 3.5Å; V293-A311 VanDerWaalsContact CG2-CB 3.5Å; E307-A311 WeakPolarHBondContact O-CB 3.46Å; E307-A311 PolarHBondContact O-N 2.94Å; L308-A311 PolarHBondContact O-N 3.41Å; E309-A311 PolarHBondContact O-N 2.89Å; A311-R315 PolarHBondContact O-N 2.62Å
312	V	80.5	Confident	71.1	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-67.5	-40.1	176	166.1	0	0	0	0	112	V3 F285 F286 A289 L308 E309 N310 R315	V3-V312 HydrophobicContact CB-CG1 3.74Å; V3-V312 HydrophobicContact CG1-CG1 3.75Å; F285-V312 HydrophobicContact CD1-CG2 4.5Å; F285-V312 HydrophobicContact CE1-CB 4.4Å; F285-V312 HydrophobicContact CE1-CG1 3.81Å; F285-V312 HydrophobicContact CE1-CG2 3.93Å; F285-V312 HydrophobicContact CZ-CG1 4.41Å; F286-V312 HydrophobicContact CD1-CG2 3.81Å; F286-V312 HydrophobicContact CE1-CG2 4.03Å; A289-V312 HydrophobicContact CB-CG2 3.94Å; L308-V312 HydrophobicContact CD1-CG2 4.33Å; L308-V312 WeakPolarHBondContact O-CB 3.39Å; L308-V312 VanDerWaalsContact O-CG2 3.27Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 3.18Å; E309-V312 PolarHBondContact O-N 2.76Å; N310-V312 VanDerWaalsContact C-N 3.34Å; N310-V312 PolarHBondContact O-N 3.47Å; V312-R315 WeakPolarHBondContact O-CB 3.47Å; V312-R315 PolarHBondContact O-N 2.96Å
313	R	69.5	Low	70.7	Confident	155 Å²	155	55 Å²	55	59%	0.585	31%	0.312	S	S	*	.	H	α-helix	trans	-68.9	-39.3	177.3	-74.2	177.2	178.7	-139.5	6.9	112.3	E309 N310 R315	E309-R313 HydrophobicContact CG-CG 4.37Å; E309-R313 WeakPolarHBondContact O-CB 3.18Å; E309-R313 VanDerWaalsContact O-CG 3.29Å; E309-R313 WeakPolarHBondContact O-CG 3.38Å; E309-R313 PolarHBondContact O-N 2.88Å; E309-R313 IonicContact OE1-CZ 3.55Å; E309-R313 VanDerWaalsContact OE1-CZ 3.25Å; E309-R313 IonicContact OE1-NE 2.7Å; E309-R313 PolarHBondContact OE1-NE 2.82Å; E309-R313 VanDerWaalsContact OE1-NE 3.1Å; E309-R313 IonicContact OE1-NH2 3.55Å; E309-R313 PolarHBondContact OE1-NH2 2.82Å; N310-R313 PolarHBondContact O-N 2.98Å; R313-R315 PolarHBondContact O-N 2.82Å
314	G	60.1	Low	70.5	Confident	66 Å²	66	58.7 Å²	58.7	68%	0.68	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.2	176.9	0	0	0	0	0	114	N310 A316	N310-G314 PolarHBondContact O-N 2.86Å; G314-A316 PolarHBondContact O-N 2.8Å
315	R	53.7	Low	70.8	Confident	40 Å²	40	58.8 Å²	58.8	15%	0.151	33%	0.331	C	S	.	.			trans	-79.1	35.4	-174.7	-147	-179.2	177.7	161.1	-3.7	114	Q252 F285 N288 A311 V312 R313 D317 T318	Q252-R315 HydrophobicContact CG-CG 4.18Å; Q252-R315 VanDerWaalsContact NE2-NE 3.16Å; Q252-R315 VanDerWaalsContact NE2-NH1 3.16Å; F285-R315 VanDerWaalsContact CD2-NH1 3.28Å; F285-R315 VanDerWaalsContact CD2-NH2 3.35Å; F285-R315 VanDerWaalsContact CE2-NE 3.29Å; F285-R315 VanDerWaalsContact CE2-NH1 3.27Å; F285-R315 PolarHBondContact O-NH1 2.61Å; F285-R315 PolarHBondContact O-NH2 3.35Å; N288-R315 PolarHBondContact ND2-NH2 3.2Å; A311-R315 PolarHBondContact O-N 2.62Å; V312-R315 WeakPolarHBondContact O-CB 3.47Å; V312-R315 PolarHBondContact O-N 2.96Å; R313-R315 PolarHBondContact O-N 2.82Å; R315-D317 PolarHBondContact O-N 3.24Å; R315-T318 PolarHBondContact O-N 2.94Å; R315-T318 VanDerWaalsContact O-N 3.13Å; R315-T318 PolarHBondContact O-OG1 2.99Å
316	A	42.4	Very low	70.8	Confident	28 Å²	28	62.2 Å²	62.2	23%	0.231	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-76.3	34	-157.3	0	0	0	0	0	117.7	G314 T318 G319 F320	G314-A316 PolarHBondContact O-N 2.8Å; A316-T318 PolarHBondContact O-N 3.03Å; A316-G319 PolarHBondContact O-N 3.34Å; A316-F320 HydrophobicContact CB-CB 3.48Å; A316-F320 VanDerWaalsContact CB-CB 3.48Å; A316-F320 HydrophobicContact CB-CD2 4.41Å; A316-F320 HydrophobicContact CB-CG 4.44Å; A316-F320 WeakPolarHBondContact CB-O 3.34Å; A316-F320 PolarHBondContact O-N 3.5Å
317	D	43	Very low	71	Confident	177 Å²	177	61.5 Å²	61.5	95%	0.947	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-67.5	-5.9	140.4	-82.6	-18.9	0	0	0	111.7	R315 G319	R315-D317 PolarHBondContact O-N 3.24Å; D317-G319 PolarHBondContact O-N 2.87Å
318	T	45.3	Very low	71.2	Confident	52 Å²	52	58.3 Å²	58.3	32%	0.319	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-73.5	9.7	164.6	56.2	0	0	0	0	113.9	F285 R315 A316	F285-T318 HydrophobicContact CZ-CG2 4.29Å; R315-T318 PolarHBondContact O-N 2.94Å; R315-T318 VanDerWaalsContact O-N 3.13Å; R315-T318 PolarHBondContact O-OG1 2.99Å; A316-T318 PolarHBondContact O-N 3.03Å
319	G	46.2	Very low	71.3	Confident	16 Å²	16	61.5 Å²	61.5	17%	0.165	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	60.9	178.9	0	0	0	0	0	110.7	A316 D317 W408	A316-G319 PolarHBondContact O-N 3.34Å; D317-G319 PolarHBondContact O-N 2.87Å; G319-W408 PolarHBondContact O-NE1 3.34Å
320	F	51.1	Low	71.3	Confident	52 Å²	52	64.3 Å²	64.3	23%	0.228	35%	0.353	C	S	.	.			trans	-141.5	162.6	161.6	-56.8	-79	0	0	0	109.8	A316 R369 D407 W408	A316-F320 HydrophobicContact CB-CB 3.48Å; A316-F320 VanDerWaalsContact CB-CB 3.48Å; A316-F320 HydrophobicContact CB-CD2 4.41Å; A316-F320 HydrophobicContact CB-CG 4.44Å; A316-F320 WeakPolarHBondContact CB-O 3.34Å; A316-F320 PolarHBondContact O-N 3.5Å; F320-R369 VanDerWaalsContact CE1-CZ 3.4Å; F320-D407 CarbonylContact C-O 3.57Å; F320-D407 WeakPolarHBondContact CA-O 3.34Å; F320-D407 WeakPolarHBondContact CB-O 3.37Å; F320-D407 HydrophobicContact CD1-CB 3.69Å; F320-D407 HydrophobicContact CE1-CB 3.97Å; F320-D407 VanDerWaalsContact CE1-OD1 3.22Å; F320-D407 WeakPolarHBondContact CE1-OD1 3.48Å; F320-W408 AromaticContact CD1-NE1 3.72Å; F320-W408 HydrophobicContact CE1-CZ2 4.39Å
321	G	72.1	Confident	71.3	Confident	14 Å²	14	60.3 Å²	60.3	14%	0.144	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.2	-149.4	179.3	0	0	0	0	0	114.2	D407 W408 V409	G321-D407 PolarHBondContact N-O 2.93Å; G321-W408 CarbonylContact O-C 3.52Å; G321-W408 WeakPolarHBondContact O-CA 3.29Å; G321-V409 PolarHBondContact O-N 3.42Å
322	V	82.4	Confident	71.6	Confident	78 Å²	78	59.2 Å²	59.2	47%	0.473	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.9	-175	174.1	0	0	0	0	110.6	M397 V409	V322-M397 HydrophobicContact CB-CE 4.48Å; V322-M397 HydrophobicContact CG1-CE 3.58Å; V322-M397 HydrophobicContact CG1-SD 4.38Å; V322-M397 HydrophobicContact CG2-CB 3.79Å; V322-M397 HydrophobicContact CG2-CE 4.48Å; V322-V409 CarbonylContact C-O 3.56Å; V322-V409 WeakPolarHBondContact CA-O 3.48Å; V322-V409 HydrophobicContact CG2-CB 4.39Å
323	M	80.9	Confident	71.9	Confident	15 Å²	15	61 Å²	61	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.6	-176.4	-64.8	-175.1	169.9	0	0	112.3	E327 L328 A331 W408 V409	M323-E327 HydrophobicContact CB-CB 4.22Å; M323-L328 HydrophobicContact CB-CB 4.35Å; M323-L328 HydrophobicContact SD-CB 4.27Å; M323-L328 HydrophobicContact SD-CD1 4Å; M323-A331 HydrophobicContact CE-CB 4.11Å; M323-A331 HydrophobicContact SD-CB 4.09Å; M323-W408 HydrophobicContact CE-CG 4.04Å; M323-W408 HydrophobicContact SD-CB 4.18Å; M323-W408 VanDerWaalsContact SD-CD1 3.52Å; M323-W408 HydrophobicContact SD-CG 3.83Å; M323-V409 PolarHBondContact N-O 3.25Å
324	T	87.4	Confident	72.1	Confident	77 Å²	77	55.5 Å²	55.5	47%	0.472	33%	0.327	S	S	.	.			trans	-70.8	161.6	158.1	65.9	0	0	0	0	110.8	E326 E327 L328	T324-E326 VanDerWaalsContact C-N 3.27Å; T324-E326 PolarHBondContact O-N 3.19Å; T324-E327 WeakPolarHBondContact CB-OE2 3.45Å; T324-E327 WeakPolarHBondContact CG2-OE2 3.4Å; T324-E327 PolarHBondContact N-OE2 2.97Å; T324-E327 PolarHBondContact O-N 3.34Å; T324-E327 WeakPolarHBondContact OG1-CB 3.38Å; T324-E327 VanDerWaalsContact OG1-CG 3.24Å; T324-E327 WeakPolarHBondContact OG1-CG 3.36Å; T324-E327 PolarHBondContact OG1-N 3.39Å; T324-E327 PolarHBondContact OG1-OE2 3.46Å; T324-L328 WeakPolarHBondContact O-CB 3.45Å; T324-L328 PolarHBondContact O-N 2.91Å
325	E	91.6	Very high	72.9	Confident	40 Å²	40	52.3 Å²	52.3	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-37.2	177.2	-178.6	177.8	148.2	0	0	112.7	L328 K329 R419 L420	E325-L328 PolarHBondContact O-N 3.21Å; E325-K329 WeakPolarHBondContact O-CG 3.42Å; E325-K329 PolarHBondContact O-N 3.2Å; E325-K329 VanDerWaalsContact OE1-CE 3.29Å; E325-K329 WeakPolarHBondContact OE1-CE 3.31Å; E325-K329 IonicContact OE1-NZ 2.83Å; E325-K329 PolarHBondContact OE1-NZ 3.34Å; E325-R419 IonicContact OE1-CZ 2.73Å; E325-R419 IonicContact OE1-NH1 3.72Å; E325-R419 PolarHBondContact OE1-NH1 2.8Å; E325-R419 IonicContact OE2-CZ 3.65Å; E325-R419 IonicContact OE2-NH1 3.3Å; E325-R419 PolarHBondContact OE2-NH1 2.85Å; E325-R419 IonicContact OE2-NH2 3.77Å; E325-R419 PolarHBondContact OE2-NH2 3.42Å; E325-L420 HydrophobicContact CB-CD1 4.4Å; E325-L420 HydrophobicContact CG-CD1 3.68Å
326	E	86.6	Confident	74.4	Confident	116 Å²	116	54.6 Å²	54.6	54%	0.542	30%	0.303	S	S	.	.	H	α-helix	trans	-71.2	-41.8	-180	-66.4	-56	124.7	0	0	111.9	T324 L328 K329 L330	T324-E326 VanDerWaalsContact C-N 3.27Å; T324-E326 PolarHBondContact O-N 3.19Å; E326-L328 VanDerWaalsContact C-N 3.31Å; E326-L328 PolarHBondContact O-N 3.32Å; E326-K329 PolarHBondContact O-N 2.89Å; E326-K329 IonicContact OE1-NZ 3.25Å; E326-K329 PolarHBondContact OE1-NZ 3.03Å; E326-L330 WeakPolarHBondContact O-CG 3.43Å; E326-L330 PolarHBondContact O-N 3.06Å; E326-L330 VanDerWaalsContact O-N 3.15Å
327	E	82.6	Confident	76	Confident	101 Å²	101	62.5 Å²	62.5	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-41.9	172.4	-72.7	158.8	166.5	0	0	111.3	M323 T324 K329 L330 A331	M323-E327 HydrophobicContact CB-CB 4.22Å; T324-E327 WeakPolarHBondContact CB-OE2 3.45Å; T324-E327 WeakPolarHBondContact CG2-OE2 3.4Å; T324-E327 PolarHBondContact N-OE2 2.97Å; T324-E327 PolarHBondContact O-N 3.34Å; T324-E327 WeakPolarHBondContact OG1-CB 3.38Å; T324-E327 VanDerWaalsContact OG1-CG 3.24Å; T324-E327 WeakPolarHBondContact OG1-CG 3.36Å; T324-E327 PolarHBondContact OG1-N 3.39Å; T324-E327 PolarHBondContact OG1-OE2 3.46Å; E327-K329 PolarHBondContact O-N 2.89Å; E327-L330 PolarHBondContact O-N 3.06Å; E327-A331 WeakPolarHBondContact O-CB 3.34Å; E327-A331 PolarHBondContact O-N 2.98Å
328	L	89.5	Confident	77.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-43.4	177.6	-178.8	63.2	0	0	0	111.8	M323 T324 E325 E326 L330 A331 V332 I371 W408 V410 I424	M323-L328 HydrophobicContact CB-CB 4.35Å; M323-L328 HydrophobicContact SD-CB 4.27Å; M323-L328 HydrophobicContact SD-CD1 4Å; T324-L328 WeakPolarHBondContact O-CB 3.45Å; T324-L328 PolarHBondContact O-N 2.91Å; E325-L328 PolarHBondContact O-N 3.21Å; E326-L328 VanDerWaalsContact C-N 3.31Å; E326-L328 PolarHBondContact O-N 3.32Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 3.02Å; L328-A331 PolarHBondContact O-N 3.34Å; L328-V332 HydrophobicContact CD1-CG2 3.93Å; L328-V332 HydrophobicContact CG-CG2 4.2Å; L328-V332 WeakPolarHBondContact O-CB 3.48Å; L328-V332 VanDerWaalsContact O-CG2 3.26Å; L328-V332 WeakPolarHBondContact O-CG2 3.35Å; L328-V332 PolarHBondContact O-N 2.91Å; L328-I371 HydrophobicContact CD1-CD1 4.04Å; L328-I371 HydrophobicContact CD1-CG1 4.11Å; L328-I371 HydrophobicContact CD2-CD1 4.41Å; L328-I371 HydrophobicContact CD2-CG2 4.05Å; L328-W408 HydrophobicContact CD1-CB 3.7Å; L328-W408 HydrophobicContact CD1-CD2 3.87Å; L328-W408 HydrophobicContact CD1-CE3 3.71Å; L328-W408 HydrophobicContact CD1-CG 3.82Å; L328-V410 HydrophobicContact CD2-CB 3.83Å; L328-V410 HydrophobicContact CD2-CG1 3.58Å; L328-V410 HydrophobicContact CD2-CG2 4.11Å; L328-I424 HydrophobicContact CB-CD1 4.38Å; L328-I424 HydrophobicContact CD2-CD1 3.84Å; L328-I424 HydrophobicContact CD2-CG1 4.03Å; L328-I424 HydrophobicContact CG-CD1 3.79Å; L328-I424 HydrophobicContact CG-CG1 4.47Å
329	K	90.8	Very high	79.4	Confident	66 Å²	66	59.8 Å²	59.8	29%	0.287	32%	0.323	S	S	.	.	H	α-helix	trans	-57.7	-43.5	175.6	-76.2	169.7	-172	158.8	0	111.4	E325 E326 E327 A333 I424	E325-K329 WeakPolarHBondContact O-CG 3.42Å; E325-K329 PolarHBondContact O-N 3.2Å; E325-K329 VanDerWaalsContact OE1-CE 3.29Å; E325-K329 WeakPolarHBondContact OE1-CE 3.31Å; E325-K329 IonicContact OE1-NZ 2.83Å; E325-K329 PolarHBondContact OE1-NZ 3.34Å; E326-K329 PolarHBondContact O-N 2.89Å; E326-K329 IonicContact OE1-NZ 3.25Å; E326-K329 PolarHBondContact OE1-NZ 3.03Å; E327-K329 PolarHBondContact O-N 2.89Å; K329-A333 VanDerWaalsContact O-CB 3.3Å; K329-A333 WeakPolarHBondContact O-CB 3.43Å; K329-A333 PolarHBondContact O-N 2.85Å; K329-I424 HydrophobicContact CB-CD1 4.44Å; K329-I424 HydrophobicContact CG-CD1 3.63Å
330	L	81.6	Confident	81.2	Confident	127 Å²	127	59.3 Å²	59.3	67%	0.665	32%	0.316	S	S	*	.	H	α-helix	trans	-65.4	-44.1	176.8	-66.6	172.6	0	0	0	111.7	E326 E327 L328 A333 A334	E326-L330 WeakPolarHBondContact O-CG 3.43Å; E326-L330 PolarHBondContact O-N 3.06Å; E326-L330 VanDerWaalsContact O-N 3.15Å; E327-L330 PolarHBondContact O-N 3.06Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 3.02Å; L330-A333 PolarHBondContact O-N 2.78Å; L330-A334 WeakPolarHBondContact O-CB 3.26Å; L330-A334 PolarHBondContact O-N 3.19Å
331	A	78.2	Confident	83.1	Confident	12 Å²	12	60.4 Å²	60.4	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-45.3	178.5	0	0	0	0	0	112	M323 E327 L328 A334 A335 W408	M323-A331 HydrophobicContact CE-CB 4.11Å; M323-A331 HydrophobicContact SD-CB 4.09Å; E327-A331 WeakPolarHBondContact O-CB 3.34Å; E327-A331 PolarHBondContact O-N 2.98Å; L328-A331 PolarHBondContact O-N 3.34Å; A331-A334 PolarHBondContact O-N 3Å; A331-A335 WeakPolarHBondContact O-CB 3.47Å; A331-A335 PolarHBondContact O-N 2.76Å; A331-W408 HydrophobicContact CB-CZ2 4.12Å
332	V	89	Confident	84.2	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-45.4	177.1	170.4	0	0	0	0	111.2	L328 A334 A335 R336 V342 I371 W408 I424	L328-V332 HydrophobicContact CD1-CG2 3.93Å; L328-V332 HydrophobicContact CG-CG2 4.2Å; L328-V332 WeakPolarHBondContact O-CB 3.48Å; L328-V332 VanDerWaalsContact O-CG2 3.26Å; L328-V332 WeakPolarHBondContact O-CG2 3.35Å; L328-V332 PolarHBondContact O-N 2.91Å; V332-A334 VanDerWaalsContact C-N 3.27Å; V332-A334 PolarHBondContact O-N 2.66Å; V332-A335 PolarHBondContact O-N 2.92Å; V332-R336 PolarHBondContact O-N 2.81Å; V332-V342 HydrophobicContact CG1-CG2 4.43Å; V332-V342 HydrophobicContact CG2-CG1 4.39Å; V332-I371 HydrophobicContact CG2-CD1 3.76Å; V332-W408 HydrophobicContact CG2-CE3 3.92Å; V332-W408 HydrophobicContact CG2-CZ3 3.66Å; V332-I424 HydrophobicContact CG1-CG2 4.19Å; V332-I424 HydrophobicContact CG2-CG2 3.96Å
333	A	86.2	Confident	84.9	Confident	48 Å²	48	56 Å²	56	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-39.7	175.9	0	0	0	0	0	111.6	K329 L330 K337	K329-A333 VanDerWaalsContact O-CB 3.3Å; K329-A333 WeakPolarHBondContact O-CB 3.43Å; K329-A333 PolarHBondContact O-N 2.85Å; L330-A333 PolarHBondContact O-N 2.78Å; A333-K337 WeakPolarHBondContact O-CG 3.3Å; A333-K337 PolarHBondContact O-N 3.24Å; A333-K337 VanDerWaalsContact O-N 3.15Å
334	A	73.2	Confident	85.7	Confident	38 Å²	38	55.3 Å²	55.3	31%	0.314	29%	0.288	S	S	.	.	H	α-helix	trans	-67.7	-38.2	175.6	0	0	0	0	0	112.3	L330 A331 V332 K337 R338	L330-A334 WeakPolarHBondContact O-CB 3.26Å; L330-A334 PolarHBondContact O-N 3.19Å; A331-A334 PolarHBondContact O-N 3Å; V332-A334 VanDerWaalsContact C-N 3.27Å; V332-A334 PolarHBondContact O-N 2.66Å; A334-K337 PolarHBondContact O-N 2.86Å; A334-R338 VanDerWaalsContact C-NH1 3.29Å; A334-R338 WeakPolarHBondContact O-CG 3.44Å; A334-R338 PolarHBondContact O-N 3.48Å; A334-R338 PolarHBondContact O-NH1 2.82Å; A334-R338 VanDerWaalsContact O-NH1 3.13Å
335	A	77.8	Confident	86.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-44.9	176.5	0	0	0	0	0	112.5	A331 V332 K337 R338 G339 E340 V342 R369 W408	A331-A335 WeakPolarHBondContact O-CB 3.47Å; A331-A335 PolarHBondContact O-N 2.76Å; V332-A335 PolarHBondContact O-N 2.92Å; A335-K337 VanDerWaalsContact C-N 3.33Å; A335-K337 PolarHBondContact O-N 2.62Å; A335-R338 VanDerWaalsContact CA-NH2 3.27Å; A335-R338 CarbonylContact O-C 3.56Å; A335-R338 WeakPolarHBondContact O-CA 3.45Å; A335-R338 WeakPolarHBondContact O-CB 3.25Å; A335-R338 PolarHBondContact O-N 2.94Å; A335-G339 PolarHBondContact O-N 2.85Å; A335-E340 HydrophobicContact CB-CB 4.08Å; A335-E340 VanDerWaalsContact CB-OE2 3.28Å; A335-E340 WeakPolarHBondContact CB-OE2 3.44Å; A335-E340 WeakPolarHBondContact O-CB 3.44Å; A335-E340 PolarHBondContact O-N 3.28Å; A335-V342 HydrophobicContact CB-CG2 4.25Å; A335-R369 HydrophobicContact CB-CG 4.48Å; A335-W408 HydrophobicContact CB-CH2 3.66Å; A335-W408 HydrophobicContact CB-CZ3 4.49Å
336	R	85.4	Confident	86.3	Confident	87 Å²	87	50.6 Å²	50.6	33%	0.328	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-40.5	174.1	-72.8	-173.6	179.8	132.9	20.8	112.8	V332 R338 G339 I424 L425	V332-R336 PolarHBondContact O-N 2.81Å; R336-R338 PolarHBondContact O-N 3.38Å; R336-R338 VanDerWaalsContact O-N 3.17Å; R336-G339 PolarHBondContact O-N 3.21Å; R336-I424 PolarHBondContact NH1-O 3.46Å; R336-I424 PolarHBondContact NH2-O 3.28Å; R336-L425 VanDerWaalsContact NH2-C 3.26Å; R336-L425 PolarHBondContact NH2-O 2.99Å
337	K	74.5	Confident	86.6	Confident	195 Å²	195	45.6 Å²	45.6	85%	0.848	24%	0.241	S	C	*	.	H	α-helix	trans	-60.3	-23.7	173.7	-76.4	-179.7	-178.8	-178.1	0	113.1	A333 A334 A335	A333-K337 WeakPolarHBondContact O-CG 3.3Å; A333-K337 PolarHBondContact O-N 3.24Å; A333-K337 VanDerWaalsContact O-N 3.15Å; A334-K337 PolarHBondContact O-N 2.86Å; A335-K337 VanDerWaalsContact C-N 3.33Å; A335-K337 PolarHBondContact O-N 2.62Å
338	R	76.4	Confident	87.1	Confident	107 Å²	107	42 Å²	42	40%	0.404	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1.7	174.2	-64.2	-175.9	-59.6	-92.3	3.6	113.5	A334 A335 R336 E340	A334-R338 VanDerWaalsContact C-NH1 3.29Å; A334-R338 WeakPolarHBondContact O-CG 3.44Å; A334-R338 PolarHBondContact O-N 3.48Å; A334-R338 PolarHBondContact O-NH1 2.82Å; A334-R338 VanDerWaalsContact O-NH1 3.13Å; A335-R338 VanDerWaalsContact CA-NH2 3.27Å; A335-R338 CarbonylContact O-C 3.56Å; A335-R338 WeakPolarHBondContact O-CA 3.45Å; A335-R338 WeakPolarHBondContact O-CB 3.25Å; A335-R338 PolarHBondContact O-N 2.94Å; R336-R338 PolarHBondContact O-N 3.38Å; R336-R338 VanDerWaalsContact O-N 3.17Å; R338-E340 VanDerWaalsContact C-N 3.28Å; R338-E340 HydrophobicContact CB-CG 4.15Å; R338-E340 IonicContact CZ-OE1 2.79Å; R338-E340 IonicContact CZ-OE2 2.71Å; R338-E340 IonicContact NE-OE1 2.8Å; R338-E340 PolarHBondContact NE-OE1 3.18Å; R338-E340 IonicContact NE-OE2 3Å; R338-E340 PolarHBondContact NE-OE2 2.91Å; R338-E340 IonicContact NH2-OE1 3.73Å; R338-E340 IonicContact NH2-OE2 3.37Å; R338-E340 PolarHBondContact NH2-OE2 3.44Å; R338-E340 PolarHBondContact O-N 2.94Å
339	G	83.3	Confident	87.2	Confident	65 Å²	65	42.6 Å²	42.6	67%	0.67	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	19.4	-175	0	0	0	0	0	114.2	A335 R336	A335-G339 PolarHBondContact O-N 2.85Å; R336-G339 PolarHBondContact O-N 3.21Å
340	E	83.9	Confident	87.2	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.028	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-79	132.9	177.6	-68.3	172	-173.9	0	0	110.7	K2 A335 R338 D368 R369	K2-E340 WeakPolarHBondContact CE-OE1 3.45Å; K2-E340 IonicContact NZ-OE1 2.67Å; K2-E340 PolarHBondContact NZ-OE1 3.42Å; A335-E340 HydrophobicContact CB-CB 4.08Å; A335-E340 VanDerWaalsContact CB-OE2 3.28Å; A335-E340 WeakPolarHBondContact CB-OE2 3.44Å; A335-E340 WeakPolarHBondContact O-CB 3.44Å; A335-E340 PolarHBondContact O-N 3.28Å; R338-E340 VanDerWaalsContact C-N 3.28Å; R338-E340 HydrophobicContact CB-CG 4.15Å; R338-E340 IonicContact CZ-OE1 2.79Å; R338-E340 IonicContact CZ-OE2 2.71Å; R338-E340 IonicContact NE-OE1 2.8Å; R338-E340 PolarHBondContact NE-OE1 3.18Å; R338-E340 IonicContact NE-OE2 3Å; R338-E340 PolarHBondContact NE-OE2 2.91Å; R338-E340 IonicContact NH2-OE1 3.73Å; R338-E340 IonicContact NH2-OE2 3.37Å; R338-E340 PolarHBondContact NH2-OE2 3.44Å; R338-E340 PolarHBondContact O-N 2.94Å; E340-D368 WeakPolarHBondContact CA-OD2 3.22Å; E340-D368 HydrophobicContact CB-CB 3.82Å; E340-D368 HydrophobicContact CG-CB 4.07Å; E340-R369 HydrophobicContact CB-CG 4.42Å; E340-R369 IonicContact OE1-CZ 3.9Å; E340-R369 IonicContact OE1-NE 2.82Å; E340-R369 IonicContact OE1-NH2 3.78Å; E340-R369 PolarHBondContact OE1-NH2 3.32Å; E340-R369 IonicContact OE2-CZ 3.2Å; E340-R369 IonicContact OE2-NE 2.71Å; E340-R369 PolarHBondContact OE2-NE 3.48Å; E340-R369 IonicContact OE2-NH2 3.1Å; E340-R369 PolarHBondContact OE2-NH2 3.39Å
341	K	92.4	Very high	87.5	Confident	75 Å²	75	35.8 Å²	35.8	33%	0.326	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-81.9	121.9	175.3	-160.8	179.7	-162.1	-157.6	0	110.4	D368 R369 D427 L428 E452	K341-D368 PolarHBondContact N-OD2 2.97Å; K341-D368 PolarHBondContact O-N 3.37Å; K341-R369 PolarHBondContact O-N 3.22Å; K341-D427 HydrophobicContact CG-CB 3.79Å; K341-L428 HydrophobicContact CD-CD1 3.49Å; K341-L428 VanDerWaalsContact CD-CD1 3.49Å; K341-L428 HydrophobicContact CG-CD1 3.61Å; K341-E452 IonicContact NZ-OE1 3.76Å
342	V	95.2	Very high	88	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.1	-175.3	-177.8	0	0	0	0	110.9	V332 A335 R369 I371 W408 D427 L428	V332-V342 HydrophobicContact CG1-CG2 4.43Å; V332-V342 HydrophobicContact CG2-CG1 4.39Å; A335-V342 HydrophobicContact CB-CG2 4.25Å; V342-R369 HydrophobicContact CG2-CB 4.44Å; V342-I371 HydrophobicContact CG1-CD1 3.48Å; V342-I371 VanDerWaalsContact CG1-CD1 3.48Å; V342-I371 HydrophobicContact CG1-CG1 4.1Å; V342-W408 HydrophobicContact CG1-CZ3 4.12Å; V342-W408 HydrophobicContact CG2-CZ3 4.28Å; V342-D427 WeakPolarHBondContact CB-OD2 3.48Å; V342-D427 PolarHBondContact N-OD2 3.18Å; V342-D427 PolarHBondContact O-N 3.45Å; V342-L428 PolarHBondContact O-N 3.49Å; V342-L428 VanDerWaalsContact O-N 3.09Å
343	V	97.1	Very high	87.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.7	173.4	-170.5	0	0	0	0	108.9	A363 L366 R369 L370 I371 L428 V430	V343-A363 HydrophobicContact CG1-CB 4.42Å; V343-L366 HydrophobicContact CG2-CB 4.13Å; V343-R369 WeakPolarHBondContact CB-O 3.35Å; V343-R369 PolarHBondContact N-O 2.86Å; V343-L370 HydrophobicContact CB-CD1 3.89Å; V343-L370 HydrophobicContact CG1-CD1 3.73Å; V343-L370 CarbonylContact O-C 3.46Å; V343-L370 WeakPolarHBondContact O-CA 3.28Å; V343-I371 PolarHBondContact O-N 3.28Å; V343-L428 CarbonylContact C-O 3.6Å; V343-L428 WeakPolarHBondContact CA-O 3.27Å; V343-L428 HydrophobicContact CG1-CB 4.47Å; V343-L428 HydrophobicContact CG2-CD1 4.13Å; V343-V430 HydrophobicContact CG1-CB 4.26Å; V343-V430 HydrophobicContact CG1-CG2 3.55Å
344	M	97.5	Very high	87.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.3	174.1	-173.4	169.9	-175.4	0	0	111	I371 A373 L420 I421 I424 P426 L428 V430	M344-I371 WeakPolarHBondContact CA-O 3.28Å; M344-I371 HydrophobicContact CB-CB 4.08Å; M344-I371 HydrophobicContact CE-CG2 4.1Å; M344-I371 HydrophobicContact CG-CB 3.87Å; M344-I371 HydrophobicContact CG-CG2 3.89Å; M344-I371 HydrophobicContact SD-CG2 4.28Å; M344-A373 HydrophobicContact CE-CB 3.68Å; M344-L420 HydrophobicContact CE-CD2 3.88Å; M344-L420 HydrophobicContact CE-CG 3.97Å; M344-I421 HydrophobicContact CE-CG1 3.85Å; M344-I421 HydrophobicContact SD-CG1 3.88Å; M344-I424 HydrophobicContact SD-CB 4.48Å; M344-I424 HydrophobicContact SD-CG2 4.35Å; M344-P426 HydrophobicContact CB-CB 3.6Å; M344-P426 HydrophobicContact CB-CG 3.66Å; M344-P426 HydrophobicContact CG-CG 4.43Å; M344-P426 HydrophobicContact SD-CG 4.03Å; M344-L428 PolarHBondContact N-O 3.26Å; M344-V430 PolarHBondContact O-N 2.89Å
345	T	96.5	Very high	88.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	165.2	169.1	176.9	0	0	0	0	109.3	Y359 L360 L370 I371 V372 A373 V430	T345-Y359 WeakPolarHBondContact CB-OH 3.47Å; T345-Y359 HydrophobicContact CG2-CE1 4.22Å; T345-Y359 WeakPolarHBondContact OG1-CE1 3.44Å; T345-Y359 PolarHBondContact OG1-OH 3.12Å; T345-L360 HydrophobicContact CG2-CD2 3.8Å; T345-L370 HydrophobicContact CG2-CD1 4.06Å; T345-I371 PolarHBondContact N-O 3Å; T345-V372 HydrophobicContact CG2-CB 4.49Å; T345-V372 HydrophobicContact CG2-CG2 3.9Å; T345-V372 WeakPolarHBondContact O-CA 3.41Å; T345-A373 PolarHBondContact O-N 3.3Å; T345-V430 WeakPolarHBondContact CA-O 3.21Å; T345-V430 WeakPolarHBondContact CB-O 3.37Å; T345-V430 PolarHBondContact OG1-O 3.5Å
346	N	95.1	Very high	88.8	Confident	17 Å²	17	38.6 Å²	38.6	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.6	173.5	80.8	-65	0	0	0	113.1	A373 F412 P417 K431	N346-A373 CarbonylContact C-O 3.59Å; N346-A373 WeakPolarHBondContact CA-O 3.32Å; N346-A373 HydrophobicContact CB-CB 3.81Å; N346-A373 WeakPolarHBondContact CB-O 3.45Å; N346-F412 HydrophobicContact CB-CE1 4.28Å; N346-P417 HydrophobicContact CB-CB 4.23Å; N346-P417 HydrophobicContact CB-CG 4.09Å; N346-P417 WeakPolarHBondContact ND2-CG 3.35Å; N346-K431 VanDerWaalsContact CG-NZ 3.26Å; N346-K431 PolarHBondContact ND2-NZ 3.32Å; N346-K431 PolarHBondContact O-NZ 2.9Å; N346-K431 PolarHBondContact OD1-NZ 3.35Å
347	G	93.1	Very high	89	Confident	12 Å²	12	37.9 Å²	37.9	12%	0.124	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.8	179.6	173	0	0	0	0	0	113.6	A373 V374 N375	G347-A373 PolarHBondContact N-O 2.98Å; G347-V374 WeakPolarHBondContact O-CA 3.3Å; G347-N375 VanDerWaalsContact C-OD1 3.22Å; G347-N375 PolarHBondContact O-N 3.29Å; G347-N375 VanDerWaalsContact O-N 3.17Å; G347-N375 PolarHBondContact O-OD1 3.43Å
348	V	92.8	Very high	89.6	Confident	24 Å²	24	29.8 Å²	29.8	15%	0.145	18%	0.177	C	C	.	.			trans	-76.7	-42.2	177.2	176.7	0	0	0	0	111.3	D350 N375 T380 R396	V348-D350 VanDerWaalsContact C-N 3.34Å; V348-D350 HydrophobicContact CG1-CB 3.96Å; V348-D350 PolarHBondContact O-N 3Å; V348-N375 HydrophobicContact CG2-CB 4.18Å; V348-T380 HydrophobicContact CB-CG2 4.41Å; V348-T380 HydrophobicContact CG1-CG2 3.38Å; V348-T380 HydrophobicContact CG2-CG2 4.09Å; V348-R396 PolarHBondContact O-NH1 2.77Å
349	F	92.2	Very high	90.3	Very high	13 Å²	13	25.1 Å²	25.1	6%	0.057	16%	0.159	C	C	.	.			trans	48	50	179	-63.9	-74.5	0	0	0	114.3	L352 H356 Y359 L360 V372 L400	F349-L352 HydrophobicContact CB-CD2 3.94Å; F349-L352 HydrophobicContact CD1-CD2 3.77Å; F349-L352 HydrophobicContact CG-CD2 4.33Å; F349-H356 AromaticContact CD1-CD2 3.66Å; F349-H356 AromaticContact CE1-CD2 3.64Å; F349-Y359 HydrophobicContact CZ-CE1 4.38Å; F349-L360 HydrophobicContact CE1-CD1 4.23Å; F349-L360 HydrophobicContact CE1-CD2 4.22Å; F349-L360 HydrophobicContact CE1-CG 4.38Å; F349-L360 HydrophobicContact CZ-CD2 4.05Å; F349-V372 HydrophobicContact CD2-CG1 3.78Å; F349-V372 HydrophobicContact CE2-CG1 3.43Å; F349-V372 VanDerWaalsContact CE2-CG1 3.43Å; F349-V372 HydrophobicContact CZ-CG1 4.1Å; F349-L400 HydrophobicContact CB-CD1 3.74Å; F349-L400 HydrophobicContact CB-CD2 4.07Å; F349-L400 HydrophobicContact CB-CG 4.24Å; F349-L400 HydrophobicContact CD1-CD2 4.06Å; F349-L400 HydrophobicContact CD2-CD1 4.07Å; F349-L400 HydrophobicContact CD2-CD2 4.46Å; F349-L400 HydrophobicContact CG-CD1 4.03Å; F349-L400 HydrophobicContact CG-CD2 3.96Å
350	D	90.3	Very high	90.8	Very high	7 Å²	7	22 Å²	22	4%	0.037	13%	0.127	C	C	.	.			trans	-76.1	-58.5	-173.7	-174.8	17	0	0	0	113.6	V348 R388 P389 V390 N391	V348-D350 VanDerWaalsContact C-N 3.34Å; V348-D350 HydrophobicContact CG1-CB 3.96Å; V348-D350 PolarHBondContact O-N 3Å; D350-R388 VanDerWaalsContact CB-NH2 3.27Å; D350-R388 IonicContact OD2-CZ 3.84Å; D350-R388 IonicContact OD2-NE 2.81Å; D350-R388 PolarHBondContact OD2-NE 3.12Å; D350-R388 IonicContact OD2-NH2 3.12Å; D350-R388 PolarHBondContact OD2-NH2 3.27Å; D350-P389 HydrophobicContact CB-CB 4.34Å; D350-P389 WeakPolarHBondContact OD2-CA 3.43Å; D350-V390 VanDerWaalsContact CG-N 3.25Å; D350-V390 PolarHBondContact OD1-N 3.07Å; D350-V390 PolarHBondContact OD2-N 2.76Å; D350-N391 PolarHBondContact O-ND2 3Å; D350-N391 PolarHBondContact OD1-N 2.75Å
351	I	88.5	Confident	91.1	Very high	44 Å²	44	23.3 Å²	23.3	23%	0.226	14%	0.139	C	C	.	.	S	Bend	trans	-120	109.9	172.4	-59.9	168.3	0	0	0	106.1	V390 T464 I468	I351-V390 HydrophobicContact CD1-CB 4.42Å; I351-V390 HydrophobicContact CD1-CG2 4.24Å; I351-T464 HydrophobicContact CB-CG2 3.77Å; I351-T464 HydrophobicContact CD1-CG2 4.22Å; I351-T464 HydrophobicContact CG1-CG2 4.3Å; I351-T464 PolarHBondContact O-OG1 3.02Å; I351-I468 HydrophobicContact CD1-CD1 4.2Å; I351-I468 HydrophobicContact CD1-CG1 4.15Å
352	L	87.9	Confident	91.1	Very high	44 Å²	44	22.7 Å²	22.7	23%	0.23	14%	0.139	C	C	.	.			trans	-70.6	153.8	178.6	-61.2	-173.7	0	0	0	111.3	F349 H356 V399 L400 L403	F349-L352 HydrophobicContact CB-CD2 3.94Å; F349-L352 HydrophobicContact CD1-CD2 3.77Å; F349-L352 HydrophobicContact CG-CD2 4.33Å; L352-H356 HydrophobicContact CD2-CB 4.03Å; L352-V399 HydrophobicContact CD1-CG1 3.51Å; L352-V399 HydrophobicContact CG-CG1 4.37Å; L352-L400 HydrophobicContact CD1-CD2 4.34Å; L352-L400 HydrophobicContact CD2-CD2 4.25Å; L352-L403 HydrophobicContact CD1-CD1 3.93Å
353	H	85.4	Confident	91	Very high	25 Å²	25	22.7 Å²	22.7	12%	0.116	14%	0.139	C	C	.	.			trans	-152.4	172.8	175.9	56.1	69.5	0	0	0	109	G355 H356 V357 C462 S463 T464 I467	H353-G355 VanDerWaalsContact C-N 3.28Å; H353-G355 PolarHBondContact ND1-N 2.84Å; H353-G355 PolarHBondContact O-N 3.47Å; H353-G355 VanDerWaalsContact O-N 3.16Å; H353-H356 AromaticContact CD2-CE1 3.54Å; H353-H356 AromaticContact CD2-ND1 3.34Å; H353-H356 PolarHBondContact CD2-ND1 2.85Å; H353-H356 VanDerWaalsContact CD2-ND1 3.34Å; H353-H356 AromaticContact CE1-CE1 3.75Å; H353-H356 AromaticContact CE1-ND1 3.49Å; H353-H356 PolarHBondContact CE1-ND1 3.07Å; H353-H356 AromaticContact CG-ND1 3.64Å; H353-H356 PolarHBondContact ND1-N 3.16Å; H353-H356 AromaticContact ND1-ND1 3.71Å; H353-H356 AromaticContact NE2-CE1 3.17Å; H353-H356 PolarHBondContact NE2-CE1 2.82Å; H353-H356 AromaticContact NE2-ND1 3.25Å; H353-H356 PolarHBondContact NE2-ND1 3.07Å; H353-H356 WeakPolarHBondContact O-CB 3.48Å; H353-H356 PolarHBondContact O-N 2.93Å; H353-V357 PolarHBondContact O-N 3.25Å; H353-C462 PolarHBondContact CE1-O 3.41Å; H353-S463 WeakPolarHBondContact NE2-CA 3.11Å; H353-T464 PolarHBondContact CD2-N 2.84Å; H353-T464 PolarHBondContact NE2-N 3.17Å; H353-I467 HydrophobicContact CB-CD1 3.82Å
354	A	84.7	Confident	90.7	Very high	61 Å²	61	26 Å²	26	50%	0.504	15%	0.152	S	C	.	.	H	α-helix	trans	-48.3	-46.2	-177.3	0	0	0	0	0	113.3	H356 V357 S358	A354-H356 VanDerWaalsContact C-N 3.31Å; A354-H356 PolarHBondContact O-N 2.8Å; A354-V357 WeakPolarHBondContact O-CB 3.27Å; A354-V357 PolarHBondContact O-N 2.9Å; A354-S358 PolarHBondContact O-N 2.9Å
355	G	84.8	Confident	90.5	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-56.6	-35.1	175.6	0	0	0	0	0	115.5	H353 Y359	H353-G355 VanDerWaalsContact C-N 3.28Å; H353-G355 PolarHBondContact ND1-N 2.84Å; H353-G355 PolarHBondContact O-N 3.47Å; H353-G355 VanDerWaalsContact O-N 3.16Å; G355-Y359 WeakPolarHBondContact O-CB 3.22Å; G355-Y359 PolarHBondContact O-N 2.82Å
356	H	88.9	Confident	90.3	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.125	20%	0.198	C	C	.	.	H	α-helix	trans	-69.8	-41.2	173.4	-70	116.6	0	0	0	111.5	F349 L352 H353 A354 Y359 L360	F349-H356 AromaticContact CD1-CD2 3.66Å; F349-H356 AromaticContact CE1-CD2 3.64Å; L352-H356 HydrophobicContact CD2-CB 4.03Å; H353-H356 AromaticContact CD2-CE1 3.54Å; H353-H356 AromaticContact CD2-ND1 3.34Å; H353-H356 PolarHBondContact CD2-ND1 2.85Å; H353-H356 VanDerWaalsContact CD2-ND1 3.34Å; H353-H356 AromaticContact CE1-CE1 3.75Å; H353-H356 AromaticContact CE1-ND1 3.49Å; H353-H356 PolarHBondContact CE1-ND1 3.07Å; H353-H356 AromaticContact CG-ND1 3.64Å; H353-H356 PolarHBondContact ND1-N 3.16Å; H353-H356 AromaticContact ND1-ND1 3.71Å; H353-H356 AromaticContact NE2-CE1 3.17Å; H353-H356 PolarHBondContact NE2-CE1 2.82Å; H353-H356 AromaticContact NE2-ND1 3.25Å; H353-H356 PolarHBondContact NE2-ND1 3.07Å; H353-H356 WeakPolarHBondContact O-CB 3.48Å; H353-H356 PolarHBondContact O-N 2.93Å; A354-H356 VanDerWaalsContact C-N 3.31Å; A354-H356 PolarHBondContact O-N 2.8Å; H356-Y359 PolarHBondContact O-N 3.33Å; H356-L360 WeakPolarHBondContact O-CB 3.48Å; H356-L360 VanDerWaalsContact O-CG 3.26Å; H356-L360 WeakPolarHBondContact O-CG 3.34Å; H356-L360 PolarHBondContact O-N 2.92Å
357	V	87.6	Confident	90	Very high	72 Å²	72	35.9 Å²	35.9	44%	0.436	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-48	178.8	-179.8	0	0	0	0	110.3	H353 A354 Y359 L360 A361	H353-V357 PolarHBondContact O-N 3.25Å; A354-V357 WeakPolarHBondContact O-CB 3.27Å; A354-V357 PolarHBondContact O-N 2.9Å; V357-Y359 PolarHBondContact O-N 3.31Å; V357-L360 PolarHBondContact O-N 2.93Å; V357-A361 VanDerWaalsContact O-CB 3.28Å; V357-A361 WeakPolarHBondContact O-CB 3.31Å; V357-A361 PolarHBondContact O-N 2.89Å
358	S	87.6	Confident	89.8	Confident	25 Å²	25	39 Å²	39	18%	0.175	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-44.4	176.6	-175.1	0	0	0	0	111.6	A354 A361 N362 E459	A354-S358 PolarHBondContact O-N 2.9Å; S358-A361 PolarHBondContact O-N 2.91Å; S358-N362 WeakPolarHBondContact O-CB 3.33Å; S358-N362 VanDerWaalsContact O-CG 3.28Å; S358-N362 PolarHBondContact O-N 3.4Å; S358-N362 PolarHBondContact O-ND2 2.88Å; S358-N362 VanDerWaalsContact O-ND2 3.16Å; S358-E459 VanDerWaalsContact CB-OE1 3.25Å; S358-E459 WeakPolarHBondContact CB-OE1 3.35Å; S358-E459 VanDerWaalsContact OG-CD 3.28Å; S358-E459 PolarHBondContact OG-OE1 3.04Å
359	Y	91.1	Very high	89.6	Confident	8 Å²	8	39.3 Å²	39.3	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-51.2	175.2	169.2	-107.7	0	0	0	112.7	T345 F349 G355 H356 V357 N362 A363 V430 K431 G432 L456 F458	T345-Y359 WeakPolarHBondContact CB-OH 3.47Å; T345-Y359 HydrophobicContact CG2-CE1 4.22Å; T345-Y359 WeakPolarHBondContact OG1-CE1 3.44Å; T345-Y359 PolarHBondContact OG1-OH 3.12Å; F349-Y359 HydrophobicContact CZ-CE1 4.38Å; G355-Y359 WeakPolarHBondContact O-CB 3.22Å; G355-Y359 PolarHBondContact O-N 2.82Å; H356-Y359 PolarHBondContact O-N 3.33Å; V357-Y359 PolarHBondContact O-N 3.31Å; Y359-N362 PolarHBondContact O-N 3.05Å; Y359-A363 WeakPolarHBondContact O-CB 3.46Å; Y359-A363 PolarHBondContact O-N 3.18Å; Y359-V430 HydrophobicContact CE2-CG1 4.09Å; Y359-V430 PolarHBondContact OH-O 3.05Å; Y359-V430 VanDerWaalsContact OH-O 3.08Å; Y359-K431 VanDerWaalsContact OH-CA 3.25Å; Y359-K431 WeakPolarHBondContact OH-CA 3.21Å; Y359-G432 VanDerWaalsContact CE2-N 3.25Å; Y359-G432 PolarHBondContact OH-N 2.83Å; Y359-G432 VanDerWaalsContact OH-N 3.17Å; Y359-L456 HydrophobicContact CD2-CB 4.16Å; Y359-L456 HydrophobicContact CD2-CD1 4.23Å; Y359-L456 HydrophobicContact CE2-CB 4.09Å; Y359-L456 HydrophobicContact CE2-CD1 4.12Å; Y359-F458 HydrophobicContact CD2-CE1 4.19Å; Y359-F458 HydrophobicContact CG-CE1 4.04Å
360	L	93.3	Very high	89.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-39.8	-179.9	-67.2	173.4	0	0	0	111.4	T345 F349 H356 V357 N362 A363 R364 L370 V372 L400 L403 A405 V406	T345-L360 HydrophobicContact CG2-CD2 3.8Å; F349-L360 HydrophobicContact CE1-CD1 4.23Å; F349-L360 HydrophobicContact CE1-CD2 4.22Å; F349-L360 HydrophobicContact CE1-CG 4.38Å; F349-L360 HydrophobicContact CZ-CD2 4.05Å; H356-L360 WeakPolarHBondContact O-CB 3.48Å; H356-L360 VanDerWaalsContact O-CG 3.26Å; H356-L360 WeakPolarHBondContact O-CG 3.34Å; H356-L360 PolarHBondContact O-N 2.92Å; V357-L360 PolarHBondContact O-N 2.93Å; L360-N362 VanDerWaalsContact C-N 3.35Å; L360-N362 PolarHBondContact O-N 2.9Å; L360-A363 PolarHBondContact O-N 2.97Å; L360-R364 WeakPolarHBondContact O-CB 3.33Å; L360-R364 PolarHBondContact O-N 3.48Å; L360-L370 HydrophobicContact CB-CD2 4.21Å; L360-L370 HydrophobicContact CD2-CD2 4.04Å; L360-L370 WeakPolarHBondContact O-CD2 3.45Å; L360-V372 HydrophobicContact CD2-CG2 3.73Å; L360-L400 HydrophobicContact CD1-CD2 3.95Å; L360-L403 HydrophobicContact CD1-CD1 3.6Å; L360-A405 HydrophobicContact CB-CB 4.32Å; L360-V406 HydrophobicContact CD1-CG2 4Å
361	A	90.9	Very high	90.1	Very high	34 Å²	34	38.3 Å²	38.3	28%	0.281	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-40.8	175	0	0	0	0	0	112.2	V357 S358 R364 K365 A405	V357-A361 VanDerWaalsContact O-CB 3.28Å; V357-A361 WeakPolarHBondContact O-CB 3.31Å; V357-A361 PolarHBondContact O-N 2.89Å; S358-A361 PolarHBondContact O-N 2.91Å; A361-R364 PolarHBondContact O-N 3.05Å; A361-K365 WeakPolarHBondContact O-CG 3.31Å; A361-K365 PolarHBondContact O-N 3.24Å; A361-A405 HydrophobicContact CB-CB 4.43Å
362	N	92	Very high	90.5	Very high	61 Å²	61	36.2 Å²	36.2	33%	0.326	20%	0.197	S	C	.	.	H	α-helix	trans	-71.3	-37.9	176.8	-70.7	-31.5	0	0	0	112.1	S358 Y359 L360 K365 L456	S358-N362 WeakPolarHBondContact O-CB 3.33Å; S358-N362 VanDerWaalsContact O-CG 3.28Å; S358-N362 PolarHBondContact O-N 3.4Å; S358-N362 PolarHBondContact O-ND2 2.88Å; S358-N362 VanDerWaalsContact O-ND2 3.16Å; Y359-N362 PolarHBondContact O-N 3.05Å; L360-N362 VanDerWaalsContact C-N 3.35Å; L360-N362 PolarHBondContact O-N 2.9Å; N362-K365 PolarHBondContact O-N 3.33Å; N362-K365 PolarHBondContact OD1-NZ 3.2Å; N362-L456 HydrophobicContact CB-CD1 4.09Å
363	A	93.7	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-45	172.4	0	0	0	0	0	111.2	V343 Y359 L360 K365 L366 L370 V430 L456	V343-A363 HydrophobicContact CG1-CB 4.42Å; Y359-A363 WeakPolarHBondContact O-CB 3.46Å; Y359-A363 PolarHBondContact O-N 3.18Å; L360-A363 PolarHBondContact O-N 2.97Å; A363-K365 VanDerWaalsContact C-N 3.25Å; A363-K365 PolarHBondContact O-N 3.35Å; A363-L366 WeakPolarHBondContact O-CB 3.23Å; A363-L366 PolarHBondContact O-N 3.22Å; A363-L370 HydrophobicContact CB-CD1 3.9Å; A363-L370 HydrophobicContact CB-CD2 4.26Å; A363-V430 HydrophobicContact CB-CG1 4.18Å; A363-L456 HydrophobicContact CB-CD1 4.12Å
364	R	91.7	Very high	91.5	Very high	69 Å²	69	33 Å²	33	26%	0.26	18%	0.181	S	C	.	.	H	α-helix	trans	-60.6	-31.5	179.4	-178.9	56.5	-177.6	72.4	6	113.4	L360 A361 L366 G367 D368 L370 A405 D407	L360-R364 WeakPolarHBondContact O-CB 3.33Å; L360-R364 PolarHBondContact O-N 3.48Å; A361-R364 PolarHBondContact O-N 3.05Å; R364-L366 PolarHBondContact O-N 3.3Å; R364-G367 PolarHBondContact NH1-O 3.45Å; R364-G367 PolarHBondContact O-N 3.2Å; R364-D368 VanDerWaalsContact CZ-C 3.4Å; R364-D368 PolarHBondContact NH1-O 2.9Å; R364-D368 PolarHBondContact NH2-O 2.91Å; R364-L370 HydrophobicContact CB-CB 4.26Å; R364-L370 HydrophobicContact CB-CD2 4.16Å; R364-A405 HydrophobicContact CB-CB 4.11Å; R364-A405 WeakPolarHBondContact CB-O 3.38Å; R364-A405 WeakPolarHBondContact CD-O 3.24Å; R364-A405 HydrophobicContact CG-CB 4.5Å; R364-A405 WeakPolarHBondContact CG-O 3.42Å; R364-D407 WeakPolarHBondContact CD-OD2 3.29Å; R364-D407 IonicContact CZ-OD2 3Å; R364-D407 IonicContact NE-OD2 3.9Å; R364-D407 PolarHBondContact NE-OD2 3.45Å; R364-D407 IonicContact NH2-OD2 3.1Å
365	K	91.6	Very high	92	Very high	157 Å²	157	30.3 Å²	30.3	68%	0.683	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-17	176.8	-71.6	169.6	-170.7	167.6	0	113.9	A361 N362 A363 G367	A361-K365 WeakPolarHBondContact O-CG 3.31Å; A361-K365 PolarHBondContact O-N 3.24Å; N362-K365 PolarHBondContact O-N 3.33Å; N362-K365 PolarHBondContact OD1-NZ 3.2Å; A363-K365 VanDerWaalsContact C-N 3.25Å; A363-K365 PolarHBondContact O-N 3.35Å; K365-G367 VanDerWaalsContact C-N 3.29Å
366	L	92.9	Very high	92.5	Very high	56 Å²	56	30.4 Å²	30.4	29%	0.293	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9	-179	-59.1	175.6	0	0	0	113.5	V343 A363 R364 L428 V430 L454 L456	V343-L366 HydrophobicContact CG2-CB 4.13Å; A363-L366 WeakPolarHBondContact O-CB 3.23Å; A363-L366 PolarHBondContact O-N 3.22Å; R364-L366 PolarHBondContact O-N 3.3Å; L366-L428 HydrophobicContact CB-CD2 4.05Å; L366-V430 HydrophobicContact CD1-CG2 3.72Å; L366-L454 HydrophobicContact CD1-CD1 3.8Å; L366-L456 HydrophobicContact CD1-CD1 4.4Å; L366-L456 HydrophobicContact CD1-CD2 4.24Å
367	G	89.6	Confident	92.8	Very high	13 Å²	13	31.5 Å²	31.5	13%	0.134	17%	0.165	C	C	.	.	S	Bend	trans	-159.5	-165.3	177.5	0	0	0	0	0	112.5	R364 K365	R364-G367 PolarHBondContact NH1-O 3.45Å; R364-G367 PolarHBondContact O-N 3.2Å; K365-G367 VanDerWaalsContact C-N 3.29Å
368	D	87.7	Confident	93.1	Very high	76 Å²	76	30 Å²	30	41%	0.406	16%	0.161	S	C	.	.	S	Bend	trans	-96.8	-16.7	-177	-60.8	-68.3	0	0	0	112.9	E340 K341 R364	E340-D368 WeakPolarHBondContact CA-OD2 3.22Å; E340-D368 HydrophobicContact CB-CB 3.82Å; E340-D368 HydrophobicContact CG-CB 4.07Å; K341-D368 PolarHBondContact N-OD2 2.97Å; K341-D368 PolarHBondContact O-N 3.37Å; R364-D368 VanDerWaalsContact CZ-C 3.4Å; R364-D368 PolarHBondContact NH1-O 2.9Å; R364-D368 PolarHBondContact NH2-O 2.91Å
369	R	90.1	Very high	93.4	Very high	31 Å²	31	28.9 Å²	28.9	12%	0.117	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.4	-178.7	-60	-66.2	175.2	-156.2	-0.2	110.9	F320 A335 E340 K341 V342 V343 D407 W408	F320-R369 VanDerWaalsContact CE1-CZ 3.4Å; A335-R369 HydrophobicContact CB-CG 4.48Å; E340-R369 HydrophobicContact CB-CG 4.42Å; E340-R369 IonicContact OE1-CZ 3.9Å; E340-R369 IonicContact OE1-NE 2.82Å; E340-R369 IonicContact OE1-NH2 3.78Å; E340-R369 PolarHBondContact OE1-NH2 3.32Å; E340-R369 IonicContact OE2-CZ 3.2Å; E340-R369 IonicContact OE2-NE 2.71Å; E340-R369 PolarHBondContact OE2-NE 3.48Å; E340-R369 IonicContact OE2-NH2 3.1Å; E340-R369 PolarHBondContact OE2-NH2 3.39Å; K341-R369 PolarHBondContact O-N 3.22Å; V342-R369 HydrophobicContact CG2-CB 4.44Å; V343-R369 WeakPolarHBondContact CB-O 3.35Å; V343-R369 PolarHBondContact N-O 2.86Å; R369-D407 VanDerWaalsContact CA-OD2 3.29Å; R369-D407 WeakPolarHBondContact CA-OD2 3.5Å; R369-D407 HydrophobicContact CB-CB 4.43Å; R369-D407 VanDerWaalsContact CD-OD1 3.27Å; R369-D407 WeakPolarHBondContact CD-OD1 3.25Å; R369-D407 IonicContact CZ-OD1 2.81Å; R369-D407 IonicContact NE-OD1 2.77Å; R369-D407 IonicContact NH1-OD1 3.21Å; R369-D407 PolarHBondContact NH1-OD1 3.17Å; R369-W408 HydrophobicContact CB-CE3 4.46Å; R369-W408 HydrophobicContact CB-CH2 3.79Å; R369-W408 HydrophobicContact CB-CZ2 4.45Å; R369-W408 HydrophobicContact CB-CZ3 3.8Å; R369-W408 HydrophobicContact CG-CH2 3.56Å; R369-W408 HydrophobicContact CG-CZ2 4.08Å; R369-W408 HydrophobicContact CG-CZ3 4.1Å
370	L	95.5	Very high	93.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.6	171.8	-177.1	64.4	0	0	0	112.2	V343 T345 L360 A363 R364 V372 A405 V406 D407 W408	V343-L370 HydrophobicContact CB-CD1 3.89Å; V343-L370 HydrophobicContact CG1-CD1 3.73Å; V343-L370 CarbonylContact O-C 3.46Å; V343-L370 WeakPolarHBondContact O-CA 3.28Å; T345-L370 HydrophobicContact CG2-CD1 4.06Å; L360-L370 HydrophobicContact CB-CD2 4.21Å; L360-L370 HydrophobicContact CD2-CD2 4.04Å; L360-L370 WeakPolarHBondContact O-CD2 3.45Å; A363-L370 HydrophobicContact CB-CD1 3.9Å; A363-L370 HydrophobicContact CB-CD2 4.26Å; R364-L370 HydrophobicContact CB-CB 4.26Å; R364-L370 HydrophobicContact CB-CD2 4.16Å; L370-V372 HydrophobicContact CD2-CG2 4.36Å; L370-V372 HydrophobicContact CG-CG2 4.33Å; L370-A405 WeakPolarHBondContact CB-O 3.46Å; L370-A405 WeakPolarHBondContact CD2-O 3.49Å; L370-V406 HydrophobicContact CD2-CG2 4.32Å; L370-D407 PolarHBondContact N-OD2 3.17Å; L370-D407 PolarHBondContact O-N 2.98Å; L370-W408 PolarHBondContact O-N 3.38Å
371	I	96.7	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.3	167.9	-59.9	167.6	0	0	0	109.4	L328 V332 V342 V343 M344 T345 W408 V410 I424	L328-I371 HydrophobicContact CD1-CD1 4.04Å; L328-I371 HydrophobicContact CD1-CG1 4.11Å; L328-I371 HydrophobicContact CD2-CD1 4.41Å; L328-I371 HydrophobicContact CD2-CG2 4.05Å; V332-I371 HydrophobicContact CG2-CD1 3.76Å; V342-I371 HydrophobicContact CG1-CD1 3.48Å; V342-I371 VanDerWaalsContact CG1-CD1 3.48Å; V342-I371 HydrophobicContact CG1-CG1 4.1Å; V343-I371 PolarHBondContact O-N 3.28Å; M344-I371 WeakPolarHBondContact CA-O 3.28Å; M344-I371 HydrophobicContact CB-CB 4.08Å; M344-I371 HydrophobicContact CE-CG2 4.1Å; M344-I371 HydrophobicContact CG-CB 3.87Å; M344-I371 HydrophobicContact CG-CG2 3.89Å; M344-I371 HydrophobicContact SD-CG2 4.28Å; T345-I371 PolarHBondContact N-O 3Å; I371-W408 CarbonylContact C-O 3.6Å; I371-W408 WeakPolarHBondContact CA-O 3.45Å; I371-W408 HydrophobicContact CD1-CE3 3.9Å; I371-W408 HydrophobicContact CD1-CZ3 4.39Å; I371-W408 HydrophobicContact CG1-CB 4.18Å; I371-W408 HydrophobicContact CG1-CD2 4.33Å; I371-W408 HydrophobicContact CG1-CE3 3.47Å; I371-W408 VanDerWaalsContact CG1-CE3 3.47Å; I371-W408 HydrophobicContact CG1-CZ3 4.28Å; I371-V410 HydrophobicContact CG2-CG1 4.08Å; I371-I424 HydrophobicContact CD1-CG2 3.83Å
372	V	97.1	Very high	93.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.8	167.3	-175.4	0	0	0	0	109.4	T345 F349 L360 L370 V374 L400 V406 W408 V409 V410	T345-V372 HydrophobicContact CG2-CB 4.49Å; T345-V372 HydrophobicContact CG2-CG2 3.9Å; T345-V372 WeakPolarHBondContact O-CA 3.41Å; F349-V372 HydrophobicContact CD2-CG1 3.78Å; F349-V372 HydrophobicContact CE2-CG1 3.43Å; F349-V372 VanDerWaalsContact CE2-CG1 3.43Å; F349-V372 HydrophobicContact CZ-CG1 4.1Å; L360-V372 HydrophobicContact CD2-CG2 3.73Å; L370-V372 HydrophobicContact CD2-CG2 4.36Å; L370-V372 HydrophobicContact CG-CG2 4.33Å; V372-V374 HydrophobicContact CG1-CG2 4.07Å; V372-L400 HydrophobicContact CG1-CD1 3.91Å; V372-L400 HydrophobicContact CG1-CD2 4.34Å; V372-V406 HydrophobicContact CB-CG1 4.21Å; V372-V406 HydrophobicContact CG2-CB 4.35Å; V372-V406 HydrophobicContact CG2-CG1 3.67Å; V372-V406 HydrophobicContact CG2-CG2 3.73Å; V372-W408 PolarHBondContact N-O 3.05Å; V372-V409 WeakPolarHBondContact O-CA 3.41Å; V372-V410 PolarHBondContact O-N 3.5Å; V372-V410 VanDerWaalsContact O-N 3.08Å
373	A	97.2	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.2	170.9	0	0	0	0	0	110.8	M344 T345 N346 G347 V410 F412 L420	M344-A373 HydrophobicContact CE-CB 3.68Å; T345-A373 PolarHBondContact O-N 3.3Å; N346-A373 CarbonylContact C-O 3.59Å; N346-A373 WeakPolarHBondContact CA-O 3.32Å; N346-A373 HydrophobicContact CB-CB 3.81Å; N346-A373 WeakPolarHBondContact CB-O 3.45Å; G347-A373 PolarHBondContact N-O 2.98Å; A373-V410 CarbonylContact C-O 3.56Å; A373-V410 VanDerWaalsContact CA-O 3.29Å; A373-V410 WeakPolarHBondContact CA-O 3.32Å; A373-V410 HydrophobicContact CB-CG1 4.04Å; A373-F412 HydrophobicContact CB-CD1 3.89Å; A373-F412 HydrophobicContact CB-CE1 3.93Å; A373-L420 HydrophobicContact CB-CD2 3.81Å
374	V	96	Very high	93.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.1	-170.5	-174.9	0	0	0	0	110.5	G347 V372 S376 L393 M397 L400 V409 V410 S411 F412	G347-V374 WeakPolarHBondContact O-CA 3.3Å; V372-V374 HydrophobicContact CG1-CG2 4.07Å; V374-S376 PolarHBondContact O-N 3.19Å; V374-L393 HydrophobicContact CB-CD1 4.35Å; V374-L393 HydrophobicContact CG1-CD1 3.81Å; V374-M397 HydrophobicContact CB-CG 4.46Å; V374-L400 HydrophobicContact CG2-CD1 3.31Å; V374-V409 HydrophobicContact CG2-CG1 3.61Å; V374-V410 PolarHBondContact N-O 2.91Å; V374-S411 CarbonylContact O-C 3.56Å; V374-S411 VanDerWaalsContact O-CA 3.27Å; V374-S411 WeakPolarHBondContact O-CA 3.28Å; V374-F412 VanDerWaalsContact C-CE1 3.5Å; V374-F412 WeakPolarHBondContact O-CD1 3.32Å; V374-F412 PolarHBondContact O-N 2.77Å
375	N	95.9	Very high	93	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.032	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	136.5	174	-70.1	84.2	0	0	0	110.5	G347 V348 S379 T380 L383 R396 F412	G347-N375 VanDerWaalsContact C-OD1 3.22Å; G347-N375 PolarHBondContact O-N 3.29Å; G347-N375 VanDerWaalsContact O-N 3.17Å; G347-N375 PolarHBondContact O-OD1 3.43Å; V348-N375 HydrophobicContact CG2-CB 4.18Å; N375-S379 PolarHBondContact ND2-OG 2.9Å; N375-T380 WeakPolarHBondContact CB-OG1 3.46Å; N375-L383 WeakPolarHBondContact ND2-CD1 3.35Å; N375-R396 VanDerWaalsContact O-CZ 3.31Å; N375-R396 PolarHBondContact O-NH1 3.44Å; N375-R396 PolarHBondContact O-NH2 2.97Å; N375-F412 HydrophobicContact CB-CZ 4.26Å; N375-F412 WeakPolarHBondContact ND2-CE2 3.17Å; N375-F412 VanDerWaalsContact ND2-CZ 3.32Å; N375-F412 WeakPolarHBondContact ND2-CZ 3.39Å; N375-F412 WeakPolarHBondContact OD1-CZ 3.42Å
376	S	95.7	Very high	92.8	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.028	22%	0.224	C	C	.	.			trans	-62.4	169.1	170.2	79.6	0	0	0	0	112.6	V374 A378 S379 T380 F412 E413	V374-S376 PolarHBondContact O-N 3.19Å; S376-A378 VanDerWaalsContact C-N 3.32Å; S376-A378 PolarHBondContact O-N 2.82Å; S376-S379 PolarHBondContact O-N 2.93Å; S376-S379 WeakPolarHBondContact OG-CB 3.37Å; S376-S379 PolarHBondContact OG-N 2.96Å; S376-S379 VanDerWaalsContact OG-N 3.08Å; S376-T380 VanDerWaalsContact O-CB 3.31Å; S376-T380 WeakPolarHBondContact O-CB 3.27Å; S376-T380 PolarHBondContact O-N 2.77Å; S376-T380 PolarHBondContact O-OG1 2.85Å; S376-F412 WeakPolarHBondContact CB-O 3.27Å; S376-F412 PolarHBondContact N-O 2.97Å; S376-E413 WeakPolarHBondContact CB-OE2 3.44Å; S376-E413 PolarHBondContact OG-OE1 3Å; S376-E413 PolarHBondContact OG-OE2 3.47Å
377	D	94.3	Very high	92.6	Very high	49 Å²	49	45.1 Å²	45.1	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-39.2	178.1	-66.9	-16.7	0	0	0	111.6	T380 K381 P389 P392 L393 R396	D377-T380 PolarHBondContact O-N 2.85Å; D377-K381 WeakPolarHBondContact O-CG 3.41Å; D377-K381 PolarHBondContact O-N 2.96Å; D377-P389 HydrophobicContact CB-CG 4.18Å; D377-P389 VanDerWaalsContact OD1-CG 3.25Å; D377-P389 WeakPolarHBondContact OD1-CG 3.44Å; D377-P392 WeakPolarHBondContact OD2-CA 3.35Å; D377-L393 VanDerWaalsContact CG-N 3.35Å; D377-L393 WeakPolarHBondContact OD1-CA 3.33Å; D377-L393 PolarHBondContact OD1-N 2.82Å; D377-L393 PolarHBondContact OD2-N 3.19Å; D377-L393 VanDerWaalsContact OD2-N 3.09Å; D377-R396 IonicContact OD1-CZ 2.84Å; D377-R396 IonicContact OD1-NE 2.8Å; D377-R396 IonicContact OD1-NH2 2.82Å; D377-R396 PolarHBondContact OD1-NH2 2.78Å
378	A	93.9	Very high	92.4	Very high	42 Å²	42	46.1 Å²	46.1	35%	0.347	24%	0.242	S	C	.	.	H	α-helix	trans	-70.6	-42	177	0	0	0	0	0	112.1	S376 T380 K381 R382 E413	S376-A378 VanDerWaalsContact C-N 3.32Å; S376-A378 PolarHBondContact O-N 2.82Å; A378-T380 VanDerWaalsContact C-N 3.31Å; A378-T380 PolarHBondContact O-N 2.77Å; A378-K381 PolarHBondContact O-N 2.86Å; A378-R382 WeakPolarHBondContact O-CG 3.09Å; A378-R382 PolarHBondContact O-N 3.18Å; A378-R382 VanDerWaalsContact O-N 3.1Å; A378-E413 WeakPolarHBondContact CB-OE1 3.42Å
379	S	93.9	Very high	92.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-45.5	171.4	-179.3	0	0	0	0	111.5	N375 S376 K381 R382 L383 E413 E414	N375-S379 PolarHBondContact ND2-OG 2.9Å; S376-S379 PolarHBondContact O-N 2.93Å; S376-S379 WeakPolarHBondContact OG-CB 3.37Å; S376-S379 PolarHBondContact OG-N 2.96Å; S376-S379 VanDerWaalsContact OG-N 3.08Å; S379-K381 PolarHBondContact O-N 2.9Å; S379-R382 PolarHBondContact O-N 2.7Å; S379-L383 VanDerWaalsContact O-CG 3.32Å; S379-L383 WeakPolarHBondContact O-CG 3.49Å; S379-L383 PolarHBondContact O-N 2.77Å; S379-E413 WeakPolarHBondContact CB-O 3.36Å; S379-E414 PolarHBondContact OG-O 3.49Å
380	T	92.4	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-42.7	179.9	-59.1	0	0	0	0	112.2	V348 N375 S376 D377 A378 R382 L383 K384 R388 P389	V348-T380 HydrophobicContact CB-CG2 4.41Å; V348-T380 HydrophobicContact CG1-CG2 3.38Å; V348-T380 HydrophobicContact CG2-CG2 4.09Å; N375-T380 WeakPolarHBondContact CB-OG1 3.46Å; S376-T380 VanDerWaalsContact O-CB 3.31Å; S376-T380 WeakPolarHBondContact O-CB 3.27Å; S376-T380 PolarHBondContact O-N 2.77Å; S376-T380 PolarHBondContact O-OG1 2.85Å; D377-T380 PolarHBondContact O-N 2.85Å; A378-T380 VanDerWaalsContact C-N 3.31Å; A378-T380 PolarHBondContact O-N 2.77Å; T380-R382 VanDerWaalsContact C-N 3.34Å; T380-R382 PolarHBondContact O-N 3.21Å; T380-L383 PolarHBondContact O-N 2.71Å; T380-K384 WeakPolarHBondContact O-CB 3.5Å; T380-K384 PolarHBondContact O-N 3.38Å; T380-R388 HydrophobicContact CG2-CB 4.19Å; T380-P389 HydrophobicContact CG2-CB 3.9Å; T380-P389 HydrophobicContact CG2-CG 4.02Å
381	K	93.7	Very high	92.4	Very high	100 Å²	100	48.5 Å²	48.5	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-59.6	-43.4	175.6	-77.4	175.6	176.1	177.2	0	111.9	D377 A378 S379 L383 G385 R388	D377-K381 WeakPolarHBondContact O-CG 3.41Å; D377-K381 PolarHBondContact O-N 2.96Å; A378-K381 PolarHBondContact O-N 2.86Å; S379-K381 PolarHBondContact O-N 2.9Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 3.08Å; K381-G385 CarbonylContact O-C 3.59Å; K381-G385 WeakPolarHBondContact O-CA 3.43Å; K381-G385 PolarHBondContact O-N 2.91Å; K381-R388 WeakPolarHBondContact CA-O 3.39Å; K381-R388 WeakPolarHBondContact CG-O 3.41Å; K381-R388 PolarHBondContact N-O 2.79Å
382	R	93.1	Very high	92.1	Very high	129 Å²	129	51.1 Å²	51.1	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-37.4	175.9	-67.6	-171.3	-54	-93.1	2.4	112.3	A378 S379 T380 E413 D415	A378-R382 WeakPolarHBondContact O-CG 3.09Å; A378-R382 PolarHBondContact O-N 3.18Å; A378-R382 VanDerWaalsContact O-N 3.1Å; S379-R382 PolarHBondContact O-N 2.7Å; T380-R382 VanDerWaalsContact C-N 3.34Å; T380-R382 PolarHBondContact O-N 3.21Å; R382-E413 IonicContact NH1-OE1 3.97Å; R382-E413 PolarHBondContact NH2-O 3.24Å; R382-D415 IonicContact CZ-OD1 3.74Å; R382-D415 VanDerWaalsContact CZ-OD1 3.3Å; R382-D415 IonicContact NE-OD1 2.68Å; R382-D415 PolarHBondContact NE-OD1 2.87Å; R382-D415 IonicContact NH2-OD1 3.2Å; R382-D415 PolarHBondContact NH2-OD1 3.03Å
383	L	89	Confident	91.9	Very high	82 Å²	82	52.8 Å²	52.8	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-82.3	-30.7	-177.5	-69.3	172.3	0	0	0	114.8	N375 S379 T380 K381 D415	N375-L383 WeakPolarHBondContact ND2-CD1 3.35Å; S379-L383 VanDerWaalsContact O-CG 3.32Å; S379-L383 WeakPolarHBondContact O-CG 3.49Å; S379-L383 PolarHBondContact O-N 2.77Å; T380-L383 PolarHBondContact O-N 2.71Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 3.08Å; L383-D415 HydrophobicContact CD2-CB 4.49Å
384	K	87.5	Confident	91.4	Very high	139 Å²	139	59.8 Å²	59.8	60%	0.604	32%	0.319	S	S	*	.	H	α-helix	trans	-126.5	-3	-169.3	-61.4	-64.3	-177.8	-173	0	114.1	T380 R388	T380-K384 WeakPolarHBondContact O-CB 3.5Å; T380-K384 PolarHBondContact O-N 3.38Å; K384-R388 HydrophobicContact CB-CB 3.72Å; K384-R388 HydrophobicContact CB-CG 4.05Å
385	G	89.2	Confident	91	Very high	34 Å²	34	64.6 Å²	64.6	35%	0.351	34%	0.342	S	S	.	.			trans	88.9	168.3	-176.7	0	0	0	0	0	113.6	K381 S387 R388	K381-G385 CarbonylContact O-C 3.59Å; K381-G385 WeakPolarHBondContact O-CA 3.43Å; K381-G385 PolarHBondContact O-N 2.91Å; G385-S387 PolarHBondContact O-N 2.9Å; G385-R388 PolarHBondContact O-N 3Å
386	D	88.3	Confident	90.9	Very high	146 Å²	146	64.5 Å²	64.5	78%	0.781	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.9	-169.3	-65.9	-34.7	0	0	0	115.5	R388	D386-R388 PolarHBondContact O-N 3.35Å
387	S	87.2	Confident	90.6	Very high	96 Å²	96	65 Å²	65	67%	0.671	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.1	178	67.2	0	0	0	0	114.4	G385	G385-S387 PolarHBondContact O-N 2.9Å
388	R	86.3	Confident	89.9	Confident	34 Å²	34	67.3 Å²	67.3	13%	0.128	36%	0.355	C	S	.	.			trans	-130.3	140.7	-177.8	-60.3	-62.6	-63	-95.3	-1.7	109.8	D350 T380 K381 K384 G385 D386 T464	D350-R388 VanDerWaalsContact CB-NH2 3.27Å; D350-R388 IonicContact OD2-CZ 3.84Å; D350-R388 IonicContact OD2-NE 2.81Å; D350-R388 PolarHBondContact OD2-NE 3.12Å; D350-R388 IonicContact OD2-NH2 3.12Å; D350-R388 PolarHBondContact OD2-NH2 3.27Å; T380-R388 HydrophobicContact CG2-CB 4.19Å; K381-R388 WeakPolarHBondContact CA-O 3.39Å; K381-R388 WeakPolarHBondContact CG-O 3.41Å; K381-R388 PolarHBondContact N-O 2.79Å; K384-R388 HydrophobicContact CB-CB 3.72Å; K384-R388 HydrophobicContact CB-CG 4.05Å; G385-R388 PolarHBondContact O-N 3Å; D386-R388 PolarHBondContact O-N 3.35Å; R388-T464 VanDerWaalsContact NH2-CG2 3.29Å
389	P	91.3	Very high	89.6	Confident	20 Å²	20	69 Å²	69	13%	0.13	36%	0.36	C	S	.	.			cis	-78.2	160.5	3.5	29.9	-23.5	0	0	0	111.8	D350 D377 T380 N391	D350-P389 HydrophobicContact CB-CB 4.34Å; D350-P389 WeakPolarHBondContact OD2-CA 3.43Å; D377-P389 HydrophobicContact CB-CG 4.18Å; D377-P389 VanDerWaalsContact OD1-CG 3.25Å; D377-P389 WeakPolarHBondContact OD1-CG 3.44Å; T380-P389 HydrophobicContact CG2-CB 3.9Å; T380-P389 HydrophobicContact CG2-CG 4.02Å; P389-N391 WeakPolarHBondContact CB-O 3.46Å
390	V	90.8	Very high	89.4	Confident	85 Å²	85	69 Å²	69	52%	0.515	36%	0.36	S	S	.	.	S	Bend	trans	-77.9	-41.8	171.1	178.1	0	0	0	0	109.7	D350 I351	D350-V390 VanDerWaalsContact CG-N 3.25Å; D350-V390 PolarHBondContact OD1-N 3.07Å; D350-V390 PolarHBondContact OD2-N 2.76Å; I351-V390 HydrophobicContact CD1-CB 4.42Å; I351-V390 HydrophobicContact CD1-CG2 4.24Å
391	N	91	Very high	89.1	Confident	53 Å²	53	70.2 Å²	70.2	28%	0.283	37%	0.373	S	S	.	.	S	Bend	trans	-98.8	133.2	178.3	-61.2	-51.6	0	0	0	110.6	D350 P389 R396	D350-N391 PolarHBondContact O-ND2 3Å; D350-N391 PolarHBondContact OD1-N 2.75Å; P389-N391 WeakPolarHBondContact CB-O 3.46Å; N391-R396 HydrophobicContact CB-CG 3.82Å; N391-R396 VanDerWaalsContact O-CD 3.3Å; N391-R396 WeakPolarHBondContact O-CD 3.13Å; N391-R396 PolarHBondContact O-NE 3.16Å
392	P	91.4	Very high	88.6	Confident	55 Å²	55	69.3 Å²	69.3	36%	0.357	38%	0.384	S	S	.	.			trans	-62.2	157.3	176.5	28.1	-35.4	0	0	0	111.4	D377 E394 Q395 R396	D377-P392 WeakPolarHBondContact OD2-CA 3.35Å; P392-E394 VanDerWaalsContact C-N 3.3Å; P392-E394 PolarHBondContact O-N 2.91Å; P392-Q395 HydrophobicContact CG-CB 4.24Å; P392-Q395 HydrophobicContact CG-CG 3.86Å; P392-Q395 PolarHBondContact O-N 2.85Å; P392-Q395 VanDerWaalsContact O-N 3.11Å; P392-R396 PolarHBondContact O-N 3.07Å; P392-R396 VanDerWaalsContact O-N 3.16Å
393	L	92.6	Very high	88.3	Confident	34 Å²	34	65.1 Å²	65.1	18%	0.178	37%	0.371	C	S	.	.	H	α-helix	trans	-49.8	-48.3	-174.9	174.7	62.6	0	0	0	113	V374 D377 Q395 R396 M397	V374-L393 HydrophobicContact CB-CD1 4.35Å; V374-L393 HydrophobicContact CG1-CD1 3.81Å; D377-L393 VanDerWaalsContact CG-N 3.35Å; D377-L393 WeakPolarHBondContact OD1-CA 3.33Å; D377-L393 PolarHBondContact OD1-N 2.82Å; D377-L393 PolarHBondContact OD2-N 3.19Å; D377-L393 VanDerWaalsContact OD2-N 3.09Å; L393-Q395 VanDerWaalsContact C-N 3.32Å; L393-Q395 PolarHBondContact O-N 3.41Å; L393-R396 PolarHBondContact O-N 2.88Å; L393-R396 VanDerWaalsContact O-N 3.16Å; L393-M397 HydrophobicContact CD1-CG 3.82Å; L393-M397 HydrophobicContact CD1-SD 3.81Å; L393-M397 HydrophobicContact CD2-SD 4.38Å; L393-M397 HydrophobicContact CG-CG 4.25Å; L393-M397 HydrophobicContact CG-SD 3.86Å; L393-M397 WeakPolarHBondContact O-CG 3.25Å; L393-M397 PolarHBondContact O-N 3.4Å
394	E	85.9	Confident	88	Confident	147 Å²	147	70.4 Å²	70.4	69%	0.687	39%	0.394	S	S	*	.	H	α-helix	trans	-54.7	-47.2	-178.8	-174.8	179.6	-174.5	0	0	112	P392 M397 I398	P392-E394 VanDerWaalsContact C-N 3.3Å; P392-E394 PolarHBondContact O-N 2.91Å; E394-M397 PolarHBondContact O-N 3.48Å; E394-I398 HydrophobicContact CG-CD1 4.11Å; E394-I398 VanDerWaalsContact O-CG1 3.31Å; E394-I398 WeakPolarHBondContact O-CG1 3.47Å; E394-I398 PolarHBondContact O-N 2.89Å
395	Q	88.2	Confident	88.1	Confident	101 Å²	101	64.8 Å²	64.8	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-66.2	-41.6	179.1	-68.5	178.2	11.7	0	0	111.9	P392 L393 M397 I398 V399	P392-Q395 HydrophobicContact CG-CB 4.24Å; P392-Q395 HydrophobicContact CG-CG 3.86Å; P392-Q395 PolarHBondContact O-N 2.85Å; P392-Q395 VanDerWaalsContact O-N 3.11Å; L393-Q395 VanDerWaalsContact C-N 3.32Å; L393-Q395 PolarHBondContact O-N 3.41Å; Q395-M397 VanDerWaalsContact C-N 3.29Å; Q395-M397 PolarHBondContact O-N 2.94Å; Q395-I398 PolarHBondContact O-N 3.29Å; Q395-V399 VanDerWaalsContact O-CG2 3.3Å; Q395-V399 WeakPolarHBondContact O-CG2 3.42Å; Q395-V399 PolarHBondContact O-N 3.05Å
396	R	93.1	Very high	88.2	Confident	5 Å²	5	63.6 Å²	63.6	2%	0.019	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-41.5	177	-65.9	-177.2	-69.7	117.2	-2.5	111	V348 N375 D377 N391 P392 L393 L400	V348-R396 PolarHBondContact O-NH1 2.77Å; N375-R396 VanDerWaalsContact O-CZ 3.31Å; N375-R396 PolarHBondContact O-NH1 3.44Å; N375-R396 PolarHBondContact O-NH2 2.97Å; D377-R396 IonicContact OD1-CZ 2.84Å; D377-R396 IonicContact OD1-NE 2.8Å; D377-R396 IonicContact OD1-NH2 2.82Å; D377-R396 PolarHBondContact OD1-NH2 2.78Å; N391-R396 HydrophobicContact CB-CG 3.82Å; N391-R396 VanDerWaalsContact O-CD 3.3Å; N391-R396 WeakPolarHBondContact O-CD 3.13Å; N391-R396 PolarHBondContact O-NE 3.16Å; P392-R396 PolarHBondContact O-N 3.07Å; P392-R396 VanDerWaalsContact O-N 3.16Å; L393-R396 PolarHBondContact O-N 2.88Å; L393-R396 VanDerWaalsContact O-N 3.16Å; R396-L400 WeakPolarHBondContact O-CB 3.18Å; R396-L400 WeakPolarHBondContact O-CG 3.41Å; R396-L400 PolarHBondContact O-N 3.27Å
397	M	89.7	Confident	88.2	Confident	13 Å²	13	57.3 Å²	57.3	6%	0.064	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-43.2	178.3	-68.9	-175.8	81.6	0	0	112.4	V322 V374 L393 E394 Q395 L400 G401 V409	V322-M397 HydrophobicContact CB-CE 4.48Å; V322-M397 HydrophobicContact CG1-CE 3.58Å; V322-M397 HydrophobicContact CG1-SD 4.38Å; V322-M397 HydrophobicContact CG2-CB 3.79Å; V322-M397 HydrophobicContact CG2-CE 4.48Å; V374-M397 HydrophobicContact CB-CG 4.46Å; L393-M397 HydrophobicContact CD1-CG 3.82Å; L393-M397 HydrophobicContact CD1-SD 3.81Å; L393-M397 HydrophobicContact CD2-SD 4.38Å; L393-M397 HydrophobicContact CG-CG 4.25Å; L393-M397 HydrophobicContact CG-SD 3.86Å; L393-M397 WeakPolarHBondContact O-CG 3.25Å; L393-M397 PolarHBondContact O-N 3.4Å; E394-M397 PolarHBondContact O-N 3.48Å; Q395-M397 VanDerWaalsContact C-N 3.29Å; Q395-M397 PolarHBondContact O-N 2.94Å; M397-L400 PolarHBondContact O-N 3.47Å; M397-G401 PolarHBondContact O-N 3.17Å; M397-V409 HydrophobicContact CB-CG1 4.05Å; M397-V409 HydrophobicContact CE-CG1 3.92Å; M397-V409 HydrophobicContact CG-CG1 3.97Å
398	I	79.2	Confident	88.4	Confident	99 Å²	99	52.8 Å²	52.8	51%	0.508	29%	0.293	S	S	.	.	H	α-helix	trans	-58.7	-49.1	175.3	-70	164.9	0	0	0	110.7	E394 Q395 L400 G401 A402	E394-I398 HydrophobicContact CG-CD1 4.11Å; E394-I398 VanDerWaalsContact O-CG1 3.31Å; E394-I398 WeakPolarHBondContact O-CG1 3.47Å; E394-I398 PolarHBondContact O-N 2.89Å; Q395-I398 PolarHBondContact O-N 3.29Å; I398-L400 VanDerWaalsContact C-N 3.33Å; I398-L400 PolarHBondContact O-N 3.48Å; I398-G401 PolarHBondContact O-N 3.5Å; I398-A402 PolarHBondContact O-N 3.38Å
399	V	88.2	Confident	88.8	Confident	76 Å²	76	51.1 Å²	51.1	46%	0.461	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-42.5	-178.8	174.8	0	0	0	0	111	L352 Q395 A402	L352-V399 HydrophobicContact CD1-CG1 3.51Å; L352-V399 HydrophobicContact CG-CG1 4.37Å; Q395-V399 VanDerWaalsContact O-CG2 3.3Å; Q395-V399 WeakPolarHBondContact O-CG2 3.42Å; Q395-V399 PolarHBondContact O-N 3.05Å; V399-A402 PolarHBondContact O-N 2.89Å
400	L	90.6	Very high	89	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-41.6	176.3	-75.7	168.3	0	0	0	112.4	F349 L352 L360 V372 V374 R396 M397 I398 A402 L403 V406 V409	F349-L400 HydrophobicContact CB-CD1 3.74Å; F349-L400 HydrophobicContact CB-CD2 4.07Å; F349-L400 HydrophobicContact CB-CG 4.24Å; F349-L400 HydrophobicContact CD1-CD2 4.06Å; F349-L400 HydrophobicContact CD2-CD1 4.07Å; F349-L400 HydrophobicContact CD2-CD2 4.46Å; F349-L400 HydrophobicContact CG-CD1 4.03Å; F349-L400 HydrophobicContact CG-CD2 3.96Å; L352-L400 HydrophobicContact CD1-CD2 4.34Å; L352-L400 HydrophobicContact CD2-CD2 4.25Å; L360-L400 HydrophobicContact CD1-CD2 3.95Å; V372-L400 HydrophobicContact CG1-CD1 3.91Å; V372-L400 HydrophobicContact CG1-CD2 4.34Å; V374-L400 HydrophobicContact CG2-CD1 3.31Å; R396-L400 WeakPolarHBondContact O-CB 3.18Å; R396-L400 WeakPolarHBondContact O-CG 3.41Å; R396-L400 PolarHBondContact O-N 3.27Å; M397-L400 PolarHBondContact O-N 3.47Å; I398-L400 VanDerWaalsContact C-N 3.33Å; I398-L400 PolarHBondContact O-N 3.48Å; L400-A402 PolarHBondContact O-N 2.8Å; L400-L403 HydrophobicContact CD2-CD1 4.11Å; L400-L403 WeakPolarHBondContact O-CB 3.31Å; L400-L403 PolarHBondContact O-N 3.13Å; L400-L403 VanDerWaalsContact O-N 3.1Å; L400-V406 WeakPolarHBondContact O-CB 3.43Å; L400-V409 HydrophobicContact CB-CG1 4.24Å; L400-V409 HydrophobicContact CB-CG2 3.85Å; L400-V409 HydrophobicContact CD1-CG1 4.32Å
401	G	85.5	Confident	89.2	Confident	26 Å²	26	48.5 Å²	48.5	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-19.4	179.3	0	0	0	0	0	113.3	M397 I398	M397-G401 PolarHBondContact O-N 3.17Å; I398-G401 PolarHBondContact O-N 3.5Å
402	A	82.6	Confident	89.5	Confident	82 Å²	82	46.3 Å²	46.3	68%	0.678	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.3	174.3	0	0	0	0	0	113.8	I398 V399 L400	I398-A402 PolarHBondContact O-N 3.38Å; V399-A402 PolarHBondContact O-N 2.89Å; L400-A402 PolarHBondContact O-N 2.8Å
403	L	87.1	Confident	89.6	Confident	40 Å²	40	48.4 Å²	48.4	21%	0.209	27%	0.266	C	S	.	.	S	Bend	trans	-77.9	127.2	176.7	-63.7	-179.8	0	0	0	110.3	L352 L360 L400 A405 V406	L352-L403 HydrophobicContact CD1-CD1 3.93Å; L360-L403 HydrophobicContact CD1-CD1 3.6Å; L400-L403 HydrophobicContact CD2-CD1 4.11Å; L400-L403 WeakPolarHBondContact O-CB 3.31Å; L400-L403 PolarHBondContact O-N 3.13Å; L400-L403 VanDerWaalsContact O-N 3.1Å; L403-A405 PolarHBondContact O-N 3.3Å; L403-V406 HydrophobicContact CB-CB 4.44Å; L403-V406 HydrophobicContact CB-CG2 4.02Å; L403-V406 HydrophobicContact CD1-CG2 4.42Å; L403-V406 PolarHBondContact O-N 3.18Å
404	E	83.2	Confident	89.7	Confident	194 Å²	194	49.9 Å²	49.9	91%	0.907	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-33.3	179.5	-174.6	-175.9	178.3	0	0	113.8	V406	E404-V406 VanDerWaalsContact C-N 3.28Å; E404-V406 PolarHBondContact O-N 3.23Å
405	A	89.3	Confident	89.9	Confident	20 Å²	20	47 Å²	47	17%	0.165	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.9	-179.3	0	0	0	0	0	114.2	L360 A361 R364 L370 L403	L360-A405 HydrophobicContact CB-CB 4.32Å; A361-A405 HydrophobicContact CB-CB 4.43Å; R364-A405 HydrophobicContact CB-CB 4.11Å; R364-A405 WeakPolarHBondContact CB-O 3.38Å; R364-A405 WeakPolarHBondContact CD-O 3.24Å; R364-A405 HydrophobicContact CG-CB 4.5Å; R364-A405 WeakPolarHBondContact CG-O 3.42Å; L370-A405 WeakPolarHBondContact CB-O 3.46Å; L370-A405 WeakPolarHBondContact CD2-O 3.49Å; L403-A405 PolarHBondContact O-N 3.3Å
406	V	90.5	Very high	90.1	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.055	26%	0.258	C	S	.	.			trans	-108.6	116.6	-170.2	179.8	0	0	0	0	110.1	L360 L370 V372 L400 L403 E404 V409	L360-V406 HydrophobicContact CD1-CG2 4Å; L370-V406 HydrophobicContact CD2-CG2 4.32Å; V372-V406 HydrophobicContact CB-CG1 4.21Å; V372-V406 HydrophobicContact CG2-CB 4.35Å; V372-V406 HydrophobicContact CG2-CG1 3.67Å; V372-V406 HydrophobicContact CG2-CG2 3.73Å; L400-V406 WeakPolarHBondContact O-CB 3.43Å; L403-V406 HydrophobicContact CB-CB 4.44Å; L403-V406 HydrophobicContact CB-CG2 4.02Å; L403-V406 HydrophobicContact CD1-CG2 4.42Å; L403-V406 PolarHBondContact O-N 3.18Å; E404-V406 VanDerWaalsContact C-N 3.28Å; E404-V406 PolarHBondContact O-N 3.23Å; V406-V409 HydrophobicContact CG1-CG2 3.54Å
407	D	88.5	Confident	90.1	Very high	14 Å²	14	45.3 Å²	45.3	8%	0.075	26%	0.259	C	S	.	.	S	Bend	trans	-84	-44.7	177	-66.9	-98.6	0	0	0	110.8	F320 G321 R364 R369 L370	F320-D407 CarbonylContact C-O 3.57Å; F320-D407 WeakPolarHBondContact CA-O 3.34Å; F320-D407 WeakPolarHBondContact CB-O 3.37Å; F320-D407 HydrophobicContact CD1-CB 3.69Å; F320-D407 HydrophobicContact CE1-CB 3.97Å; F320-D407 VanDerWaalsContact CE1-OD1 3.22Å; F320-D407 WeakPolarHBondContact CE1-OD1 3.48Å; G321-D407 PolarHBondContact N-O 2.93Å; R364-D407 WeakPolarHBondContact CD-OD2 3.29Å; R364-D407 IonicContact CZ-OD2 3Å; R364-D407 IonicContact NE-OD2 3.9Å; R364-D407 PolarHBondContact NE-OD2 3.45Å; R364-D407 IonicContact NH2-OD2 3.1Å; R369-D407 VanDerWaalsContact CA-OD2 3.29Å; R369-D407 WeakPolarHBondContact CA-OD2 3.5Å; R369-D407 HydrophobicContact CB-CB 4.43Å; R369-D407 VanDerWaalsContact CD-OD1 3.27Å; R369-D407 WeakPolarHBondContact CD-OD1 3.25Å; R369-D407 IonicContact CZ-OD1 2.81Å; R369-D407 IonicContact NE-OD1 2.77Å; R369-D407 IonicContact NH1-OD1 3.21Å; R369-D407 PolarHBondContact NH1-OD1 3.17Å; L370-D407 PolarHBondContact N-OD2 3.17Å; L370-D407 PolarHBondContact O-N 2.98Å
408	W	92.8	Very high	90.4	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.1	-175	-56.8	-40.2	0	0	0	112.6	G319 F320 G321 M323 L328 A331 V332 A335 V342 R369 L370 I371 V372	G319-W408 PolarHBondContact O-NE1 3.34Å; F320-W408 AromaticContact CD1-NE1 3.72Å; F320-W408 HydrophobicContact CE1-CZ2 4.39Å; G321-W408 CarbonylContact O-C 3.52Å; G321-W408 WeakPolarHBondContact O-CA 3.29Å; M323-W408 HydrophobicContact CE-CG 4.04Å; M323-W408 HydrophobicContact SD-CB 4.18Å; M323-W408 VanDerWaalsContact SD-CD1 3.52Å; M323-W408 HydrophobicContact SD-CG 3.83Å; L328-W408 HydrophobicContact CD1-CB 3.7Å; L328-W408 HydrophobicContact CD1-CD2 3.87Å; L328-W408 HydrophobicContact CD1-CE3 3.71Å; L328-W408 HydrophobicContact CD1-CG 3.82Å; A331-W408 HydrophobicContact CB-CZ2 4.12Å; V332-W408 HydrophobicContact CG2-CE3 3.92Å; V332-W408 HydrophobicContact CG2-CZ3 3.66Å; A335-W408 HydrophobicContact CB-CH2 3.66Å; A335-W408 HydrophobicContact CB-CZ3 4.49Å; V342-W408 HydrophobicContact CG1-CZ3 4.12Å; V342-W408 HydrophobicContact CG2-CZ3 4.28Å; R369-W408 HydrophobicContact CB-CE3 4.46Å; R369-W408 HydrophobicContact CB-CH2 3.79Å; R369-W408 HydrophobicContact CB-CZ2 4.45Å; R369-W408 HydrophobicContact CB-CZ3 3.8Å; R369-W408 HydrophobicContact CG-CH2 3.56Å; R369-W408 HydrophobicContact CG-CZ2 4.08Å; R369-W408 HydrophobicContact CG-CZ3 4.1Å; L370-W408 PolarHBondContact O-N 3.38Å; I371-W408 CarbonylContact C-O 3.6Å; I371-W408 WeakPolarHBondContact CA-O 3.45Å; I371-W408 HydrophobicContact CD1-CE3 3.9Å; I371-W408 HydrophobicContact CD1-CZ3 4.39Å; I371-W408 HydrophobicContact CG1-CB 4.18Å; I371-W408 HydrophobicContact CG1-CD2 4.33Å; I371-W408 HydrophobicContact CG1-CE3 3.47Å; I371-W408 VanDerWaalsContact CG1-CE3 3.47Å; I371-W408 HydrophobicContact CG1-CZ3 4.28Å; V372-W408 PolarHBondContact N-O 3.05Å
409	V	94.2	Very high	91.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.9	175	-171.3	0	0	0	0	109.4	G321 V322 M323 V372 V374 M397 L400 V406	G321-V409 PolarHBondContact O-N 3.42Å; V322-V409 CarbonylContact C-O 3.56Å; V322-V409 WeakPolarHBondContact CA-O 3.48Å; V322-V409 HydrophobicContact CG2-CB 4.39Å; M323-V409 PolarHBondContact N-O 3.25Å; V372-V409 WeakPolarHBondContact O-CA 3.41Å; V374-V409 HydrophobicContact CG2-CG1 3.61Å; M397-V409 HydrophobicContact CB-CG1 4.05Å; M397-V409 HydrophobicContact CE-CG1 3.92Å; M397-V409 HydrophobicContact CG-CG1 3.97Å; L400-V409 HydrophobicContact CB-CG1 4.24Å; L400-V409 HydrophobicContact CB-CG2 3.85Å; L400-V409 HydrophobicContact CD1-CG1 4.32Å; V406-V409 HydrophobicContact CG1-CG2 3.54Å
410	V	94.9	Very high	91.6	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.6	-179.2	62.5	0	0	0	0	109.4	L328 I371 V372 A373 V374 L420	L328-V410 HydrophobicContact CD2-CB 3.83Å; L328-V410 HydrophobicContact CD2-CG1 3.58Å; L328-V410 HydrophobicContact CD2-CG2 4.11Å; I371-V410 HydrophobicContact CG2-CG1 4.08Å; V372-V410 PolarHBondContact O-N 3.5Å; V372-V410 VanDerWaalsContact O-N 3.08Å; A373-V410 CarbonylContact C-O 3.56Å; A373-V410 VanDerWaalsContact CA-O 3.29Å; A373-V410 WeakPolarHBondContact CA-O 3.32Å; A373-V410 HydrophobicContact CB-CG1 4.04Å; V374-V410 PolarHBondContact N-O 2.91Å; V410-L420 HydrophobicContact CG1-CD2 3.68Å; V410-L420 HydrophobicContact CG2-CD1 4.44Å; V410-L420 HydrophobicContact CG2-CD2 4.32Å
411	S	95.7	Very high	91.9	Very high	47 Å²	47	45.5 Å²	45.5	33%	0.329	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	157.4	177	61.4	0	0	0	0	112.1	V374	V374-S411 CarbonylContact O-C 3.56Å; V374-S411 VanDerWaalsContact O-CA 3.27Å; V374-S411 WeakPolarHBondContact O-CA 3.28Å
412	F	96.6	Very high	92.4	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.8	170.3	67.8	-83.3	0	0	0	110.6	N346 A373 V374 N375 S376 E414 P417 L420	N346-F412 HydrophobicContact CB-CE1 4.28Å; A373-F412 HydrophobicContact CB-CD1 3.89Å; A373-F412 HydrophobicContact CB-CE1 3.93Å; V374-F412 VanDerWaalsContact C-CE1 3.5Å; V374-F412 WeakPolarHBondContact O-CD1 3.32Å; V374-F412 PolarHBondContact O-N 2.77Å; N375-F412 HydrophobicContact CB-CZ 4.26Å; N375-F412 WeakPolarHBondContact ND2-CE2 3.17Å; N375-F412 VanDerWaalsContact ND2-CZ 3.32Å; N375-F412 WeakPolarHBondContact ND2-CZ 3.39Å; N375-F412 WeakPolarHBondContact OD1-CZ 3.42Å; S376-F412 WeakPolarHBondContact CB-O 3.27Å; S376-F412 PolarHBondContact N-O 2.97Å; F412-E414 WeakPolarHBondContact CD2-O 3.41Å; F412-E414 WeakPolarHBondContact CE2-O 3.2Å; F412-P417 HydrophobicContact CD1-CB 4.3Å; F412-P417 HydrophobicContact CD2-CB 4.3Å; F412-P417 HydrophobicContact CE1-CB 4.02Å; F412-P417 HydrophobicContact CE2-CB 4.02Å; F412-P417 HydrophobicContact CG-CB 4.44Å; F412-P417 HydrophobicContact CZ-CB 3.86Å; F412-P417 HydrophobicContact CZ-CG 4.44Å; F412-L420 HydrophobicContact CB-CD2 4.23Å; F412-L420 HydrophobicContact CD1-CD2 4.44Å
413	E	94.3	Very high	93	Very high	99 Å²	99	44.2 Å²	44.2	46%	0.463	24%	0.238	S	C	.	.			trans	-99.1	-21.9	-170	-176.5	60.8	-148.5	0	0	112.1	S376 A378 S379 R382	S376-E413 WeakPolarHBondContact CB-OE2 3.44Å; S376-E413 PolarHBondContact OG-OE1 3Å; S376-E413 PolarHBondContact OG-OE2 3.47Å; A378-E413 WeakPolarHBondContact CB-OE1 3.42Å; S379-E413 WeakPolarHBondContact CB-O 3.36Å; R382-E413 IonicContact NH1-OE1 3.97Å; R382-E413 PolarHBondContact NH2-O 3.24Å
414	E	93.7	Very high	93.4	Very high	65 Å²	65	42.5 Å²	42.5	30%	0.304	23%	0.229	S	C	.	.	S	Bend	trans	-71.4	165.5	-177.3	-57.1	91.1	153.1	0	0	112.4	S379 F412 T416 R419	S379-E414 PolarHBondContact OG-O 3.49Å; F412-E414 WeakPolarHBondContact CD2-O 3.41Å; F412-E414 WeakPolarHBondContact CE2-O 3.2Å; E414-T416 VanDerWaalsContact C-N 3.26Å; E414-T416 WeakPolarHBondContact CB-O 3.46Å; E414-T416 PolarHBondContact O-N 3.38Å; E414-R419 WeakPolarHBondContact OE1-CD 3.27Å; E414-R419 IonicContact OE1-CZ 2.66Å; E414-R419 IonicContact OE1-NE 3.6Å; E414-R419 PolarHBondContact OE1-NE 3.47Å; E414-R419 IonicContact OE1-NH2 2.76Å
415	D	90.1	Very high	94	Very high	86 Å²	86	35.4 Å²	35.4	46%	0.46	20%	0.197	S	C	.	.	S	Bend	trans	-72.6	-24	177.5	-64.3	-11.7	0	0	0	111.9	R382 L383	R382-D415 IonicContact CZ-OD1 3.74Å; R382-D415 VanDerWaalsContact CZ-OD1 3.3Å; R382-D415 IonicContact NE-OD1 2.68Å; R382-D415 PolarHBondContact NE-OD1 2.87Å; R382-D415 IonicContact NH2-OD1 3.2Å; R382-D415 PolarHBondContact NH2-OD1 3.03Å; L383-D415 HydrophobicContact CD2-CB 4.49Å
416	T	92.1	Very high	94.3	Very high	65 Å²	65	34.5 Å²	34.5	40%	0.399	19%	0.189	S	C	.	.	S	Bend	trans	-130	146.9	173.8	81.7	0	0	0	0	110.6	E414 Q418 A441	E414-T416 VanDerWaalsContact C-N 3.26Å; E414-T416 WeakPolarHBondContact CB-O 3.46Å; E414-T416 PolarHBondContact O-N 3.38Å; T416-Q418 PolarHBondContact O-N 3.39Å; T416-Q418 VanDerWaalsContact O-N 3.16Å; T416-A441 HydrophobicContact CG2-CB 4.38Å
417	P	94.3	Very high	94.6	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.045	20%	0.199	C	C	.	.	S	Bend	trans	-77.2	8.7	179.2	37.2	-43.9	0	0	0	113.5	N346 F412 R419 L420 I421	N346-P417 HydrophobicContact CB-CB 4.23Å; N346-P417 HydrophobicContact CB-CG 4.09Å; N346-P417 WeakPolarHBondContact ND2-CG 3.35Å; F412-P417 HydrophobicContact CD1-CB 4.3Å; F412-P417 HydrophobicContact CD2-CB 4.3Å; F412-P417 HydrophobicContact CE1-CB 4.02Å; F412-P417 HydrophobicContact CE2-CB 4.02Å; F412-P417 HydrophobicContact CG-CB 4.44Å; F412-P417 HydrophobicContact CZ-CB 3.86Å; F412-P417 HydrophobicContact CZ-CG 4.44Å; P417-R419 VanDerWaalsContact C-N 3.31Å; P417-R419 PolarHBondContact O-N 3Å; P417-L420 WeakPolarHBondContact O-CB 3.41Å; P417-L420 PolarHBondContact O-N 2.93Å; P417-I421 HydrophobicContact CB-CD1 3.92Å; P417-I421 HydrophobicContact CB-CG1 4.22Å; P417-I421 HydrophobicContact CG-CD1 3.53Å; P417-I421 HydrophobicContact CG-CG1 4.37Å; P417-I421 WeakPolarHBondContact O-CG1 3.36Å; P417-I421 PolarHBondContact O-N 3.01Å
418	Q	95.8	Very high	95	Very high	78 Å²	78	35.8 Å²	35.8	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-54.4	-44	-167.4	-175.6	174.9	3.5	0	0	112.7	T416 L420 I421 A422 A441 E445	T416-Q418 PolarHBondContact O-N 3.39Å; T416-Q418 VanDerWaalsContact O-N 3.16Å; Q418-L420 PolarHBondContact O-N 2.73Å; Q418-I421 PolarHBondContact O-N 2.77Å; Q418-A422 VanDerWaalsContact O-CB 3.26Å; Q418-A422 WeakPolarHBondContact O-CB 3.36Å; Q418-A422 PolarHBondContact O-N 3.19Å; Q418-A441 HydrophobicContact CB-CB 4.27Å; Q418-E445 PolarHBondContact NE2-OE1 2.96Å
419	R	96.1	Very high	95.2	Very high	114 Å²	114	35.7 Å²	35.7	43%	0.43	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-46.7	177.6	-175.8	-161	62.1	77.3	0.5	111.7	E325 E414 P417 A422 G423	E325-R419 IonicContact OE1-CZ 2.73Å; E325-R419 IonicContact OE1-NH1 3.72Å; E325-R419 PolarHBondContact OE1-NH1 2.8Å; E325-R419 IonicContact OE2-CZ 3.65Å; E325-R419 IonicContact OE2-NH1 3.3Å; E325-R419 PolarHBondContact OE2-NH1 2.85Å; E325-R419 IonicContact OE2-NH2 3.77Å; E325-R419 PolarHBondContact OE2-NH2 3.42Å; E414-R419 WeakPolarHBondContact OE1-CD 3.27Å; E414-R419 IonicContact OE1-CZ 2.66Å; E414-R419 IonicContact OE1-NE 3.6Å; E414-R419 PolarHBondContact OE1-NE 3.47Å; E414-R419 IonicContact OE1-NH2 2.76Å; P417-R419 VanDerWaalsContact C-N 3.31Å; P417-R419 PolarHBondContact O-N 3Å; R419-A422 PolarHBondContact O-N 3Å; R419-G423 PolarHBondContact O-N 2.76Å
420	L	96.3	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-44.7	-180	179.8	66.3	0	0	0	110.7	E325 M344 A373 V410 F412 P417 Q418 A422 G423 I424	E325-L420 HydrophobicContact CB-CD1 4.4Å; E325-L420 HydrophobicContact CG-CD1 3.68Å; M344-L420 HydrophobicContact CE-CD2 3.88Å; M344-L420 HydrophobicContact CE-CG 3.97Å; A373-L420 HydrophobicContact CB-CD2 3.81Å; V410-L420 HydrophobicContact CG1-CD2 3.68Å; V410-L420 HydrophobicContact CG2-CD1 4.44Å; V410-L420 HydrophobicContact CG2-CD2 4.32Å; F412-L420 HydrophobicContact CB-CD2 4.23Å; F412-L420 HydrophobicContact CD1-CD2 4.44Å; P417-L420 WeakPolarHBondContact O-CB 3.41Å; P417-L420 PolarHBondContact O-N 2.93Å; Q418-L420 PolarHBondContact O-N 2.73Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 2.63Å; L420-G423 PolarHBondContact O-N 2.97Å; L420-G423 VanDerWaalsContact O-N 3.15Å; L420-I424 HydrophobicContact CD1-CG1 4.23Å; L420-I424 WeakPolarHBondContact O-CG1 3.34Å; L420-I424 PolarHBondContact O-N 2.96Å
421	I	97	Very high	95.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-43.6	175.7	-66.8	167.4	0	0	0	110.6	M344 P417 Q418 G423 I424 L425 P426 L429 A441 V446	M344-I421 HydrophobicContact CE-CG1 3.85Å; M344-I421 HydrophobicContact SD-CG1 3.88Å; P417-I421 HydrophobicContact CB-CD1 3.92Å; P417-I421 HydrophobicContact CB-CG1 4.22Å; P417-I421 HydrophobicContact CG-CD1 3.53Å; P417-I421 HydrophobicContact CG-CG1 4.37Å; P417-I421 WeakPolarHBondContact O-CG1 3.36Å; P417-I421 PolarHBondContact O-N 3.01Å; Q418-I421 PolarHBondContact O-N 2.77Å; I421-G423 VanDerWaalsContact C-N 3.26Å; I421-G423 PolarHBondContact O-N 2.84Å; I421-I424 PolarHBondContact O-N 3.13Å; I421-L425 WeakPolarHBondContact O-CA 3.42Å; I421-L425 PolarHBondContact O-N 2.94Å; I421-P426 HydrophobicContact CG2-CG 4.37Å; I421-L429 HydrophobicContact CD1-CD1 3.68Å; I421-L429 HydrophobicContact CD1-CD2 4.09Å; I421-L429 HydrophobicContact CG1-CD1 4.29Å; I421-L429 HydrophobicContact CG2-CD2 4.35Å; I421-A441 WeakPolarHBondContact CD1-O 3.27Å; I421-V446 HydrophobicContact CG2-CG2 3.65Å
422	A	96	Very high	94.5	Very high	38 Å²	38	35.3 Å²	35.3	31%	0.314	19%	0.189	S	C	.	.	H	α-helix	trans	-65.8	-26.9	177.4	0	0	0	0	0	113.2	Q418 R419 L420 L425 E445	Q418-A422 VanDerWaalsContact O-CB 3.26Å; Q418-A422 WeakPolarHBondContact O-CB 3.36Å; Q418-A422 PolarHBondContact O-N 3.19Å; R419-A422 PolarHBondContact O-N 3Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 2.63Å; A422-L425 WeakPolarHBondContact O-CD2 3.27Å; A422-L425 VanDerWaalsContact O-CG 3.29Å; A422-L425 WeakPolarHBondContact O-CG 3.11Å; A422-E445 HydrophobicContact CB-CB 4.26Å; A422-E445 HydrophobicContact CB-CG 3.92Å
423	G	94.7	Very high	93.5	Very high	42 Å²	42	35.6 Å²	35.6	43%	0.433	19%	0.194	S	C	.	.	H	α-helix	trans	-80.8	-30.5	175	0	0	0	0	0	114.1	R419 L420 I421	R419-G423 PolarHBondContact O-N 2.76Å; L420-G423 PolarHBondContact O-N 2.97Å; L420-G423 VanDerWaalsContact O-N 3.15Å; I421-G423 VanDerWaalsContact C-N 3.26Å; I421-G423 PolarHBondContact O-N 2.84Å
424	I	95.1	Very high	92.4	Very high	5 Å²	5	39 Å²	39	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-92.2	-37.5	-179	-64.3	-58.1	0	0	0	112.2	L328 K329 V332 R336 M344 I371 L420 I421	L328-I424 HydrophobicContact CB-CD1 4.38Å; L328-I424 HydrophobicContact CD2-CD1 3.84Å; L328-I424 HydrophobicContact CD2-CG1 4.03Å; L328-I424 HydrophobicContact CG-CD1 3.79Å; L328-I424 HydrophobicContact CG-CG1 4.47Å; K329-I424 HydrophobicContact CB-CD1 4.44Å; K329-I424 HydrophobicContact CG-CD1 3.63Å; V332-I424 HydrophobicContact CG1-CG2 4.19Å; V332-I424 HydrophobicContact CG2-CG2 3.96Å; R336-I424 PolarHBondContact NH1-O 3.46Å; R336-I424 PolarHBondContact NH2-O 3.28Å; M344-I424 HydrophobicContact SD-CB 4.48Å; M344-I424 HydrophobicContact SD-CG2 4.35Å; I371-I424 HydrophobicContact CD1-CG2 3.83Å; L420-I424 HydrophobicContact CD1-CG1 4.23Å; L420-I424 WeakPolarHBondContact O-CG1 3.34Å; L420-I424 PolarHBondContact O-N 2.96Å; I421-I424 PolarHBondContact O-N 3.13Å
425	L	95.8	Very high	91.6	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.236	22%	0.224	C	C	.	.			trans	52.3	57.6	-178.1	-63.1	172.1	0	0	0	113.9	R336 I421 A422 E445 N449	R336-L425 VanDerWaalsContact NH2-C 3.26Å; R336-L425 PolarHBondContact NH2-O 2.99Å; I421-L425 WeakPolarHBondContact O-CA 3.42Å; I421-L425 PolarHBondContact O-N 2.94Å; A422-L425 WeakPolarHBondContact O-CD2 3.27Å; A422-L425 VanDerWaalsContact O-CG 3.29Å; A422-L425 WeakPolarHBondContact O-CG 3.11Å; L425-E445 HydrophobicContact CD2-CB 4.14Å; L425-N449 HydrophobicContact CB-CB 4.41Å; L425-N449 HydrophobicContact CD1-CB 4.33Å; L425-N449 HydrophobicContact CD2-CB 4.18Å
426	P	96.5	Very high	91.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.			trans	-56.1	154.2	-175.7	30.1	-39.3	0	0	0	112.6	M344 I421 L428 V446	M344-P426 HydrophobicContact CB-CB 3.6Å; M344-P426 HydrophobicContact CB-CG 3.66Å; M344-P426 HydrophobicContact CG-CG 4.43Å; M344-P426 HydrophobicContact SD-CG 4.03Å; I421-P426 HydrophobicContact CG2-CG 4.37Å; P426-L428 VanDerWaalsContact C-N 3.32Å; P426-V446 HydrophobicContact CG-CG2 4.05Å
427	D	96.5	Very high	91	Very high	47 Å²	47	42.2 Å²	42.2	25%	0.251	22%	0.221	S	C	.	.	S	Bend	trans	-70.3	-32.4	177.2	-55	-73.8	0	0	0	111.2	K341 V342 G451 E452	K341-D427 HydrophobicContact CG-CB 3.79Å; V342-D427 WeakPolarHBondContact CB-OD2 3.48Å; V342-D427 PolarHBondContact N-OD2 3.18Å; V342-D427 PolarHBondContact O-N 3.45Å; D427-G451 CarbonylContact O-C 3.58Å; D427-G451 VanDerWaalsContact O-CA 3.24Å; D427-G451 WeakPolarHBondContact O-CA 3.36Å; D427-E452 PolarHBondContact O-N 3.29Å
428	L	96.7	Very high	90.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.1	166	-50.9	84.9	0	0	0	112.1	K341 V342 V343 M344 L366 P426 V430 E452 L454	K341-L428 HydrophobicContact CD-CD1 3.49Å; K341-L428 VanDerWaalsContact CD-CD1 3.49Å; K341-L428 HydrophobicContact CG-CD1 3.61Å; V342-L428 PolarHBondContact O-N 3.49Å; V342-L428 VanDerWaalsContact O-N 3.09Å; V343-L428 CarbonylContact C-O 3.6Å; V343-L428 WeakPolarHBondContact CA-O 3.27Å; V343-L428 HydrophobicContact CG1-CB 4.47Å; V343-L428 HydrophobicContact CG2-CD1 4.13Å; M344-L428 PolarHBondContact N-O 3.26Å; L366-L428 HydrophobicContact CB-CD2 4.05Å; P426-L428 VanDerWaalsContact C-N 3.32Å; L428-V430 HydrophobicContact CB-CG2 4.37Å; L428-E452 CarbonylContact C-O 3.58Å; L428-E452 VanDerWaalsContact CA-O 3.29Å; L428-E452 WeakPolarHBondContact CA-O 3.24Å; L428-E452 HydrophobicContact CG-CB 4.39Å; L428-L454 HydrophobicContact CD2-CD1 3.68Å; L428-L454 HydrophobicContact CD2-CG 4.49Å
429	L	97	Very high	90.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122	166	-179.5	62.9	0	0	0	109.3	I421 I440 V446 E452 V453 L454	I421-L429 HydrophobicContact CD1-CD1 3.68Å; I421-L429 HydrophobicContact CD1-CD2 4.09Å; I421-L429 HydrophobicContact CG1-CD1 4.29Å; I421-L429 HydrophobicContact CG2-CD2 4.35Å; L429-I440 HydrophobicContact CD2-CG2 3.64Å; L429-I440 HydrophobicContact CG-CG2 4.15Å; L429-V446 HydrophobicContact CB-CG1 4.38Å; L429-V446 HydrophobicContact CB-CG2 4.14Å; L429-V446 HydrophobicContact CD2-CG2 4.31Å; L429-E452 PolarHBondContact N-O 3.28Å; L429-V453 HydrophobicContact CB-CG2 4.28Å; L429-V453 CarbonylContact O-C 3.6Å; L429-V453 WeakPolarHBondContact O-CA 3.32Å; L429-L454 PolarHBondContact O-N 3.46Å
430	V	94.8	Very high	90.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.9	-175.9	-178.9	0	0	0	0	110	V343 M344 T345 Y359 A363 L366 L428 L454 L456	V343-V430 HydrophobicContact CG1-CB 4.26Å; V343-V430 HydrophobicContact CG1-CG2 3.55Å; M344-V430 PolarHBondContact O-N 2.89Å; T345-V430 WeakPolarHBondContact CA-O 3.21Å; T345-V430 WeakPolarHBondContact CB-O 3.37Å; T345-V430 PolarHBondContact OG1-O 3.5Å; Y359-V430 HydrophobicContact CE2-CG1 4.09Å; Y359-V430 PolarHBondContact OH-O 3.05Å; Y359-V430 VanDerWaalsContact OH-O 3.08Å; A363-V430 HydrophobicContact CB-CG1 4.18Å; L366-V430 HydrophobicContact CD1-CG2 3.72Å; L428-V430 HydrophobicContact CB-CG2 4.37Å; V430-L454 WeakPolarHBondContact CA-O 3.43Å; V430-L454 HydrophobicContact CG2-CB 4.44Å; V430-L456 HydrophobicContact CG1-CB 4.42Å; V430-L456 HydrophobicContact CG1-CD1 3.45Å; V430-L456 VanDerWaalsContact CG1-CD1 3.45Å; V430-L456 HydrophobicContact CG1-CG 3.55Å
431	K	91.6	Very high	90	Very high	35 Å²	35	45.7 Å²	45.7	15%	0.152	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.5	173.1	-161.3	67	176.4	-178.8	0	110.9	N346 Y359 Y435 I440 L454 V455 L456	N346-K431 VanDerWaalsContact CG-NZ 3.26Å; N346-K431 PolarHBondContact ND2-NZ 3.32Å; N346-K431 PolarHBondContact O-NZ 2.9Å; N346-K431 PolarHBondContact OD1-NZ 3.35Å; Y359-K431 VanDerWaalsContact OH-CA 3.25Å; Y359-K431 WeakPolarHBondContact OH-CA 3.21Å; K431-Y435 HydrophobicContact CG-CD2 3.86Å; K431-Y435 HydrophobicContact CG-CE2 4.24Å; K431-I440 HydrophobicContact CB-CD1 3.55Å; K431-I440 HydrophobicContact CB-CG1 4.14Å; K431-I440 HydrophobicContact CB-CG2 4.5Å; K431-I440 HydrophobicContact CG-CD1 4.4Å; K431-I440 HydrophobicContact CG-CG1 4.5Å; K431-L454 PolarHBondContact N-O 2.66Å; K431-V455 CarbonylContact O-C 3.59Å; K431-V455 VanDerWaalsContact O-CA 3.29Å; K431-V455 WeakPolarHBondContact O-CA 3.22Å; K431-L456 PolarHBondContact O-N 3.49Å
432	G	82.7	Confident	89.8	Confident	5 Å²	5	45.8 Å²	45.8	5%	0.052	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	145.6	168.6	0	0	0	0	0	111.4	Y359 L456 F458	Y359-G432 VanDerWaalsContact CE2-N 3.25Å; Y359-G432 PolarHBondContact OH-N 2.83Å; Y359-G432 VanDerWaalsContact OH-N 3.17Å; G432-L456 WeakPolarHBondContact CA-O 3.38Å; G432-F458 VanDerWaalsContact C-CZ 3.45Å; G432-F458 VanDerWaalsContact CA-CZ 3.44Å; G432-F458 WeakPolarHBondContact O-CE2 3.43Å
433	G	75.8	Confident	89.8	Confident	13 Å²	13	44.2 Å²	44.2	13%	0.134	23%	0.234	C	C	.	.	S	Bend	trans	113.3	-166.1	170.6	0	0	0	0	0	113.6	Y435 V455 L456 F458	G433-Y435 PolarHBondContact O-N 3.36Å; G433-V455 WeakPolarHBondContact O-CG1 3.42Å; G433-L456 PolarHBondContact N-O 2.85Å; G433-F458 VanDerWaalsContact N-CD2 3.35Å
434	D	70.9	Confident	89.8	Confident	170 Å²	170	49.6 Å²	49.6	91%	0.909	25%	0.246	S	C	*	.	S	Bend	trans	-89	26	-170.6	-52.9	-44.5	0	0	0	113.7
435	Y	77.6	Confident	89.9	Confident	123 Å²	123	51.8 Å²	51.8	48%	0.482	26%	0.256	S	S	.	.			trans	-74.9	146.9	179.3	-65.3	-79.2	0	0	0	110.8	K431 G433 V455	K431-Y435 HydrophobicContact CG-CD2 3.86Å; K431-Y435 HydrophobicContact CG-CE2 4.24Å; G433-Y435 PolarHBondContact O-N 3.36Å; Y435-V455 WeakPolarHBondContact O-CG2 3.2Å
436	K	84.3	Confident	89.9	Confident	118 Å²	118	49.7 Å²	49.7	51%	0.513	25%	0.245	S	C	.	.			trans	-81.9	144.8	160.5	-59.1	-178	-178.7	176.2	0	109.8	E438 E439	K436-E438 VanDerWaalsContact CB-CD 3.46Å; K436-E438 HydrophobicContact CB-CG 4.17Å; K436-E438 WeakPolarHBondContact CB-OE1 3.47Å; K436-E438 VanDerWaalsContact CD-OE1 3.31Å; K436-E438 WeakPolarHBondContact CD-OE1 3.36Å; K436-E438 PolarHBondContact O-N 3.06Å; K436-E438 VanDerWaalsContact O-N 3.08Å; K436-E439 HydrophobicContact CB-CG 4.12Å; K436-E439 PolarHBondContact N-OE2 3.31Å; K436-E439 WeakPolarHBondContact O-CB 3.43Å; K436-E439 PolarHBondContact O-N 3.36Å
437	P	85.3	Confident	89.8	Confident	43 Å²	43	55 Å²	55	28%	0.279	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-49	-38.2	179.6	-30.1	36.1	0	0	0	114.4	E439 I440 S443 W447 V453 V455	P437-E439 VanDerWaalsContact C-N 3.28Å; P437-E439 PolarHBondContact O-N 3.05Å; P437-I440 WeakPolarHBondContact O-CB 3.48Å; P437-I440 PolarHBondContact O-N 2.98Å; P437-S443 WeakPolarHBondContact O-CB 3.42Å; P437-W447 HydrophobicContact CB-CH2 4.18Å; P437-W447 HydrophobicContact CB-CZ2 3.84Å; P437-V453 HydrophobicContact CB-CB 4.33Å; P437-V453 HydrophobicContact CB-CG1 4.02Å; P437-V455 HydrophobicContact CG-CG2 4.11Å
438	E	88.8	Confident	89.8	Confident	113 Å²	113	57.1 Å²	57.1	53%	0.528	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17.7	178.3	61	-90	-156.7	0	0	115	K436 W447	K436-E438 VanDerWaalsContact CB-CD 3.46Å; K436-E438 HydrophobicContact CB-CG 4.17Å; K436-E438 WeakPolarHBondContact CB-OE1 3.47Å; K436-E438 VanDerWaalsContact CD-OE1 3.31Å; K436-E438 WeakPolarHBondContact CD-OE1 3.36Å; K436-E438 PolarHBondContact O-N 3.06Å; K436-E438 VanDerWaalsContact O-N 3.08Å; E438-W447 HydrophobicContact CB-CH2 4.08Å; E438-W447 HydrophobicContact CB-CZ3 4.41Å
439	E	89.1	Confident	89.6	Confident	119 Å²	119	60.9 Å²	60.9	56%	0.556	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-87.9	-10	177.6	-62.3	173	148.9	0	0	112.1	K436 P437 A441	K436-E439 HydrophobicContact CB-CG 4.12Å; K436-E439 PolarHBondContact N-OE2 3.31Å; K436-E439 WeakPolarHBondContact O-CB 3.43Å; K436-E439 PolarHBondContact O-N 3.36Å; P437-E439 VanDerWaalsContact C-N 3.28Å; P437-E439 PolarHBondContact O-N 3.05Å; E439-A441 PolarHBondContact O-N 3.33Å
440	I	90.7	Very high	89.5	Confident	12 Å²	12	64.3 Å²	64.3	6%	0.062	34%	0.344	C	S	.	.	S	Bend	trans	-78.7	124.2	-178	-59.1	171.6	0	0	0	109.5	L429 K431 P437 G442 S443 V453 V455	L429-I440 HydrophobicContact CD2-CG2 3.64Å; L429-I440 HydrophobicContact CG-CG2 4.15Å; K431-I440 HydrophobicContact CB-CD1 3.55Å; K431-I440 HydrophobicContact CB-CG1 4.14Å; K431-I440 HydrophobicContact CB-CG2 4.5Å; K431-I440 HydrophobicContact CG-CD1 4.4Å; K431-I440 HydrophobicContact CG-CG1 4.5Å; P437-I440 WeakPolarHBondContact O-CB 3.48Å; P437-I440 PolarHBondContact O-N 2.98Å; I440-G442 PolarHBondContact O-N 3.33Å; I440-S443 WeakPolarHBondContact O-CB 3.41Å; I440-S443 PolarHBondContact O-N 2.95Å; I440-S443 PolarHBondContact O-OG 3.48Å; I440-V453 HydrophobicContact CB-CG1 4.37Å; I440-V453 HydrophobicContact CD1-CG1 3.67Å; I440-V455 HydrophobicContact CD1-CG2 3.9Å
441	A	92.6	Very high	89.4	Confident	28 Å²	28	64.8 Å²	64.8	23%	0.231	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	124.8	174.7	0	0	0	0	0	110.9	T416 Q418 I421 E439	T416-A441 HydrophobicContact CG2-CB 4.38Å; Q418-A441 HydrophobicContact CB-CB 4.27Å; I421-A441 WeakPolarHBondContact CD1-O 3.27Å; E439-A441 PolarHBondContact O-N 3.33Å
442	G	93.5	Very high	89.6	Confident	2 Å²	2	67.9 Å²	67.9	2%	0.021	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-5	-175.5	0	0	0	0	0	115.1	I440 K444 E445 V446	I440-G442 PolarHBondContact O-N 3.33Å; G442-K444 PolarHBondContact O-N 3.29Å; G442-E445 VanDerWaalsContact C-OE2 3.27Å; G442-E445 VanDerWaalsContact CA-OE2 3.24Å; G442-E445 WeakPolarHBondContact CA-OE2 3.36Å; G442-E445 PolarHBondContact O-N 3.1Å; G442-V446 WeakPolarHBondContact O-CG2 3.47Å; G442-V446 PolarHBondContact O-N 3.06Å; G442-V446 VanDerWaalsContact O-N 3.08Å
443	S	94.9	Very high	90.2	Very high	5 Å²	5	68.1 Å²	68.1	4%	0.035	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-43.7	-178.9	52.7	0	0	0	0	113.2	P437 I440 E445 V446 W447	P437-S443 WeakPolarHBondContact O-CB 3.42Å; I440-S443 WeakPolarHBondContact O-CB 3.41Å; I440-S443 PolarHBondContact O-N 2.95Å; I440-S443 PolarHBondContact O-OG 3.48Å; S443-E445 VanDerWaalsContact C-N 3.34Å; S443-E445 PolarHBondContact O-N 3.1Å; S443-V446 PolarHBondContact O-N 2.76Å; S443-W447 WeakPolarHBondContact O-CB 3.35Å; S443-W447 VanDerWaalsContact O-CD2 3.32Å; S443-W447 PolarHBondContact O-N 2.58Å
444	K	95.1	Very high	91	Very high	155 Å²	155	70.2 Å²	70.2	67%	0.674	37%	0.372	S	S	*	.	H	α-helix	trans	-60.9	-43.1	-179.7	-67.1	-178.2	-179	177.1	0	112	G442 A448	G442-K444 PolarHBondContact O-N 3.29Å; K444-A448 VanDerWaalsContact O-CB 3.24Å; K444-A448 WeakPolarHBondContact O-CB 3.33Å; K444-A448 PolarHBondContact O-N 3.15Å
445	E	96.6	Very high	91.9	Very high	52 Å²	52	64.2 Å²	64.2	24%	0.243	34%	0.342	C	S	.	.	H	α-helix	trans	-70.5	-41.3	-178.9	-63.9	84	171.9	0	0	111.5	Q418 A422 L425 G442 S443 A448 N449	Q418-E445 PolarHBondContact NE2-OE1 2.96Å; A422-E445 HydrophobicContact CB-CB 4.26Å; A422-E445 HydrophobicContact CB-CG 3.92Å; L425-E445 HydrophobicContact CD2-CB 4.14Å; G442-E445 VanDerWaalsContact C-OE2 3.27Å; G442-E445 VanDerWaalsContact CA-OE2 3.24Å; G442-E445 WeakPolarHBondContact CA-OE2 3.36Å; G442-E445 PolarHBondContact O-N 3.1Å; S443-E445 VanDerWaalsContact C-N 3.34Å; S443-E445 PolarHBondContact O-N 3.1Å; E445-A448 PolarHBondContact O-N 2.91Å; E445-N449 WeakPolarHBondContact O-CB 3.32Å; E445-N449 PolarHBondContact O-N 3.09Å
446	V	95.7	Very high	92.4	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-47.5	176.2	171.7	0	0	0	0	110.8	I421 P426 L429 G442 S443 A448 N449 G450 G451 V453	I421-V446 HydrophobicContact CG2-CG2 3.65Å; P426-V446 HydrophobicContact CG-CG2 4.05Å; L429-V446 HydrophobicContact CB-CG1 4.38Å; L429-V446 HydrophobicContact CB-CG2 4.14Å; L429-V446 HydrophobicContact CD2-CG2 4.31Å; G442-V446 WeakPolarHBondContact O-CG2 3.47Å; G442-V446 PolarHBondContact O-N 3.06Å; G442-V446 VanDerWaalsContact O-N 3.08Å; S443-V446 PolarHBondContact O-N 2.76Å; V446-A448 PolarHBondContact O-N 3.39Å; V446-N449 CarbonylContact O-C 3.48Å; V446-N449 PolarHBondContact O-N 2.83Å; V446-G450 PolarHBondContact O-N 3.03Å; V446-G451 WeakPolarHBondContact O-CA 3.33Å; V446-G451 PolarHBondContact O-N 2.74Å; V446-V453 HydrophobicContact CB-CG2 4.27Å; V446-V453 HydrophobicContact CG1-CG2 4.1Å
447	W	96.3	Very high	91.8	Very high	113 Å²	113	61.3 Å²	61.3	43%	0.428	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-41.3	175.9	-70.1	-36.8	0	0	0	113	P437 E438 S443 N449 G450 V453	P437-W447 HydrophobicContact CB-CH2 4.18Å; P437-W447 HydrophobicContact CB-CZ2 3.84Å; E438-W447 HydrophobicContact CB-CH2 4.08Å; E438-W447 HydrophobicContact CB-CZ3 4.41Å; S443-W447 WeakPolarHBondContact O-CB 3.35Å; S443-W447 VanDerWaalsContact O-CD2 3.32Å; S443-W447 PolarHBondContact O-N 2.58Å; W447-N449 PolarHBondContact O-N 2.97Å; W447-G450 PolarHBondContact O-N 2.97Å; W447-V453 HydrophobicContact CD2-CG2 4.26Å; W447-V453 HydrophobicContact CG-CG2 4.44Å; W447-V453 HydrophobicContact CZ2-CB 3.95Å; W447-V453 HydrophobicContact CZ2-CG2 4.06Å
448	A	95.2	Very high	90.9	Very high	90 Å²	90	63.8 Å²	63.8	74%	0.744	35%	0.346	S	S	*	.	H	α-helix	trans	-62.9	-27.5	176.6	0	0	0	0	0	112.7	K444 E445 V446 G450	K444-A448 VanDerWaalsContact O-CB 3.24Å; K444-A448 WeakPolarHBondContact O-CB 3.33Å; K444-A448 PolarHBondContact O-N 3.15Å; E445-A448 PolarHBondContact O-N 2.91Å; V446-A448 PolarHBondContact O-N 3.39Å; A448-G450 VanDerWaalsContact C-N 3.33Å
449	N	93.4	Very high	89.6	Confident	83 Å²	83	63.1 Å²	63.1	44%	0.444	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.7	174.4	-165.7	65.1	0	0	0	113.5	L425 E445 V446 W447	L425-N449 HydrophobicContact CB-CB 4.41Å; L425-N449 HydrophobicContact CD1-CB 4.33Å; L425-N449 HydrophobicContact CD2-CB 4.18Å; E445-N449 WeakPolarHBondContact O-CB 3.32Å; E445-N449 PolarHBondContact O-N 3.09Å; V446-N449 CarbonylContact O-C 3.48Å; V446-N449 PolarHBondContact O-N 2.83Å; W447-N449 PolarHBondContact O-N 2.97Å
450	G	93.9	Very high	88.2	Confident	71 Å²	71	65.4 Å²	65.4	73%	0.732	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	11.1	179.7	0	0	0	0	0	115.2	V446 W447 A448	V446-G450 PolarHBondContact O-N 3.03Å; W447-G450 PolarHBondContact O-N 2.97Å; A448-G450 VanDerWaalsContact C-N 3.33Å
451	G	94.2	Very high	86.7	Confident	11 Å²	11	68.3 Å²	68.3	11%	0.113	39%	0.392	C	S	.	.			trans	-82.6	174.2	173.4	0	0	0	0	0	113.1	D427 V446	D427-G451 CarbonylContact O-C 3.58Å; D427-G451 VanDerWaalsContact O-CA 3.24Å; D427-G451 WeakPolarHBondContact O-CA 3.36Å; V446-G451 WeakPolarHBondContact O-CA 3.33Å; V446-G451 PolarHBondContact O-N 2.74Å
452	E	95.3	Very high	85.2	Confident	100 Å²	100	69.9 Å²	69.9	47%	0.467	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152	-179.6	-66	176.2	-119.9	0	0	111.7	K341 D427 L428 L429	K341-E452 IonicContact NZ-OE1 3.76Å; D427-E452 PolarHBondContact O-N 3.29Å; L428-E452 CarbonylContact C-O 3.58Å; L428-E452 VanDerWaalsContact CA-O 3.29Å; L428-E452 WeakPolarHBondContact CA-O 3.24Å; L428-E452 HydrophobicContact CG-CB 4.39Å; L429-E452 PolarHBondContact N-O 3.28Å
453	V	95.5	Very high	84.1	Confident	10 Å²	10	71.6 Å²	71.6	6%	0.061	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.7	175.5	-177.1	0	0	0	0	108.1	L429 P437 I440 V446 W447	L429-V453 HydrophobicContact CB-CG2 4.28Å; L429-V453 CarbonylContact O-C 3.6Å; L429-V453 WeakPolarHBondContact O-CA 3.32Å; P437-V453 HydrophobicContact CB-CB 4.33Å; P437-V453 HydrophobicContact CB-CG1 4.02Å; I440-V453 HydrophobicContact CB-CG1 4.37Å; I440-V453 HydrophobicContact CD1-CG1 3.67Å; V446-V453 HydrophobicContact CB-CG2 4.27Å; V446-V453 HydrophobicContact CG1-CG2 4.1Å; W447-V453 HydrophobicContact CD2-CG2 4.26Å; W447-V453 HydrophobicContact CG-CG2 4.44Å; W447-V453 HydrophobicContact CZ2-CB 3.95Å; W447-V453 HydrophobicContact CZ2-CG2 4.06Å
454	L	92.8	Very high	82.7	Confident	57 Å²	57	72 Å²	72	30%	0.298	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.9	-175	-60.7	178.3	0	0	0	111.2	L366 L428 L429 V430 K431	L366-L454 HydrophobicContact CD1-CD1 3.8Å; L428-L454 HydrophobicContact CD2-CD1 3.68Å; L428-L454 HydrophobicContact CD2-CG 4.49Å; L429-L454 PolarHBondContact O-N 3.46Å; V430-L454 WeakPolarHBondContact CA-O 3.43Å; V430-L454 HydrophobicContact CG2-CB 4.44Å; K431-L454 PolarHBondContact N-O 2.66Å
455	V	89.9	Confident	81.5	Confident	43 Å²	43	68.1 Å²	68.1	26%	0.261	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122	174	-179	0	0	0	0	107.7	K431 G433 Y435 P437 I440	K431-V455 CarbonylContact O-C 3.59Å; K431-V455 VanDerWaalsContact O-CA 3.29Å; K431-V455 WeakPolarHBondContact O-CA 3.22Å; G433-V455 WeakPolarHBondContact O-CG1 3.42Å; Y435-V455 WeakPolarHBondContact O-CG2 3.2Å; P437-V455 HydrophobicContact CG-CG2 4.11Å; I440-V455 HydrophobicContact CD1-CG2 3.9Å
456	L	86.2	Confident	80.4	Confident	36 Å²	36	69.8 Å²	69.8	19%	0.188	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.4	176.3	-62.6	-179.8	0	0	0	109.7	Y359 N362 A363 L366 V430 K431 G432 G433	Y359-L456 HydrophobicContact CD2-CB 4.16Å; Y359-L456 HydrophobicContact CD2-CD1 4.23Å; Y359-L456 HydrophobicContact CE2-CB 4.09Å; Y359-L456 HydrophobicContact CE2-CD1 4.12Å; N362-L456 HydrophobicContact CB-CD1 4.09Å; A363-L456 HydrophobicContact CB-CD1 4.12Å; L366-L456 HydrophobicContact CD1-CD1 4.4Å; L366-L456 HydrophobicContact CD1-CD2 4.24Å; V430-L456 HydrophobicContact CG1-CB 4.42Å; V430-L456 HydrophobicContact CG1-CD1 3.45Å; V430-L456 VanDerWaalsContact CG1-CD1 3.45Å; V430-L456 HydrophobicContact CG1-CG 3.55Å; K431-L456 PolarHBondContact O-N 3.49Å; G432-L456 WeakPolarHBondContact CA-O 3.38Å; G433-L456 PolarHBondContact N-O 2.85Å
457	N	72.3	Confident	79.4	Confident	144 Å²	144	72.7 Å²	72.7	77%	0.77	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-67.4	137.3	173.8	-66.1	-16.7	0	0	0	109.9
458	F	67.5	Low	78.4	Confident	95 Å²	95	68.9 Å²	68.9	42%	0.417	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-75.7	150.8	167.9	-74.7	-63.5	0	0	0	110.4	Y359 G432 G433 D460	Y359-F458 HydrophobicContact CD2-CE1 4.19Å; Y359-F458 HydrophobicContact CG-CE1 4.04Å; G432-F458 VanDerWaalsContact C-CZ 3.45Å; G432-F458 VanDerWaalsContact CA-CZ 3.44Å; G432-F458 WeakPolarHBondContact O-CE2 3.43Å; G433-F458 VanDerWaalsContact N-CD2 3.35Å; F458-D460 PolarHBondContact O-N 3.39Å
459	E	61.7	Low	77.6	Confident	100 Å²	100	69.9 Å²	69.9	47%	0.467	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-66.1	127	164.1	-76.4	177.7	-177.3	0	0	109.8	S358	S358-E459 VanDerWaalsContact CB-OE1 3.25Å; S358-E459 WeakPolarHBondContact CB-OE1 3.35Å; S358-E459 VanDerWaalsContact OG-CD 3.28Å; S358-E459 PolarHBondContact OG-OE1 3.04Å
460	D	58.2	Low	76.8	Confident	167 Å²	167	72.6 Å²	72.6	89%	0.893	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	137.8	179.2	-75.9	-38.2	0	0	0	111.9	F458	F458-D460 PolarHBondContact O-N 3.39Å
461	G	60.3	Low	76	Confident	72 Å²	72	73.7 Å²	73.7	74%	0.742	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	-10.1	167	0	0	0	0	0	117.2
462	C	61.6	Low	75.2	Confident	61 Å²	61	79.2 Å²	79.2	41%	0.412	42%	0.423	S	S	.	.			trans	-112.8	115.7	178.9	-67.3	0	0	0	0	112.2	H353	H353-C462 PolarHBondContact CE1-O 3.41Å
463	S	69	Low	74.2	Confident	38 Å²	38	81.1 Å²	81.1	27%	0.266	43%	0.432	S	S	.	.			trans	-141.8	144.9	168	80.7	0	0	0	0	111.8	H353 T465 N466 I467	H353-S463 WeakPolarHBondContact NE2-CA 3.11Å; S463-T465 PolarHBondContact O-N 3.08Å; S463-N466 PolarHBondContact O-N 2.72Å; S463-N466 WeakPolarHBondContact OG-CB 3.42Å; S463-N466 PolarHBondContact OG-N 2.81Å; S463-N466 VanDerWaalsContact OG-N 3.1Å; S463-N466 PolarHBondContact OG-ND2 2.88Å; S463-N466 PolarHBondContact OG-OD1 2.89Å; S463-I467 PolarHBondContact O-N 2.72Å
464	T	66.5	Low	72.8	Confident	15 Å²	15	86.1 Å²	86.1	9%	0.092	46%	0.459	C	S	.	.	H	α-helix	trans	-55.4	-37.5	174.7	-52.6	0	0	0	0	111.9	I351 H353 R388 N466 I467 I468	I351-T464 HydrophobicContact CB-CG2 3.77Å; I351-T464 HydrophobicContact CD1-CG2 4.22Å; I351-T464 HydrophobicContact CG1-CG2 4.3Å; I351-T464 PolarHBondContact O-OG1 3.02Å; H353-T464 PolarHBondContact CD2-N 2.84Å; H353-T464 PolarHBondContact NE2-N 3.17Å; R388-T464 VanDerWaalsContact NH2-CG2 3.29Å; T464-N466 VanDerWaalsContact C-N 3.32Å; T464-N466 PolarHBondContact O-N 2.77Å; T464-I467 PolarHBondContact O-N 3.34Å; T464-I468 HydrophobicContact CG2-CD1 3.97Å; T464-I468 HydrophobicContact CG2-CG1 4.39Å; T464-I468 WeakPolarHBondContact O-CG1 3.3Å; T464-I468 PolarHBondContact O-N 3.43Å
465	T	69.7	Low	71.1	Confident	73 Å²	73	91.9 Å²	91.9	45%	0.448	48%	0.481	S	S	.	.	H	α-helix	trans	-61.8	-40.2	176.7	-55.8	0	0	0	0	111.5	S463 K469	S463-T465 PolarHBondContact O-N 3.08Å; T465-K469 HydrophobicContact CG2-CD 4.22Å; T465-K469 WeakPolarHBondContact O-CB 3.29Å; T465-K469 VanDerWaalsContact O-CG 3.28Å; T465-K469 WeakPolarHBondContact O-CG 3.47Å; T465-K469 PolarHBondContact O-N 2.87Å
466	N	73.8	Confident	69.4	Low	86 Å²	86	99.2 Å²	99.2	46%	0.46	51%	0.51	S	S	.	.	H	α-helix	trans	-69.4	-38.5	177	-70.3	-10.7	0	0	0	111.9	S463 T464 K469 K470	S463-N466 PolarHBondContact O-N 2.72Å; S463-N466 WeakPolarHBondContact OG-CB 3.42Å; S463-N466 PolarHBondContact OG-N 2.81Å; S463-N466 VanDerWaalsContact OG-N 3.1Å; S463-N466 PolarHBondContact OG-ND2 2.88Å; S463-N466 PolarHBondContact OG-OD1 2.89Å; T464-N466 VanDerWaalsContact C-N 3.32Å; T464-N466 PolarHBondContact O-N 2.77Å; N466-K469 PolarHBondContact O-N 2.75Å; N466-K470 WeakPolarHBondContact O-CB 3.29Å; N466-K470 PolarHBondContact O-N 2.75Å
467	I	75	Confident	67.3	Low	62 Å²	62	103.5 Å²	103.5	32%	0.318	56%	0.562	S	S	.	*	H	α-helix	trans	-60.9	-48.7	174.6	-64.6	170.8	0	0	0	110.3	H353 S463 T464 K470 I471	H353-I467 HydrophobicContact CB-CD1 3.82Å; S463-I467 PolarHBondContact O-N 2.72Å; T464-I467 PolarHBondContact O-N 3.34Å; I467-K470 PolarHBondContact O-N 3.31Å; I467-I471 HydrophobicContact CG2-CD1 3.96Å; I467-I471 WeakPolarHBondContact O-CG1 3.16Å; I467-I471 PolarHBondContact O-N 3.36Å
468	I	74.5	Confident	67.1	Low	33 Å²	33	101.5 Å²	101.5	17%	0.169	55%	0.552	C	S	.	*	H	α-helix	trans	-64.7	-43.6	178.6	-66.3	173.6	0	0	0	111.2	I351 T464 K470 I471 Q472	I351-I468 HydrophobicContact CD1-CD1 4.2Å; I351-I468 HydrophobicContact CD1-CG1 4.15Å; T464-I468 HydrophobicContact CG2-CD1 3.97Å; T464-I468 HydrophobicContact CG2-CG1 4.39Å; T464-I468 WeakPolarHBondContact O-CG1 3.3Å; T464-I468 PolarHBondContact O-N 3.43Å; I468-K470 VanDerWaalsContact C-N 3.29Å; I468-K470 PolarHBondContact O-N 2.89Å; I468-I471 PolarHBondContact O-N 2.76Å; I468-Q472 HydrophobicContact CG2-CG 4.34Å; I468-Q472 WeakPolarHBondContact O-CG 3.13Å; I468-Q472 PolarHBondContact O-N 3.04Å
469	K	77.9	Confident	67.1	Low	111 Å²	111	101.8 Å²	101.8	48%	0.483	56%	0.559	S	S	.	*	H	α-helix	trans	-58.7	-41.8	175.9	-79.8	178.3	178.8	179.8	0	111.5	T465 N466 Q472 Q473	T465-K469 HydrophobicContact CG2-CD 4.22Å; T465-K469 WeakPolarHBondContact O-CB 3.29Å; T465-K469 VanDerWaalsContact O-CG 3.28Å; T465-K469 WeakPolarHBondContact O-CG 3.47Å; T465-K469 PolarHBondContact O-N 2.87Å; N466-K469 PolarHBondContact O-N 2.75Å; K469-Q472 PolarHBondContact O-N 3.29Å; K469-Q473 WeakPolarHBondContact O-CB 3.31Å; K469-Q473 VanDerWaalsContact O-CG 3.3Å; K469-Q473 WeakPolarHBondContact O-CG 3.41Å; K469-Q473 PolarHBondContact O-N 3.44Å
470	K	78	Confident	67.4	Low	140 Å²	140	101.9 Å²	101.9	61%	0.609	56%	0.564	S	S	*	*	H	α-helix	trans	-62	-47	176.3	-169.4	172.9	-179	179.2	0	111.4	N466 I467 I468 Q472 Q473 D474	N466-K470 WeakPolarHBondContact O-CB 3.29Å; N466-K470 PolarHBondContact O-N 2.75Å; I467-K470 PolarHBondContact O-N 3.31Å; I468-K470 VanDerWaalsContact C-N 3.29Å; I468-K470 PolarHBondContact O-N 2.89Å; K470-Q472 VanDerWaalsContact C-N 3.3Å; K470-Q472 PolarHBondContact O-N 3.47Å; K470-Q473 PolarHBondContact O-N 3.4Å; K470-D474 PolarHBondContact O-N 3.29Å; K470-D474 VanDerWaalsContact O-N 3.08Å
471	I	77.1	Confident	67.9	Low	94 Å²	94	98.1 Å²	98.1	48%	0.482	55%	0.545	S	S	.	.	H	α-helix	trans	-60.3	-38	175.7	-65.3	165.7	0	0	0	111.9	I467 I468	I467-I471 HydrophobicContact CG2-CD1 3.96Å; I467-I471 WeakPolarHBondContact O-CG1 3.16Å; I467-I471 PolarHBondContact O-N 3.36Å; I468-I471 PolarHBondContact O-N 2.76Å
472	Q	77.3	Confident	68.4	Low	126 Å²	126	99.7 Å²	99.7	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-75.7	-31.3	178.9	-72.5	179.4	-10.3	0	0	113.3	I468 K469 K470	I468-Q472 HydrophobicContact CG2-CG 4.34Å; I468-Q472 WeakPolarHBondContact O-CG 3.13Å; I468-Q472 PolarHBondContact O-N 3.04Å; K469-Q472 PolarHBondContact O-N 3.29Å; K470-Q472 VanDerWaalsContact C-N 3.3Å; K470-Q472 PolarHBondContact O-N 3.47Å
473	Q	73.8	Confident	68.8	Low	140 Å²	140	102.3 Å²	102.3	65%	0.654	54%	0.541	S	S	*	.	H	α-helix	trans	-70.7	-38.6	175.7	-76.7	174.3	-9.5	0	0	111.6	K469 K470 K475 K476	K469-Q473 WeakPolarHBondContact O-CB 3.31Å; K469-Q473 VanDerWaalsContact O-CG 3.3Å; K469-Q473 WeakPolarHBondContact O-CG 3.41Å; K469-Q473 PolarHBondContact O-N 3.44Å; K470-Q473 PolarHBondContact O-N 3.4Å; Q473-K475 PolarHBondContact O-N 2.76Å; Q473-K476 PolarHBondContact O-N 3.17Å; Q473-K476 VanDerWaalsContact O-N 3.07Å
474	D	65.3	Low	68.8	Low	116 Å²	116	106.9 Å²	106.9	62%	0.62	56%	0.56	S	S	*	*	H	α-helix	trans	-67.6	-17.6	178.1	-69.7	-16.1	0	0	0	113.2	K470 K476	K470-D474 PolarHBondContact O-N 3.29Å; K470-D474 VanDerWaalsContact O-N 3.08Å; D474-K476 VanDerWaalsContact C-N 3.34Å
475	K	58	Low	69	Low	177 Å²	177	113.9 Å²	113.9	77%	0.77	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-3.1	173	-75.9	-170.1	176.5	-175.9	0	114.4	Q473	Q473-K475 PolarHBondContact O-N 2.76Å
476	K	54.6	Low	69	Low	198 Å²	198	117.3 Å²	117.3	86%	0.861	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	6.4	178.2	-74	-167.7	177.9	-175.3	0	113.9	Q473 D474	Q473-K476 PolarHBondContact O-N 3.17Å; Q473-K476 VanDerWaalsContact O-N 3.07Å; D474-K476 VanDerWaalsContact C-N 3.34Å
477	G	42.2	Very low	68.5	Low	125 Å²	125	120.2 Å²	120.2	100%	1.289	62%	0.622	S	S	*	*			trans	-104.9	0	163.4	0	0	0	0	0	109.9

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